USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 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 104 MET CE :methyl -151:sc= -2.35! (180deg=-4.43!) USER MOD Set 1.2: A 105 THR OG1 : rot -140:sc= -1.58! USER MOD Set 2.1: A 76 TYR OH : rot 130:sc= 0 USER MOD Set 2.2: A 80 MET CE :methyl 167:sc= -1.64 (180deg=-1.7) USER MOD Set 3.1: A 38 SER OG : rot -87:sc= 1.17 USER MOD Set 3.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.0056) USER MOD Single : A 17 ASN : amide:sc= 0.671 K(o=0.67,f=-0.022) USER MOD Single : A 19 THR OG1 : rot 103:sc= 1.14 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0381) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -34:sc= -1.64 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0206 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -6:sc= 0.677 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 54 SER OG : rot -94:sc= 1.16 USER MOD Single : A 56 ASN : amide:sc= -0.684 X(o=-0.68,f=-0.67) USER MOD Single : A 57 TYR OH : rot 52:sc= -0.518 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -45:sc= 0.912 USER MOD Single : A 64 ASN : amide:sc= -0.998 K(o=-1,f=-0.04) USER MOD Single : A 66 ASN : amide:sc= -3.24 K(o=-3.2,f=-8!) USER MOD Single : A 72 ASN : amide:sc= -0.622 X(o=-0.62,f=-0.17) USER MOD Single : A 73 ASN : amide:sc= -0.027 K(o=-0.027,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.4!) USER MOD Single : A 101 LYS NZ :NH3+ -115:sc=-0.00148 (180deg=-0.485) USER MOD Single : A 102 MET CE :methyl -102:sc= -0.19 (180deg=-1.42) USER MOD Single : A 109 CYS SG : rot -82:sc= -1.35 USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 11.833 3.649 7.660 1.00 0.00 N ATOM 93 CA ASP A 10 11.805 4.852 6.837 1.00 0.00 C ATOM 94 C ASP A 10 11.716 4.496 5.356 1.00 0.00 C ATOM 95 O ASP A 10 11.022 5.163 4.587 1.00 0.00 O ATOM 96 CB ASP A 10 13.049 5.703 7.096 1.00 0.00 C ATOM 97 CG ASP A 10 13.106 6.229 8.516 1.00 0.00 C ATOM 98 OD1 ASP A 10 13.408 5.434 9.431 1.00 0.00 O ATOM 99 OD2 ASP A 10 12.849 7.435 8.713 1.00 0.00 O ATOM 0 HA ASP A 10 10.919 5.426 7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.940 5.108 6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.063 6.542 6.400 1.00 0.00 H new ATOM 104 N ILE A 11 12.423 3.441 4.963 1.00 0.00 N ATOM 105 CA ILE A 11 12.424 2.997 3.575 1.00 0.00 C ATOM 106 C ILE A 11 11.015 2.635 3.114 1.00 0.00 C ATOM 107 O ILE A 11 10.717 2.662 1.919 1.00 0.00 O ATOM 108 CB ILE A 11 13.347 1.781 3.373 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.543 1.504 1.881 1.00 0.00 C ATOM 110 CG2 ILE A 11 12.772 0.559 4.074 1.00 0.00 C ATOM 111 CD1 ILE A 11 14.780 0.689 1.576 1.00 0.00 C ATOM 0 H ILE A 11 13.002 2.878 5.586 1.00 0.00 H new ATOM 0 HA ILE A 11 12.798 3.828 2.977 1.00 0.00 H new ATOM 0 HB ILE A 11 14.320 2.004 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.668 0.978 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.602 2.453 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.435 -0.293 3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.679 0.762 5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.789 0.332 3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.855 0.531 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.663 1.223 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.714 -0.275 2.081 1.00 0.00 H new ATOM 123 N ILE A 12 10.154 2.298 4.068 1.00 0.00 N ATOM 124 CA ILE A 12 8.778 1.932 3.759 1.00 0.00 C ATOM 125 C ILE A 12 8.202 2.831 2.669 1.00 0.00 C ATOM 126 O ILE A 12 7.489 2.367 1.780 1.00 0.00 O ATOM 127 CB ILE A 12 7.880 2.018 5.007 1.00 0.00 C ATOM 128 CG1 ILE A 12 8.406 1.093 6.106 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.443 1.664 4.651 1.00 0.00 C ATOM 130 CD1 ILE A 12 7.669 1.235 7.419 1.00 0.00 C ATOM 0 H ILE A 12 10.385 2.271 5.061 1.00 0.00 H new ATOM 0 HA ILE A 12 8.797 0.901 3.405 1.00 0.00 H new ATOM 0 HB ILE A 12 7.900 3.042 5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.331 0.060 5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.464 1.300 6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.820 1.729 5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.073 2.360 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.406 0.649 4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.095 0.549 8.151 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.765 2.259 7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.615 0.999 7.272 1.00 0.00 H new ATOM 142 N VAL A 13 8.518 4.119 2.744 1.00 0.00 N ATOM 143 CA VAL A 13 8.035 5.083 1.762 1.00 0.00 C ATOM 144 C VAL A 13 8.810 4.970 0.454 1.00 0.00 C ATOM 145 O VAL A 13 8.224 4.964 -0.628 1.00 0.00 O ATOM 146 CB VAL A 13 8.148 6.526 2.289 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.677 7.518 1.237 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.354 6.686 3.577 1.00 0.00 C ATOM 0 H VAL A 13 9.106 4.520 3.474 1.00 0.00 H new ATOM 0 HA VAL A 13 6.985 4.851 1.581 1.00 0.00 H new ATOM 0 HB VAL A 13 9.196 6.734 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.764 8.532 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.292 7.420 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.636 7.315 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.445 7.711 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.305 6.459 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.743 6.002 4.331 1.00 0.00 H new ATOM 158 N ASN A 14 10.132 4.880 0.561 1.00 0.00 N ATOM 159 CA ASN A 14 10.988 4.767 -0.614 1.00 0.00 C ATOM 160 C ASN A 14 10.585 3.569 -1.468 1.00 0.00 C ATOM 161 O ASN A 14 10.409 3.689 -2.680 1.00 0.00 O ATOM 162 CB ASN A 14 12.453 4.637 -0.193 1.00 0.00 C ATOM 163 CG ASN A 14 13.149 5.981 -0.097 1.00 0.00 C ATOM 164 OD1 ASN A 14 13.659 6.355 0.958 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.170 6.716 -1.204 1.00 0.00 N ATOM 0 H ASN A 14 10.633 4.883 1.449 1.00 0.00 H new ATOM 0 HA ASN A 14 10.867 5.672 -1.209 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.507 4.133 0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.980 4.009 -0.911 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.622 7.630 -1.201 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.734 6.366 -2.057 1.00 0.00 H new ATOM 172 N TRP A 15 10.439 2.415 -0.827 1.00 0.00 N ATOM 173 CA TRP A 15 10.056 1.195 -1.527 1.00 0.00 C ATOM 174 C TRP A 15 8.763 1.398 -2.308 1.00 0.00 C ATOM 175 O TRP A 15 8.661 1.011 -3.472 1.00 0.00 O ATOM 176 CB TRP A 15 9.890 0.043 -0.534 1.00 0.00 C ATOM 177 CG TRP A 15 9.749 -1.295 -1.195 1.00 0.00 C ATOM 178 CD1 TRP A 15 10.759 -2.097 -1.647 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.528 -1.986 -1.480 1.00 0.00 C ATOM 180 NE1 TRP A 15 10.239 -3.244 -2.195 1.00 0.00 N ATOM 181 CE2 TRP A 15 8.873 -3.201 -2.103 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.178 -1.698 -1.267 1.00 0.00 C ATOM 183 CZ2 TRP A 15 7.916 -4.124 -2.516 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.228 -2.614 -1.677 1.00 0.00 C ATOM 185 CH2 TRP A 15 6.600 -3.815 -2.295 1.00 0.00 C ATOM 0 H TRP A 15 10.580 2.299 0.176 1.00 0.00 H new ATOM 0 HA TRP A 15 10.849 0.947 -2.232 1.00 0.00 H new ATOM 0 HB2 TRP A 15 10.751 0.021 0.134 1.00 0.00 H new ATOM 0 HB3 TRP A 15 9.012 0.229 0.084 1.00 0.00 H new ATOM 0 HD1 TRP A 15 11.811 -1.863 -1.583 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.782 -4.004 -2.604 1.00 0.00 H new ATOM 0 HE3 TRP A 15 6.882 -0.775 -0.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 8.201 -5.050 -2.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.181 -2.400 -1.518 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.834 -4.511 -2.603 1.00 0.00 H new ATOM 196 N VAL A 16 7.776 2.010 -1.662 1.00 0.00 N ATOM 197 CA VAL A 16 6.489 2.266 -2.296 1.00 0.00 C ATOM 198 C VAL A 16 6.649 3.157 -3.524 1.00 0.00 C ATOM 199 O VAL A 16 6.250 2.788 -4.627 1.00 0.00 O ATOM 200 CB VAL A 16 5.502 2.932 -1.318 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.165 3.186 -1.997 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.324 2.074 -0.074 1.00 0.00 C ATOM 0 H VAL A 16 7.844 2.338 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 16 6.089 1.299 -2.601 1.00 0.00 H new ATOM 0 HB VAL A 16 5.914 3.894 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.482 3.657 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.311 3.844 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.743 2.240 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.624 2.560 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.935 1.097 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.286 1.950 0.423 1.00 0.00 H new ATOM 212 N ASN A 17 7.237 4.333 -3.322 1.00 0.00 N ATOM 213 CA ASN A 17 7.451 5.277 -4.413 1.00 0.00 C ATOM 214 C ASN A 17 8.104 4.588 -5.607 1.00 0.00 C ATOM 215 O ASN A 17 7.579 4.623 -6.719 1.00 0.00 O ATOM 216 CB ASN A 17 8.321 6.443 -3.942 1.00 0.00 C ATOM 217 CG ASN A 17 7.527 7.489 -3.183 1.00 0.00 C ATOM 218 OD1 ASN A 17 7.207 8.549 -3.718 1.00 0.00 O ATOM 219 ND2 ASN A 17 7.206 7.192 -1.929 1.00 0.00 N ATOM 0 H ASN A 17 7.573 4.654 -2.414 1.00 0.00 H new ATOM 0 HA ASN A 17 6.480 5.661 -4.725 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.118 6.063 -3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.798 6.908 -4.805 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.672 7.856 -1.368 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.493 6.300 -1.527 1.00 0.00 H new ATOM 226 N GLU A 18 9.253 3.964 -5.368 1.00 0.00 N ATOM 227 CA GLU A 18 9.978 3.269 -6.424 1.00 0.00 C ATOM 228 C GLU A 18 9.108 2.187 -7.061 1.00 0.00 C ATOM 229 O GLU A 18 8.883 2.188 -8.271 1.00 0.00 O ATOM 230 CB GLU A 18 11.260 2.645 -5.869 1.00 0.00 C ATOM 231 CG GLU A 18 12.465 3.570 -5.933 1.00 0.00 C ATOM 232 CD GLU A 18 12.869 3.902 -7.357 1.00 0.00 C ATOM 233 OE1 GLU A 18 12.161 4.702 -8.002 1.00 0.00 O ATOM 234 OE2 GLU A 18 13.893 3.361 -7.824 1.00 0.00 O ATOM 0 H GLU A 18 9.701 3.926 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 18 10.240 3.999 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.092 2.352 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.481 1.735 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.239 4.493 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.305 3.102 -5.420 1.00 0.00 H new ATOM 241 N THR A 19 8.623 1.265 -6.235 1.00 0.00 N ATOM 242 CA THR A 19 7.780 0.177 -6.716 1.00 0.00 C ATOM 243 C THR A 19 6.752 0.681 -7.722 1.00 0.00 C ATOM 244 O THR A 19 6.456 0.011 -8.712 1.00 0.00 O ATOM 245 CB THR A 19 7.046 -0.519 -5.554 1.00 0.00 C ATOM 246 OG1 THR A 19 7.995 -1.056 -4.626 1.00 0.00 O ATOM 247 CG2 THR A 19 6.150 -1.634 -6.072 1.00 0.00 C ATOM 0 H THR A 19 8.799 1.250 -5.230 1.00 0.00 H new ATOM 0 HA THR A 19 8.439 -0.542 -7.204 1.00 0.00 H new ATOM 0 HB THR A 19 6.425 0.222 -5.050 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.051 -0.472 -3.841 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.642 -2.111 -5.234 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.410 -1.218 -6.756 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.755 -2.373 -6.598 1.00 0.00 H new ATOM 255 N LEU A 20 6.211 1.867 -7.465 1.00 0.00 N ATOM 256 CA LEU A 20 5.216 2.462 -8.349 1.00 0.00 C ATOM 257 C LEU A 20 5.882 3.124 -9.551 1.00 0.00 C ATOM 258 O LEU A 20 5.410 2.999 -10.681 1.00 0.00 O ATOM 259 CB LEU A 20 4.377 3.489 -7.587 1.00 0.00 C ATOM 260 CG LEU A 20 3.586 2.956 -6.392 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.299 4.073 -5.400 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.290 2.308 -6.857 1.00 0.00 C ATOM 0 H LEU A 20 6.445 2.435 -6.651 1.00 0.00 H new ATOM 0 HA LEU A 20 4.565 1.666 -8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.039 4.280 -7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.677 3.947 -8.286 1.00 0.00 H new ATOM 0 HG LEU A 20 4.189 2.199 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.735 3.675 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.239 4.493 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.716 4.853 -5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.740 1.934 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.683 3.045 -7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.518 1.480 -7.528 1.00 0.00 H new ATOM 274 N ARG A 21 6.982 3.827 -9.300 1.00 0.00 N ATOM 275 CA ARG A 21 7.713 4.507 -10.361 1.00 0.00 C ATOM 276 C ARG A 21 8.098 3.529 -11.469 1.00 0.00 C ATOM 277 O ARG A 21 7.870 3.795 -12.649 1.00 0.00 O ATOM 278 CB ARG A 21 8.969 5.174 -9.798 1.00 0.00 C ATOM 279 CG ARG A 21 9.460 6.349 -10.627 1.00 0.00 C ATOM 280 CD ARG A 21 8.646 7.604 -10.352 1.00 0.00 C ATOM 281 NE ARG A 21 9.040 8.713 -11.216 1.00 0.00 N ATOM 282 CZ ARG A 21 8.391 9.871 -11.269 1.00 0.00 C ATOM 283 NH1 ARG A 21 7.321 10.070 -10.511 1.00 0.00 N ATOM 284 NH2 ARG A 21 8.812 10.833 -12.081 1.00 0.00 N ATOM 0 H ARG A 21 7.386 3.940 -8.370 1.00 0.00 H new ATOM 0 HA ARG A 21 7.062 5.272 -10.784 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.764 5.517 -8.784 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.764 4.432 -9.729 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.510 6.539 -10.404 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.399 6.099 -11.686 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.588 7.389 -10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.770 7.895 -9.309 1.00 0.00 H new ATOM 0 HE ARG A 21 9.859 8.592 -11.812 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.995 9.333 -9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.824 10.960 -10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.635 10.684 -12.665 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.313 11.722 -12.121 1.00 0.00 H new ATOM 298 N GLU A 22 8.682 2.401 -11.080 1.00 0.00 N ATOM 299 CA GLU A 22 9.098 1.386 -12.040 1.00 0.00 C ATOM 300 C GLU A 22 7.901 0.849 -12.818 1.00 0.00 C ATOM 301 O GLU A 22 8.015 0.505 -13.994 1.00 0.00 O ATOM 302 CB GLU A 22 9.812 0.238 -11.324 1.00 0.00 C ATOM 303 CG GLU A 22 8.874 -0.673 -10.550 1.00 0.00 C ATOM 304 CD GLU A 22 9.535 -1.974 -10.135 1.00 0.00 C ATOM 305 OE1 GLU A 22 10.523 -1.921 -9.373 1.00 0.00 O ATOM 306 OE2 GLU A 22 9.063 -3.044 -10.573 1.00 0.00 O ATOM 0 H GLU A 22 8.878 2.167 -10.107 1.00 0.00 H new ATOM 0 HA GLU A 22 9.788 1.850 -12.745 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.356 -0.355 -12.059 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.551 0.652 -10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.518 -0.151 -9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.000 -0.893 -11.163 1.00 0.00 H new ATOM 313 N ALA A 23 6.752 0.782 -12.153 1.00 0.00 N ATOM 314 CA ALA A 23 5.532 0.289 -12.782 1.00 0.00 C ATOM 315 C ALA A 23 4.842 1.391 -13.579 1.00 0.00 C ATOM 316 O ALA A 23 3.905 1.129 -14.333 1.00 0.00 O ATOM 317 CB ALA A 23 4.589 -0.276 -11.731 1.00 0.00 C ATOM 0 H ALA A 23 6.640 1.063 -11.179 1.00 0.00 H new ATOM 0 HA ALA A 23 5.805 -0.507 -13.475 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.682 -0.640 -12.214 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.077 -1.098 -11.208 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.330 0.505 -11.016 1.00 0.00 H new ATOM 323 N GLU A 24 5.311 2.623 -13.406 1.00 0.00 N ATOM 324 CA GLU A 24 4.735 3.764 -14.109 1.00 0.00 C ATOM 325 C GLU A 24 3.341 4.082 -13.579 1.00 0.00 C ATOM 326 O GLU A 24 2.412 4.327 -14.350 1.00 0.00 O ATOM 327 CB GLU A 24 4.671 3.485 -15.612 1.00 0.00 C ATOM 328 CG GLU A 24 5.969 2.943 -16.186 1.00 0.00 C ATOM 329 CD GLU A 24 6.898 4.040 -16.669 1.00 0.00 C ATOM 330 OE1 GLU A 24 6.931 5.112 -16.032 1.00 0.00 O ATOM 331 OE2 GLU A 24 7.593 3.823 -17.685 1.00 0.00 O ATOM 0 H GLU A 24 6.087 2.856 -12.786 1.00 0.00 H new ATOM 0 HA GLU A 24 5.376 4.628 -13.934 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.871 2.771 -15.807 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.410 4.406 -16.133 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.478 2.350 -15.426 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.743 2.273 -17.015 1.00 0.00 H new ATOM 338 N LYS A 25 3.200 4.076 -12.258 1.00 0.00 N ATOM 339 CA LYS A 25 1.919 4.364 -11.624 1.00 0.00 C ATOM 340 C LYS A 25 1.804 5.846 -11.278 1.00 0.00 C ATOM 341 O LYS A 25 2.774 6.469 -10.847 1.00 0.00 O ATOM 342 CB LYS A 25 1.753 3.521 -10.357 1.00 0.00 C ATOM 343 CG LYS A 25 1.057 2.193 -10.598 1.00 0.00 C ATOM 344 CD LYS A 25 1.684 1.437 -11.758 1.00 0.00 C ATOM 345 CE LYS A 25 0.922 0.158 -12.067 1.00 0.00 C ATOM 346 NZ LYS A 25 -0.387 0.435 -12.721 1.00 0.00 N ATOM 0 H LYS A 25 3.958 3.875 -11.605 1.00 0.00 H new ATOM 0 HA LYS A 25 1.128 4.110 -12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.736 3.334 -9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.185 4.092 -9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.110 1.585 -9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.001 2.367 -10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.701 2.074 -12.642 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.720 1.196 -11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.525 -0.476 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.756 -0.398 -11.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.821 -0.461 -13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.017 0.916 -12.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.238 1.044 -13.551 1.00 0.00 H new ATOM 360 N SER A 26 0.612 6.403 -11.471 1.00 0.00 N ATOM 361 CA SER A 26 0.372 7.812 -11.182 1.00 0.00 C ATOM 362 C SER A 26 0.118 8.026 -9.693 1.00 0.00 C ATOM 363 O SER A 26 -0.232 9.125 -9.263 1.00 0.00 O ATOM 364 CB SER A 26 -0.820 8.324 -11.994 1.00 0.00 C ATOM 365 OG SER A 26 -0.474 8.493 -13.357 1.00 0.00 O ATOM 0 H SER A 26 -0.202 5.900 -11.826 1.00 0.00 H new ATOM 0 HA SER A 26 1.263 8.373 -11.464 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.649 7.622 -11.911 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.164 9.273 -11.582 1.00 0.00 H new ATOM 0 HG SER A 26 -1.253 8.819 -13.854 1.00 0.00 H new ATOM 371 N SER A 27 0.296 6.966 -8.911 1.00 0.00 N ATOM 372 CA SER A 27 0.082 7.035 -7.470 1.00 0.00 C ATOM 373 C SER A 27 1.397 7.288 -6.738 1.00 0.00 C ATOM 374 O SER A 27 2.474 6.987 -7.252 1.00 0.00 O ATOM 375 CB SER A 27 -0.556 5.741 -6.965 1.00 0.00 C ATOM 376 OG SER A 27 0.408 4.707 -6.851 1.00 0.00 O ATOM 0 H SER A 27 0.588 6.050 -9.251 1.00 0.00 H new ATOM 0 HA SER A 27 -0.593 7.866 -7.267 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.022 5.916 -5.995 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.347 5.431 -7.648 1.00 0.00 H new ATOM 0 HG SER A 27 1.077 4.804 -7.560 1.00 0.00 H new ATOM 382 N SER A 28 1.299 7.842 -5.533 1.00 0.00 N ATOM 383 CA SER A 28 2.479 8.138 -4.730 1.00 0.00 C ATOM 384 C SER A 28 2.083 8.630 -3.341 1.00 0.00 C ATOM 385 O SER A 28 0.950 9.064 -3.125 1.00 0.00 O ATOM 386 CB SER A 28 3.346 9.189 -5.427 1.00 0.00 C ATOM 387 OG SER A 28 2.699 10.450 -5.448 1.00 0.00 O ATOM 0 H SER A 28 0.415 8.095 -5.092 1.00 0.00 H new ATOM 0 HA SER A 28 3.053 7.218 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.303 9.276 -4.912 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.561 8.870 -6.447 1.00 0.00 H new ATOM 0 HG SER A 28 3.273 11.105 -5.897 1.00 0.00 H new ATOM 393 N ILE A 29 3.022 8.559 -2.404 1.00 0.00 N ATOM 394 CA ILE A 29 2.771 8.998 -1.038 1.00 0.00 C ATOM 395 C ILE A 29 3.945 9.804 -0.494 1.00 0.00 C ATOM 396 O ILE A 29 5.105 9.437 -0.686 1.00 0.00 O ATOM 397 CB ILE A 29 2.508 7.803 -0.101 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.594 6.739 -0.279 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.132 7.211 -0.372 1.00 0.00 C ATOM 400 CD1 ILE A 29 3.870 5.943 0.977 1.00 0.00 C ATOM 0 H ILE A 29 3.963 8.202 -2.566 1.00 0.00 H new ATOM 0 HA ILE A 29 1.883 9.629 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 29 2.535 8.156 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.296 6.056 -1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.516 7.222 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.960 6.368 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.369 7.971 -0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.080 6.870 -1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.650 5.208 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.199 6.616 1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.960 5.431 1.291 1.00 0.00 H new ATOM 412 N SER A 30 3.637 10.904 0.185 1.00 0.00 N ATOM 413 CA SER A 30 4.668 11.765 0.753 1.00 0.00 C ATOM 414 C SER A 30 5.206 11.181 2.056 1.00 0.00 C ATOM 415 O SER A 30 6.414 11.171 2.292 1.00 0.00 O ATOM 416 CB SER A 30 4.109 13.168 1.004 1.00 0.00 C ATOM 417 OG SER A 30 4.955 13.906 1.868 1.00 0.00 O ATOM 0 H SER A 30 2.682 11.220 0.355 1.00 0.00 H new ATOM 0 HA SER A 30 5.488 11.830 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.002 13.696 0.056 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.113 13.093 1.441 1.00 0.00 H new ATOM 0 HG SER A 30 4.577 14.799 2.012 1.00 0.00 H new ATOM 423 N SER A 31 4.300 10.693 2.897 1.00 0.00 N ATOM 424 CA SER A 31 4.682 10.109 4.178 1.00 0.00 C ATOM 425 C SER A 31 3.515 9.345 4.797 1.00 0.00 C ATOM 426 O SER A 31 2.366 9.498 4.380 1.00 0.00 O ATOM 427 CB SER A 31 5.157 11.201 5.139 1.00 0.00 C ATOM 428 OG SER A 31 5.750 10.638 6.296 1.00 0.00 O ATOM 0 H SER A 31 3.296 10.690 2.715 1.00 0.00 H new ATOM 0 HA SER A 31 5.499 9.409 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.877 11.846 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.314 11.828 5.427 1.00 0.00 H new ATOM 0 HG SER A 31 6.047 11.356 6.894 1.00 0.00 H new ATOM 434 N PHE A 32 3.818 8.521 5.793 1.00 0.00 N ATOM 435 CA PHE A 32 2.796 7.731 6.470 1.00 0.00 C ATOM 436 C PHE A 32 1.548 8.569 6.735 1.00 0.00 C ATOM 437 O PHE A 32 0.448 8.036 6.878 1.00 0.00 O ATOM 438 CB PHE A 32 3.339 7.174 7.787 1.00 0.00 C ATOM 439 CG PHE A 32 4.504 6.243 7.609 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.319 4.972 7.089 1.00 0.00 C ATOM 441 CD2 PHE A 32 5.785 6.638 7.961 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.388 4.113 6.925 1.00 0.00 C ATOM 443 CE2 PHE A 32 6.859 5.783 7.798 1.00 0.00 C ATOM 444 CZ PHE A 32 6.660 4.519 7.279 1.00 0.00 C ATOM 0 H PHE A 32 4.763 8.382 6.150 1.00 0.00 H new ATOM 0 HA PHE A 32 2.524 6.901 5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.642 8.004 8.426 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.539 6.647 8.307 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.327 4.649 6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.946 7.626 8.367 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.229 3.124 6.520 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.852 6.103 8.076 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.497 3.849 7.150 1.00 0.00 H new ATOM 454 N LYS A 33 1.729 9.883 6.801 1.00 0.00 N ATOM 455 CA LYS A 33 0.620 10.797 7.048 1.00 0.00 C ATOM 456 C LYS A 33 0.187 11.489 5.759 1.00 0.00 C ATOM 457 O LYS A 33 -0.056 12.696 5.744 1.00 0.00 O ATOM 458 CB LYS A 33 1.017 11.843 8.092 1.00 0.00 C ATOM 459 CG LYS A 33 0.861 11.361 9.525 1.00 0.00 C ATOM 460 CD LYS A 33 2.119 10.666 10.019 1.00 0.00 C ATOM 461 CE LYS A 33 2.236 10.737 11.534 1.00 0.00 C ATOM 462 NZ LYS A 33 3.598 10.358 12.002 1.00 0.00 N ATOM 0 H LYS A 33 2.634 10.340 6.687 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.220 10.215 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.054 12.134 7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.408 12.736 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.634 12.208 10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.016 10.675 9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.108 9.623 9.702 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.994 11.129 9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.005 11.748 11.869 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.499 10.074 11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.638 10.419 13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.809 9.384 11.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.299 11.006 11.590 1.00 0.00 H new ATOM 476 N ASP A 34 0.092 10.717 4.682 1.00 0.00 N ATOM 477 CA ASP A 34 -0.314 11.256 3.390 1.00 0.00 C ATOM 478 C ASP A 34 -1.816 11.090 3.179 1.00 0.00 C ATOM 479 O ASP A 34 -2.401 10.054 3.496 1.00 0.00 O ATOM 480 CB ASP A 34 0.451 10.563 2.261 1.00 0.00 C ATOM 481 CG ASP A 34 0.448 11.371 0.978 1.00 0.00 C ATOM 482 OD1 ASP A 34 1.017 12.483 0.975 1.00 0.00 O ATOM 483 OD2 ASP A 34 -0.123 10.891 -0.023 1.00 0.00 O ATOM 0 H ASP A 34 0.291 9.717 4.678 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.079 12.320 3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.480 10.391 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.007 9.585 2.072 1.00 0.00 H new ATOM 488 N PRO A 35 -2.456 12.134 2.632 1.00 0.00 N ATOM 489 CA PRO A 35 -3.899 12.128 2.368 1.00 0.00 C ATOM 490 C PRO A 35 -4.276 11.179 1.236 1.00 0.00 C ATOM 491 O PRO A 35 -5.304 10.502 1.295 1.00 0.00 O ATOM 492 CB PRO A 35 -4.192 13.577 1.971 1.00 0.00 C ATOM 493 CG PRO A 35 -2.899 14.094 1.442 1.00 0.00 C ATOM 494 CD PRO A 35 -1.822 13.401 2.230 1.00 0.00 C ATOM 0 HA PRO A 35 -4.471 11.784 3.230 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.978 13.630 1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.531 14.161 2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.801 13.883 0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.834 15.176 1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.930 13.231 1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.515 13.989 3.095 1.00 0.00 H new ATOM 502 N LYS A 36 -3.440 11.131 0.205 1.00 0.00 N ATOM 503 CA LYS A 36 -3.684 10.264 -0.940 1.00 0.00 C ATOM 504 C LYS A 36 -4.037 8.850 -0.487 1.00 0.00 C ATOM 505 O LYS A 36 -4.945 8.223 -1.031 1.00 0.00 O ATOM 506 CB LYS A 36 -2.454 10.226 -1.850 1.00 0.00 C ATOM 507 CG LYS A 36 -2.005 11.598 -2.323 1.00 0.00 C ATOM 508 CD LYS A 36 -3.005 12.209 -3.289 1.00 0.00 C ATOM 509 CE LYS A 36 -2.337 13.204 -4.227 1.00 0.00 C ATOM 510 NZ LYS A 36 -1.875 14.422 -3.506 1.00 0.00 N ATOM 0 H LYS A 36 -2.585 11.684 0.139 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.528 10.670 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.632 9.748 -1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.674 9.605 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.879 12.257 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.032 11.516 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.479 11.419 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.795 12.709 -2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.488 12.728 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.038 13.490 -5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.426 15.075 -4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.689 14.891 -3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.187 14.152 -2.774 1.00 0.00 H new ATOM 524 N ILE A 37 -3.314 8.357 0.513 1.00 0.00 N ATOM 525 CA ILE A 37 -3.553 7.019 1.040 1.00 0.00 C ATOM 526 C ILE A 37 -5.030 6.810 1.359 1.00 0.00 C ATOM 527 O ILE A 37 -5.539 5.692 1.281 1.00 0.00 O ATOM 528 CB ILE A 37 -2.724 6.759 2.312 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.231 6.912 2.014 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.022 5.373 2.863 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.346 6.644 3.211 1.00 0.00 C ATOM 0 H ILE A 37 -2.558 8.864 0.974 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.247 6.315 0.266 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.001 7.495 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.957 6.229 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.043 7.923 1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.429 5.203 3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.082 5.299 3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.769 4.622 2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.699 6.771 2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.592 7.344 4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.506 5.624 3.560 1.00 0.00 H new ATOM 543 N SER A 38 -5.712 7.894 1.715 1.00 0.00 N ATOM 544 CA SER A 38 -7.132 7.829 2.045 1.00 0.00 C ATOM 545 C SER A 38 -7.913 7.116 0.947 1.00 0.00 C ATOM 546 O SER A 38 -8.824 6.334 1.222 1.00 0.00 O ATOM 547 CB SER A 38 -7.693 9.236 2.255 1.00 0.00 C ATOM 548 OG SER A 38 -7.836 9.918 1.021 1.00 0.00 O ATOM 0 H SER A 38 -5.305 8.827 1.782 1.00 0.00 H new ATOM 0 HA SER A 38 -7.239 7.261 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.660 9.174 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.031 9.801 2.911 1.00 0.00 H new ATOM 0 HG SER A 38 -6.997 10.373 0.800 1.00 0.00 H new ATOM 554 N THR A 39 -7.551 7.391 -0.303 1.00 0.00 N ATOM 555 CA THR A 39 -8.219 6.779 -1.445 1.00 0.00 C ATOM 556 C THR A 39 -7.657 5.391 -1.731 1.00 0.00 C ATOM 557 O THR A 39 -8.194 4.650 -2.554 1.00 0.00 O ATOM 558 CB THR A 39 -8.079 7.647 -2.710 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.701 7.958 -2.940 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.879 8.934 -2.573 1.00 0.00 C ATOM 0 H THR A 39 -6.799 8.034 -0.550 1.00 0.00 H new ATOM 0 HA THR A 39 -9.274 6.695 -1.186 1.00 0.00 H new ATOM 0 HB THR A 39 -8.470 7.083 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.162 7.631 -2.190 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.765 9.531 -3.478 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.932 8.694 -2.427 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.513 9.500 -1.716 1.00 0.00 H new ATOM 568 N SER A 40 -6.572 5.044 -1.045 1.00 0.00 N ATOM 569 CA SER A 40 -5.936 3.745 -1.227 1.00 0.00 C ATOM 570 C SER A 40 -5.315 3.634 -2.617 1.00 0.00 C ATOM 571 O SER A 40 -5.169 2.539 -3.159 1.00 0.00 O ATOM 572 CB SER A 40 -6.952 2.621 -1.020 1.00 0.00 C ATOM 573 OG SER A 40 -7.620 2.760 0.223 1.00 0.00 O ATOM 0 H SER A 40 -6.116 5.645 -0.358 1.00 0.00 H new ATOM 0 HA SER A 40 -5.144 3.650 -0.484 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.680 2.631 -1.831 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.445 1.657 -1.058 1.00 0.00 H new ATOM 0 HG SER A 40 -8.265 2.030 0.331 1.00 0.00 H new ATOM 579 N LEU A 41 -4.952 4.778 -3.188 1.00 0.00 N ATOM 580 CA LEU A 41 -4.346 4.812 -4.514 1.00 0.00 C ATOM 581 C LEU A 41 -2.952 4.195 -4.493 1.00 0.00 C ATOM 582 O LEU A 41 -2.633 3.293 -5.268 1.00 0.00 O ATOM 583 CB LEU A 41 -4.272 6.252 -5.027 1.00 0.00 C ATOM 584 CG LEU A 41 -5.532 6.788 -5.706 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.340 8.240 -6.116 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.891 5.934 -6.914 1.00 0.00 C ATOM 0 H LEU A 41 -5.067 5.694 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.972 4.225 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.031 6.904 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.445 6.323 -5.733 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.355 6.738 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.247 8.605 -6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.131 8.843 -5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.504 8.314 -6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.791 6.330 -7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.069 5.952 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.071 4.908 -6.594 1.00 0.00 H new ATOM 598 N PRO A 42 -2.100 4.689 -3.583 1.00 0.00 N ATOM 599 CA PRO A 42 -0.726 4.199 -3.436 1.00 0.00 C ATOM 600 C PRO A 42 -0.672 2.788 -2.863 1.00 0.00 C ATOM 601 O PRO A 42 0.273 2.040 -3.114 1.00 0.00 O ATOM 602 CB PRO A 42 -0.096 5.197 -2.461 1.00 0.00 C ATOM 603 CG PRO A 42 -1.243 5.741 -1.680 1.00 0.00 C ATOM 604 CD PRO A 42 -2.412 5.765 -2.626 1.00 0.00 C ATOM 0 HA PRO A 42 -0.211 4.136 -4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.630 4.710 -1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.432 5.989 -2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.456 5.117 -0.812 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.022 6.741 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.353 5.581 -2.107 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.506 6.730 -3.124 1.00 0.00 H new ATOM 612 N VAL A 43 -1.693 2.428 -2.091 1.00 0.00 N ATOM 613 CA VAL A 43 -1.762 1.105 -1.483 1.00 0.00 C ATOM 614 C VAL A 43 -2.255 0.065 -2.484 1.00 0.00 C ATOM 615 O VAL A 43 -1.780 -1.070 -2.502 1.00 0.00 O ATOM 616 CB VAL A 43 -2.691 1.099 -0.255 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.537 -0.198 0.525 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.407 2.301 0.632 1.00 0.00 C ATOM 0 H VAL A 43 -2.483 3.034 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.751 0.850 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.723 1.166 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.201 -0.184 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.794 -1.041 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.505 -0.300 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.072 2.281 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.372 2.267 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.573 3.218 0.067 1.00 0.00 H new ATOM 628 N LEU A 44 -3.212 0.461 -3.316 1.00 0.00 N ATOM 629 CA LEU A 44 -3.770 -0.436 -4.323 1.00 0.00 C ATOM 630 C LEU A 44 -2.806 -0.611 -5.491 1.00 0.00 C ATOM 631 O LEU A 44 -2.562 -1.729 -5.945 1.00 0.00 O ATOM 632 CB LEU A 44 -5.110 0.104 -4.828 1.00 0.00 C ATOM 633 CG LEU A 44 -6.284 0.007 -3.853 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.370 1.004 -4.225 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.841 -1.409 -3.829 1.00 0.00 C ATOM 0 H LEU A 44 -3.618 1.397 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.929 -1.410 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.977 1.151 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.375 -0.433 -5.739 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.924 0.251 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.197 0.921 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.964 2.015 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.729 0.792 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.676 -1.460 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.186 -1.681 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.061 -2.102 -3.513 1.00 0.00 H new ATOM 647 N ASP A 45 -2.260 0.500 -5.972 1.00 0.00 N ATOM 648 CA ASP A 45 -1.318 0.469 -7.086 1.00 0.00 C ATOM 649 C ASP A 45 -0.046 -0.280 -6.701 1.00 0.00 C ATOM 650 O ASP A 45 0.520 -1.017 -7.509 1.00 0.00 O ATOM 651 CB ASP A 45 -0.974 1.891 -7.530 1.00 0.00 C ATOM 652 CG ASP A 45 -1.920 2.410 -8.596 1.00 0.00 C ATOM 653 OD1 ASP A 45 -2.518 1.580 -9.312 1.00 0.00 O ATOM 654 OD2 ASP A 45 -2.060 3.646 -8.714 1.00 0.00 O ATOM 0 H ASP A 45 -2.453 1.433 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.790 -0.057 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.005 2.555 -6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.046 1.912 -7.912 1.00 0.00 H new ATOM 659 N LEU A 46 0.398 -0.084 -5.465 1.00 0.00 N ATOM 660 CA LEU A 46 1.605 -0.740 -4.974 1.00 0.00 C ATOM 661 C LEU A 46 1.479 -2.257 -5.073 1.00 0.00 C ATOM 662 O LEU A 46 2.454 -2.952 -5.364 1.00 0.00 O ATOM 663 CB LEU A 46 1.875 -0.335 -3.524 1.00 0.00 C ATOM 664 CG LEU A 46 2.863 -1.212 -2.754 1.00 0.00 C ATOM 665 CD1 LEU A 46 4.194 -1.284 -3.485 1.00 0.00 C ATOM 666 CD2 LEU A 46 3.056 -0.684 -1.340 1.00 0.00 C ATOM 0 H LEU A 46 -0.059 0.523 -4.785 1.00 0.00 H new ATOM 0 HA LEU A 46 2.441 -0.421 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.248 0.689 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.927 -0.332 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 46 2.452 -2.220 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.885 -1.912 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.042 -1.710 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.611 -0.282 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.762 -1.321 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.445 0.334 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.100 -0.686 -0.817 1.00 0.00 H new ATOM 678 N ILE A 47 0.274 -2.763 -4.835 1.00 0.00 N ATOM 679 CA ILE A 47 0.021 -4.198 -4.902 1.00 0.00 C ATOM 680 C ILE A 47 0.113 -4.705 -6.336 1.00 0.00 C ATOM 681 O ILE A 47 0.797 -5.691 -6.615 1.00 0.00 O ATOM 682 CB ILE A 47 -1.364 -4.552 -4.331 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.470 -4.101 -2.872 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.619 -6.047 -4.447 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.895 -3.942 -2.391 1.00 0.00 C ATOM 0 H ILE A 47 -0.543 -2.201 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 47 0.788 -4.683 -4.298 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.123 -4.027 -4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.960 -4.826 -2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.947 -3.152 -2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.602 -6.281 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.582 -6.342 -5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.856 -6.591 -3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.894 -3.621 -1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.404 -3.195 -3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.416 -4.896 -2.476 1.00 0.00 H new ATOM 697 N ASP A 48 -0.579 -4.026 -7.244 1.00 0.00 N ATOM 698 CA ASP A 48 -0.575 -4.406 -8.652 1.00 0.00 C ATOM 699 C ASP A 48 0.850 -4.448 -9.199 1.00 0.00 C ATOM 700 O ASP A 48 1.238 -5.402 -9.870 1.00 0.00 O ATOM 701 CB ASP A 48 -1.419 -3.428 -9.470 1.00 0.00 C ATOM 702 CG ASP A 48 -0.605 -2.264 -10.002 1.00 0.00 C ATOM 703 OD1 ASP A 48 0.307 -2.504 -10.821 1.00 0.00 O ATOM 704 OD2 ASP A 48 -0.879 -1.115 -9.600 1.00 0.00 O ATOM 0 H ASP A 48 -1.151 -3.209 -7.030 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.007 -5.403 -8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.877 -3.958 -10.305 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.231 -3.047 -8.850 1.00 0.00 H new ATOM 709 N ALA A 49 1.621 -3.407 -8.905 1.00 0.00 N ATOM 710 CA ALA A 49 3.002 -3.325 -9.367 1.00 0.00 C ATOM 711 C ALA A 49 3.677 -4.692 -9.320 1.00 0.00 C ATOM 712 O ALA A 49 4.355 -5.092 -10.266 1.00 0.00 O ATOM 713 CB ALA A 49 3.779 -2.321 -8.530 1.00 0.00 C ATOM 0 H ALA A 49 1.314 -2.609 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 49 2.994 -2.988 -10.403 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.808 -2.270 -8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.316 -1.338 -8.618 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.771 -2.634 -7.486 1.00 0.00 H new ATOM 719 N ILE A 50 3.489 -5.401 -8.213 1.00 0.00 N ATOM 720 CA ILE A 50 4.081 -6.723 -8.043 1.00 0.00 C ATOM 721 C ILE A 50 3.269 -7.787 -8.774 1.00 0.00 C ATOM 722 O ILE A 50 3.784 -8.484 -9.647 1.00 0.00 O ATOM 723 CB ILE A 50 4.187 -7.106 -6.556 1.00 0.00 C ATOM 724 CG1 ILE A 50 4.920 -6.013 -5.776 1.00 0.00 C ATOM 725 CG2 ILE A 50 4.899 -8.442 -6.402 1.00 0.00 C ATOM 726 CD1 ILE A 50 4.879 -6.208 -4.277 1.00 0.00 C ATOM 0 H ILE A 50 2.932 -5.083 -7.420 1.00 0.00 H new ATOM 0 HA ILE A 50 5.083 -6.677 -8.470 1.00 0.00 H new ATOM 0 HB ILE A 50 3.181 -7.204 -6.149 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.960 -5.981 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.480 -5.046 -6.020 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.966 -8.699 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.340 -9.215 -6.929 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.902 -8.370 -6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.419 -5.396 -3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.843 -6.210 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.346 -7.159 -4.021 1.00 0.00 H new ATOM 738 N GLN A 51 1.996 -7.904 -8.412 1.00 0.00 N ATOM 739 CA GLN A 51 1.111 -8.882 -9.033 1.00 0.00 C ATOM 740 C GLN A 51 0.099 -8.198 -9.947 1.00 0.00 C ATOM 741 O GLN A 51 -0.951 -7.728 -9.508 1.00 0.00 O ATOM 742 CB GLN A 51 0.381 -9.695 -7.963 1.00 0.00 C ATOM 743 CG GLN A 51 -0.338 -10.917 -8.512 1.00 0.00 C ATOM 744 CD GLN A 51 0.584 -12.108 -8.683 1.00 0.00 C ATOM 745 OE1 GLN A 51 1.395 -12.153 -9.609 1.00 0.00 O ATOM 746 NE2 GLN A 51 0.465 -13.082 -7.789 1.00 0.00 N ATOM 0 H GLN A 51 1.554 -7.333 -7.691 1.00 0.00 H new ATOM 0 HA GLN A 51 1.722 -9.554 -9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.100 -10.015 -7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.343 -9.053 -7.461 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.153 -11.187 -7.840 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.787 -10.668 -9.474 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.220 -13.004 -7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.059 -13.909 -7.853 1.00 0.00 H new ATOM 755 N PRO A 52 0.421 -8.138 -11.248 1.00 0.00 N ATOM 756 CA PRO A 52 -0.447 -7.513 -12.251 1.00 0.00 C ATOM 757 C PRO A 52 -1.718 -8.319 -12.501 1.00 0.00 C ATOM 758 O PRO A 52 -1.686 -9.549 -12.541 1.00 0.00 O ATOM 759 CB PRO A 52 0.424 -7.486 -13.508 1.00 0.00 C ATOM 760 CG PRO A 52 1.396 -8.600 -13.319 1.00 0.00 C ATOM 761 CD PRO A 52 1.656 -8.677 -11.840 1.00 0.00 C ATOM 0 HA PRO A 52 -0.792 -6.529 -11.934 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.174 -7.631 -14.408 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.935 -6.529 -13.616 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.990 -9.540 -13.693 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.318 -8.410 -13.868 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.842 -9.701 -11.518 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.528 -8.089 -11.554 1.00 0.00 H new ATOM 769 N GLY A 53 -2.835 -7.618 -12.668 1.00 0.00 N ATOM 770 CA GLY A 53 -4.100 -8.286 -12.912 1.00 0.00 C ATOM 771 C GLY A 53 -4.997 -8.294 -11.690 1.00 0.00 C ATOM 772 O GLY A 53 -6.222 -8.244 -11.810 1.00 0.00 O ATOM 0 H GLY A 53 -2.887 -6.600 -12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.616 -7.791 -13.734 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.911 -9.312 -13.227 1.00 0.00 H new ATOM 776 N SER A 54 -4.387 -8.358 -10.511 1.00 0.00 N ATOM 777 CA SER A 54 -5.139 -8.378 -9.262 1.00 0.00 C ATOM 778 C SER A 54 -6.036 -7.148 -9.148 1.00 0.00 C ATOM 779 O SER A 54 -7.258 -7.265 -9.045 1.00 0.00 O ATOM 780 CB SER A 54 -4.185 -8.439 -8.068 1.00 0.00 C ATOM 781 OG SER A 54 -3.237 -7.387 -8.118 1.00 0.00 O ATOM 0 H SER A 54 -3.374 -8.397 -10.394 1.00 0.00 H new ATOM 0 HA SER A 54 -5.769 -9.268 -9.260 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.754 -8.376 -7.140 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.668 -9.399 -8.060 1.00 0.00 H new ATOM 0 HG SER A 54 -2.421 -7.702 -8.561 1.00 0.00 H new ATOM 787 N ILE A 55 -5.420 -5.971 -9.166 1.00 0.00 N ATOM 788 CA ILE A 55 -6.161 -4.720 -9.066 1.00 0.00 C ATOM 789 C ILE A 55 -6.699 -4.290 -10.426 1.00 0.00 C ATOM 790 O ILE A 55 -6.030 -4.447 -11.447 1.00 0.00 O ATOM 791 CB ILE A 55 -5.286 -3.591 -8.491 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.538 -4.079 -7.248 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.139 -2.376 -8.159 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.452 -4.507 -6.121 1.00 0.00 C ATOM 0 H ILE A 55 -4.410 -5.858 -9.249 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.996 -4.901 -8.389 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.553 -3.301 -9.243 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.899 -4.917 -7.525 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.884 -3.283 -6.892 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.506 -1.587 -7.754 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.630 -2.018 -9.064 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.893 -2.651 -7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.853 -4.841 -5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.074 -3.665 -5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.089 -5.324 -6.459 1.00 0.00 H new ATOM 806 N ASN A 56 -7.910 -3.741 -10.431 1.00 0.00 N ATOM 807 CA ASN A 56 -8.538 -3.286 -11.667 1.00 0.00 C ATOM 808 C ASN A 56 -9.263 -1.961 -11.451 1.00 0.00 C ATOM 809 O ASN A 56 -10.339 -1.921 -10.854 1.00 0.00 O ATOM 810 CB ASN A 56 -9.518 -4.340 -12.185 1.00 0.00 C ATOM 811 CG ASN A 56 -9.750 -4.229 -13.679 1.00 0.00 C ATOM 812 OD1 ASN A 56 -8.814 -4.012 -14.450 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.002 -4.376 -14.096 1.00 0.00 N ATOM 0 H ASN A 56 -8.476 -3.601 -9.594 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.755 -3.135 -12.410 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.135 -5.334 -11.952 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.469 -4.235 -11.664 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.219 -4.310 -15.090 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.746 -4.555 -13.422 1.00 0.00 H new ATOM 820 N TYR A 57 -8.668 -0.880 -11.943 1.00 0.00 N ATOM 821 CA TYR A 57 -9.257 0.446 -11.803 1.00 0.00 C ATOM 822 C TYR A 57 -10.723 0.438 -12.225 1.00 0.00 C ATOM 823 O TYR A 57 -11.564 1.084 -11.599 1.00 0.00 O ATOM 824 CB TYR A 57 -8.480 1.463 -12.640 1.00 0.00 C ATOM 825 CG TYR A 57 -7.345 2.124 -11.889 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.452 1.370 -11.137 1.00 0.00 C ATOM 827 CD2 TYR A 57 -7.166 3.501 -11.933 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.415 1.969 -10.449 1.00 0.00 C ATOM 829 CE2 TYR A 57 -6.130 4.108 -11.249 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.257 3.338 -10.509 1.00 0.00 C ATOM 831 OH TYR A 57 -4.225 3.939 -9.826 1.00 0.00 O ATOM 0 H TYR A 57 -7.779 -0.896 -12.442 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.201 0.731 -10.752 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.079 0.964 -13.522 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.167 2.232 -12.993 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.571 0.298 -11.090 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.848 4.107 -12.511 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.731 1.369 -9.867 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.005 5.180 -11.294 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.380 3.498 -10.056 1.00 0.00 H new ATOM 841 N ASP A 58 -11.022 -0.297 -13.290 1.00 0.00 N ATOM 842 CA ASP A 58 -12.386 -0.392 -13.796 1.00 0.00 C ATOM 843 C ASP A 58 -13.373 -0.631 -12.657 1.00 0.00 C ATOM 844 O ASP A 58 -14.461 -0.056 -12.633 1.00 0.00 O ATOM 845 CB ASP A 58 -12.495 -1.517 -14.826 1.00 0.00 C ATOM 846 CG ASP A 58 -13.559 -1.246 -15.870 1.00 0.00 C ATOM 847 OD1 ASP A 58 -14.516 -0.504 -15.564 1.00 0.00 O ATOM 848 OD2 ASP A 58 -13.435 -1.775 -16.994 1.00 0.00 O ATOM 0 H ASP A 58 -10.337 -0.836 -13.820 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.635 0.554 -14.276 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.532 -1.649 -15.319 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.722 -2.453 -14.315 1.00 0.00 H new ATOM 853 N LEU A 59 -12.985 -1.485 -11.716 1.00 0.00 N ATOM 854 CA LEU A 59 -13.836 -1.802 -10.573 1.00 0.00 C ATOM 855 C LEU A 59 -13.686 -0.755 -9.475 1.00 0.00 C ATOM 856 O LEU A 59 -14.651 -0.416 -8.789 1.00 0.00 O ATOM 857 CB LEU A 59 -13.490 -3.187 -10.024 1.00 0.00 C ATOM 858 CG LEU A 59 -13.324 -4.299 -11.061 1.00 0.00 C ATOM 859 CD1 LEU A 59 -12.882 -5.591 -10.392 1.00 0.00 C ATOM 860 CD2 LEU A 59 -14.621 -4.510 -11.829 1.00 0.00 C ATOM 0 H LEU A 59 -12.088 -1.970 -11.721 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.872 -1.800 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.564 -3.109 -9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.271 -3.484 -9.324 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.551 -3.998 -11.768 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.769 -6.371 -11.145 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.928 -5.432 -9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -13.631 -5.898 -9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.484 -5.305 -12.562 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.414 -4.789 -11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -14.895 -3.587 -12.341 1.00 0.00 H new ATOM 872 N LEU A 60 -12.471 -0.244 -9.314 1.00 0.00 N ATOM 873 CA LEU A 60 -12.194 0.768 -8.300 1.00 0.00 C ATOM 874 C LEU A 60 -13.007 2.032 -8.556 1.00 0.00 C ATOM 875 O LEU A 60 -13.654 2.169 -9.595 1.00 0.00 O ATOM 876 CB LEU A 60 -10.701 1.102 -8.280 1.00 0.00 C ATOM 877 CG LEU A 60 -9.746 -0.089 -8.191 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.301 0.381 -8.231 1.00 0.00 C ATOM 879 CD2 LEU A 60 -10.014 -0.892 -6.927 1.00 0.00 C ATOM 0 H LEU A 60 -11.661 -0.514 -9.873 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.483 0.364 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.463 1.665 -9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.508 1.760 -7.433 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.919 -0.735 -9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.636 -0.480 -8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.117 0.912 -9.165 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.112 1.049 -7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.326 -1.736 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.869 -0.256 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.040 -1.261 -6.941 1.00 0.00 H new ATOM 891 N LYS A 61 -12.969 2.957 -7.603 1.00 0.00 N ATOM 892 CA LYS A 61 -13.700 4.213 -7.725 1.00 0.00 C ATOM 893 C LYS A 61 -12.783 5.329 -8.219 1.00 0.00 C ATOM 894 O LYS A 61 -12.969 5.860 -9.314 1.00 0.00 O ATOM 895 CB LYS A 61 -14.315 4.602 -6.379 1.00 0.00 C ATOM 896 CG LYS A 61 -15.721 4.065 -6.176 1.00 0.00 C ATOM 897 CD LYS A 61 -15.706 2.698 -5.512 1.00 0.00 C ATOM 898 CE LYS A 61 -15.667 1.579 -6.541 1.00 0.00 C ATOM 899 NZ LYS A 61 -17.018 1.290 -7.097 1.00 0.00 N ATOM 0 H LYS A 61 -12.439 2.860 -6.737 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.498 4.072 -8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.675 4.234 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.335 5.689 -6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.293 4.762 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.228 3.997 -7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.839 2.621 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -16.591 2.587 -4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.992 1.854 -7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.263 0.677 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.949 0.522 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.656 1.003 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.394 2.143 -7.558 1.00 0.00 H new ATOM 913 N THR A 62 -11.793 5.680 -7.403 1.00 0.00 N ATOM 914 CA THR A 62 -10.848 6.732 -7.757 1.00 0.00 C ATOM 915 C THR A 62 -11.565 7.930 -8.367 1.00 0.00 C ATOM 916 O THR A 62 -11.022 8.613 -9.236 1.00 0.00 O ATOM 917 CB THR A 62 -9.786 6.222 -8.749 1.00 0.00 C ATOM 918 OG1 THR A 62 -8.803 7.238 -8.978 1.00 0.00 O ATOM 919 CG2 THR A 62 -10.426 5.823 -10.070 1.00 0.00 C ATOM 0 H THR A 62 -11.625 5.251 -6.493 1.00 0.00 H new ATOM 0 HA THR A 62 -10.354 7.039 -6.835 1.00 0.00 H new ATOM 0 HB THR A 62 -9.308 5.344 -8.315 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.249 8.099 -9.122 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.656 5.466 -10.754 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.154 5.030 -9.897 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.928 6.687 -10.507 1.00 0.00 H new ATOM 927 N GLU A 63 -12.786 8.183 -7.908 1.00 0.00 N ATOM 928 CA GLU A 63 -13.576 9.301 -8.410 1.00 0.00 C ATOM 929 C GLU A 63 -14.324 9.993 -7.273 1.00 0.00 C ATOM 930 O GLU A 63 -15.300 9.463 -6.745 1.00 0.00 O ATOM 931 CB GLU A 63 -14.568 8.818 -9.468 1.00 0.00 C ATOM 932 CG GLU A 63 -15.539 7.765 -8.958 1.00 0.00 C ATOM 933 CD GLU A 63 -16.123 6.920 -10.073 1.00 0.00 C ATOM 934 OE1 GLU A 63 -15.341 6.278 -10.804 1.00 0.00 O ATOM 935 OE2 GLU A 63 -17.364 6.901 -10.215 1.00 0.00 O ATOM 0 H GLU A 63 -13.250 7.628 -7.189 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.894 10.020 -8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.134 9.672 -9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.014 8.410 -10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.026 7.117 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.348 8.255 -8.416 1.00 0.00 H new ATOM 942 N ASN A 64 -13.856 11.181 -6.903 1.00 0.00 N ATOM 943 CA ASN A 64 -14.479 11.946 -5.830 1.00 0.00 C ATOM 944 C ASN A 64 -14.928 11.028 -4.696 1.00 0.00 C ATOM 945 O ASN A 64 -16.052 11.137 -4.203 1.00 0.00 O ATOM 946 CB ASN A 64 -15.676 12.736 -6.365 1.00 0.00 C ATOM 947 CG ASN A 64 -15.445 13.249 -7.773 1.00 0.00 C ATOM 948 OD1 ASN A 64 -15.114 14.418 -7.974 1.00 0.00 O ATOM 949 ND2 ASN A 64 -15.620 12.375 -8.758 1.00 0.00 N ATOM 0 H ASN A 64 -13.048 11.634 -7.330 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.738 12.643 -5.438 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.562 12.101 -6.353 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.878 13.578 -5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.480 12.663 -9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.895 11.416 -8.546 1.00 0.00 H new ATOM 956 N LEU A 65 -14.043 10.126 -4.288 1.00 0.00 N ATOM 957 CA LEU A 65 -14.347 9.188 -3.213 1.00 0.00 C ATOM 958 C LEU A 65 -14.915 9.917 -2.000 1.00 0.00 C ATOM 959 O LEU A 65 -14.971 11.146 -1.972 1.00 0.00 O ATOM 960 CB LEU A 65 -13.090 8.412 -2.815 1.00 0.00 C ATOM 961 CG LEU A 65 -12.647 7.311 -3.779 1.00 0.00 C ATOM 962 CD1 LEU A 65 -11.137 7.137 -3.734 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.347 6.001 -3.449 1.00 0.00 C ATOM 0 H LEU A 65 -13.109 10.024 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 65 -15.098 8.487 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.270 9.121 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.259 7.964 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.927 7.605 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.841 6.349 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.654 8.072 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.832 6.865 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.020 5.228 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.098 5.702 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.426 6.133 -3.534 1.00 0.00 H new ATOM 975 N ASN A 66 -15.331 9.151 -0.996 1.00 0.00 N ATOM 976 CA ASN A 66 -15.891 9.724 0.222 1.00 0.00 C ATOM 977 C ASN A 66 -15.894 8.701 1.353 1.00 0.00 C ATOM 978 O ASN A 66 -15.691 7.507 1.126 1.00 0.00 O ATOM 979 CB ASN A 66 -17.315 10.222 -0.033 1.00 0.00 C ATOM 980 CG ASN A 66 -18.349 9.122 0.115 1.00 0.00 C ATOM 981 OD1 ASN A 66 -19.020 9.020 1.141 1.00 0.00 O ATOM 982 ND2 ASN A 66 -18.479 8.290 -0.912 1.00 0.00 N ATOM 0 H ASN A 66 -15.291 8.132 -1.003 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.266 10.566 0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -17.545 11.029 0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.376 10.641 -1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.157 7.529 -0.869 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.901 8.412 -1.744 1.00 0.00 H new ATOM 989 N ASP A 67 -16.125 9.176 2.572 1.00 0.00 N ATOM 990 CA ASP A 67 -16.156 8.303 3.739 1.00 0.00 C ATOM 991 C ASP A 67 -16.738 6.939 3.383 1.00 0.00 C ATOM 992 O ASP A 67 -16.281 5.909 3.879 1.00 0.00 O ATOM 993 CB ASP A 67 -16.975 8.944 4.861 1.00 0.00 C ATOM 994 CG ASP A 67 -17.168 8.013 6.042 1.00 0.00 C ATOM 995 OD1 ASP A 67 -18.146 7.236 6.031 1.00 0.00 O ATOM 996 OD2 ASP A 67 -16.342 8.061 6.978 1.00 0.00 O ATOM 0 H ASP A 67 -16.293 10.161 2.777 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.131 8.162 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -16.476 9.853 5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -17.949 9.240 4.472 1.00 0.00 H new ATOM 1001 N ASP A 68 -17.749 6.940 2.523 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.395 5.702 2.100 1.00 0.00 C ATOM 1003 C ASP A 68 -17.498 4.920 1.146 1.00 0.00 C ATOM 1004 O ASP A 68 -16.955 3.876 1.507 1.00 0.00 O ATOM 1005 CB ASP A 68 -19.735 6.005 1.426 1.00 0.00 C ATOM 1006 CG ASP A 68 -20.866 6.144 2.426 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -20.619 6.660 3.535 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -22.000 5.738 2.096 1.00 0.00 O ATOM 0 H ASP A 68 -18.140 7.784 2.104 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.572 5.093 2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.649 6.926 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.973 5.208 0.721 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.348 5.431 -0.072 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.518 4.779 -1.077 1.00 0.00 C ATOM 1015 C GLU A 69 -15.151 4.415 -0.502 1.00 0.00 C ATOM 1016 O GLU A 69 -14.726 3.262 -0.564 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.345 5.687 -2.296 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.658 6.102 -2.937 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.113 5.136 -4.013 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -18.172 3.921 -3.732 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.411 5.594 -5.136 1.00 0.00 O ATOM 0 H GLU A 69 -17.791 6.295 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.020 3.862 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.797 6.581 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.735 5.172 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.427 6.172 -2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.548 7.096 -3.370 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.469 5.408 0.057 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.151 5.196 0.644 1.00 0.00 C ATOM 1030 C LYS A 70 -13.113 3.893 1.437 1.00 0.00 C ATOM 1031 O LYS A 70 -12.202 3.080 1.270 1.00 0.00 O ATOM 1032 CB LYS A 70 -12.779 6.370 1.552 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.583 7.678 0.807 1.00 0.00 C ATOM 1034 CD LYS A 70 -11.611 8.593 1.532 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.397 9.894 0.773 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.065 11.022 1.686 1.00 0.00 N ATOM 0 H LYS A 70 -14.807 6.369 0.116 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.426 5.129 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.561 6.502 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.862 6.127 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.211 7.474 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.543 8.181 0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.991 8.811 2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.656 8.083 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.592 9.764 0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.297 10.137 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.927 11.890 1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.844 11.163 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.192 10.802 2.206 1.00 0.00 H new ATOM 1050 N LEU A 71 -14.105 3.700 2.298 1.00 0.00 N ATOM 1051 CA LEU A 71 -14.186 2.494 3.116 1.00 0.00 C ATOM 1052 C LEU A 71 -14.168 1.243 2.244 1.00 0.00 C ATOM 1053 O LEU A 71 -13.351 0.346 2.445 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.455 2.518 3.969 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.797 1.217 4.698 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.731 0.889 5.732 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -17.166 1.319 5.353 1.00 0.00 C ATOM 0 H LEU A 71 -14.865 4.363 2.449 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.316 2.469 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.356 3.311 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.295 2.784 3.328 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.825 0.409 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.991 -0.039 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.767 0.774 5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.670 1.697 6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.394 0.385 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -17.165 2.138 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.921 1.507 4.590 1.00 0.00 H new ATOM 1069 N ASN A 72 -15.074 1.192 1.272 1.00 0.00 N ATOM 1070 CA ASN A 72 -15.162 0.051 0.368 1.00 0.00 C ATOM 1071 C ASN A 72 -13.800 -0.267 -0.240 1.00 0.00 C ATOM 1072 O ASN A 72 -13.445 -1.431 -0.419 1.00 0.00 O ATOM 1073 CB ASN A 72 -16.176 0.331 -0.742 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.581 0.534 -0.205 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -18.371 -0.407 -0.132 1.00 0.00 O ATOM 1076 ND2 ASN A 72 -17.896 1.767 0.173 1.00 0.00 N ATOM 0 H ASN A 72 -15.757 1.927 1.091 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.493 -0.813 0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.869 1.219 -1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.176 -0.500 -1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.826 1.965 0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.208 2.516 0.094 1.00 0.00 H new ATOM 1083 N ASN A 73 -13.041 0.777 -0.556 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.717 0.610 -1.144 1.00 0.00 C ATOM 1085 C ASN A 73 -10.718 0.111 -0.104 1.00 0.00 C ATOM 1086 O ASN A 73 -9.801 -0.646 -0.422 1.00 0.00 O ATOM 1087 CB ASN A 73 -11.230 1.932 -1.740 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.765 2.167 -3.140 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.620 1.423 -3.622 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.263 3.204 -3.799 1.00 0.00 N ATOM 0 H ASN A 73 -13.320 1.748 -0.415 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.791 -0.134 -1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.538 2.754 -1.094 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.140 1.937 -1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.584 3.411 -4.745 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.556 3.794 -3.360 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.905 0.538 1.141 1.00 0.00 N ATOM 1098 CA ALA A 74 -10.023 0.133 2.228 1.00 0.00 C ATOM 1099 C ALA A 74 -10.127 -1.367 2.489 1.00 0.00 C ATOM 1100 O ALA A 74 -9.116 -2.065 2.565 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.349 0.915 3.491 1.00 0.00 C ATOM 0 H ALA A 74 -11.660 1.164 1.421 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.997 0.353 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.683 0.602 4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.216 1.981 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.382 0.723 3.781 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.355 -1.855 2.627 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.593 -3.271 2.879 1.00 0.00 C ATOM 1109 C LYS A 75 -11.017 -4.128 1.756 1.00 0.00 C ATOM 1110 O LYS A 75 -10.440 -5.186 2.004 1.00 0.00 O ATOM 1111 CB LYS A 75 -13.092 -3.539 3.022 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.720 -2.861 4.228 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.236 -2.944 4.188 1.00 0.00 C ATOM 1114 CE LYS A 75 -15.802 -2.221 2.975 1.00 0.00 C ATOM 1115 NZ LYS A 75 -17.277 -2.042 3.075 1.00 0.00 N ATOM 0 H LYS A 75 -12.202 -1.290 2.568 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.092 -3.538 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.601 -3.200 2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.255 -4.614 3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.353 -3.329 5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.413 -1.816 4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.544 -3.989 4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.649 -2.509 5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.324 -1.246 2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.565 -2.785 2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.625 -1.546 2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.736 -2.973 3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.502 -1.482 3.922 1.00 0.00 H new ATOM 1129 N TYR A 76 -11.176 -3.662 0.522 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.672 -4.386 -0.639 1.00 0.00 C ATOM 1131 C TYR A 76 -9.147 -4.379 -0.666 1.00 0.00 C ATOM 1132 O TYR A 76 -8.512 -5.424 -0.805 1.00 0.00 O ATOM 1133 CB TYR A 76 -11.219 -3.770 -1.927 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.621 -4.363 -3.183 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -11.141 -5.523 -3.743 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.536 -3.763 -3.810 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -10.598 -6.069 -4.890 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -8.987 -4.301 -4.958 1.00 0.00 C ATOM 1139 CZ TYR A 76 -9.522 -5.454 -5.494 1.00 0.00 C ATOM 1140 OH TYR A 76 -8.977 -5.994 -6.637 1.00 0.00 O ATOM 0 H TYR A 76 -11.650 -2.786 0.300 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.011 -5.419 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.301 -3.902 -1.952 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.029 -2.697 -1.916 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.985 -6.007 -3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.114 -2.860 -3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.014 -6.972 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.144 -3.822 -5.433 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.891 -5.296 -7.320 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.565 -3.193 -0.529 1.00 0.00 N ATOM 1151 CA ALA A 77 -7.113 -3.048 -0.535 1.00 0.00 C ATOM 1152 C ALA A 77 -6.457 -4.065 0.393 1.00 0.00 C ATOM 1153 O ALA A 77 -5.669 -4.901 -0.047 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.723 -1.634 -0.133 1.00 0.00 C ATOM 0 H ALA A 77 -9.076 -2.318 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.757 -3.237 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.637 -1.540 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.155 -0.923 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.097 -1.424 0.869 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.787 -3.985 1.678 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.229 -4.898 2.666 1.00 0.00 C ATOM 1162 C ILE A 78 -6.430 -6.351 2.249 1.00 0.00 C ATOM 1163 O ILE A 78 -5.535 -7.181 2.403 1.00 0.00 O ATOM 1164 CB ILE A 78 -6.864 -4.683 4.053 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.628 -3.248 4.529 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.300 -5.679 5.056 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.606 -2.794 5.590 1.00 0.00 C ATOM 0 H ILE A 78 -7.438 -3.298 2.058 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.162 -4.684 2.725 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.938 -4.848 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.615 -3.166 4.922 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.694 -2.575 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.759 -5.513 6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.515 -6.694 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.221 -5.544 5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.378 -1.768 5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.621 -2.843 5.195 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.525 -3.443 6.462 1.00 0.00 H new ATOM 1179 N SER A 79 -7.610 -6.650 1.717 1.00 0.00 N ATOM 1180 CA SER A 79 -7.930 -8.003 1.278 1.00 0.00 C ATOM 1181 C SER A 79 -6.913 -8.496 0.253 1.00 0.00 C ATOM 1182 O SER A 79 -6.264 -9.523 0.450 1.00 0.00 O ATOM 1183 CB SER A 79 -9.338 -8.049 0.679 1.00 0.00 C ATOM 1184 OG SER A 79 -9.925 -9.326 0.855 1.00 0.00 O ATOM 0 H SER A 79 -8.361 -5.973 1.579 1.00 0.00 H new ATOM 0 HA SER A 79 -7.891 -8.659 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.962 -7.290 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.293 -7.809 -0.383 1.00 0.00 H new ATOM 0 HG SER A 79 -10.824 -9.329 0.466 1.00 0.00 H new ATOM 1190 N MET A 80 -6.781 -7.756 -0.843 1.00 0.00 N ATOM 1191 CA MET A 80 -5.842 -8.116 -1.900 1.00 0.00 C ATOM 1192 C MET A 80 -4.521 -8.601 -1.311 1.00 0.00 C ATOM 1193 O MET A 80 -4.050 -9.691 -1.633 1.00 0.00 O ATOM 1194 CB MET A 80 -5.595 -6.920 -2.821 1.00 0.00 C ATOM 1195 CG MET A 80 -6.851 -6.422 -3.520 1.00 0.00 C ATOM 1196 SD MET A 80 -7.804 -7.756 -4.270 1.00 0.00 S ATOM 1197 CE MET A 80 -6.706 -8.255 -5.593 1.00 0.00 C ATOM 0 H MET A 80 -7.312 -6.904 -1.023 1.00 0.00 H new ATOM 0 HA MET A 80 -6.280 -8.928 -2.481 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.166 -6.105 -2.238 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.856 -7.197 -3.573 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.477 -5.893 -2.801 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.573 -5.702 -4.290 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.039 -9.209 -6.002 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.717 -7.500 -6.379 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.693 -8.360 -5.205 1.00 0.00 H new ATOM 1207 N ALA A 81 -3.928 -7.784 -0.446 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.663 -8.130 0.188 1.00 0.00 C ATOM 1209 C ALA A 81 -2.648 -9.592 0.622 1.00 0.00 C ATOM 1210 O ALA A 81 -1.687 -10.317 0.364 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.403 -7.221 1.380 1.00 0.00 C ATOM 0 H ALA A 81 -4.304 -6.877 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.868 -7.987 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.454 -7.491 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.361 -6.185 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.207 -7.335 2.107 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.720 -10.019 1.282 1.00 0.00 N ATOM 1218 CA ARG A 82 -3.829 -11.394 1.754 1.00 0.00 C ATOM 1219 C ARG A 82 -4.000 -12.358 0.584 1.00 0.00 C ATOM 1220 O ARG A 82 -3.380 -13.422 0.545 1.00 0.00 O ATOM 1221 CB ARG A 82 -5.007 -11.532 2.718 1.00 0.00 C ATOM 1222 CG ARG A 82 -4.645 -11.250 4.167 1.00 0.00 C ATOM 1223 CD ARG A 82 -4.035 -12.472 4.837 1.00 0.00 C ATOM 1224 NE ARG A 82 -4.076 -12.375 6.294 1.00 0.00 N ATOM 1225 CZ ARG A 82 -3.512 -13.263 7.106 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -2.869 -14.308 6.605 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -3.592 -13.105 8.421 1.00 0.00 N ATOM 0 H ARG A 82 -4.525 -9.432 1.502 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.907 -11.646 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.799 -10.849 2.411 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.410 -12.542 2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.941 -10.419 4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.537 -10.942 4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.571 -13.366 4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.001 -12.587 4.510 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.564 -11.582 6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -2.806 -14.432 5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.437 -14.988 7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.087 -12.302 8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.159 -13.787 9.044 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.844 -11.980 -0.370 1.00 0.00 N ATOM 1242 CA LYS A 83 -5.097 -12.809 -1.542 1.00 0.00 C ATOM 1243 C LYS A 83 -3.789 -13.215 -2.213 1.00 0.00 C ATOM 1244 O LYS A 83 -3.552 -14.397 -2.464 1.00 0.00 O ATOM 1245 CB LYS A 83 -5.984 -12.060 -2.540 1.00 0.00 C ATOM 1246 CG LYS A 83 -6.802 -12.976 -3.433 1.00 0.00 C ATOM 1247 CD LYS A 83 -7.957 -13.608 -2.675 1.00 0.00 C ATOM 1248 CE LYS A 83 -9.114 -13.948 -3.603 1.00 0.00 C ATOM 1249 NZ LYS A 83 -10.232 -14.612 -2.876 1.00 0.00 N ATOM 0 H LYS A 83 -5.365 -11.103 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.612 -13.712 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.659 -11.403 -1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.357 -11.423 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.188 -12.410 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.160 -13.758 -3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.613 -14.513 -2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.301 -12.925 -1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.479 -13.037 -4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.760 -14.602 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.000 -14.827 -3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.890 -15.495 -2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.587 -13.978 -2.132 1.00 0.00 H new ATOM 1263 N ILE A 84 -2.945 -12.231 -2.499 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.661 -12.487 -3.139 1.00 0.00 C ATOM 1265 C ILE A 84 -0.715 -13.224 -2.196 1.00 0.00 C ATOM 1266 O ILE A 84 0.157 -13.973 -2.635 1.00 0.00 O ATOM 1267 CB ILE A 84 -0.991 -11.181 -3.601 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -0.796 -10.234 -2.416 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -1.823 -10.514 -4.687 1.00 0.00 C ATOM 1270 CD1 ILE A 84 0.175 -9.108 -2.694 1.00 0.00 C ATOM 0 H ILE A 84 -3.127 -11.248 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.862 -13.110 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.012 -11.420 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.761 -9.810 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.440 -10.806 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.336 -9.592 -5.003 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.915 -11.187 -5.540 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.815 -10.285 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.263 -8.477 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.152 -9.523 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.189 -8.511 -3.530 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.896 -13.008 -0.897 1.00 0.00 N ATOM 1283 CA GLY A 85 -0.053 -13.660 0.089 1.00 0.00 C ATOM 1284 C GLY A 85 0.692 -12.669 0.961 1.00 0.00 C ATOM 1285 O GLY A 85 1.850 -12.346 0.697 1.00 0.00 O ATOM 0 H GLY A 85 -1.611 -12.393 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.667 -14.304 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.665 -14.303 -0.420 1.00 0.00 H new ATOM 1289 N ALA A 86 0.025 -12.181 2.002 1.00 0.00 N ATOM 1290 CA ALA A 86 0.631 -11.221 2.916 1.00 0.00 C ATOM 1291 C ALA A 86 -0.233 -11.024 4.157 1.00 0.00 C ATOM 1292 O ALA A 86 -1.399 -10.643 4.058 1.00 0.00 O ATOM 1293 CB ALA A 86 0.858 -9.892 2.212 1.00 0.00 C ATOM 0 H ALA A 86 -0.935 -12.435 2.233 1.00 0.00 H new ATOM 0 HA ALA A 86 1.594 -11.619 3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.311 -9.185 2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.522 -10.040 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.096 -9.497 1.863 1.00 0.00 H new ATOM 1299 N ARG A 87 0.347 -11.286 5.324 1.00 0.00 N ATOM 1300 CA ARG A 87 -0.371 -11.138 6.584 1.00 0.00 C ATOM 1301 C ARG A 87 -0.675 -9.670 6.868 1.00 0.00 C ATOM 1302 O ARG A 87 0.231 -8.874 7.112 1.00 0.00 O ATOM 1303 CB ARG A 87 0.444 -11.733 7.733 1.00 0.00 C ATOM 1304 CG ARG A 87 0.452 -13.252 7.753 1.00 0.00 C ATOM 1305 CD ARG A 87 1.111 -13.791 9.013 1.00 0.00 C ATOM 1306 NE ARG A 87 0.732 -15.176 9.280 1.00 0.00 N ATOM 1307 CZ ARG A 87 1.341 -16.223 8.734 1.00 0.00 C ATOM 1308 NH1 ARG A 87 2.353 -16.043 7.897 1.00 0.00 N ATOM 1309 NH2 ARG A 87 0.938 -17.453 9.027 1.00 0.00 N ATOM 0 H ARG A 87 1.312 -11.602 5.423 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.315 -11.677 6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.471 -11.374 7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.043 -11.368 8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.571 -13.623 7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.981 -13.625 6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.194 -13.725 8.912 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.831 -13.168 9.863 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.043 -15.349 9.921 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.666 -15.099 7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.819 -16.849 7.479 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.160 -17.595 9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.406 -18.256 8.608 1.00 0.00 H new ATOM 1323 N VAL A 88 -1.957 -9.318 6.834 1.00 0.00 N ATOM 1324 CA VAL A 88 -2.381 -7.947 7.088 1.00 0.00 C ATOM 1325 C VAL A 88 -3.166 -7.847 8.390 1.00 0.00 C ATOM 1326 O VAL A 88 -4.264 -8.393 8.509 1.00 0.00 O ATOM 1327 CB VAL A 88 -3.246 -7.404 5.935 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -2.436 -7.324 4.650 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -4.481 -8.271 5.743 1.00 0.00 C ATOM 0 H VAL A 88 -2.720 -9.965 6.633 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.476 -7.345 7.167 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.573 -6.397 6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.064 -6.938 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.585 -6.658 4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.077 -8.318 4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.081 -7.873 4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.177 -9.291 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.072 -8.271 6.659 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.600 -7.145 9.365 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.245 -6.975 10.660 1.00 0.00 C ATOM 1341 C TYR A 89 -3.701 -5.532 10.856 1.00 0.00 C ATOM 1342 O TYR A 89 -3.611 -4.985 11.955 1.00 0.00 O ATOM 1343 CB TYR A 89 -2.293 -7.378 11.787 1.00 0.00 C ATOM 1344 CG TYR A 89 -2.997 -7.907 13.016 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -3.762 -9.065 12.959 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -2.897 -7.247 14.235 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -4.407 -9.551 14.080 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -3.537 -7.727 15.361 1.00 0.00 C ATOM 1349 CZ TYR A 89 -4.292 -8.879 15.278 1.00 0.00 C ATOM 1350 OH TYR A 89 -4.933 -9.360 16.397 1.00 0.00 O ATOM 0 H TYR A 89 -1.694 -6.684 9.282 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.122 -7.622 10.687 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.607 -8.139 11.416 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.690 -6.514 12.068 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.854 -9.595 12.022 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.309 -6.344 14.303 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.998 -10.453 14.018 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.447 -7.203 16.301 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.749 -8.771 17.158 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.192 -4.923 9.782 1.00 0.00 N ATOM 1361 CA ALA A 90 -4.665 -3.545 9.835 1.00 0.00 C ATOM 1362 C ALA A 90 -6.187 -3.484 9.771 1.00 0.00 C ATOM 1363 O ALA A 90 -6.862 -4.515 9.778 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.055 -2.734 8.702 1.00 0.00 C ATOM 0 H ALA A 90 -4.273 -5.362 8.865 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.350 -3.115 10.786 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.417 -1.707 8.754 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.969 -2.741 8.793 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.342 -3.172 7.746 1.00 0.00 H new ATOM 1370 N LEU A 91 -6.724 -2.270 9.709 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.168 -2.075 9.644 1.00 0.00 C ATOM 1372 C LEU A 91 -8.538 -1.119 8.515 1.00 0.00 C ATOM 1373 O LEU A 91 -7.921 -0.071 8.329 1.00 0.00 O ATOM 1374 CB LEU A 91 -8.690 -1.534 10.978 1.00 0.00 C ATOM 1375 CG LEU A 91 -10.180 -1.743 11.250 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -10.470 -3.207 11.539 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -10.639 -0.867 12.406 1.00 0.00 C ATOM 0 H LEU A 91 -6.181 -1.406 9.702 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.632 -3.041 9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.125 -2.003 11.783 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.480 -0.465 11.021 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.737 -1.454 10.359 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.535 -3.336 11.730 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.180 -3.812 10.680 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.903 -3.524 12.414 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.702 -1.029 12.585 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.076 -1.124 13.303 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.468 0.181 12.159 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.573 -1.486 7.743 1.00 0.00 N ATOM 1390 CA PRO A 92 -10.051 -0.674 6.621 1.00 0.00 C ATOM 1391 C PRO A 92 -10.726 0.613 7.084 1.00 0.00 C ATOM 1392 O PRO A 92 -10.673 1.632 6.397 1.00 0.00 O ATOM 1393 CB PRO A 92 -11.063 -1.589 5.927 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.531 -2.515 6.995 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.355 -2.722 7.909 1.00 0.00 C ATOM 0 HA PRO A 92 -9.235 -0.351 5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.891 -1.017 5.508 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.603 -2.135 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.376 -2.090 7.537 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.867 -3.461 6.571 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.670 -2.863 8.943 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.778 -3.603 7.629 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.359 0.558 8.251 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.045 1.720 8.803 1.00 0.00 C ATOM 1405 C GLU A 93 -11.046 2.807 9.193 1.00 0.00 C ATOM 1406 O GLU A 93 -11.306 3.996 9.014 1.00 0.00 O ATOM 1407 CB GLU A 93 -12.878 1.317 10.021 1.00 0.00 C ATOM 1408 CG GLU A 93 -14.299 0.904 9.677 1.00 0.00 C ATOM 1409 CD GLU A 93 -15.127 0.583 10.906 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -15.271 1.469 11.774 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -15.633 -0.555 10.998 1.00 0.00 O ATOM 0 H GLU A 93 -11.411 -0.278 8.832 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.708 2.118 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.383 0.492 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.911 2.152 10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.781 1.706 9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.272 0.032 9.024 1.00 0.00 H new ATOM 1418 N ASP A 94 -9.905 2.388 9.728 1.00 0.00 N ATOM 1419 CA ASP A 94 -8.866 3.323 10.143 1.00 0.00 C ATOM 1420 C ASP A 94 -8.088 3.843 8.937 1.00 0.00 C ATOM 1421 O ASP A 94 -7.737 5.022 8.873 1.00 0.00 O ATOM 1422 CB ASP A 94 -7.910 2.652 11.131 1.00 0.00 C ATOM 1423 CG ASP A 94 -8.531 2.468 12.502 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -9.320 1.514 12.672 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -8.228 3.276 13.404 1.00 0.00 O ATOM 0 H ASP A 94 -9.676 1.406 9.885 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.349 4.168 10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.609 1.681 10.738 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.005 3.253 11.223 1.00 0.00 H new ATOM 1430 N LEU A 95 -7.824 2.956 7.984 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.087 3.324 6.780 1.00 0.00 C ATOM 1432 C LEU A 95 -7.746 4.507 6.078 1.00 0.00 C ATOM 1433 O LEU A 95 -7.069 5.426 5.617 1.00 0.00 O ATOM 1434 CB LEU A 95 -7.003 2.132 5.826 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.514 2.440 4.409 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.092 2.980 4.441 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.594 1.197 3.536 1.00 0.00 C ATOM 0 H LEU A 95 -8.109 1.977 8.021 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.079 3.617 7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.339 1.387 6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.991 1.677 5.757 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.162 3.204 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.761 3.193 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.064 3.896 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.431 2.238 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.242 1.434 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.970 0.412 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.627 0.853 3.487 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.073 4.479 6.004 1.00 0.00 N ATOM 1450 CA VAL A 96 -9.825 5.550 5.361 1.00 0.00 C ATOM 1451 C VAL A 96 -9.337 6.918 5.825 1.00 0.00 C ATOM 1452 O VAL A 96 -9.311 7.873 5.050 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.333 5.430 5.652 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -12.067 6.681 5.195 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -11.907 4.191 4.980 1.00 0.00 C ATOM 0 H VAL A 96 -9.649 3.727 6.381 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.661 5.453 4.288 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.471 5.330 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.131 6.577 5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.673 7.548 5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.924 6.816 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.973 4.121 5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.758 4.260 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.401 3.304 5.360 1.00 0.00 H new ATOM 1465 N GLU A 97 -8.954 7.005 7.095 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.467 8.258 7.661 1.00 0.00 C ATOM 1467 C GLU A 97 -6.945 8.257 7.755 1.00 0.00 C ATOM 1468 O GLU A 97 -6.368 8.817 8.689 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.074 8.485 9.048 1.00 0.00 C ATOM 1470 CG GLU A 97 -10.590 8.594 9.038 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.119 9.482 10.148 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -10.783 10.685 10.154 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -11.867 8.975 11.008 1.00 0.00 O ATOM 0 H GLU A 97 -8.971 6.224 7.751 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.772 9.069 7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.781 7.664 9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.655 9.397 9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.916 8.989 8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.023 7.598 9.137 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.297 7.624 6.781 1.00 0.00 N ATOM 1481 CA VAL A 98 -4.842 7.550 6.753 1.00 0.00 C ATOM 1482 C VAL A 98 -4.269 7.448 8.161 1.00 0.00 C ATOM 1483 O VAL A 98 -3.331 8.160 8.515 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.231 8.778 6.051 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -2.735 8.594 5.857 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -4.923 9.028 4.719 1.00 0.00 C ATOM 0 H VAL A 98 -6.758 7.155 6.001 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.582 6.652 6.192 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.385 9.651 6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.322 9.472 5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.255 8.467 6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.553 7.711 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.479 9.899 4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.802 8.156 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.984 9.209 4.889 1.00 0.00 H new ATOM 1496 N ASN A 99 -4.840 6.553 8.963 1.00 0.00 N ATOM 1497 CA ASN A 99 -4.386 6.357 10.335 1.00 0.00 C ATOM 1498 C ASN A 99 -3.088 5.556 10.369 1.00 0.00 C ATOM 1499 O ASN A 99 -3.041 4.386 9.988 1.00 0.00 O ATOM 1500 CB ASN A 99 -5.462 5.639 11.152 1.00 0.00 C ATOM 1501 CG ASN A 99 -6.455 6.603 11.773 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -6.212 7.808 11.835 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -7.581 6.074 12.237 1.00 0.00 N ATOM 0 H ASN A 99 -5.617 5.953 8.686 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.199 7.337 10.773 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.994 4.937 10.510 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.987 5.054 11.939 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.287 6.673 12.666 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.740 5.069 12.164 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.007 6.199 10.835 1.00 0.00 N ATOM 1511 CA PRO A 100 -0.688 5.566 10.931 1.00 0.00 C ATOM 1512 C PRO A 100 -0.638 4.493 12.013 1.00 0.00 C ATOM 1513 O PRO A 100 0.400 3.871 12.237 1.00 0.00 O ATOM 1514 CB PRO A 100 0.238 6.731 11.288 1.00 0.00 C ATOM 1515 CG PRO A 100 -0.643 7.725 11.961 1.00 0.00 C ATOM 1516 CD PRO A 100 -1.990 7.595 11.305 1.00 0.00 C ATOM 0 HA PRO A 100 -0.413 5.052 10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.045 6.408 11.946 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.703 7.154 10.398 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.709 7.527 13.031 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.250 8.735 11.848 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.800 7.792 12.007 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.105 8.298 10.480 1.00 0.00 H new ATOM 1524 N LYS A 101 -1.766 4.281 12.682 1.00 0.00 N ATOM 1525 CA LYS A 101 -1.852 3.282 13.740 1.00 0.00 C ATOM 1526 C LYS A 101 -2.029 1.884 13.156 1.00 0.00 C ATOM 1527 O LYS A 101 -1.434 0.921 13.637 1.00 0.00 O ATOM 1528 CB LYS A 101 -3.014 3.605 14.682 1.00 0.00 C ATOM 1529 CG LYS A 101 -2.796 4.858 15.512 1.00 0.00 C ATOM 1530 CD LYS A 101 -3.197 6.109 14.750 1.00 0.00 C ATOM 1531 CE LYS A 101 -2.975 7.363 15.581 1.00 0.00 C ATOM 1532 NZ LYS A 101 -1.531 7.599 15.856 1.00 0.00 N ATOM 0 H LYS A 101 -2.634 4.788 12.510 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.919 3.305 14.303 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.925 3.723 14.095 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.174 2.760 15.351 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.375 4.791 16.433 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.747 4.927 15.800 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.620 6.175 13.828 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.247 6.042 14.465 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.390 8.224 15.057 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.514 7.274 16.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.354 7.514 16.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.961 6.895 15.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.268 8.554 15.537 1.00 0.00 H new ATOM 1546 N MET A 102 -2.851 1.782 12.117 1.00 0.00 N ATOM 1547 CA MET A 102 -3.105 0.502 11.466 1.00 0.00 C ATOM 1548 C MET A 102 -2.218 0.332 10.237 1.00 0.00 C ATOM 1549 O MET A 102 -1.585 -0.708 10.054 1.00 0.00 O ATOM 1550 CB MET A 102 -4.577 0.391 11.068 1.00 0.00 C ATOM 1551 CG MET A 102 -5.538 0.573 12.231 1.00 0.00 C ATOM 1552 SD MET A 102 -5.233 -0.593 13.572 1.00 0.00 S ATOM 1553 CE MET A 102 -5.013 0.527 14.952 1.00 0.00 C ATOM 0 H MET A 102 -3.353 2.570 11.708 1.00 0.00 H new ATOM 0 HA MET A 102 -2.868 -0.291 12.175 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.796 1.139 10.306 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.749 -0.585 10.615 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.452 1.590 12.613 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.561 0.452 11.875 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.950 0.628 15.173 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.425 1.503 14.697 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.529 0.132 15.827 1.00 0.00 H new ATOM 1563 N VAL A 103 -2.177 1.362 9.396 1.00 0.00 N ATOM 1564 CA VAL A 103 -1.368 1.327 8.184 1.00 0.00 C ATOM 1565 C VAL A 103 -0.010 0.686 8.448 1.00 0.00 C ATOM 1566 O VAL A 103 0.620 0.145 7.540 1.00 0.00 O ATOM 1567 CB VAL A 103 -1.153 2.739 7.611 1.00 0.00 C ATOM 1568 CG1 VAL A 103 -0.281 2.685 6.366 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -2.490 3.400 7.306 1.00 0.00 C ATOM 0 H VAL A 103 -2.695 2.230 9.533 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.915 0.727 7.456 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.638 3.340 8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.141 3.693 5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.688 2.256 6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.765 2.067 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.319 4.398 6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.034 2.801 6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.076 3.475 8.222 1.00 0.00 H new ATOM 1579 N MET A 104 0.435 0.750 9.699 1.00 0.00 N ATOM 1580 CA MET A 104 1.718 0.174 10.084 1.00 0.00 C ATOM 1581 C MET A 104 1.903 -1.207 9.462 1.00 0.00 C ATOM 1582 O MET A 104 3.016 -1.595 9.105 1.00 0.00 O ATOM 1583 CB MET A 104 1.823 0.078 11.607 1.00 0.00 C ATOM 1584 CG MET A 104 2.976 -0.790 12.084 1.00 0.00 C ATOM 1585 SD MET A 104 2.562 -2.545 12.101 1.00 0.00 S ATOM 1586 CE MET A 104 1.003 -2.518 12.982 1.00 0.00 C ATOM 0 H MET A 104 -0.074 1.195 10.463 1.00 0.00 H new ATOM 0 HA MET A 104 2.507 0.829 9.714 1.00 0.00 H new ATOM 0 HB2 MET A 104 1.939 1.081 12.019 1.00 0.00 H new ATOM 0 HB3 MET A 104 0.890 -0.323 12.003 1.00 0.00 H new ATOM 0 HG2 MET A 104 3.838 -0.630 11.437 1.00 0.00 H new ATOM 0 HG3 MET A 104 3.269 -0.480 13.087 1.00 0.00 H new ATOM 0 HE1 MET A 104 0.870 -3.459 13.516 1.00 0.00 H new ATOM 0 HE2 MET A 104 1.002 -1.693 13.695 1.00 0.00 H new ATOM 0 HE3 MET A 104 0.186 -2.385 12.272 1.00 0.00 H new ATOM 1596 N THR A 105 0.805 -1.946 9.336 1.00 0.00 N ATOM 1597 CA THR A 105 0.847 -3.283 8.759 1.00 0.00 C ATOM 1598 C THR A 105 0.572 -3.245 7.260 1.00 0.00 C ATOM 1599 O THR A 105 1.277 -3.876 6.472 1.00 0.00 O ATOM 1600 CB THR A 105 -0.176 -4.218 9.432 1.00 0.00 C ATOM 1601 OG1 THR A 105 -1.296 -3.460 9.904 1.00 0.00 O ATOM 1602 CG2 THR A 105 0.459 -4.968 10.593 1.00 0.00 C ATOM 0 H THR A 105 -0.124 -1.641 9.626 1.00 0.00 H new ATOM 0 HA THR A 105 1.851 -3.669 8.932 1.00 0.00 H new ATOM 0 HB THR A 105 -0.514 -4.943 8.692 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.579 -3.804 10.777 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.282 -5.622 11.053 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.293 -5.566 10.227 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.821 -4.254 11.333 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.457 -2.499 6.871 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.824 -2.376 5.464 1.00 0.00 C ATOM 1612 C VAL A 106 0.414 -2.286 4.580 1.00 0.00 C ATOM 1613 O VAL A 106 0.471 -2.892 3.509 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.706 -1.138 5.221 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.846 -0.866 3.731 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -3.071 -1.319 5.870 1.00 0.00 C ATOM 0 H VAL A 106 -1.051 -1.971 7.510 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.388 -3.272 5.204 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.224 -0.275 5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.473 0.013 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.861 -0.688 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.305 -1.727 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.681 -0.434 5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.563 -2.193 5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.948 -1.460 6.944 1.00 0.00 H new ATOM 1626 N PHE A 107 1.406 -1.528 5.034 1.00 0.00 N ATOM 1627 CA PHE A 107 2.644 -1.358 4.282 1.00 0.00 C ATOM 1628 C PHE A 107 3.683 -2.393 4.705 1.00 0.00 C ATOM 1629 O PHE A 107 4.227 -3.118 3.874 1.00 0.00 O ATOM 1630 CB PHE A 107 3.201 0.052 4.487 1.00 0.00 C ATOM 1631 CG PHE A 107 2.703 1.046 3.477 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.680 0.729 2.128 1.00 0.00 C ATOM 1633 CD2 PHE A 107 2.257 2.295 3.875 1.00 0.00 C ATOM 1634 CE1 PHE A 107 2.224 1.641 1.196 1.00 0.00 C ATOM 1635 CE2 PHE A 107 1.799 3.212 2.948 1.00 0.00 C ATOM 1636 CZ PHE A 107 1.782 2.884 1.606 1.00 0.00 C ATOM 0 H PHE A 107 1.377 -1.022 5.919 1.00 0.00 H new ATOM 0 HA PHE A 107 2.421 -1.503 3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 107 2.935 0.397 5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 107 4.289 0.014 4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 107 3.022 -0.242 1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.267 2.556 4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 107 2.213 1.382 0.147 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.455 4.183 3.272 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.424 3.598 0.879 1.00 0.00 H new ATOM 1646 N ALA A 108 3.952 -2.455 6.005 1.00 0.00 N ATOM 1647 CA ALA A 108 4.924 -3.401 6.540 1.00 0.00 C ATOM 1648 C ALA A 108 4.866 -4.729 5.793 1.00 0.00 C ATOM 1649 O ALA A 108 5.885 -5.231 5.319 1.00 0.00 O ATOM 1650 CB ALA A 108 4.686 -3.618 8.027 1.00 0.00 C ATOM 0 H ALA A 108 3.511 -1.861 6.707 1.00 0.00 H new ATOM 0 HA ALA A 108 5.919 -2.979 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.419 -4.326 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.786 -2.669 8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.682 -4.014 8.181 1.00 0.00 H new ATOM 1656 N CYS A 109 3.667 -5.293 5.694 1.00 0.00 N ATOM 1657 CA CYS A 109 3.476 -6.565 5.005 1.00 0.00 C ATOM 1658 C CYS A 109 3.988 -6.489 3.570 1.00 0.00 C ATOM 1659 O CYS A 109 4.597 -7.433 3.066 1.00 0.00 O ATOM 1660 CB CYS A 109 1.997 -6.956 5.012 1.00 0.00 C ATOM 1661 SG CYS A 109 0.901 -5.707 4.300 1.00 0.00 S ATOM 0 H CYS A 109 2.814 -4.890 6.081 1.00 0.00 H new ATOM 0 HA CYS A 109 4.048 -7.326 5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.876 -7.888 4.460 1.00 0.00 H new ATOM 0 HB3 CYS A 109 1.689 -7.152 6.039 1.00 0.00 H new ATOM 0 HG CYS A 109 0.643 -4.797 5.192 1.00 0.00 H new ATOM 1667 N LEU A 110 3.735 -5.361 2.917 1.00 0.00 N ATOM 1668 CA LEU A 110 4.168 -5.161 1.538 1.00 0.00 C ATOM 1669 C LEU A 110 5.655 -4.827 1.477 1.00 0.00 C ATOM 1670 O LEU A 110 6.451 -5.591 0.931 1.00 0.00 O ATOM 1671 CB LEU A 110 3.356 -4.041 0.885 1.00 0.00 C ATOM 1672 CG LEU A 110 1.836 -4.152 1.013 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.174 -2.824 0.680 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.304 -5.256 0.110 1.00 0.00 C ATOM 0 H LEU A 110 3.232 -4.570 3.320 1.00 0.00 H new ATOM 0 HA LEU A 110 4.000 -6.090 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.669 -3.092 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.610 -4.006 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 110 1.595 -4.406 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.093 -2.922 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.531 -2.057 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.423 -2.540 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.221 -5.321 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.556 -5.032 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.753 -6.207 0.395 1.00 0.00 H new