USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 760 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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 SER OG : rot -160:sc= 0 USER MOD Set 1.3: A 79 ASN : amide:sc= -0.378 K(o=-0.38,f=-3.3!) USER MOD Set 2.1: A 44 MET CE :methyl 167:sc= -2.33 (180deg=-3.4) USER MOD Set 2.2: A 68 GLN : amide:sc= -1.83 K(o=-4.2,f=-11!) USER MOD Set 3.1: A 41 HIS : no HE2:sc= -5.48! C(o=-4.7!,f=-9.1!) USER MOD Set 3.2: A 90 TYR OH : rot -17:sc= 0.798 USER MOD Single : A 10 HIS : no HD1:sc= -0.707 K(o=-0.71,f=-0.14) USER MOD Single : A 12 MET CE :methyl 144:sc= -0.3 (180deg=-1.51) USER MOD Single : A 14 HIS : no HE2:sc= -0.216 K(o=-0.22,f=-0.72) USER MOD Single : A 21 SER OG : rot -26:sc= 0.0806 USER MOD Single : A 24 TYR OH : rot 98:sc= 1.24 USER MOD Single : A 29 ASN : amide:sc= -0.745 K(o=-0.74,f=-5.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -121:sc= -6.93! (180deg=-11.6!) USER MOD Single : A 43 MET CE :methyl 180:sc= -0.277 (180deg=-0.277) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.072 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.713 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 58 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.088) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -96:sc= 0.211 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.78! C(o=-1.8!,f=-3.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 98 SER OG : rot -20:sc= -0.198 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 7 6.723 -8.058 -12.804 1.00 0.00 N ATOM 106 CA ILE A 7 6.029 -6.827 -12.373 1.00 0.00 C ATOM 107 C ILE A 7 5.606 -6.953 -10.906 1.00 0.00 C ATOM 108 O ILE A 7 6.012 -6.136 -10.088 1.00 0.00 O ATOM 109 CB ILE A 7 4.864 -6.449 -13.324 1.00 0.00 C ATOM 110 CG1 ILE A 7 4.624 -4.927 -13.376 1.00 0.00 C ATOM 111 CG2 ILE A 7 3.550 -7.236 -13.156 1.00 0.00 C ATOM 112 CD1 ILE A 7 4.284 -4.195 -12.070 1.00 0.00 C ATOM 0 HA ILE A 7 6.724 -5.990 -12.439 1.00 0.00 H new ATOM 0 HB ILE A 7 5.228 -6.778 -14.297 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.519 -4.464 -13.792 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.813 -4.743 -14.080 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.816 -6.878 -13.878 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.737 -8.297 -13.325 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.166 -7.091 -12.146 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.145 -3.133 -12.274 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.367 -4.607 -11.650 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.099 -4.324 -11.358 1.00 0.00 H new ATOM 124 N LEU A 8 5.018 -8.108 -10.593 1.00 0.00 N ATOM 125 CA LEU A 8 4.540 -8.464 -9.247 1.00 0.00 C ATOM 126 C LEU A 8 3.790 -7.307 -8.563 1.00 0.00 C ATOM 127 O LEU A 8 3.474 -6.292 -9.180 1.00 0.00 O ATOM 128 CB LEU A 8 5.764 -8.976 -8.468 1.00 0.00 C ATOM 129 CG LEU A 8 5.975 -10.497 -8.457 1.00 0.00 C ATOM 130 CD1 LEU A 8 5.146 -11.068 -7.312 1.00 0.00 C ATOM 131 CD2 LEU A 8 5.639 -11.204 -9.781 1.00 0.00 C ATOM 0 H LEU A 8 4.855 -8.843 -11.281 1.00 0.00 H new ATOM 0 HA LEU A 8 3.787 -9.250 -9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.656 -8.510 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.680 -8.635 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 8 7.040 -10.682 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.273 -12.150 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.477 -10.631 -6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.094 -10.831 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.819 -12.274 -9.678 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.591 -11.034 -10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.269 -10.805 -10.576 1.00 0.00 H new ATOM 143 N TRP A 9 3.444 -7.509 -7.300 1.00 0.00 N ATOM 144 CA TRP A 9 2.775 -6.453 -6.514 1.00 0.00 C ATOM 145 C TRP A 9 3.665 -5.859 -5.426 1.00 0.00 C ATOM 146 O TRP A 9 3.909 -4.660 -5.440 1.00 0.00 O ATOM 147 CB TRP A 9 1.439 -6.897 -5.921 1.00 0.00 C ATOM 148 CG TRP A 9 0.304 -6.928 -6.948 1.00 0.00 C ATOM 149 CD1 TRP A 9 0.247 -6.347 -8.150 1.00 0.00 C ATOM 150 CD2 TRP A 9 -0.940 -7.481 -6.711 1.00 0.00 C ATOM 151 NE1 TRP A 9 -0.979 -6.484 -8.661 1.00 0.00 N ATOM 152 CE2 TRP A 9 -1.718 -7.201 -7.821 1.00 0.00 C ATOM 153 CE3 TRP A 9 -1.474 -8.137 -5.615 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -3.052 -7.587 -7.837 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -2.815 -8.495 -5.616 1.00 0.00 C ATOM 156 CH2 TRP A 9 -3.598 -8.212 -6.725 1.00 0.00 C ATOM 0 H TRP A 9 3.608 -8.378 -6.792 1.00 0.00 H new ATOM 0 HA TRP A 9 2.569 -5.666 -7.240 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.554 -7.890 -5.486 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.167 -6.223 -5.109 1.00 0.00 H new ATOM 0 HD1 TRP A 9 1.069 -5.842 -8.635 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -1.297 -6.101 -9.551 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -0.851 -8.369 -4.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.661 -7.402 -8.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -3.246 -8.991 -4.759 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.644 -8.481 -6.723 1.00 0.00 H new ATOM 167 N HIS A 10 4.373 -6.747 -4.734 1.00 0.00 N ATOM 168 CA HIS A 10 5.463 -6.402 -3.795 1.00 0.00 C ATOM 169 C HIS A 10 6.462 -5.373 -4.381 1.00 0.00 C ATOM 170 O HIS A 10 6.977 -4.508 -3.678 1.00 0.00 O ATOM 171 CB HIS A 10 6.105 -7.748 -3.394 1.00 0.00 C ATOM 172 CG HIS A 10 7.631 -7.837 -3.342 1.00 0.00 C ATOM 173 ND1 HIS A 10 8.379 -7.879 -2.241 1.00 0.00 N ATOM 174 CD2 HIS A 10 8.467 -7.731 -4.375 1.00 0.00 C ATOM 175 CE1 HIS A 10 9.653 -7.744 -2.592 1.00 0.00 C ATOM 176 NE2 HIS A 10 9.709 -7.637 -3.917 1.00 0.00 N ATOM 0 H HIS A 10 4.210 -7.751 -4.804 1.00 0.00 H new ATOM 0 HA HIS A 10 5.084 -5.886 -2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.723 -8.019 -2.410 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.751 -8.506 -4.093 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.180 -7.723 -5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.497 -7.724 -1.919 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.551 -7.507 -4.477 1.00 0.00 H new ATOM 184 N GLU A 11 6.685 -5.472 -5.691 1.00 0.00 N ATOM 185 CA GLU A 11 7.587 -4.573 -6.446 1.00 0.00 C ATOM 186 C GLU A 11 7.096 -3.121 -6.412 1.00 0.00 C ATOM 187 O GLU A 11 7.740 -2.266 -5.802 1.00 0.00 O ATOM 188 CB GLU A 11 7.732 -5.027 -7.901 1.00 0.00 C ATOM 189 CG GLU A 11 8.257 -6.460 -8.060 1.00 0.00 C ATOM 190 CD GLU A 11 9.718 -6.696 -7.666 1.00 0.00 C ATOM 191 OE1 GLU A 11 10.220 -5.987 -6.767 1.00 0.00 O ATOM 192 OE2 GLU A 11 10.247 -7.721 -8.144 1.00 0.00 O ATOM 0 H GLU A 11 6.244 -6.184 -6.274 1.00 0.00 H new ATOM 0 HA GLU A 11 8.561 -4.624 -5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.762 -4.950 -8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.407 -4.345 -8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.630 -7.122 -7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.131 -6.757 -9.101 1.00 0.00 H new ATOM 199 N MET A 12 5.856 -2.923 -6.866 1.00 0.00 N ATOM 200 CA MET A 12 5.202 -1.607 -6.777 1.00 0.00 C ATOM 201 C MET A 12 4.890 -1.247 -5.313 1.00 0.00 C ATOM 202 O MET A 12 4.405 -0.156 -5.066 1.00 0.00 O ATOM 203 CB MET A 12 3.940 -1.527 -7.654 1.00 0.00 C ATOM 204 CG MET A 12 2.773 -2.345 -7.094 1.00 0.00 C ATOM 205 SD MET A 12 1.246 -2.391 -8.092 1.00 0.00 S ATOM 206 CE MET A 12 1.859 -3.413 -9.410 1.00 0.00 C ATOM 0 H MET A 12 5.284 -3.650 -7.297 1.00 0.00 H new ATOM 0 HA MET A 12 5.904 -0.869 -7.166 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.635 -0.485 -7.748 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.177 -1.882 -8.657 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.115 -3.370 -6.949 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.523 -1.950 -6.109 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.065 -4.073 -9.758 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.194 -2.783 -10.234 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.695 -4.011 -9.048 1.00 0.00 H new ATOM 216 N TRP A 13 4.929 -2.222 -4.406 1.00 0.00 N ATOM 217 CA TRP A 13 4.758 -1.980 -2.966 1.00 0.00 C ATOM 218 C TRP A 13 5.890 -1.163 -2.354 1.00 0.00 C ATOM 219 O TRP A 13 5.623 -0.042 -1.953 1.00 0.00 O ATOM 220 CB TRP A 13 4.509 -3.288 -2.220 1.00 0.00 C ATOM 221 CG TRP A 13 3.032 -3.656 -2.075 1.00 0.00 C ATOM 222 CD1 TRP A 13 2.559 -4.495 -1.152 1.00 0.00 C ATOM 223 CD2 TRP A 13 1.954 -3.259 -2.867 1.00 0.00 C ATOM 224 NE1 TRP A 13 1.246 -4.660 -1.328 1.00 0.00 N ATOM 225 CE2 TRP A 13 0.860 -3.938 -2.365 1.00 0.00 C ATOM 226 CE3 TRP A 13 1.797 -2.405 -3.944 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.380 -3.783 -2.965 1.00 0.00 C ATOM 228 CZ3 TRP A 13 0.572 -2.291 -4.579 1.00 0.00 C ATOM 229 CH2 TRP A 13 -0.519 -2.989 -4.095 1.00 0.00 C ATOM 0 H TRP A 13 5.080 -3.202 -4.644 1.00 0.00 H new ATOM 0 HA TRP A 13 3.869 -1.360 -2.852 1.00 0.00 H new ATOM 0 HB2 TRP A 13 5.023 -4.095 -2.743 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.953 -3.217 -1.227 1.00 0.00 H new ATOM 0 HD1 TRP A 13 3.148 -4.968 -0.380 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.640 -5.247 -0.755 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.637 -1.822 -4.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.243 -4.283 -2.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.469 -1.659 -5.449 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.474 -2.917 -4.594 1.00 0.00 H new ATOM 240 N HIS A 14 7.125 -1.517 -2.691 1.00 0.00 N ATOM 241 CA HIS A 14 8.306 -0.750 -2.245 1.00 0.00 C ATOM 242 C HIS A 14 8.227 0.734 -2.641 1.00 0.00 C ATOM 243 O HIS A 14 8.011 1.601 -1.797 1.00 0.00 O ATOM 244 CB HIS A 14 9.574 -1.381 -2.818 1.00 0.00 C ATOM 245 CG HIS A 14 10.411 -2.026 -1.721 1.00 0.00 C ATOM 246 ND1 HIS A 14 11.029 -3.200 -1.842 1.00 0.00 N ATOM 247 CD2 HIS A 14 10.829 -1.452 -0.594 1.00 0.00 C ATOM 248 CE1 HIS A 14 11.838 -3.345 -0.798 1.00 0.00 C ATOM 249 NE2 HIS A 14 11.714 -2.266 -0.036 1.00 0.00 N ATOM 0 H HIS A 14 7.345 -2.327 -3.270 1.00 0.00 H new ATOM 0 HA HIS A 14 8.330 -0.788 -1.156 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.306 -2.130 -3.563 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.163 -0.620 -3.329 1.00 0.00 H new ATOM 0 HD1 HIS A 14 10.903 -3.869 -2.602 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.506 -0.497 -0.206 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.482 -4.190 -0.604 1.00 0.00 H new ATOM 257 N GLU A 15 8.113 0.954 -3.948 1.00 0.00 N ATOM 258 CA GLU A 15 7.961 2.303 -4.524 1.00 0.00 C ATOM 259 C GLU A 15 6.591 2.931 -4.282 1.00 0.00 C ATOM 260 O GLU A 15 6.523 4.074 -3.864 1.00 0.00 O ATOM 261 CB GLU A 15 8.266 2.305 -6.019 1.00 0.00 C ATOM 262 CG GLU A 15 9.734 2.658 -6.259 1.00 0.00 C ATOM 263 CD GLU A 15 9.878 3.889 -7.163 1.00 0.00 C ATOM 264 OE1 GLU A 15 9.136 3.963 -8.167 1.00 0.00 O ATOM 265 OE2 GLU A 15 10.742 4.727 -6.829 1.00 0.00 O ATOM 0 H GLU A 15 8.122 0.208 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 15 8.690 2.918 -3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.046 1.325 -6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.624 3.024 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.224 2.848 -5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.243 1.809 -6.715 1.00 0.00 H new ATOM 272 N GLY A 16 5.513 2.164 -4.434 1.00 0.00 N ATOM 273 CA GLY A 16 4.149 2.644 -4.157 1.00 0.00 C ATOM 274 C GLY A 16 3.933 3.014 -2.685 1.00 0.00 C ATOM 275 O GLY A 16 2.972 3.692 -2.354 1.00 0.00 O ATOM 0 H GLY A 16 5.554 1.195 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.943 3.515 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.433 1.873 -4.441 1.00 0.00 H new ATOM 279 N LEU A 17 4.788 2.498 -1.810 1.00 0.00 N ATOM 280 CA LEU A 17 4.831 2.916 -0.404 1.00 0.00 C ATOM 281 C LEU A 17 5.857 4.017 -0.160 1.00 0.00 C ATOM 282 O LEU A 17 5.531 4.941 0.565 1.00 0.00 O ATOM 283 CB LEU A 17 5.075 1.732 0.530 1.00 0.00 C ATOM 284 CG LEU A 17 3.933 0.718 0.428 1.00 0.00 C ATOM 285 CD1 LEU A 17 4.296 -0.495 1.263 1.00 0.00 C ATOM 286 CD2 LEU A 17 2.602 1.285 0.911 1.00 0.00 C ATOM 0 H LEU A 17 5.471 1.780 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 17 3.848 3.329 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.019 1.250 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.164 2.085 1.557 1.00 0.00 H new ATOM 0 HG LEU A 17 3.806 0.454 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.494 -1.231 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.220 -0.934 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.436 -0.194 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.827 0.524 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.692 1.585 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.335 2.152 0.307 1.00 0.00 H new ATOM 298 N GLU A 18 6.925 4.052 -0.953 1.00 0.00 N ATOM 299 CA GLU A 18 7.952 5.110 -0.891 1.00 0.00 C ATOM 300 C GLU A 18 7.531 6.400 -1.610 1.00 0.00 C ATOM 301 O GLU A 18 7.216 7.351 -0.914 1.00 0.00 O ATOM 302 CB GLU A 18 9.310 4.594 -1.364 1.00 0.00 C ATOM 303 CG GLU A 18 10.400 5.622 -1.050 1.00 0.00 C ATOM 304 CD GLU A 18 11.679 4.923 -0.598 1.00 0.00 C ATOM 305 OE1 GLU A 18 11.780 4.682 0.623 1.00 0.00 O ATOM 306 OE2 GLU A 18 12.501 4.623 -1.489 1.00 0.00 O ATOM 0 H GLU A 18 7.111 3.346 -1.665 1.00 0.00 H new ATOM 0 HA GLU A 18 8.056 5.385 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.539 3.648 -0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.281 4.399 -2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.602 6.228 -1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.054 6.301 -0.270 1.00 0.00 H new ATOM 313 N GLU A 19 7.278 6.348 -2.916 1.00 0.00 N ATOM 314 CA GLU A 19 6.767 7.465 -3.746 1.00 0.00 C ATOM 315 C GLU A 19 5.468 8.047 -3.160 1.00 0.00 C ATOM 316 O GLU A 19 5.224 9.245 -3.254 1.00 0.00 O ATOM 317 CB GLU A 19 6.530 6.944 -5.175 1.00 0.00 C ATOM 318 CG GLU A 19 5.999 7.975 -6.185 1.00 0.00 C ATOM 319 CD GLU A 19 6.938 9.173 -6.360 1.00 0.00 C ATOM 320 OE1 GLU A 19 8.017 8.963 -6.955 1.00 0.00 O ATOM 321 OE2 GLU A 19 6.571 10.260 -5.865 1.00 0.00 O ATOM 0 H GLU A 19 7.426 5.497 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 19 7.503 8.269 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.469 6.542 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.824 6.115 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.853 7.490 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.022 8.330 -5.856 1.00 0.00 H new ATOM 328 N ALA A 20 4.700 7.188 -2.491 1.00 0.00 N ATOM 329 CA ALA A 20 3.498 7.592 -1.750 1.00 0.00 C ATOM 330 C ALA A 20 3.864 8.231 -0.415 1.00 0.00 C ATOM 331 O ALA A 20 3.752 9.447 -0.289 1.00 0.00 O ATOM 332 CB ALA A 20 2.581 6.407 -1.499 1.00 0.00 C ATOM 0 H ALA A 20 4.892 6.187 -2.445 1.00 0.00 H new ATOM 0 HA ALA A 20 2.975 8.323 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.700 6.738 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.273 5.977 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.111 5.654 -0.916 1.00 0.00 H new ATOM 338 N SER A 21 4.457 7.448 0.491 1.00 0.00 N ATOM 339 CA SER A 21 4.890 7.942 1.813 1.00 0.00 C ATOM 340 C SER A 21 5.765 9.188 1.700 1.00 0.00 C ATOM 341 O SER A 21 5.612 10.051 2.543 1.00 0.00 O ATOM 342 CB SER A 21 5.631 6.922 2.688 1.00 0.00 C ATOM 343 OG SER A 21 6.971 6.715 2.224 1.00 0.00 O ATOM 0 H SER A 21 4.652 6.459 0.336 1.00 0.00 H new ATOM 0 HA SER A 21 3.946 8.169 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.651 7.272 3.720 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.091 5.975 2.683 1.00 0.00 H new ATOM 0 HG SER A 21 7.020 6.914 1.266 1.00 0.00 H new ATOM 349 N ARG A 22 6.496 9.358 0.598 1.00 0.00 N ATOM 350 CA ARG A 22 7.348 10.526 0.295 1.00 0.00 C ATOM 351 C ARG A 22 6.535 11.813 0.095 1.00 0.00 C ATOM 352 O ARG A 22 6.877 12.832 0.697 1.00 0.00 O ATOM 353 CB ARG A 22 8.228 10.240 -0.926 1.00 0.00 C ATOM 354 CG ARG A 22 9.173 11.406 -1.230 1.00 0.00 C ATOM 355 CD ARG A 22 10.126 11.074 -2.373 1.00 0.00 C ATOM 356 NE ARG A 22 11.331 10.411 -1.845 1.00 0.00 N ATOM 357 CZ ARG A 22 12.255 9.786 -2.576 1.00 0.00 C ATOM 358 NH1 ARG A 22 12.103 9.610 -3.883 1.00 0.00 N ATOM 359 NH2 ARG A 22 13.340 9.291 -1.999 1.00 0.00 N ATOM 0 H ARG A 22 6.517 8.659 -0.145 1.00 0.00 H new ATOM 0 HA ARG A 22 7.987 10.693 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.811 9.336 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.596 10.049 -1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.590 12.290 -1.487 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.747 11.652 -0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.630 10.425 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.404 11.985 -2.902 1.00 0.00 H new ATOM 0 HE ARG A 22 11.470 10.432 -0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.265 9.956 -4.350 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.824 9.129 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.471 9.387 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.044 8.814 -2.562 1.00 0.00 H new ATOM 373 N LEU A 23 5.370 11.685 -0.544 1.00 0.00 N ATOM 374 CA LEU A 23 4.418 12.804 -0.681 1.00 0.00 C ATOM 375 C LEU A 23 3.856 13.298 0.665 1.00 0.00 C ATOM 376 O LEU A 23 3.332 14.402 0.765 1.00 0.00 O ATOM 377 CB LEU A 23 3.280 12.469 -1.652 1.00 0.00 C ATOM 378 CG LEU A 23 3.430 12.951 -3.107 1.00 0.00 C ATOM 379 CD1 LEU A 23 3.613 14.467 -3.206 1.00 0.00 C ATOM 380 CD2 LEU A 23 4.519 12.204 -3.874 1.00 0.00 C ATOM 0 H LEU A 23 5.057 10.817 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 23 4.998 13.627 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.156 11.386 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.358 12.890 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 23 2.485 12.709 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.714 14.754 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.746 14.967 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.510 14.762 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.576 12.589 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.478 12.349 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.281 11.141 -3.901 1.00 0.00 H new ATOM 392 N TYR A 24 4.151 12.551 1.723 1.00 0.00 N ATOM 393 CA TYR A 24 3.826 12.896 3.115 1.00 0.00 C ATOM 394 C TYR A 24 5.061 13.076 4.015 1.00 0.00 C ATOM 395 O TYR A 24 5.117 14.033 4.784 1.00 0.00 O ATOM 396 CB TYR A 24 2.888 11.792 3.613 1.00 0.00 C ATOM 397 CG TYR A 24 2.858 11.568 5.113 1.00 0.00 C ATOM 398 CD1 TYR A 24 2.060 12.380 5.909 1.00 0.00 C ATOM 399 CD2 TYR A 24 3.663 10.582 5.679 1.00 0.00 C ATOM 400 CE1 TYR A 24 2.074 12.209 7.281 1.00 0.00 C ATOM 401 CE2 TYR A 24 3.671 10.415 7.055 1.00 0.00 C ATOM 402 CZ TYR A 24 2.887 11.242 7.845 1.00 0.00 C ATOM 403 OH TYR A 24 2.927 11.124 9.202 1.00 0.00 O ATOM 0 H TYR A 24 4.638 11.659 1.640 1.00 0.00 H new ATOM 0 HA TYR A 24 3.346 13.874 3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.876 12.026 3.281 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.173 10.856 3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.435 13.138 5.460 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.276 9.953 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.452 12.828 7.910 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.282 9.648 7.508 1.00 0.00 H new ATOM 0 HH TYR A 24 2.335 10.396 9.485 1.00 0.00 H new ATOM 413 N PHE A 25 6.059 12.216 3.818 1.00 0.00 N ATOM 414 CA PHE A 25 7.341 12.135 4.539 1.00 0.00 C ATOM 415 C PHE A 25 8.004 13.502 4.698 1.00 0.00 C ATOM 416 O PHE A 25 8.331 13.912 5.810 1.00 0.00 O ATOM 417 CB PHE A 25 8.257 11.185 3.748 1.00 0.00 C ATOM 418 CG PHE A 25 9.610 10.969 4.419 1.00 0.00 C ATOM 419 CD1 PHE A 25 9.666 10.230 5.593 1.00 0.00 C ATOM 420 CD2 PHE A 25 10.762 11.542 3.893 1.00 0.00 C ATOM 421 CE1 PHE A 25 10.877 10.068 6.250 1.00 0.00 C ATOM 422 CE2 PHE A 25 11.975 11.373 4.550 1.00 0.00 C ATOM 423 CZ PHE A 25 12.029 10.638 5.727 1.00 0.00 C ATOM 0 H PHE A 25 5.993 11.499 3.095 1.00 0.00 H new ATOM 0 HA PHE A 25 7.163 11.762 5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.758 10.223 3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.414 11.589 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.769 9.782 5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.715 12.115 2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.923 9.499 7.167 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.875 11.813 4.146 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.972 10.509 6.238 1.00 0.00 H new ATOM 433 N GLY A 26 8.034 14.223 3.570 1.00 0.00 N ATOM 434 CA GLY A 26 8.577 15.589 3.515 1.00 0.00 C ATOM 435 C GLY A 26 7.994 16.398 2.352 1.00 0.00 C ATOM 436 O GLY A 26 8.643 17.294 1.822 1.00 0.00 O ATOM 0 H GLY A 26 7.685 13.880 2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.364 16.101 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.661 15.543 3.416 1.00 0.00 H new ATOM 440 N GLU A 27 6.764 16.063 1.977 1.00 0.00 N ATOM 441 CA GLU A 27 6.068 16.779 0.899 1.00 0.00 C ATOM 442 C GLU A 27 4.753 17.434 1.337 1.00 0.00 C ATOM 443 O GLU A 27 4.203 18.232 0.583 1.00 0.00 O ATOM 444 CB GLU A 27 5.873 15.849 -0.300 1.00 0.00 C ATOM 445 CG GLU A 27 6.452 16.422 -1.594 1.00 0.00 C ATOM 446 CD GLU A 27 7.944 16.730 -1.452 1.00 0.00 C ATOM 447 OE1 GLU A 27 8.735 15.768 -1.577 1.00 0.00 O ATOM 448 OE2 GLU A 27 8.247 17.914 -1.199 1.00 0.00 O ATOM 0 H GLU A 27 6.226 15.305 2.397 1.00 0.00 H new ATOM 0 HA GLU A 27 6.706 17.612 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.345 14.889 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.809 15.658 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.302 15.712 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.915 17.332 -1.862 1.00 0.00 H new ATOM 455 N ARG A 28 4.290 17.085 2.545 1.00 0.00 N ATOM 456 CA ARG A 28 3.015 17.569 3.128 1.00 0.00 C ATOM 457 C ARG A 28 1.836 17.603 2.137 1.00 0.00 C ATOM 458 O ARG A 28 0.918 18.416 2.220 1.00 0.00 O ATOM 459 CB ARG A 28 3.254 18.931 3.783 1.00 0.00 C ATOM 460 CG ARG A 28 3.510 18.771 5.281 1.00 0.00 C ATOM 461 CD ARG A 28 4.490 19.842 5.749 1.00 0.00 C ATOM 462 NE ARG A 28 3.920 20.669 6.827 1.00 0.00 N ATOM 463 CZ ARG A 28 4.601 21.557 7.555 1.00 0.00 C ATOM 464 NH1 ARG A 28 5.906 21.736 7.394 1.00 0.00 N ATOM 465 NH2 ARG A 28 3.988 22.271 8.487 1.00 0.00 N ATOM 0 H ARG A 28 4.794 16.448 3.161 1.00 0.00 H new ATOM 0 HA ARG A 28 2.705 16.844 3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.107 19.422 3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.389 19.574 3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.573 18.855 5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.913 17.780 5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.407 19.368 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.762 20.479 4.907 1.00 0.00 H new ATOM 0 HE ARG A 28 2.928 20.554 7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.414 21.188 6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.401 22.422 7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.989 22.144 8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.514 22.948 9.040 1.00 0.00 H new ATOM 479 N ASN A 29 1.863 16.624 1.246 1.00 0.00 N ATOM 480 CA ASN A 29 0.925 16.509 0.126 1.00 0.00 C ATOM 481 C ASN A 29 0.404 15.069 0.071 1.00 0.00 C ATOM 482 O ASN A 29 0.717 14.257 -0.800 1.00 0.00 O ATOM 483 CB ASN A 29 1.661 16.922 -1.150 1.00 0.00 C ATOM 484 CG ASN A 29 0.682 17.402 -2.219 1.00 0.00 C ATOM 485 OD1 ASN A 29 -0.457 16.965 -2.318 1.00 0.00 O ATOM 486 ND2 ASN A 29 1.149 18.311 -3.044 1.00 0.00 N ATOM 0 H ASN A 29 2.549 15.869 1.277 1.00 0.00 H new ATOM 0 HA ASN A 29 0.061 17.163 0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.373 17.715 -0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.236 16.078 -1.531 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.558 18.672 -3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.103 18.656 -2.936 1.00 0.00 H new ATOM 493 N VAL A 30 -0.407 14.791 1.085 1.00 0.00 N ATOM 494 CA VAL A 30 -1.138 13.513 1.233 1.00 0.00 C ATOM 495 C VAL A 30 -2.067 13.272 0.018 1.00 0.00 C ATOM 496 O VAL A 30 -2.126 12.168 -0.515 1.00 0.00 O ATOM 497 CB VAL A 30 -1.869 13.484 2.592 1.00 0.00 C ATOM 498 CG1 VAL A 30 -2.602 12.164 2.832 1.00 0.00 C ATOM 499 CG2 VAL A 30 -0.896 13.663 3.763 1.00 0.00 C ATOM 0 H VAL A 30 -0.586 15.448 1.844 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.436 12.679 1.238 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.581 14.308 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.100 12.195 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.344 12.012 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.886 11.342 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.448 13.637 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.161 12.858 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.386 14.621 3.669 1.00 0.00 H new ATOM 509 N LYS A 31 -2.575 14.355 -0.569 1.00 0.00 N ATOM 510 CA LYS A 31 -3.292 14.322 -1.862 1.00 0.00 C ATOM 511 C LYS A 31 -2.434 13.687 -2.980 1.00 0.00 C ATOM 512 O LYS A 31 -2.923 12.891 -3.779 1.00 0.00 O ATOM 513 CB LYS A 31 -3.722 15.776 -2.145 1.00 0.00 C ATOM 514 CG LYS A 31 -4.142 16.191 -3.565 1.00 0.00 C ATOM 515 CD LYS A 31 -2.918 16.323 -4.477 1.00 0.00 C ATOM 516 CE LYS A 31 -3.108 17.242 -5.677 1.00 0.00 C ATOM 517 NZ LYS A 31 -2.031 16.983 -6.642 1.00 0.00 N ATOM 0 H LYS A 31 -2.505 15.289 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.173 13.681 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.556 16.002 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.895 16.422 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.830 15.452 -3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.678 17.139 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.080 16.691 -3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.643 15.332 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.080 17.065 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.090 18.285 -5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.148 17.604 -7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.111 17.171 -6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.070 15.990 -6.948 1.00 0.00 H new ATOM 531 N GLY A 32 -1.142 14.046 -3.001 1.00 0.00 N ATOM 532 CA GLY A 32 -0.165 13.563 -3.998 1.00 0.00 C ATOM 533 C GLY A 32 0.048 12.049 -3.915 1.00 0.00 C ATOM 534 O GLY A 32 -0.228 11.322 -4.867 1.00 0.00 O ATOM 0 H GLY A 32 -0.737 14.688 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.510 13.825 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.787 14.071 -3.846 1.00 0.00 H new ATOM 538 N MET A 33 0.365 11.575 -2.712 1.00 0.00 N ATOM 539 CA MET A 33 0.531 10.130 -2.457 1.00 0.00 C ATOM 540 C MET A 33 -0.729 9.325 -2.776 1.00 0.00 C ATOM 541 O MET A 33 -0.661 8.166 -3.180 1.00 0.00 O ATOM 542 CB MET A 33 0.894 9.838 -1.008 1.00 0.00 C ATOM 543 CG MET A 33 -0.187 10.090 0.041 1.00 0.00 C ATOM 544 SD MET A 33 -0.100 8.897 1.412 1.00 0.00 S ATOM 545 CE MET A 33 1.571 9.234 1.909 1.00 0.00 C ATOM 0 H MET A 33 0.514 12.164 -1.893 1.00 0.00 H new ATOM 0 HA MET A 33 1.342 9.828 -3.120 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.197 8.793 -0.938 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.765 10.440 -0.749 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.082 11.101 0.434 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.169 10.031 -0.429 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.163 8.322 1.837 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.998 9.996 1.257 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.579 9.592 2.939 1.00 0.00 H new ATOM 555 N PHE A 34 -1.857 10.008 -2.628 1.00 0.00 N ATOM 556 CA PHE A 34 -3.181 9.465 -2.915 1.00 0.00 C ATOM 557 C PHE A 34 -3.326 9.111 -4.395 1.00 0.00 C ATOM 558 O PHE A 34 -4.105 8.227 -4.704 1.00 0.00 O ATOM 559 CB PHE A 34 -4.238 10.493 -2.522 1.00 0.00 C ATOM 560 CG PHE A 34 -5.460 9.903 -1.827 1.00 0.00 C ATOM 561 CD1 PHE A 34 -5.859 8.576 -1.983 1.00 0.00 C ATOM 562 CD2 PHE A 34 -6.181 10.753 -0.998 1.00 0.00 C ATOM 563 CE1 PHE A 34 -6.982 8.110 -1.315 1.00 0.00 C ATOM 564 CE2 PHE A 34 -7.308 10.285 -0.337 1.00 0.00 C ATOM 565 CZ PHE A 34 -7.707 8.966 -0.498 1.00 0.00 C ATOM 0 H PHE A 34 -1.879 10.973 -2.299 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.315 8.550 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.782 11.232 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.564 11.022 -3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.295 7.913 -2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.865 11.777 -0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.292 7.082 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.874 10.947 0.302 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.586 8.604 0.015 1.00 0.00 H new ATOM 575 N GLU A 35 -2.485 9.668 -5.265 1.00 0.00 N ATOM 576 CA GLU A 35 -2.450 9.350 -6.705 1.00 0.00 C ATOM 577 C GLU A 35 -1.749 8.014 -6.988 1.00 0.00 C ATOM 578 O GLU A 35 -2.081 7.346 -7.965 1.00 0.00 O ATOM 579 CB GLU A 35 -1.718 10.474 -7.446 1.00 0.00 C ATOM 580 CG GLU A 35 -1.853 10.392 -8.972 1.00 0.00 C ATOM 581 CD GLU A 35 -3.085 11.113 -9.532 1.00 0.00 C ATOM 582 OE1 GLU A 35 -4.151 11.088 -8.879 1.00 0.00 O ATOM 583 OE2 GLU A 35 -2.906 11.725 -10.605 1.00 0.00 O ATOM 0 H GLU A 35 -1.794 10.366 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.479 9.261 -7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.105 11.435 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.661 10.445 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.959 10.816 -9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.894 9.343 -9.266 1.00 0.00 H new ATOM 590 N VAL A 36 -0.735 7.677 -6.189 1.00 0.00 N ATOM 591 CA VAL A 36 0.017 6.412 -6.330 1.00 0.00 C ATOM 592 C VAL A 36 -0.558 5.307 -5.423 1.00 0.00 C ATOM 593 O VAL A 36 -0.766 4.183 -5.884 1.00 0.00 O ATOM 594 CB VAL A 36 1.535 6.675 -6.199 1.00 0.00 C ATOM 595 CG1 VAL A 36 1.944 7.222 -4.835 1.00 0.00 C ATOM 596 CG2 VAL A 36 2.378 5.454 -6.579 1.00 0.00 C ATOM 0 H VAL A 36 -0.406 8.267 -5.425 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.114 6.009 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 36 1.746 7.461 -6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.022 7.382 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.433 8.168 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.670 6.507 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.436 5.694 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.125 4.619 -5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.174 5.179 -7.614 1.00 0.00 H new ATOM 606 N LEU A 37 -1.036 5.714 -4.247 1.00 0.00 N ATOM 607 CA LEU A 37 -1.843 4.879 -3.344 1.00 0.00 C ATOM 608 C LEU A 37 -3.290 4.689 -3.819 1.00 0.00 C ATOM 609 O LEU A 37 -3.942 3.768 -3.356 1.00 0.00 O ATOM 610 CB LEU A 37 -1.795 5.371 -1.889 1.00 0.00 C ATOM 611 CG LEU A 37 -0.550 4.917 -1.114 1.00 0.00 C ATOM 612 CD1 LEU A 37 -0.444 5.719 0.178 1.00 0.00 C ATOM 613 CD2 LEU A 37 -0.618 3.445 -0.705 1.00 0.00 C ATOM 0 H LEU A 37 -0.872 6.653 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.375 3.895 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.836 6.460 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.684 5.016 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 37 0.302 5.070 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.439 5.401 0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.361 6.780 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.334 5.551 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.287 3.177 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.487 3.284 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.703 2.823 -1.596 1.00 0.00 H new ATOM 625 N GLU A 38 -3.791 5.457 -4.786 1.00 0.00 N ATOM 626 CA GLU A 38 -5.114 5.198 -5.404 1.00 0.00 C ATOM 627 C GLU A 38 -5.113 3.892 -6.220 1.00 0.00 C ATOM 628 O GLU A 38 -5.815 2.954 -5.826 1.00 0.00 O ATOM 629 CB GLU A 38 -5.653 6.414 -6.189 1.00 0.00 C ATOM 630 CG GLU A 38 -6.632 6.136 -7.336 1.00 0.00 C ATOM 631 CD GLU A 38 -7.172 7.397 -8.016 1.00 0.00 C ATOM 632 OE1 GLU A 38 -6.431 8.400 -8.114 1.00 0.00 O ATOM 633 OE2 GLU A 38 -8.338 7.297 -8.449 1.00 0.00 O ATOM 0 H GLU A 38 -3.307 6.270 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.825 5.049 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.145 7.081 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.800 6.956 -6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.134 5.518 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.471 5.556 -6.951 1.00 0.00 H new ATOM 640 N PRO A 39 -4.322 3.789 -7.306 1.00 0.00 N ATOM 641 CA PRO A 39 -4.352 2.610 -8.172 1.00 0.00 C ATOM 642 C PRO A 39 -3.700 1.421 -7.469 1.00 0.00 C ATOM 643 O PRO A 39 -4.349 0.386 -7.419 1.00 0.00 O ATOM 644 CB PRO A 39 -3.653 3.048 -9.457 1.00 0.00 C ATOM 645 CG PRO A 39 -2.591 4.027 -8.971 1.00 0.00 C ATOM 646 CD PRO A 39 -3.254 4.696 -7.767 1.00 0.00 C ATOM 0 HA PRO A 39 -5.358 2.261 -8.406 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.209 2.201 -9.980 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.348 3.522 -10.150 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.670 3.515 -8.690 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.330 4.753 -9.741 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.527 4.871 -6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.665 5.667 -8.043 1.00 0.00 H new ATOM 654 N LEU A 40 -2.651 1.646 -6.671 1.00 0.00 N ATOM 655 CA LEU A 40 -2.051 0.557 -5.881 1.00 0.00 C ATOM 656 C LEU A 40 -3.014 0.010 -4.805 1.00 0.00 C ATOM 657 O LEU A 40 -2.954 -1.169 -4.475 1.00 0.00 O ATOM 658 CB LEU A 40 -0.660 0.965 -5.367 1.00 0.00 C ATOM 659 CG LEU A 40 -0.550 1.548 -3.957 1.00 0.00 C ATOM 660 CD1 LEU A 40 -0.452 0.455 -2.899 1.00 0.00 C ATOM 661 CD2 LEU A 40 0.727 2.359 -3.881 1.00 0.00 C ATOM 0 H LEU A 40 -2.203 2.555 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.884 -0.300 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.017 0.086 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.250 1.697 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.440 2.148 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.375 0.910 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.342 -0.173 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.432 -0.155 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.828 2.786 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.581 1.714 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.692 3.162 -4.617 1.00 0.00 H new ATOM 673 N HIS A 41 -3.968 0.830 -4.359 1.00 0.00 N ATOM 674 CA HIS A 41 -5.042 0.366 -3.453 1.00 0.00 C ATOM 675 C HIS A 41 -6.119 -0.493 -4.135 1.00 0.00 C ATOM 676 O HIS A 41 -6.626 -1.445 -3.548 1.00 0.00 O ATOM 677 CB HIS A 41 -5.724 1.520 -2.713 1.00 0.00 C ATOM 678 CG HIS A 41 -4.955 2.060 -1.501 1.00 0.00 C ATOM 679 ND1 HIS A 41 -5.313 3.153 -0.828 1.00 0.00 N ATOM 680 CD2 HIS A 41 -3.889 1.539 -0.884 1.00 0.00 C ATOM 681 CE1 HIS A 41 -4.488 3.287 0.206 1.00 0.00 C ATOM 682 NE2 HIS A 41 -3.609 2.284 0.181 1.00 0.00 N ATOM 0 H HIS A 41 -4.026 1.818 -4.605 1.00 0.00 H new ATOM 0 HA HIS A 41 -4.518 -0.268 -2.738 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.884 2.338 -3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.708 1.188 -2.381 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -6.084 3.777 -1.065 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.346 0.660 -1.198 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -4.524 4.076 0.943 1.00 0.00 H new ATOM 690 N ALA A 42 -6.427 -0.177 -5.390 1.00 0.00 N ATOM 691 CA ALA A 42 -7.400 -0.949 -6.192 1.00 0.00 C ATOM 692 C ALA A 42 -6.760 -2.184 -6.850 1.00 0.00 C ATOM 693 O ALA A 42 -7.275 -3.295 -6.732 1.00 0.00 O ATOM 694 CB ALA A 42 -8.041 -0.041 -7.244 1.00 0.00 C ATOM 0 H ALA A 42 -6.018 0.614 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.172 -1.318 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.757 -0.615 -7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.555 0.783 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.268 0.357 -7.901 1.00 0.00 H new ATOM 700 N MET A 43 -5.514 -1.999 -7.285 1.00 0.00 N ATOM 701 CA MET A 43 -4.632 -3.044 -7.833 1.00 0.00 C ATOM 702 C MET A 43 -4.266 -4.110 -6.802 1.00 0.00 C ATOM 703 O MET A 43 -3.694 -5.118 -7.178 1.00 0.00 O ATOM 704 CB MET A 43 -3.345 -2.432 -8.398 1.00 0.00 C ATOM 705 CG MET A 43 -3.619 -1.770 -9.746 1.00 0.00 C ATOM 706 SD MET A 43 -2.327 -0.571 -10.227 1.00 0.00 S ATOM 707 CE MET A 43 -3.121 0.098 -11.673 1.00 0.00 C ATOM 0 H MET A 43 -5.068 -1.082 -7.267 1.00 0.00 H new ATOM 0 HA MET A 43 -5.197 -3.527 -8.631 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.947 -1.697 -7.699 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.586 -3.206 -8.513 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.697 -2.540 -10.514 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.582 -1.261 -9.706 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.482 0.860 -12.120 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.294 -0.700 -12.395 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.074 0.545 -11.391 1.00 0.00 H new ATOM 717 N MET A 44 -4.569 -3.882 -5.529 1.00 0.00 N ATOM 718 CA MET A 44 -4.368 -4.907 -4.490 1.00 0.00 C ATOM 719 C MET A 44 -5.657 -5.634 -4.089 1.00 0.00 C ATOM 720 O MET A 44 -5.604 -6.732 -3.538 1.00 0.00 O ATOM 721 CB MET A 44 -3.667 -4.297 -3.280 1.00 0.00 C ATOM 722 CG MET A 44 -4.491 -3.347 -2.422 1.00 0.00 C ATOM 723 SD MET A 44 -5.004 -4.160 -0.875 1.00 0.00 S ATOM 724 CE MET A 44 -5.326 -2.626 -0.058 1.00 0.00 C ATOM 0 H MET A 44 -4.954 -3.003 -5.184 1.00 0.00 H new ATOM 0 HA MET A 44 -3.728 -5.676 -4.922 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.314 -5.110 -2.645 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.785 -3.761 -3.631 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.907 -2.455 -2.194 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.371 -3.019 -2.976 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.883 -2.813 0.860 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.382 -2.137 0.183 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.912 -1.981 -0.713 1.00 0.00 H new ATOM 734 N GLU A 45 -6.790 -4.991 -4.371 1.00 0.00 N ATOM 735 CA GLU A 45 -8.126 -5.537 -4.090 1.00 0.00 C ATOM 736 C GLU A 45 -8.675 -6.367 -5.259 1.00 0.00 C ATOM 737 O GLU A 45 -9.318 -7.379 -4.999 1.00 0.00 O ATOM 738 CB GLU A 45 -9.075 -4.393 -3.714 1.00 0.00 C ATOM 739 CG GLU A 45 -10.313 -4.893 -2.957 1.00 0.00 C ATOM 740 CD GLU A 45 -11.518 -5.163 -3.863 1.00 0.00 C ATOM 741 OE1 GLU A 45 -12.255 -4.183 -4.102 1.00 0.00 O ATOM 742 OE2 GLU A 45 -11.727 -6.336 -4.239 1.00 0.00 O ATOM 0 H GLU A 45 -6.811 -4.068 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.045 -6.224 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.542 -3.669 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.390 -3.872 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.057 -5.809 -2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.592 -4.154 -2.206 1.00 0.00 H new ATOM 749 N ARG A 46 -8.302 -6.014 -6.496 1.00 0.00 N ATOM 750 CA ARG A 46 -8.698 -6.723 -7.737 1.00 0.00 C ATOM 751 C ARG A 46 -8.541 -8.253 -7.625 1.00 0.00 C ATOM 752 O ARG A 46 -9.377 -9.008 -8.120 1.00 0.00 O ATOM 753 CB ARG A 46 -7.828 -6.199 -8.886 1.00 0.00 C ATOM 754 CG ARG A 46 -8.633 -5.868 -10.147 1.00 0.00 C ATOM 755 CD ARG A 46 -8.376 -6.859 -11.285 1.00 0.00 C ATOM 756 NE ARG A 46 -8.909 -6.303 -12.545 1.00 0.00 N ATOM 757 CZ ARG A 46 -8.956 -6.915 -13.732 1.00 0.00 C ATOM 758 NH1 ARG A 46 -8.566 -8.172 -13.890 1.00 0.00 N ATOM 759 NH2 ARG A 46 -9.439 -6.280 -14.791 1.00 0.00 N ATOM 0 H ARG A 46 -7.702 -5.209 -6.674 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.755 -6.528 -7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.299 -5.305 -8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.072 -6.945 -9.130 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.696 -5.866 -9.905 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.380 -4.862 -10.482 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.307 -7.050 -11.382 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.852 -7.814 -11.065 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.280 -5.354 -12.505 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.217 -8.702 -13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.615 -8.609 -14.810 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.776 -5.322 -14.701 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.473 -6.750 -15.696 1.00 0.00 H new ATOM 773 N GLY A 47 -7.524 -8.651 -6.853 1.00 0.00 N ATOM 774 CA GLY A 47 -7.273 -10.064 -6.540 1.00 0.00 C ATOM 775 C GLY A 47 -5.953 -10.538 -7.163 1.00 0.00 C ATOM 776 O GLY A 47 -5.538 -10.008 -8.196 1.00 0.00 O ATOM 0 H GLY A 47 -6.855 -8.008 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.239 -10.200 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.095 -10.675 -6.913 1.00 0.00 H new ATOM 780 N PRO A 48 -5.239 -11.443 -6.482 1.00 0.00 N ATOM 781 CA PRO A 48 -4.004 -12.019 -7.035 1.00 0.00 C ATOM 782 C PRO A 48 -4.301 -12.879 -8.268 1.00 0.00 C ATOM 783 O PRO A 48 -5.450 -13.142 -8.609 1.00 0.00 O ATOM 784 CB PRO A 48 -3.422 -12.836 -5.889 1.00 0.00 C ATOM 785 CG PRO A 48 -4.644 -13.260 -5.073 1.00 0.00 C ATOM 786 CD PRO A 48 -5.563 -12.043 -5.169 1.00 0.00 C ATOM 0 HA PRO A 48 -3.304 -11.260 -7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.869 -13.700 -6.257 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.729 -12.245 -5.290 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.114 -14.153 -5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.380 -13.486 -4.040 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.613 -12.332 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.380 -11.341 -4.355 1.00 0.00 H new ATOM 794 N GLN A 49 -3.222 -13.350 -8.879 1.00 0.00 N ATOM 795 CA GLN A 49 -3.307 -14.183 -10.091 1.00 0.00 C ATOM 796 C GLN A 49 -2.692 -15.569 -9.820 1.00 0.00 C ATOM 797 O GLN A 49 -3.326 -16.417 -9.204 1.00 0.00 O ATOM 798 CB GLN A 49 -2.670 -13.405 -11.258 1.00 0.00 C ATOM 799 CG GLN A 49 -2.547 -14.246 -12.535 1.00 0.00 C ATOM 800 CD GLN A 49 -3.469 -13.832 -13.678 1.00 0.00 C ATOM 801 OE1 GLN A 49 -4.569 -13.327 -13.531 1.00 0.00 O ATOM 802 NE2 GLN A 49 -2.992 -14.092 -14.872 1.00 0.00 N ATOM 0 H GLN A 49 -2.269 -13.173 -8.560 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.339 -14.385 -10.377 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.269 -12.519 -11.468 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.681 -13.058 -10.960 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.516 -14.197 -12.885 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.749 -15.288 -12.286 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.069 -14.515 -14.972 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.544 -13.871 -15.701 1.00 0.00 H new ATOM 811 N THR A 50 -1.393 -15.665 -10.104 1.00 0.00 N ATOM 812 CA THR A 50 -0.538 -16.858 -9.956 1.00 0.00 C ATOM 813 C THR A 50 -0.577 -17.383 -8.509 1.00 0.00 C ATOM 814 O THR A 50 -1.470 -18.142 -8.151 1.00 0.00 O ATOM 815 CB THR A 50 0.889 -16.562 -10.493 1.00 0.00 C ATOM 816 OG1 THR A 50 1.810 -17.569 -10.057 1.00 0.00 O ATOM 817 CG2 THR A 50 1.412 -15.159 -10.134 1.00 0.00 C ATOM 0 H THR A 50 -0.871 -14.867 -10.466 1.00 0.00 H new ATOM 0 HA THR A 50 -0.926 -17.673 -10.567 1.00 0.00 H new ATOM 0 HB THR A 50 0.811 -16.584 -11.580 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.704 -17.368 -10.406 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.413 -15.028 -10.544 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.747 -14.404 -10.554 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.447 -15.050 -9.050 1.00 0.00 H new ATOM 825 N LEU A 51 0.368 -16.892 -7.709 1.00 0.00 N ATOM 826 CA LEU A 51 0.562 -17.198 -6.273 1.00 0.00 C ATOM 827 C LEU A 51 1.841 -16.526 -5.735 1.00 0.00 C ATOM 828 O LEU A 51 2.646 -17.092 -5.002 1.00 0.00 O ATOM 829 CB LEU A 51 0.622 -18.721 -6.085 1.00 0.00 C ATOM 830 CG LEU A 51 -0.179 -19.202 -4.871 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.656 -18.792 -4.934 1.00 0.00 C ATOM 832 CD2 LEU A 51 -0.079 -20.726 -4.810 1.00 0.00 C ATOM 0 H LEU A 51 1.064 -16.231 -8.055 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.279 -16.800 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.241 -19.208 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.662 -19.028 -5.973 1.00 0.00 H new ATOM 0 HG LEU A 51 0.241 -18.735 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.174 -19.160 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.731 -17.705 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.114 -19.219 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.642 -21.094 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.490 -21.154 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.966 -21.018 -4.710 1.00 0.00 H new ATOM 844 N LYS A 52 2.045 -15.304 -6.211 1.00 0.00 N ATOM 845 CA LYS A 52 3.252 -14.506 -5.912 1.00 0.00 C ATOM 846 C LYS A 52 2.890 -13.155 -5.268 1.00 0.00 C ATOM 847 O LYS A 52 3.425 -12.763 -4.232 1.00 0.00 O ATOM 848 CB LYS A 52 4.033 -14.333 -7.222 1.00 0.00 C ATOM 849 CG LYS A 52 4.568 -15.656 -7.779 1.00 0.00 C ATOM 850 CD LYS A 52 6.064 -15.777 -7.507 1.00 0.00 C ATOM 851 CE LYS A 52 6.542 -17.227 -7.529 1.00 0.00 C ATOM 852 NZ LYS A 52 7.984 -17.271 -7.252 1.00 0.00 N ATOM 0 H LYS A 52 1.381 -14.826 -6.820 1.00 0.00 H new ATOM 0 HA LYS A 52 3.875 -15.022 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.386 -13.867 -7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.867 -13.652 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.039 -16.492 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.381 -15.709 -8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.614 -15.204 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.291 -15.337 -6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.000 -17.811 -6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.334 -17.675 -8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.310 -18.258 -7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.494 -16.727 -7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.170 -16.859 -6.316 1.00 0.00 H new ATOM 866 N GLU A 53 1.847 -12.532 -5.813 1.00 0.00 N ATOM 867 CA GLU A 53 1.284 -11.247 -5.351 1.00 0.00 C ATOM 868 C GLU A 53 0.286 -11.439 -4.185 1.00 0.00 C ATOM 869 O GLU A 53 -0.784 -10.833 -4.157 1.00 0.00 O ATOM 870 CB GLU A 53 0.594 -10.616 -6.563 1.00 0.00 C ATOM 871 CG GLU A 53 1.537 -10.281 -7.721 1.00 0.00 C ATOM 872 CD GLU A 53 0.815 -10.445 -9.058 1.00 0.00 C ATOM 873 OE1 GLU A 53 0.342 -11.582 -9.289 1.00 0.00 O ATOM 874 OE2 GLU A 53 0.949 -9.519 -9.887 1.00 0.00 O ATOM 0 H GLU A 53 1.347 -12.914 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 53 2.074 -10.604 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.177 -11.297 -6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.090 -9.704 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.900 -9.258 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.410 -10.934 -7.689 1.00 0.00 H new ATOM 881 N THR A 54 0.730 -12.194 -3.175 1.00 0.00 N ATOM 882 CA THR A 54 -0.089 -12.619 -2.008 1.00 0.00 C ATOM 883 C THR A 54 0.823 -12.960 -0.813 1.00 0.00 C ATOM 884 O THR A 54 0.713 -13.995 -0.161 1.00 0.00 O ATOM 885 CB THR A 54 -1.009 -13.816 -2.364 1.00 0.00 C ATOM 886 OG1 THR A 54 -1.723 -13.500 -3.553 1.00 0.00 O ATOM 887 CG2 THR A 54 -2.050 -14.155 -1.290 1.00 0.00 C ATOM 0 H THR A 54 1.688 -12.540 -3.134 1.00 0.00 H new ATOM 0 HA THR A 54 -0.735 -11.787 -1.727 1.00 0.00 H new ATOM 0 HB THR A 54 -0.352 -14.680 -2.469 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.308 -14.249 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.650 -15.003 -1.620 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.543 -14.409 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.698 -13.294 -1.126 1.00 0.00 H new ATOM 895 N SER A 55 1.712 -12.020 -0.505 1.00 0.00 N ATOM 896 CA SER A 55 2.614 -12.125 0.665 1.00 0.00 C ATOM 897 C SER A 55 2.082 -11.288 1.835 1.00 0.00 C ATOM 898 O SER A 55 1.952 -11.759 2.964 1.00 0.00 O ATOM 899 CB SER A 55 4.051 -11.671 0.356 1.00 0.00 C ATOM 900 OG SER A 55 4.679 -12.479 -0.643 1.00 0.00 O ATOM 0 H SER A 55 1.836 -11.165 -1.048 1.00 0.00 H new ATOM 0 HA SER A 55 2.639 -13.182 0.929 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.037 -10.633 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.643 -11.704 1.270 1.00 0.00 H new ATOM 0 HG SER A 55 5.588 -12.151 -0.806 1.00 0.00 H new ATOM 906 N PHE A 56 1.533 -10.128 1.472 1.00 0.00 N ATOM 907 CA PHE A 56 0.898 -9.197 2.413 1.00 0.00 C ATOM 908 C PHE A 56 -0.526 -9.637 2.762 1.00 0.00 C ATOM 909 O PHE A 56 -0.819 -9.868 3.923 1.00 0.00 O ATOM 910 CB PHE A 56 0.924 -7.759 1.869 1.00 0.00 C ATOM 911 CG PHE A 56 0.123 -7.603 0.584 1.00 0.00 C ATOM 912 CD1 PHE A 56 0.727 -7.874 -0.640 1.00 0.00 C ATOM 913 CD2 PHE A 56 -1.237 -7.314 0.652 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.037 -7.848 -1.800 1.00 0.00 C ATOM 915 CE2 PHE A 56 -1.995 -7.297 -0.510 1.00 0.00 C ATOM 916 CZ PHE A 56 -1.393 -7.561 -1.731 1.00 0.00 C ATOM 0 H PHE A 56 1.515 -9.802 0.506 1.00 0.00 H new ATOM 0 HA PHE A 56 1.477 -9.213 3.336 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.526 -7.082 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.957 -7.462 1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.781 -8.103 -0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.700 -7.104 1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.424 -8.051 -2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.052 -7.079 -0.464 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.984 -7.543 -2.635 1.00 0.00 H new ATOM 926 N ASN A 57 -1.299 -10.059 1.764 1.00 0.00 N ATOM 927 CA ASN A 57 -2.677 -10.526 1.996 1.00 0.00 C ATOM 928 C ASN A 57 -2.735 -11.861 2.766 1.00 0.00 C ATOM 929 O ASN A 57 -3.796 -12.285 3.220 1.00 0.00 O ATOM 930 CB ASN A 57 -3.389 -10.605 0.645 1.00 0.00 C ATOM 931 CG ASN A 57 -4.873 -10.278 0.813 1.00 0.00 C ATOM 932 OD1 ASN A 57 -5.263 -9.159 1.110 1.00 0.00 O ATOM 933 ND2 ASN A 57 -5.713 -11.279 0.679 1.00 0.00 N ATOM 0 H ASN A 57 -1.003 -10.090 0.788 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.191 -9.812 2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.932 -9.907 -0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.274 -11.603 0.223 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.712 -11.130 0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.367 -12.206 0.430 1.00 0.00 H new ATOM 940 N GLN A 58 -1.567 -12.491 2.904 1.00 0.00 N ATOM 941 CA GLN A 58 -1.382 -13.756 3.626 1.00 0.00 C ATOM 942 C GLN A 58 -1.314 -13.548 5.150 1.00 0.00 C ATOM 943 O GLN A 58 -2.118 -14.119 5.885 1.00 0.00 O ATOM 944 CB GLN A 58 -0.112 -14.439 3.105 1.00 0.00 C ATOM 945 CG GLN A 58 -0.369 -15.893 2.696 1.00 0.00 C ATOM 946 CD GLN A 58 -0.967 -16.717 3.842 1.00 0.00 C ATOM 947 OE1 GLN A 58 -0.339 -16.988 4.854 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.236 -17.038 3.734 1.00 0.00 N ATOM 0 H GLN A 58 -0.700 -12.128 2.507 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.246 -14.394 3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.273 -13.884 2.249 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.658 -14.410 3.876 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.047 -15.915 1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.567 -16.349 2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.750 -16.806 2.884 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.707 -17.519 4.500 1.00 0.00 H new ATOM 957 N ALA A 59 -0.399 -12.681 5.593 1.00 0.00 N ATOM 958 CA ALA A 59 -0.238 -12.337 7.023 1.00 0.00 C ATOM 959 C ALA A 59 -0.527 -10.858 7.333 1.00 0.00 C ATOM 960 O ALA A 59 -1.274 -10.521 8.251 1.00 0.00 O ATOM 961 CB ALA A 59 1.179 -12.701 7.476 1.00 0.00 C ATOM 0 H ALA A 59 0.253 -12.195 4.978 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.978 -12.915 7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.300 -12.449 8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.342 -13.770 7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.905 -12.144 6.883 1.00 0.00 H new ATOM 967 N TYR A 60 0.012 -9.988 6.486 1.00 0.00 N ATOM 968 CA TYR A 60 -0.161 -8.520 6.489 1.00 0.00 C ATOM 969 C TYR A 60 -1.555 -8.061 6.002 1.00 0.00 C ATOM 970 O TYR A 60 -1.720 -7.022 5.353 1.00 0.00 O ATOM 971 CB TYR A 60 0.955 -7.896 5.629 1.00 0.00 C ATOM 972 CG TYR A 60 2.373 -8.441 5.817 1.00 0.00 C ATOM 973 CD1 TYR A 60 2.761 -9.133 6.965 1.00 0.00 C ATOM 974 CD2 TYR A 60 3.277 -8.321 4.766 1.00 0.00 C ATOM 975 CE1 TYR A 60 4.019 -9.705 7.042 1.00 0.00 C ATOM 976 CE2 TYR A 60 4.544 -8.878 4.849 1.00 0.00 C ATOM 977 CZ TYR A 60 4.904 -9.585 5.985 1.00 0.00 C ATOM 978 OH TYR A 60 6.142 -10.141 6.089 1.00 0.00 O ATOM 0 H TYR A 60 0.621 -10.297 5.728 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.090 -8.176 7.521 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.682 -8.019 4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.976 -6.825 5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.077 -9.223 7.796 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.988 -7.787 3.873 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.311 -10.247 7.930 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.244 -8.762 4.035 1.00 0.00 H new ATOM 0 HH TYR A 60 6.646 -9.973 5.266 1.00 0.00 H new ATOM 988 N GLY A 61 -2.568 -8.802 6.472 1.00 0.00 N ATOM 989 CA GLY A 61 -4.005 -8.547 6.220 1.00 0.00 C ATOM 990 C GLY A 61 -4.529 -7.305 6.961 1.00 0.00 C ATOM 991 O GLY A 61 -5.654 -6.855 6.763 1.00 0.00 O ATOM 0 H GLY A 61 -2.412 -9.623 7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.164 -8.420 5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.583 -9.418 6.527 1.00 0.00 H new ATOM 995 N ARG A 62 -3.713 -6.813 7.887 1.00 0.00 N ATOM 996 CA ARG A 62 -3.988 -5.581 8.650 1.00 0.00 C ATOM 997 C ARG A 62 -3.345 -4.318 8.059 1.00 0.00 C ATOM 998 O ARG A 62 -3.754 -3.206 8.373 1.00 0.00 O ATOM 999 CB ARG A 62 -3.539 -5.778 10.099 1.00 0.00 C ATOM 1000 CG ARG A 62 -4.486 -6.699 10.873 1.00 0.00 C ATOM 1001 CD ARG A 62 -5.870 -6.058 11.056 1.00 0.00 C ATOM 1002 NE ARG A 62 -6.642 -6.792 12.073 1.00 0.00 N ATOM 1003 CZ ARG A 62 -6.418 -6.798 13.392 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -5.453 -6.076 13.949 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -7.186 -7.522 14.190 1.00 0.00 N ATOM 0 H ARG A 62 -2.830 -7.257 8.139 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.063 -5.412 8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.533 -6.198 10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.487 -4.810 10.597 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.589 -7.645 10.342 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.057 -6.926 11.849 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.759 -5.016 11.356 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.408 -6.062 10.108 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.426 -7.352 11.738 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.853 -5.491 13.367 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.312 -6.106 14.959 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.949 -8.075 13.800 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.015 -7.527 15.196 1.00 0.00 H new ATOM 1019 N ASP A 63 -2.374 -4.533 7.176 1.00 0.00 N ATOM 1020 CA ASP A 63 -1.569 -3.487 6.511 1.00 0.00 C ATOM 1021 C ASP A 63 -2.421 -2.829 5.408 1.00 0.00 C ATOM 1022 O ASP A 63 -3.569 -2.492 5.674 1.00 0.00 O ATOM 1023 CB ASP A 63 -0.273 -4.129 5.987 1.00 0.00 C ATOM 1024 CG ASP A 63 0.550 -4.802 7.094 1.00 0.00 C ATOM 1025 OD1 ASP A 63 0.044 -5.789 7.666 1.00 0.00 O ATOM 1026 OD2 ASP A 63 1.679 -4.332 7.341 1.00 0.00 O ATOM 0 H ASP A 63 -2.108 -5.474 6.886 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.279 -2.694 7.200 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.522 -4.868 5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.335 -3.365 5.503 1.00 0.00 H new ATOM 1031 N LEU A 64 -1.845 -2.570 4.235 1.00 0.00 N ATOM 1032 CA LEU A 64 -2.554 -2.159 3.003 1.00 0.00 C ATOM 1033 C LEU A 64 -4.057 -2.470 2.931 1.00 0.00 C ATOM 1034 O LEU A 64 -4.845 -1.541 2.821 1.00 0.00 O ATOM 1035 CB LEU A 64 -1.844 -2.741 1.789 1.00 0.00 C ATOM 1036 CG LEU A 64 -0.992 -1.661 1.131 1.00 0.00 C ATOM 1037 CD1 LEU A 64 0.499 -1.967 1.268 1.00 0.00 C ATOM 1038 CD2 LEU A 64 -1.421 -1.563 -0.326 1.00 0.00 C ATOM 0 H LEU A 64 -0.836 -2.640 4.101 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.513 -1.070 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.217 -3.581 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.574 -3.127 1.078 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.145 -0.702 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.078 -1.178 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.764 -2.021 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.720 -2.921 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.830 -0.797 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.264 -2.523 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.477 -1.298 -0.377 1.00 0.00 H new ATOM 1050 N MET A 65 -4.422 -3.717 3.220 1.00 0.00 N ATOM 1051 CA MET A 65 -5.830 -4.174 3.293 1.00 0.00 C ATOM 1052 C MET A 65 -6.734 -3.197 4.077 1.00 0.00 C ATOM 1053 O MET A 65 -7.612 -2.565 3.497 1.00 0.00 O ATOM 1054 CB MET A 65 -5.814 -5.574 3.910 1.00 0.00 C ATOM 1055 CG MET A 65 -7.190 -6.238 3.877 1.00 0.00 C ATOM 1056 SD MET A 65 -7.151 -7.990 4.395 1.00 0.00 S ATOM 1057 CE MET A 65 -8.690 -8.516 3.679 1.00 0.00 C ATOM 0 H MET A 65 -3.748 -4.457 3.415 1.00 0.00 H new ATOM 0 HA MET A 65 -6.265 -4.204 2.294 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.099 -6.197 3.373 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.469 -5.510 4.942 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.869 -5.687 4.529 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.595 -6.173 2.867 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.847 -9.574 3.890 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.507 -7.935 4.106 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.661 -8.362 2.600 1.00 0.00 H new ATOM 1067 N GLU A 66 -6.307 -2.867 5.295 1.00 0.00 N ATOM 1068 CA GLU A 66 -6.965 -1.850 6.141 1.00 0.00 C ATOM 1069 C GLU A 66 -6.484 -0.415 5.863 1.00 0.00 C ATOM 1070 O GLU A 66 -7.285 0.515 5.855 1.00 0.00 O ATOM 1071 CB GLU A 66 -6.814 -2.183 7.627 1.00 0.00 C ATOM 1072 CG GLU A 66 -7.606 -3.438 8.017 1.00 0.00 C ATOM 1073 CD GLU A 66 -8.254 -3.321 9.403 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -7.668 -2.654 10.285 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -9.367 -3.872 9.539 1.00 0.00 O ATOM 0 H GLU A 66 -5.491 -3.295 5.733 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.021 -1.883 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.760 -2.332 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.156 -1.338 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.381 -3.620 7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.941 -4.302 8.003 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.225 -0.264 5.456 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.656 1.031 5.014 1.00 0.00 C ATOM 1084 C ALA A 67 -5.401 1.670 3.821 1.00 0.00 C ATOM 1085 O ALA A 67 -5.281 2.865 3.561 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.177 0.846 4.683 1.00 0.00 C ATOM 0 H ALA A 67 -4.558 -1.035 5.419 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.779 1.728 5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.755 1.797 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.646 0.498 5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.072 0.110 3.885 1.00 0.00 H new ATOM 1092 N GLN A 68 -6.149 0.836 3.102 1.00 0.00 N ATOM 1093 CA GLN A 68 -7.062 1.221 2.014 1.00 0.00 C ATOM 1094 C GLN A 68 -8.539 1.074 2.386 1.00 0.00 C ATOM 1095 O GLN A 68 -9.337 1.851 1.873 1.00 0.00 O ATOM 1096 CB GLN A 68 -6.726 0.382 0.775 1.00 0.00 C ATOM 1097 CG GLN A 68 -7.835 0.085 -0.253 1.00 0.00 C ATOM 1098 CD GLN A 68 -8.727 -1.073 0.212 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -8.292 -2.082 0.742 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -10.026 -0.903 0.139 1.00 0.00 N ATOM 0 H GLN A 68 -6.139 -0.171 3.264 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.915 2.281 1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -5.915 0.885 0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.335 -0.574 1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.442 0.977 -0.404 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.386 -0.162 -1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.407 -0.065 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.655 -1.609 0.522 1.00 0.00 H new ATOM 1109 N GLU A 69 -8.904 -0.006 3.084 1.00 0.00 N ATOM 1110 CA GLU A 69 -10.316 -0.310 3.409 1.00 0.00 C ATOM 1111 C GLU A 69 -11.081 0.906 3.956 1.00 0.00 C ATOM 1112 O GLU A 69 -12.210 1.171 3.547 1.00 0.00 O ATOM 1113 CB GLU A 69 -10.391 -1.484 4.386 1.00 0.00 C ATOM 1114 CG GLU A 69 -11.811 -2.046 4.471 1.00 0.00 C ATOM 1115 CD GLU A 69 -11.841 -3.306 5.331 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -11.587 -4.384 4.753 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -12.128 -3.161 6.538 1.00 0.00 O ATOM 0 H GLU A 69 -8.241 -0.694 3.441 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.806 -0.585 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.705 -2.269 4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.066 -1.159 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.480 -1.296 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.178 -2.274 3.470 1.00 0.00 H new ATOM 1124 N TRP A 70 -10.332 1.747 4.656 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.778 3.082 5.066 1.00 0.00 C ATOM 1126 C TRP A 70 -10.672 4.082 3.904 1.00 0.00 C ATOM 1127 O TRP A 70 -10.241 5.212 4.087 1.00 0.00 O ATOM 1128 CB TRP A 70 -9.939 3.493 6.274 1.00 0.00 C ATOM 1129 CG TRP A 70 -10.550 2.928 7.551 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -11.200 3.633 8.474 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -10.414 1.635 8.045 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -11.460 2.853 9.530 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -11.007 1.636 9.295 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -9.926 0.470 7.500 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -11.100 0.433 10.005 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -10.055 -0.733 8.182 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -10.635 -0.744 9.443 1.00 0.00 C ATOM 0 H TRP A 70 -9.385 1.523 4.962 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.831 3.071 5.346 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.918 3.130 6.158 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -9.885 4.580 6.337 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.475 4.674 8.385 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -11.934 3.152 10.382 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.440 0.491 6.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -11.535 0.423 10.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.707 -1.652 7.735 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.724 -1.673 9.987 1.00 0.00 H new ATOM 1148 N CYS A 71 -11.241 3.706 2.761 1.00 0.00 N ATOM 1149 CA CYS A 71 -11.179 4.518 1.530 1.00 0.00 C ATOM 1150 C CYS A 71 -12.284 5.568 1.552 1.00 0.00 C ATOM 1151 O CYS A 71 -11.957 6.721 1.770 1.00 0.00 O ATOM 1152 CB CYS A 71 -11.233 3.694 0.243 1.00 0.00 C ATOM 1153 SG CYS A 71 -10.558 4.650 -1.165 1.00 0.00 S ATOM 0 H CYS A 71 -11.759 2.834 2.653 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.204 5.005 1.522 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.664 2.773 0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -12.263 3.405 0.033 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.613 3.929 -2.245 1.00 0.00 H new ATOM 1159 N ARG A 72 -13.550 5.150 1.649 1.00 0.00 N ATOM 1160 CA ARG A 72 -14.682 6.085 1.862 1.00 0.00 C ATOM 1161 C ARG A 72 -14.481 7.040 3.055 1.00 0.00 C ATOM 1162 O ARG A 72 -14.794 8.227 2.973 1.00 0.00 O ATOM 1163 CB ARG A 72 -15.999 5.341 2.067 1.00 0.00 C ATOM 1164 CG ARG A 72 -16.759 5.146 0.758 1.00 0.00 C ATOM 1165 CD ARG A 72 -18.240 5.002 1.101 1.00 0.00 C ATOM 1166 NE ARG A 72 -18.810 3.806 0.463 1.00 0.00 N ATOM 1167 CZ ARG A 72 -19.954 3.212 0.810 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -20.705 3.654 1.811 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -20.363 2.135 0.156 1.00 0.00 N ATOM 0 H ARG A 72 -13.827 4.170 1.584 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.719 6.680 0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.799 4.369 2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.623 5.895 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.601 5.995 0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.399 4.260 0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.363 4.936 2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.782 5.889 0.772 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.287 3.395 -0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.414 4.474 2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.573 3.174 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.804 1.761 -0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.237 1.680 0.419 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.791 6.521 4.072 1.00 0.00 N ATOM 1184 CA LYS A 73 -13.301 7.294 5.227 1.00 0.00 C ATOM 1185 C LYS A 73 -12.174 8.257 4.826 1.00 0.00 C ATOM 1186 O LYS A 73 -12.428 9.449 4.739 1.00 0.00 O ATOM 1187 CB LYS A 73 -12.881 6.344 6.353 1.00 0.00 C ATOM 1188 CG LYS A 73 -13.920 6.242 7.474 1.00 0.00 C ATOM 1189 CD LYS A 73 -13.835 7.430 8.438 1.00 0.00 C ATOM 1190 CE LYS A 73 -14.652 7.165 9.704 1.00 0.00 C ATOM 1191 NZ LYS A 73 -14.761 8.354 10.565 1.00 0.00 N ATOM 0 H LYS A 73 -13.549 5.531 4.122 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.114 7.917 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.706 5.352 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.935 6.685 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.919 6.196 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.769 5.314 8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.794 7.614 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.202 8.330 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.651 6.830 9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.190 6.354 10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.323 8.122 11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.811 8.660 10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.226 9.122 10.040 1.00 0.00 H new ATOM 1205 N TYR A 74 -11.032 7.773 4.352 1.00 0.00 N ATOM 1206 CA TYR A 74 -9.924 8.618 3.846 1.00 0.00 C ATOM 1207 C TYR A 74 -10.277 9.545 2.657 1.00 0.00 C ATOM 1208 O TYR A 74 -9.577 10.511 2.367 1.00 0.00 O ATOM 1209 CB TYR A 74 -8.758 7.674 3.520 1.00 0.00 C ATOM 1210 CG TYR A 74 -7.486 8.304 2.967 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -7.135 9.615 3.270 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -6.682 7.548 2.121 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -6.003 10.182 2.714 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -5.534 8.109 1.582 1.00 0.00 C ATOM 1215 CZ TYR A 74 -5.211 9.426 1.869 1.00 0.00 C ATOM 1216 OH TYR A 74 -4.138 10.001 1.268 1.00 0.00 O ATOM 0 H TYR A 74 -10.834 6.774 4.302 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.661 9.333 4.625 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.499 7.131 4.429 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.111 6.937 2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.750 10.194 3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.950 6.529 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.740 11.205 2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.894 7.522 0.941 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.389 10.304 0.371 1.00 0.00 H new ATOM 1226 N MET A 75 -11.406 9.282 2.015 1.00 0.00 N ATOM 1227 CA MET A 75 -11.905 10.035 0.856 1.00 0.00 C ATOM 1228 C MET A 75 -12.850 11.167 1.276 1.00 0.00 C ATOM 1229 O MET A 75 -12.526 12.337 1.084 1.00 0.00 O ATOM 1230 CB MET A 75 -12.607 9.052 -0.084 1.00 0.00 C ATOM 1231 CG MET A 75 -12.044 9.119 -1.502 1.00 0.00 C ATOM 1232 SD MET A 75 -12.347 10.731 -2.308 1.00 0.00 S ATOM 1233 CE MET A 75 -11.996 10.273 -3.990 1.00 0.00 C ATOM 0 H MET A 75 -12.024 8.518 2.288 1.00 0.00 H new ATOM 0 HA MET A 75 -11.067 10.509 0.345 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.497 8.039 0.303 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.675 9.271 -0.107 1.00 0.00 H new ATOM 0 HG2 MET A 75 -10.971 8.929 -1.472 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.491 8.327 -2.103 1.00 0.00 H new ATOM 0 HE1 MET A 75 -12.129 11.139 -4.638 1.00 0.00 H new ATOM 0 HE2 MET A 75 -10.968 9.919 -4.064 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.676 9.480 -4.301 1.00 0.00 H new ATOM 1243 N LYS A 76 -13.952 10.810 1.937 1.00 0.00 N ATOM 1244 CA LYS A 76 -14.960 11.795 2.365 1.00 0.00 C ATOM 1245 C LYS A 76 -14.624 12.392 3.738 1.00 0.00 C ATOM 1246 O LYS A 76 -14.636 13.607 3.920 1.00 0.00 O ATOM 1247 CB LYS A 76 -16.343 11.146 2.425 1.00 0.00 C ATOM 1248 CG LYS A 76 -17.399 12.135 1.935 1.00 0.00 C ATOM 1249 CD LYS A 76 -18.791 11.684 2.370 1.00 0.00 C ATOM 1250 CE LYS A 76 -19.852 12.149 1.374 1.00 0.00 C ATOM 1251 NZ LYS A 76 -20.336 10.993 0.604 1.00 0.00 N ATOM 0 H LYS A 76 -14.174 9.847 2.190 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.959 12.600 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.360 10.247 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.566 10.837 3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.190 13.128 2.334 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.358 12.213 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.816 10.597 2.453 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.015 12.084 3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.680 12.622 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.433 12.898 0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.059 11.306 -0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.542 10.561 0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.750 10.293 1.252 1.00 0.00 H new ATOM 1265 N SER A 77 -14.248 11.520 4.669 1.00 0.00 N ATOM 1266 CA SER A 77 -13.837 11.938 6.022 1.00 0.00 C ATOM 1267 C SER A 77 -12.446 12.597 5.952 1.00 0.00 C ATOM 1268 O SER A 77 -12.199 13.529 6.711 1.00 0.00 O ATOM 1269 CB SER A 77 -13.836 10.720 6.952 1.00 0.00 C ATOM 1270 OG SER A 77 -14.060 11.033 8.327 1.00 0.00 O ATOM 0 H SER A 77 -14.217 10.512 4.518 1.00 0.00 H new ATOM 0 HA SER A 77 -14.539 12.669 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.605 10.023 6.620 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.879 10.207 6.859 1.00 0.00 H new ATOM 0 HG SER A 77 -13.740 10.295 8.887 1.00 0.00 H new ATOM 1276 N GLY A 78 -11.547 12.035 5.116 1.00 0.00 N ATOM 1277 CA GLY A 78 -10.169 12.536 4.887 1.00 0.00 C ATOM 1278 C GLY A 78 -9.399 12.786 6.194 1.00 0.00 C ATOM 1279 O GLY A 78 -8.451 13.566 6.257 1.00 0.00 O ATOM 0 H GLY A 78 -11.761 11.202 4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.621 11.814 4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.215 13.463 4.315 1.00 0.00 H new ATOM 1283 N ASN A 79 -9.853 12.091 7.229 1.00 0.00 N ATOM 1284 CA ASN A 79 -9.361 12.256 8.597 1.00 0.00 C ATOM 1285 C ASN A 79 -8.002 11.582 8.692 1.00 0.00 C ATOM 1286 O ASN A 79 -7.872 10.367 8.518 1.00 0.00 O ATOM 1287 CB ASN A 79 -10.361 11.673 9.598 1.00 0.00 C ATOM 1288 CG ASN A 79 -10.959 12.790 10.455 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -10.332 13.292 11.378 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -12.148 13.241 10.117 1.00 0.00 N ATOM 0 H ASN A 79 -10.585 11.385 7.144 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.253 13.312 8.843 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.154 11.147 9.067 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.865 10.941 10.235 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.561 14.021 10.627 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.656 12.810 9.345 1.00 0.00 H new ATOM 1297 N VAL A 80 -7.012 12.423 8.976 1.00 0.00 N ATOM 1298 CA VAL A 80 -5.622 11.975 9.221 1.00 0.00 C ATOM 1299 C VAL A 80 -5.589 10.905 10.332 1.00 0.00 C ATOM 1300 O VAL A 80 -4.682 10.085 10.353 1.00 0.00 O ATOM 1301 CB VAL A 80 -4.672 13.157 9.511 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -3.220 12.716 9.742 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -4.667 14.151 8.345 1.00 0.00 C ATOM 0 H VAL A 80 -7.138 13.433 9.045 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.250 11.514 8.306 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.053 13.618 10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.601 13.591 9.941 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.177 12.039 10.595 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.850 12.204 8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.991 14.975 8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.333 13.647 7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.674 14.539 8.194 1.00 0.00 H new ATOM 1313 N LYS A 81 -6.661 10.812 11.116 1.00 0.00 N ATOM 1314 CA LYS A 81 -6.902 9.727 12.090 1.00 0.00 C ATOM 1315 C LYS A 81 -6.827 8.310 11.475 1.00 0.00 C ATOM 1316 O LYS A 81 -6.472 7.354 12.152 1.00 0.00 O ATOM 1317 CB LYS A 81 -8.228 9.959 12.833 1.00 0.00 C ATOM 1318 CG LYS A 81 -8.406 11.381 13.402 1.00 0.00 C ATOM 1319 CD LYS A 81 -7.138 11.971 14.037 1.00 0.00 C ATOM 1320 CE LYS A 81 -7.361 13.401 14.527 1.00 0.00 C ATOM 1321 NZ LYS A 81 -6.150 14.215 14.349 1.00 0.00 N ATOM 0 H LYS A 81 -7.411 11.503 11.098 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.085 9.766 12.810 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.052 9.749 12.152 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.301 9.243 13.652 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.738 12.041 12.601 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.199 11.364 14.150 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.825 11.345 14.873 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.327 11.959 13.309 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.189 13.851 13.980 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.643 13.388 15.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.328 15.181 14.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.367 13.796 14.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.897 14.244 13.341 1.00 0.00 H new ATOM 1335 N ASP A 82 -7.077 8.221 10.170 1.00 0.00 N ATOM 1336 CA ASP A 82 -6.778 7.020 9.363 1.00 0.00 C ATOM 1337 C ASP A 82 -5.330 6.932 8.865 1.00 0.00 C ATOM 1338 O ASP A 82 -4.669 5.907 9.007 1.00 0.00 O ATOM 1339 CB ASP A 82 -7.726 6.934 8.172 1.00 0.00 C ATOM 1340 CG ASP A 82 -8.890 6.048 8.588 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -8.614 4.839 8.730 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -9.988 6.606 8.801 1.00 0.00 O ATOM 0 H ASP A 82 -7.495 8.980 9.632 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.923 6.177 10.038 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.079 7.926 7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.216 6.517 7.304 1.00 0.00 H new ATOM 1347 N LEU A 83 -4.818 8.071 8.420 1.00 0.00 N ATOM 1348 CA LEU A 83 -3.451 8.188 7.883 1.00 0.00 C ATOM 1349 C LEU A 83 -2.346 7.977 8.915 1.00 0.00 C ATOM 1350 O LEU A 83 -1.447 7.188 8.661 1.00 0.00 O ATOM 1351 CB LEU A 83 -3.225 9.516 7.160 1.00 0.00 C ATOM 1352 CG LEU A 83 -3.792 9.580 5.738 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -3.417 8.379 4.855 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -5.297 9.803 5.831 1.00 0.00 C ATOM 0 H LEU A 83 -5.335 8.950 8.417 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.380 7.368 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.673 10.315 7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.154 9.712 7.118 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.328 10.421 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.858 8.503 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.332 8.319 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.794 7.462 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.720 9.852 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.754 8.978 6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.495 10.739 6.354 1.00 0.00 H new ATOM 1366 N THR A 84 -2.550 8.511 10.116 1.00 0.00 N ATOM 1367 CA THR A 84 -1.670 8.299 11.292 1.00 0.00 C ATOM 1368 C THR A 84 -1.377 6.803 11.535 1.00 0.00 C ATOM 1369 O THR A 84 -0.229 6.415 11.749 1.00 0.00 O ATOM 1370 CB THR A 84 -2.232 9.005 12.544 1.00 0.00 C ATOM 1371 OG1 THR A 84 -1.364 8.800 13.657 1.00 0.00 O ATOM 1372 CG2 THR A 84 -3.648 8.587 12.940 1.00 0.00 C ATOM 0 H THR A 84 -3.345 9.118 10.317 1.00 0.00 H new ATOM 0 HA THR A 84 -0.708 8.761 11.071 1.00 0.00 H new ATOM 0 HB THR A 84 -2.288 10.058 12.269 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.730 9.254 14.445 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.954 9.137 13.830 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.335 8.808 12.123 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.666 7.518 13.150 1.00 0.00 H new ATOM 1380 N GLN A 85 -2.374 5.979 11.209 1.00 0.00 N ATOM 1381 CA GLN A 85 -2.259 4.507 11.184 1.00 0.00 C ATOM 1382 C GLN A 85 -1.811 3.918 9.842 1.00 0.00 C ATOM 1383 O GLN A 85 -1.010 2.991 9.834 1.00 0.00 O ATOM 1384 CB GLN A 85 -3.570 3.848 11.616 1.00 0.00 C ATOM 1385 CG GLN A 85 -3.554 3.520 13.111 1.00 0.00 C ATOM 1386 CD GLN A 85 -3.518 4.761 14.007 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -4.329 5.667 13.917 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -2.569 4.807 14.914 1.00 0.00 N ATOM 0 H GLN A 85 -3.302 6.314 10.950 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.465 4.283 11.896 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.405 4.513 11.395 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.729 2.935 11.042 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.438 2.931 13.355 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.686 2.898 13.329 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.893 4.046 14.984 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.508 5.604 15.548 1.00 0.00 H new ATOM 1397 N ALA A 86 -2.257 4.493 8.726 1.00 0.00 N ATOM 1398 CA ALA A 86 -1.784 4.124 7.376 1.00 0.00 C ATOM 1399 C ALA A 86 -0.255 4.217 7.254 1.00 0.00 C ATOM 1400 O ALA A 86 0.359 3.270 6.774 1.00 0.00 O ATOM 1401 CB ALA A 86 -2.458 5.004 6.323 1.00 0.00 C ATOM 0 H ALA A 86 -2.960 5.232 8.724 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.059 3.083 7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.102 4.723 5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.538 4.868 6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.215 6.049 6.513 1.00 0.00 H new ATOM 1407 N TRP A 87 0.343 5.174 7.966 1.00 0.00 N ATOM 1408 CA TRP A 87 1.808 5.329 8.074 1.00 0.00 C ATOM 1409 C TRP A 87 2.406 4.167 8.857 1.00 0.00 C ATOM 1410 O TRP A 87 3.172 3.409 8.275 1.00 0.00 O ATOM 1411 CB TRP A 87 2.193 6.636 8.772 1.00 0.00 C ATOM 1412 CG TRP A 87 1.429 7.854 8.255 1.00 0.00 C ATOM 1413 CD1 TRP A 87 0.931 8.799 9.048 1.00 0.00 C ATOM 1414 CD2 TRP A 87 1.001 8.129 6.964 1.00 0.00 C ATOM 1415 NE1 TRP A 87 0.223 9.664 8.319 1.00 0.00 N ATOM 1416 CE2 TRP A 87 0.269 9.302 7.044 1.00 0.00 C ATOM 1417 CE3 TRP A 87 1.112 7.455 5.760 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 -0.317 9.828 5.904 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 0.503 7.963 4.628 1.00 0.00 C ATOM 1420 CH2 TRP A 87 -0.204 9.158 4.700 1.00 0.00 C ATOM 0 H TRP A 87 -0.177 5.876 8.493 1.00 0.00 H new ATOM 0 HA TRP A 87 2.202 5.345 7.058 1.00 0.00 H new ATOM 0 HB2 TRP A 87 2.014 6.533 9.842 1.00 0.00 H new ATOM 0 HB3 TRP A 87 3.262 6.806 8.642 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.077 8.857 10.116 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.275 10.476 8.685 1.00 0.00 H new ATOM 0 HE3 TRP A 87 1.673 6.534 5.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.861 10.760 5.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 0.576 7.433 3.690 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -0.666 9.564 3.813 1.00 0.00 H new ATOM 1431 N ASP A 88 1.742 3.815 9.958 1.00 0.00 N ATOM 1432 CA ASP A 88 2.118 2.654 10.781 1.00 0.00 C ATOM 1433 C ASP A 88 2.009 1.358 9.963 1.00 0.00 C ATOM 1434 O ASP A 88 2.939 0.568 10.013 1.00 0.00 O ATOM 1435 CB ASP A 88 1.239 2.565 12.034 1.00 0.00 C ATOM 1436 CG ASP A 88 1.843 1.636 13.090 1.00 0.00 C ATOM 1437 OD1 ASP A 88 1.650 0.408 12.948 1.00 0.00 O ATOM 1438 OD2 ASP A 88 2.446 2.182 14.038 1.00 0.00 O ATOM 0 H ASP A 88 0.929 4.322 10.308 1.00 0.00 H new ATOM 0 HA ASP A 88 3.153 2.784 11.097 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.109 3.561 12.458 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.248 2.205 11.758 1.00 0.00 H new ATOM 1443 N LEU A 89 1.046 1.274 9.047 1.00 0.00 N ATOM 1444 CA LEU A 89 0.840 0.094 8.188 1.00 0.00 C ATOM 1445 C LEU A 89 1.842 0.044 7.037 1.00 0.00 C ATOM 1446 O LEU A 89 2.650 -0.878 6.985 1.00 0.00 O ATOM 1447 CB LEU A 89 -0.602 0.034 7.668 1.00 0.00 C ATOM 1448 CG LEU A 89 -1.627 -0.083 8.803 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.044 -0.044 8.235 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -1.431 -1.355 9.634 1.00 0.00 C ATOM 0 H LEU A 89 0.378 2.025 8.873 1.00 0.00 H new ATOM 0 HA LEU A 89 1.014 -0.788 8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.812 0.929 7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.708 -0.818 6.996 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.473 0.767 9.468 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.765 -0.128 9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.199 0.898 7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.181 -0.874 7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.180 -1.392 10.425 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.537 -2.229 8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.435 -1.350 10.078 1.00 0.00 H new ATOM 1462 N TYR A 90 1.924 1.137 6.283 1.00 0.00 N ATOM 1463 CA TYR A 90 2.883 1.318 5.181 1.00 0.00 C ATOM 1464 C TYR A 90 4.336 1.186 5.629 1.00 0.00 C ATOM 1465 O TYR A 90 5.098 0.558 4.912 1.00 0.00 O ATOM 1466 CB TYR A 90 2.690 2.678 4.503 1.00 0.00 C ATOM 1467 CG TYR A 90 1.296 2.871 3.914 1.00 0.00 C ATOM 1468 CD1 TYR A 90 0.552 1.823 3.371 1.00 0.00 C ATOM 1469 CD2 TYR A 90 0.750 4.147 3.954 1.00 0.00 C ATOM 1470 CE1 TYR A 90 -0.714 2.058 2.857 1.00 0.00 C ATOM 1471 CE2 TYR A 90 -0.526 4.377 3.476 1.00 0.00 C ATOM 1472 CZ TYR A 90 -1.246 3.335 2.925 1.00 0.00 C ATOM 1473 OH TYR A 90 -2.478 3.605 2.423 1.00 0.00 O ATOM 0 H TYR A 90 1.315 1.944 6.419 1.00 0.00 H new ATOM 0 HA TYR A 90 2.677 0.516 4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.882 3.468 5.229 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.430 2.788 3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.964 0.825 3.351 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.326 4.965 4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.279 1.254 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.958 5.365 3.533 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.749 2.885 1.816 1.00 0.00 H new ATOM 1483 N TYR A 91 4.616 1.591 6.866 1.00 0.00 N ATOM 1484 CA TYR A 91 5.932 1.528 7.529 1.00 0.00 C ATOM 1485 C TYR A 91 6.237 0.153 8.144 1.00 0.00 C ATOM 1486 O TYR A 91 7.232 -0.477 7.788 1.00 0.00 O ATOM 1487 CB TYR A 91 5.964 2.631 8.592 1.00 0.00 C ATOM 1488 CG TYR A 91 7.269 2.704 9.364 1.00 0.00 C ATOM 1489 CD1 TYR A 91 8.385 3.244 8.742 1.00 0.00 C ATOM 1490 CD2 TYR A 91 7.327 2.264 10.682 1.00 0.00 C ATOM 1491 CE1 TYR A 91 9.574 3.351 9.442 1.00 0.00 C ATOM 1492 CE2 TYR A 91 8.518 2.374 11.383 1.00 0.00 C ATOM 1493 CZ TYR A 91 9.637 2.908 10.756 1.00 0.00 C ATOM 1494 OH TYR A 91 10.812 2.983 11.431 1.00 0.00 O ATOM 0 H TYR A 91 3.900 1.994 7.470 1.00 0.00 H new ATOM 0 HA TYR A 91 6.711 1.681 6.783 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.784 3.592 8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.146 2.469 9.294 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.326 3.579 7.717 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.453 1.841 11.155 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.447 3.776 8.969 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.576 2.047 12.411 1.00 0.00 H new ATOM 0 HH TYR A 91 10.691 2.634 12.339 1.00 0.00 H new ATOM 1504 N HIS A 92 5.323 -0.346 8.980 1.00 0.00 N ATOM 1505 CA HIS A 92 5.412 -1.707 9.550 1.00 0.00 C ATOM 1506 C HIS A 92 5.484 -2.763 8.437 1.00 0.00 C ATOM 1507 O HIS A 92 6.095 -3.814 8.596 1.00 0.00 O ATOM 1508 CB HIS A 92 4.204 -1.965 10.462 1.00 0.00 C ATOM 1509 CG HIS A 92 4.172 -3.353 11.090 1.00 0.00 C ATOM 1510 ND1 HIS A 92 3.689 -4.445 10.500 1.00 0.00 N ATOM 1511 CD2 HIS A 92 4.579 -3.682 12.312 1.00 0.00 C ATOM 1512 CE1 HIS A 92 3.808 -5.451 11.359 1.00 0.00 C ATOM 1513 NE2 HIS A 92 4.348 -4.980 12.479 1.00 0.00 N ATOM 0 H HIS A 92 4.500 0.174 9.285 1.00 0.00 H new ATOM 0 HA HIS A 92 6.326 -1.781 10.140 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.200 -1.220 11.257 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.291 -1.820 9.884 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.018 -3.014 13.038 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.516 -6.475 11.179 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.550 -5.521 13.320 1.00 0.00 H new ATOM 1521 N VAL A 93 4.829 -2.478 7.313 1.00 0.00 N ATOM 1522 CA VAL A 93 4.923 -3.316 6.111 1.00 0.00 C ATOM 1523 C VAL A 93 6.179 -2.994 5.293 1.00 0.00 C ATOM 1524 O VAL A 93 6.860 -3.932 4.909 1.00 0.00 O ATOM 1525 CB VAL A 93 3.611 -3.307 5.304 1.00 0.00 C ATOM 1526 CG1 VAL A 93 3.447 -2.192 4.271 1.00 0.00 C ATOM 1527 CG2 VAL A 93 3.376 -4.682 4.686 1.00 0.00 C ATOM 0 H VAL A 93 4.221 -1.666 7.206 1.00 0.00 H new ATOM 0 HA VAL A 93 5.050 -4.352 6.426 1.00 0.00 H new ATOM 0 HB VAL A 93 2.836 -3.074 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.484 -2.297 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.493 -1.224 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.247 -2.259 3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.447 -4.671 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.205 -4.930 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.308 -5.429 5.477 1.00 0.00 H new ATOM 1537 N PHE A 94 6.568 -1.723 5.194 1.00 0.00 N ATOM 1538 CA PHE A 94 7.782 -1.254 4.496 1.00 0.00 C ATOM 1539 C PHE A 94 9.043 -2.031 4.889 1.00 0.00 C ATOM 1540 O PHE A 94 10.016 -1.934 4.158 1.00 0.00 O ATOM 1541 CB PHE A 94 7.965 0.252 4.772 1.00 0.00 C ATOM 1542 CG PHE A 94 9.328 0.856 4.451 1.00 0.00 C ATOM 1543 CD1 PHE A 94 10.353 0.698 5.379 1.00 0.00 C ATOM 1544 CD2 PHE A 94 9.578 1.451 3.218 1.00 0.00 C ATOM 1545 CE1 PHE A 94 11.636 1.119 5.070 1.00 0.00 C ATOM 1546 CE2 PHE A 94 10.864 1.891 2.923 1.00 0.00 C ATOM 1547 CZ PHE A 94 11.889 1.718 3.845 1.00 0.00 C ATOM 0 H PHE A 94 6.034 -0.960 5.609 1.00 0.00 H new ATOM 0 HA PHE A 94 7.642 -1.433 3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 94 7.212 0.795 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.756 0.431 5.827 1.00 0.00 H new ATOM 0 HD1 PHE A 94 10.148 0.248 6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.782 1.570 2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 94 12.437 0.981 5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 94 11.066 2.368 1.975 1.00 0.00 H new ATOM 0 HZ PHE A 94 12.888 2.052 3.606 1.00 0.00 H new ATOM 1557 N ARG A 95 9.061 -2.540 6.122 1.00 0.00 N ATOM 1558 CA ARG A 95 10.109 -3.437 6.653 1.00 0.00 C ATOM 1559 C ARG A 95 9.827 -4.941 6.426 1.00 0.00 C ATOM 1560 O ARG A 95 10.725 -5.684 6.037 1.00 0.00 O ATOM 1561 CB ARG A 95 10.337 -3.127 8.142 1.00 0.00 C ATOM 1562 CG ARG A 95 9.110 -3.485 8.985 1.00 0.00 C ATOM 1563 CD ARG A 95 9.059 -2.777 10.328 1.00 0.00 C ATOM 1564 NE ARG A 95 9.698 -3.567 11.394 1.00 0.00 N ATOM 1565 CZ ARG A 95 9.716 -3.205 12.677 1.00 0.00 C ATOM 1566 NH1 ARG A 95 9.146 -2.074 13.071 1.00 0.00 N ATOM 1567 NH2 ARG A 95 10.293 -3.968 13.592 1.00 0.00 N ATOM 0 H ARG A 95 8.330 -2.339 6.804 1.00 0.00 H new ATOM 0 HA ARG A 95 11.019 -3.236 6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.202 -3.684 8.502 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.566 -2.068 8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.210 -3.240 8.421 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.098 -4.562 9.152 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.555 -1.810 10.247 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.021 -2.581 10.595 1.00 0.00 H new ATOM 0 HE ARG A 95 10.153 -4.442 11.136 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.687 -1.470 12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.167 -1.808 14.056 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.732 -4.847 13.320 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.298 -3.677 14.569 1.00 0.00 H new ATOM 1581 N ARG A 96 8.560 -5.341 6.560 1.00 0.00 N ATOM 1582 CA ARG A 96 8.027 -6.713 6.386 1.00 0.00 C ATOM 1583 C ARG A 96 7.961 -7.186 4.923 1.00 0.00 C ATOM 1584 O ARG A 96 8.500 -8.227 4.556 1.00 0.00 O ATOM 1585 CB ARG A 96 6.628 -6.786 7.012 1.00 0.00 C ATOM 1586 CG ARG A 96 6.637 -6.896 8.537 1.00 0.00 C ATOM 1587 CD ARG A 96 7.018 -8.303 9.008 1.00 0.00 C ATOM 1588 NE ARG A 96 7.130 -8.321 10.478 1.00 0.00 N ATOM 1589 CZ ARG A 96 8.152 -7.857 11.202 1.00 0.00 C ATOM 1590 NH1 ARG A 96 9.236 -7.334 10.639 1.00 0.00 N ATOM 1591 NH2 ARG A 96 8.104 -7.919 12.522 1.00 0.00 N ATOM 0 H ARG A 96 7.824 -4.680 6.809 1.00 0.00 H new ATOM 0 HA ARG A 96 8.726 -7.384 6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.065 -5.898 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.100 -7.645 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.341 -6.173 8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.652 -6.638 8.925 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.267 -9.022 8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.964 -8.604 8.558 1.00 0.00 H new ATOM 0 HE ARG A 96 6.350 -8.728 10.993 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.306 -7.277 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.998 -6.989 11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.288 -8.320 12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.883 -7.566 13.078 1.00 0.00 H new ATOM 1605 N ILE A 97 7.254 -6.436 4.082 1.00 0.00 N ATOM 1606 CA ILE A 97 7.246 -6.661 2.616 1.00 0.00 C ATOM 1607 C ILE A 97 8.590 -6.327 1.940 1.00 0.00 C ATOM 1608 O ILE A 97 8.779 -6.636 0.767 1.00 0.00 O ATOM 1609 CB ILE A 97 6.134 -5.932 1.847 1.00 0.00 C ATOM 1610 CG1 ILE A 97 6.117 -4.438 2.164 1.00 0.00 C ATOM 1611 CG2 ILE A 97 4.780 -6.625 2.025 1.00 0.00 C ATOM 1612 CD1 ILE A 97 5.581 -3.619 1.006 1.00 0.00 C ATOM 0 H ILE A 97 6.669 -5.656 4.383 1.00 0.00 H new ATOM 0 HA ILE A 97 7.051 -7.732 2.554 1.00 0.00 H new ATOM 0 HB ILE A 97 6.355 -5.998 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.504 -4.262 3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.127 -4.107 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.017 -6.082 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.843 -7.647 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.515 -6.640 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.586 -2.563 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.210 -3.774 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.561 -3.931 0.781 1.00 0.00 H new ATOM 1624 N SER A 98 9.519 -5.736 2.693 1.00 0.00 N ATOM 1625 CA SER A 98 10.878 -5.425 2.192 1.00 0.00 C ATOM 1626 C SER A 98 11.916 -6.480 2.607 1.00 0.00 C ATOM 1627 O SER A 98 13.112 -6.225 2.726 1.00 0.00 O ATOM 1628 CB SER A 98 11.351 -4.053 2.679 1.00 0.00 C ATOM 1629 OG SER A 98 11.704 -4.045 4.068 1.00 0.00 O ATOM 0 H SER A 98 9.362 -5.457 3.662 1.00 0.00 H new ATOM 0 HA SER A 98 10.799 -5.425 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.212 -3.741 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.563 -3.320 2.505 1.00 0.00 H new ATOM 0 HG SER A 98 11.284 -4.808 4.517 1.00 0.00 H new ATOM 1635 N LYS A 99 11.413 -7.689 2.830 1.00 0.00 N ATOM 1636 CA LYS A 99 12.230 -8.830 3.277 1.00 0.00 C ATOM 1637 C LYS A 99 11.564 -10.173 2.934 1.00 0.00 C ATOM 1638 O LYS A 99 11.449 -11.084 3.751 1.00 0.00 O ATOM 1639 CB LYS A 99 12.560 -8.703 4.776 1.00 0.00 C ATOM 1640 CG LYS A 99 11.310 -8.644 5.663 1.00 0.00 C ATOM 1641 CD LYS A 99 11.592 -8.826 7.154 1.00 0.00 C ATOM 1642 CE LYS A 99 12.053 -10.255 7.443 1.00 0.00 C ATOM 1643 NZ LYS A 99 11.220 -10.868 8.484 1.00 0.00 N ATOM 0 H LYS A 99 10.426 -7.914 2.708 1.00 0.00 H new ATOM 0 HA LYS A 99 13.174 -8.810 2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.175 -9.550 5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.155 -7.804 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.816 -7.684 5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.612 -9.416 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 99 12.358 -8.119 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.693 -8.604 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.001 -10.850 6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.096 -10.249 7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.549 -11.838 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.290 -10.309 9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.230 -10.892 8.167 1.00 0.00 H new