USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 873 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 38 CYS SG : rot 145:sc= 0.121 USER MOD Set 1.2: A 79 CYS SG : rot 32:sc= 0.491 USER MOD Set 2.1: A 32 HIS :FLIP no HE2:sc= 0.23 F(o=-3.2,f=1.6) USER MOD Set 2.2: A 64 THR OG1 : rot 153:sc= 1.36 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS :FLIP no HD1:sc= -0.262 F(o=-1.2,f=-0.26) USER MOD Single : A 9 HIS : no HE2:sc= -0.4 K(o=-0.4,f=-1.2) USER MOD Single : A 10 ASN : amide:sc= -1.79 K(o=-1.8,f=-2.4!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 85:sc= 0.666 USER MOD Single : A 37 THR OG1 : rot -151:sc= 0.916 USER MOD Single : A 39 MET CE :methyl 160:sc= -0.301 (180deg=-1.18) USER MOD Single : A 40 LYS NZ :NH3+ 155:sc= -0.58 (180deg=-1.9!) USER MOD Single : A 41 MET CE :methyl -176:sc= -7.51! (180deg=-7.7!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -129:sc= -0.34 (180deg=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -170:sc= -2.44 (180deg=-3.13!) USER MOD Single : A 87 ASN : amide:sc= -0.867 K(o=-0.87,f=-2.1!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-1) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -134:sc= 0.135 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= 0.503 K(o=0.5,f=-5.7!) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.062) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 MET CE :methyl -99:sc= -9.91! (180deg=-17.8!) USER MOD Single : A 118 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -5.203 9.813 -10.635 1.00 0.00 N ATOM 36 CA MET A 4 -4.253 8.759 -10.299 1.00 0.00 C ATOM 37 C MET A 4 -4.486 8.250 -8.880 1.00 0.00 C ATOM 38 O MET A 4 -5.423 8.673 -8.204 1.00 0.00 O ATOM 39 CB MET A 4 -2.819 9.271 -10.442 1.00 0.00 C ATOM 40 CG MET A 4 -1.866 8.251 -11.045 1.00 0.00 C ATOM 41 SD MET A 4 -1.589 8.517 -12.807 1.00 0.00 S ATOM 42 CE MET A 4 0.097 9.123 -12.797 1.00 0.00 C ATOM 0 HA MET A 4 -4.405 7.932 -10.992 1.00 0.00 H new ATOM 0 HB2 MET A 4 -2.822 10.166 -11.065 1.00 0.00 H new ATOM 0 HB3 MET A 4 -2.448 9.567 -9.461 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.912 8.296 -10.520 1.00 0.00 H new ATOM 0 HG3 MET A 4 -2.267 7.249 -10.891 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.414 9.334 -13.818 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.152 10.036 -12.204 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.752 8.368 -12.362 1.00 0.00 H new ATOM 52 N LEU A 5 -3.627 7.336 -8.436 1.00 0.00 N ATOM 53 CA LEU A 5 -3.735 6.762 -7.101 1.00 0.00 C ATOM 54 C LEU A 5 -3.876 7.853 -6.039 1.00 0.00 C ATOM 55 O LEU A 5 -2.908 8.543 -5.717 1.00 0.00 O ATOM 56 CB LEU A 5 -2.508 5.899 -6.798 1.00 0.00 C ATOM 57 CG LEU A 5 -2.783 4.663 -5.940 1.00 0.00 C ATOM 58 CD1 LEU A 5 -3.317 5.068 -4.575 1.00 0.00 C ATOM 59 CD2 LEU A 5 -3.761 3.734 -6.644 1.00 0.00 C ATOM 0 H LEU A 5 -2.846 6.977 -8.985 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.630 6.141 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.067 5.577 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.765 6.516 -6.293 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.844 4.128 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.507 4.175 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.582 5.694 -4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.245 5.626 -4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.946 2.860 -6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.700 4.259 -6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.339 3.417 -7.598 1.00 0.00 H new ATOM 71 N PRO A 6 -5.087 8.026 -5.477 1.00 0.00 N ATOM 72 CA PRO A 6 -5.339 9.041 -4.448 1.00 0.00 C ATOM 73 C PRO A 6 -4.655 8.708 -3.126 1.00 0.00 C ATOM 74 O PRO A 6 -4.333 7.551 -2.856 1.00 0.00 O ATOM 75 CB PRO A 6 -6.860 9.013 -4.284 1.00 0.00 C ATOM 76 CG PRO A 6 -7.262 7.644 -4.710 1.00 0.00 C ATOM 77 CD PRO A 6 -6.301 7.251 -5.797 1.00 0.00 C ATOM 0 HA PRO A 6 -4.946 10.017 -4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.150 9.208 -3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.339 9.775 -4.899 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.214 6.945 -3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.289 7.634 -5.075 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.106 6.179 -5.792 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.688 7.500 -6.785 1.00 0.00 H new ATOM 85 N HIS A 7 -4.433 9.731 -2.307 1.00 0.00 N ATOM 86 CA HIS A 7 -3.785 9.550 -1.013 1.00 0.00 C ATOM 87 C HIS A 7 -4.774 9.764 0.128 1.00 0.00 C ATOM 88 O HIS A 7 -5.978 9.892 -0.096 1.00 0.00 O ATOM 89 CB HIS A 7 -2.605 10.515 -0.874 1.00 0.00 C ATOM 90 CG HIS A 7 -3.010 11.956 -0.816 1.00 0.00 C ATOM 91 ND1 HIS A 7 -3.710 12.643 0.118 1.00 0.00 N flip ATOM 92 CD2 HIS A 7 -2.697 12.866 -1.803 1.00 0.00 C flip ATOM 93 CE1 HIS A 7 -3.804 13.941 -0.318 1.00 0.00 C flip ATOM 94 NE2 HIS A 7 -3.185 14.051 -1.478 1.00 0.00 N flip ATOM 0 H HIS A 7 -4.693 10.695 -2.517 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.417 8.526 -0.958 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.048 10.266 0.029 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.928 10.371 -1.716 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.140 12.645 -2.702 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.304 14.743 0.204 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.098 14.904 -2.030 1.00 0.00 H new ATOM 103 N LEU A 8 -4.258 9.805 1.353 1.00 0.00 N ATOM 104 CA LEU A 8 -5.094 10.006 2.531 1.00 0.00 C ATOM 105 C LEU A 8 -4.585 11.180 3.362 1.00 0.00 C ATOM 106 O LEU A 8 -3.448 11.173 3.833 1.00 0.00 O ATOM 107 CB LEU A 8 -5.127 8.733 3.382 1.00 0.00 C ATOM 108 CG LEU A 8 -6.433 7.940 3.311 1.00 0.00 C ATOM 109 CD1 LEU A 8 -6.797 7.639 1.865 1.00 0.00 C ATOM 110 CD2 LEU A 8 -6.318 6.653 4.113 1.00 0.00 C ATOM 0 H LEU A 8 -3.264 9.702 1.555 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.106 10.234 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.309 8.084 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.940 9.004 4.421 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.228 8.546 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.729 7.074 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.921 8.574 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.002 7.053 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.256 6.101 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.511 6.043 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.105 6.891 5.155 1.00 0.00 H new ATOM 122 N HIS A 9 -5.435 12.187 3.538 1.00 0.00 N ATOM 123 CA HIS A 9 -5.070 13.368 4.313 1.00 0.00 C ATOM 124 C HIS A 9 -6.123 13.669 5.375 1.00 0.00 C ATOM 125 O HIS A 9 -6.464 14.827 5.615 1.00 0.00 O ATOM 126 CB HIS A 9 -4.899 14.576 3.389 1.00 0.00 C ATOM 127 CG HIS A 9 -6.154 14.960 2.669 1.00 0.00 C ATOM 128 ND1 HIS A 9 -7.035 15.908 3.145 1.00 0.00 N ATOM 129 CD2 HIS A 9 -6.675 14.520 1.498 1.00 0.00 C ATOM 130 CE1 HIS A 9 -8.044 16.033 2.300 1.00 0.00 C ATOM 131 NE2 HIS A 9 -7.848 15.202 1.293 1.00 0.00 N ATOM 0 H HIS A 9 -6.380 12.209 3.155 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.123 13.166 4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.552 15.426 3.976 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -4.122 14.356 2.657 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -6.925 16.431 4.014 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.247 13.772 0.847 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.885 16.701 2.414 1.00 0.00 H new ATOM 140 N ASN A 10 -6.634 12.619 6.009 1.00 0.00 N ATOM 141 CA ASN A 10 -7.647 12.771 7.047 1.00 0.00 C ATOM 142 C ASN A 10 -7.856 11.462 7.801 1.00 0.00 C ATOM 143 O ASN A 10 -7.861 10.385 7.206 1.00 0.00 O ATOM 144 CB ASN A 10 -8.969 13.235 6.433 1.00 0.00 C ATOM 145 CG ASN A 10 -9.713 14.208 7.327 1.00 0.00 C ATOM 146 OD1 ASN A 10 -10.631 13.824 8.052 1.00 0.00 O ATOM 147 ND2 ASN A 10 -9.319 15.475 7.281 1.00 0.00 N ATOM 0 H ASN A 10 -6.363 11.653 5.822 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.297 13.524 7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.773 13.708 5.470 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.601 12.368 6.240 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.782 16.174 7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.553 15.749 6.665 1.00 0.00 H new ATOM 154 N GLY A 11 -8.027 11.564 9.115 1.00 0.00 N ATOM 155 CA GLY A 11 -8.234 10.381 9.930 1.00 0.00 C ATOM 156 C GLY A 11 -9.465 9.599 9.515 1.00 0.00 C ATOM 157 O GLY A 11 -9.472 8.369 9.562 1.00 0.00 O ATOM 0 H GLY A 11 -8.026 12.444 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.357 9.737 9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.330 10.676 10.975 1.00 0.00 H new ATOM 161 N TRP A 12 -10.508 10.315 9.109 1.00 0.00 N ATOM 162 CA TRP A 12 -11.751 9.681 8.684 1.00 0.00 C ATOM 163 C TRP A 12 -11.512 8.760 7.492 1.00 0.00 C ATOM 164 O TRP A 12 -12.192 7.746 7.331 1.00 0.00 O ATOM 165 CB TRP A 12 -12.792 10.742 8.323 1.00 0.00 C ATOM 166 CG TRP A 12 -13.333 11.473 9.513 1.00 0.00 C ATOM 167 CD1 TRP A 12 -13.754 10.924 10.690 1.00 0.00 C ATOM 168 CD2 TRP A 12 -13.513 12.888 9.642 1.00 0.00 C ATOM 169 NE1 TRP A 12 -14.185 11.911 11.544 1.00 0.00 N ATOM 170 CE2 TRP A 12 -14.047 13.125 10.923 1.00 0.00 C ATOM 171 CE3 TRP A 12 -13.275 13.977 8.799 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -14.345 14.406 11.380 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -13.571 15.248 9.254 1.00 0.00 C ATOM 174 CH2 TRP A 12 -14.101 15.454 10.534 1.00 0.00 C ATOM 0 H TRP A 12 -10.518 11.334 9.065 1.00 0.00 H new ATOM 0 HA TRP A 12 -12.126 9.082 9.514 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -12.344 11.461 7.637 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -13.617 10.266 7.793 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -13.749 9.868 10.917 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -14.548 11.764 12.486 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -12.867 13.828 7.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.754 14.567 12.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -13.391 16.097 8.611 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.322 16.460 10.860 1.00 0.00 H new ATOM 185 N GLN A 13 -10.540 9.119 6.659 1.00 0.00 N ATOM 186 CA GLN A 13 -10.211 8.324 5.482 1.00 0.00 C ATOM 187 C GLN A 13 -9.297 7.160 5.850 1.00 0.00 C ATOM 188 O GLN A 13 -9.358 6.092 5.240 1.00 0.00 O ATOM 189 CB GLN A 13 -9.539 9.199 4.422 1.00 0.00 C ATOM 190 CG GLN A 13 -10.360 10.416 4.028 1.00 0.00 C ATOM 191 CD GLN A 13 -10.011 10.931 2.645 1.00 0.00 C ATOM 192 OE1 GLN A 13 -10.534 10.450 1.640 1.00 0.00 O ATOM 193 NE2 GLN A 13 -9.122 11.916 2.588 1.00 0.00 N ATOM 0 H GLN A 13 -9.967 9.955 6.778 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.138 7.920 5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.571 9.530 4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.348 8.597 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.419 10.161 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.201 11.209 4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.714 12.285 3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.848 12.304 1.685 1.00 0.00 H new ATOM 202 N VAL A 14 -8.451 7.373 6.853 1.00 0.00 N ATOM 203 CA VAL A 14 -7.525 6.341 7.303 1.00 0.00 C ATOM 204 C VAL A 14 -8.277 5.123 7.832 1.00 0.00 C ATOM 205 O VAL A 14 -8.016 3.993 7.420 1.00 0.00 O ATOM 206 CB VAL A 14 -6.586 6.869 8.405 1.00 0.00 C ATOM 207 CG1 VAL A 14 -5.536 5.827 8.760 1.00 0.00 C ATOM 208 CG2 VAL A 14 -5.928 8.170 7.968 1.00 0.00 C ATOM 0 H VAL A 14 -8.388 8.251 7.369 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.929 6.051 6.438 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.181 7.069 9.296 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.883 6.219 9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.028 4.923 9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.944 5.591 7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.269 8.528 8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.347 7.998 7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.696 8.918 7.770 1.00 0.00 H new ATOM 218 N ASP A 15 -9.212 5.363 8.745 1.00 0.00 N ATOM 219 CA ASP A 15 -10.003 4.286 9.329 1.00 0.00 C ATOM 220 C ASP A 15 -10.995 3.727 8.314 1.00 0.00 C ATOM 221 O ASP A 15 -11.321 2.541 8.338 1.00 0.00 O ATOM 222 CB ASP A 15 -10.750 4.786 10.567 1.00 0.00 C ATOM 223 CG ASP A 15 -9.822 5.032 11.741 1.00 0.00 C ATOM 224 OD1 ASP A 15 -9.076 6.033 11.709 1.00 0.00 O ATOM 225 OD2 ASP A 15 -9.842 4.224 12.693 1.00 0.00 O ATOM 0 H ASP A 15 -9.441 6.293 9.096 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.322 3.487 9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.275 5.709 10.323 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.506 4.055 10.852 1.00 0.00 H new ATOM 230 N GLN A 16 -11.471 4.591 7.423 1.00 0.00 N ATOM 231 CA GLN A 16 -12.426 4.185 6.399 1.00 0.00 C ATOM 232 C GLN A 16 -11.772 3.251 5.386 1.00 0.00 C ATOM 233 O GLN A 16 -12.326 2.208 5.040 1.00 0.00 O ATOM 234 CB GLN A 16 -12.994 5.413 5.685 1.00 0.00 C ATOM 235 CG GLN A 16 -14.232 5.987 6.354 1.00 0.00 C ATOM 236 CD GLN A 16 -15.510 5.624 5.624 1.00 0.00 C ATOM 237 OE1 GLN A 16 -16.157 4.625 5.940 1.00 0.00 O ATOM 238 NE2 GLN A 16 -15.881 6.436 4.641 1.00 0.00 N ATOM 0 H GLN A 16 -11.211 5.577 7.390 1.00 0.00 H new ATOM 0 HA GLN A 16 -13.240 3.650 6.888 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.225 6.184 5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.238 5.145 4.657 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.288 5.623 7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.143 7.072 6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.314 7.253 4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.733 6.243 4.114 1.00 0.00 H new ATOM 247 N ALA A 17 -10.589 3.632 4.914 1.00 0.00 N ATOM 248 CA ALA A 17 -9.859 2.829 3.942 1.00 0.00 C ATOM 249 C ALA A 17 -9.549 1.443 4.497 1.00 0.00 C ATOM 250 O ALA A 17 -9.617 0.446 3.779 1.00 0.00 O ATOM 251 CB ALA A 17 -8.576 3.535 3.531 1.00 0.00 C ATOM 0 H ALA A 17 -10.116 4.493 5.190 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.490 2.706 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.041 2.923 2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.818 4.500 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.948 3.689 4.409 1.00 0.00 H new ATOM 257 N ILE A 18 -9.208 1.389 5.781 1.00 0.00 N ATOM 258 CA ILE A 18 -8.887 0.126 6.433 1.00 0.00 C ATOM 259 C ILE A 18 -10.154 -0.617 6.844 1.00 0.00 C ATOM 260 O ILE A 18 -10.326 -1.794 6.528 1.00 0.00 O ATOM 261 CB ILE A 18 -8.007 0.344 7.679 1.00 0.00 C ATOM 262 CG1 ILE A 18 -6.813 1.236 7.336 1.00 0.00 C ATOM 263 CG2 ILE A 18 -7.535 -0.992 8.235 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.139 1.836 8.551 1.00 0.00 C ATOM 0 H ILE A 18 -9.147 2.205 6.389 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.335 -0.473 5.708 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.602 0.843 8.444 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.082 0.652 6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.147 2.041 6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.915 -0.821 9.115 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.399 -1.596 8.512 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.953 -1.516 7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.301 2.457 8.233 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.855 2.447 9.100 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.774 1.037 9.196 1.00 0.00 H new ATOM 276 N LEU A 19 -11.038 0.079 7.551 1.00 0.00 N ATOM 277 CA LEU A 19 -12.291 -0.514 8.007 1.00 0.00 C ATOM 278 C LEU A 19 -13.127 -0.998 6.826 1.00 0.00 C ATOM 279 O LEU A 19 -13.902 -1.946 6.950 1.00 0.00 O ATOM 280 CB LEU A 19 -13.089 0.499 8.830 1.00 0.00 C ATOM 281 CG LEU A 19 -14.377 -0.044 9.451 1.00 0.00 C ATOM 282 CD1 LEU A 19 -14.094 -0.661 10.812 1.00 0.00 C ATOM 283 CD2 LEU A 19 -15.416 1.061 9.571 1.00 0.00 C ATOM 0 H LEU A 19 -10.910 1.054 7.821 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.050 -1.373 8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.451 0.879 9.628 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.340 1.346 8.191 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.774 -0.821 8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.022 -1.042 11.239 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -13.383 -1.480 10.700 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.674 0.096 11.474 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.326 0.658 10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.027 1.859 10.203 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.640 1.459 8.581 1.00 0.00 H new ATOM 295 N SER A 20 -12.964 -0.342 5.681 1.00 0.00 N ATOM 296 CA SER A 20 -13.705 -0.707 4.478 1.00 0.00 C ATOM 297 C SER A 20 -13.449 -2.163 4.100 1.00 0.00 C ATOM 298 O SER A 20 -14.381 -2.960 3.996 1.00 0.00 O ATOM 299 CB SER A 20 -13.316 0.210 3.317 1.00 0.00 C ATOM 300 OG SER A 20 -14.175 1.334 3.244 1.00 0.00 O ATOM 0 H SER A 20 -12.326 0.445 5.561 1.00 0.00 H new ATOM 0 HA SER A 20 -14.768 -0.587 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.286 0.543 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.359 -0.346 2.380 1.00 0.00 H new ATOM 0 HG SER A 20 -13.853 2.032 3.852 1.00 0.00 H new ATOM 306 N GLU A 21 -12.181 -2.502 3.895 1.00 0.00 N ATOM 307 CA GLU A 21 -11.803 -3.862 3.529 1.00 0.00 C ATOM 308 C GLU A 21 -11.836 -4.781 4.745 1.00 0.00 C ATOM 309 O GLU A 21 -11.188 -4.513 5.757 1.00 0.00 O ATOM 310 CB GLU A 21 -10.408 -3.876 2.902 1.00 0.00 C ATOM 311 CG GLU A 21 -9.319 -3.360 3.830 1.00 0.00 C ATOM 312 CD GLU A 21 -8.622 -4.474 4.586 1.00 0.00 C ATOM 313 OE1 GLU A 21 -9.203 -5.575 4.690 1.00 0.00 O ATOM 314 OE2 GLU A 21 -7.496 -4.245 5.074 1.00 0.00 O ATOM 0 H GLU A 21 -11.398 -1.854 3.976 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.525 -4.229 2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.164 -4.895 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.420 -3.270 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.583 -2.805 3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.755 -2.660 4.542 1.00 0.00 H new ATOM 321 N GLU A 22 -12.595 -5.867 4.640 1.00 0.00 N ATOM 322 CA GLU A 22 -12.712 -6.827 5.732 1.00 0.00 C ATOM 323 C GLU A 22 -11.882 -8.075 5.451 1.00 0.00 C ATOM 324 O GLU A 22 -10.896 -8.344 6.137 1.00 0.00 O ATOM 325 CB GLU A 22 -14.177 -7.212 5.945 1.00 0.00 C ATOM 326 CG GLU A 22 -15.098 -6.018 6.139 1.00 0.00 C ATOM 327 CD GLU A 22 -15.101 -5.512 7.568 1.00 0.00 C ATOM 328 OE1 GLU A 22 -14.127 -5.788 8.299 1.00 0.00 O ATOM 329 OE2 GLU A 22 -16.079 -4.839 7.957 1.00 0.00 O ATOM 0 H GLU A 22 -13.138 -6.104 3.810 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.331 -6.356 6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.521 -7.790 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.250 -7.862 6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.789 -5.213 5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.113 -6.296 5.853 1.00 0.00 H new ATOM 336 N ASP A 23 -12.288 -8.833 4.438 1.00 0.00 N ATOM 337 CA ASP A 23 -11.581 -10.054 4.066 1.00 0.00 C ATOM 338 C ASP A 23 -10.427 -9.747 3.117 1.00 0.00 C ATOM 339 O ASP A 23 -9.403 -10.430 3.128 1.00 0.00 O ATOM 340 CB ASP A 23 -12.545 -11.046 3.413 1.00 0.00 C ATOM 341 CG ASP A 23 -12.257 -12.480 3.812 1.00 0.00 C ATOM 342 OD1 ASP A 23 -11.650 -12.688 4.883 1.00 0.00 O ATOM 343 OD2 ASP A 23 -12.638 -13.396 3.052 1.00 0.00 O ATOM 0 H ASP A 23 -13.102 -8.624 3.860 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.172 -10.499 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.568 -10.792 3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.479 -10.953 2.329 1.00 0.00 H new ATOM 348 N ARG A 24 -10.600 -8.716 2.298 1.00 0.00 N ATOM 349 CA ARG A 24 -9.573 -8.318 1.342 1.00 0.00 C ATOM 350 C ARG A 24 -8.425 -7.599 2.044 1.00 0.00 C ATOM 351 O ARG A 24 -8.422 -7.464 3.267 1.00 0.00 O ATOM 352 CB ARG A 24 -10.174 -7.416 0.262 1.00 0.00 C ATOM 353 CG ARG A 24 -11.189 -8.120 -0.627 1.00 0.00 C ATOM 354 CD ARG A 24 -10.638 -9.423 -1.188 1.00 0.00 C ATOM 355 NE ARG A 24 -11.179 -10.589 -0.494 1.00 0.00 N ATOM 356 CZ ARG A 24 -11.164 -11.823 -0.993 1.00 0.00 C ATOM 357 NH1 ARG A 24 -10.633 -12.057 -2.187 1.00 0.00 N ATOM 358 NH2 ARG A 24 -11.680 -12.826 -0.297 1.00 0.00 N ATOM 0 H ARG A 24 -11.442 -8.140 2.277 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.179 -9.220 0.873 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.653 -6.562 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.370 -7.023 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.094 -8.324 -0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.472 -7.461 -1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.876 -9.490 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.551 -9.423 -1.104 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.593 -10.449 0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.234 -11.289 -2.727 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.624 -13.005 -2.564 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.089 -12.652 0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.668 -13.771 -0.680 1.00 0.00 H new ATOM 372 N VAL A 25 -7.452 -7.139 1.263 1.00 0.00 N ATOM 373 CA VAL A 25 -6.299 -6.435 1.816 1.00 0.00 C ATOM 374 C VAL A 25 -6.282 -4.975 1.372 1.00 0.00 C ATOM 375 O VAL A 25 -7.220 -4.499 0.731 1.00 0.00 O ATOM 376 CB VAL A 25 -4.965 -7.106 1.410 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.419 -7.946 2.554 1.00 0.00 C ATOM 378 CG2 VAL A 25 -5.134 -7.953 0.156 1.00 0.00 C ATOM 0 H VAL A 25 -7.438 -7.241 0.248 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.396 -6.482 2.901 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.247 -6.317 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.481 -8.410 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.244 -7.310 3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.140 -8.722 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.180 -8.412 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.873 -8.733 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.470 -7.322 -0.667 1.00 0.00 H new ATOM 388 N VAL A 26 -5.207 -4.269 1.711 1.00 0.00 N ATOM 389 CA VAL A 26 -5.067 -2.880 1.348 1.00 0.00 C ATOM 390 C VAL A 26 -3.607 -2.440 1.368 1.00 0.00 C ATOM 391 O VAL A 26 -2.797 -2.967 2.130 1.00 0.00 O ATOM 392 CB VAL A 26 -5.891 -1.966 2.275 1.00 0.00 C ATOM 393 CG1 VAL A 26 -5.398 -2.073 3.711 1.00 0.00 C ATOM 394 CG2 VAL A 26 -5.840 -0.524 1.790 1.00 0.00 C ATOM 0 H VAL A 26 -4.421 -4.647 2.240 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.449 -2.785 0.332 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.929 -2.296 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.993 -1.420 4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.496 -3.103 4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.351 -1.773 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.428 0.106 2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.806 -0.179 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.249 -0.465 0.782 1.00 0.00 H new ATOM 404 N VAL A 27 -3.283 -1.471 0.520 1.00 0.00 N ATOM 405 CA VAL A 27 -1.925 -0.950 0.429 1.00 0.00 C ATOM 406 C VAL A 27 -1.861 0.496 0.912 1.00 0.00 C ATOM 407 O VAL A 27 -2.814 1.258 0.751 1.00 0.00 O ATOM 408 CB VAL A 27 -1.395 -1.023 -1.018 1.00 0.00 C ATOM 409 CG1 VAL A 27 0.006 -0.437 -1.113 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.415 -2.459 -1.520 1.00 0.00 C ATOM 0 H VAL A 27 -3.946 -1.029 -0.117 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.299 -1.572 1.069 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.051 -0.428 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.358 -0.500 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.014 0.607 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.680 -0.997 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.038 -2.492 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.785 -3.077 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.437 -2.838 -1.498 1.00 0.00 H new ATOM 420 N ILE A 28 -0.730 0.866 1.503 1.00 0.00 N ATOM 421 CA ILE A 28 -0.540 2.220 2.007 1.00 0.00 C ATOM 422 C ILE A 28 0.892 2.693 1.782 1.00 0.00 C ATOM 423 O ILE A 28 1.814 2.263 2.474 1.00 0.00 O ATOM 424 CB ILE A 28 -0.869 2.313 3.510 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.226 1.668 3.800 1.00 0.00 C ATOM 426 CG2 ILE A 28 -0.856 3.764 3.967 1.00 0.00 C ATOM 427 CD1 ILE A 28 -3.392 2.402 3.173 1.00 0.00 C ATOM 0 H ILE A 28 0.068 0.247 1.644 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.225 2.862 1.453 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.105 1.771 4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.216 0.641 3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.374 1.622 4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.090 3.813 5.030 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.131 4.191 3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.600 4.329 3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.321 1.888 3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.428 3.422 3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.268 2.425 2.090 1.00 0.00 H new ATOM 439 N ARG A 29 1.070 3.580 0.808 1.00 0.00 N ATOM 440 CA ARG A 29 2.391 4.111 0.491 1.00 0.00 C ATOM 441 C ARG A 29 2.718 5.316 1.368 1.00 0.00 C ATOM 442 O ARG A 29 1.823 6.033 1.815 1.00 0.00 O ATOM 443 CB ARG A 29 2.463 4.502 -0.988 1.00 0.00 C ATOM 444 CG ARG A 29 3.490 3.706 -1.776 1.00 0.00 C ATOM 445 CD ARG A 29 3.501 4.107 -3.243 1.00 0.00 C ATOM 446 NE ARG A 29 2.151 4.215 -3.792 1.00 0.00 N ATOM 447 CZ ARG A 29 1.365 3.169 -4.039 1.00 0.00 C ATOM 448 NH1 ARG A 29 1.791 1.937 -3.790 1.00 0.00 N ATOM 449 NH2 ARG A 29 0.151 3.356 -4.537 1.00 0.00 N ATOM 0 H ARG A 29 0.317 3.946 0.225 1.00 0.00 H new ATOM 0 HA ARG A 29 3.128 3.332 0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.481 4.362 -1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.701 5.563 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.480 3.863 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.271 2.642 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.015 5.062 -3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.067 3.372 -3.815 1.00 0.00 H new ATOM 0 HE ARG A 29 1.790 5.146 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.725 1.788 -3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.185 1.139 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.181 4.301 -4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.451 2.555 -4.726 1.00 0.00 H new ATOM 463 N PHE A 30 4.007 5.532 1.609 1.00 0.00 N ATOM 464 CA PHE A 30 4.455 6.651 2.431 1.00 0.00 C ATOM 465 C PHE A 30 5.210 7.675 1.590 1.00 0.00 C ATOM 466 O PHE A 30 5.625 7.387 0.468 1.00 0.00 O ATOM 467 CB PHE A 30 5.347 6.150 3.568 1.00 0.00 C ATOM 468 CG PHE A 30 4.585 5.771 4.806 1.00 0.00 C ATOM 469 CD1 PHE A 30 3.915 4.560 4.879 1.00 0.00 C ATOM 470 CD2 PHE A 30 4.538 6.625 5.896 1.00 0.00 C ATOM 471 CE1 PHE A 30 3.213 4.208 6.016 1.00 0.00 C ATOM 472 CE2 PHE A 30 3.838 6.279 7.036 1.00 0.00 C ATOM 473 CZ PHE A 30 3.175 5.069 7.096 1.00 0.00 C ATOM 0 H PHE A 30 4.760 4.947 1.247 1.00 0.00 H new ATOM 0 HA PHE A 30 3.575 7.134 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.913 5.286 3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.071 6.925 3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.942 3.884 4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.055 7.572 5.854 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.695 3.261 6.060 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.809 6.954 7.879 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.627 4.796 7.986 1.00 0.00 H new ATOM 483 N GLY A 31 5.384 8.873 2.140 1.00 0.00 N ATOM 484 CA GLY A 31 6.089 9.921 1.426 1.00 0.00 C ATOM 485 C GLY A 31 5.165 10.761 0.567 1.00 0.00 C ATOM 486 O GLY A 31 3.957 10.806 0.803 1.00 0.00 O ATOM 0 H GLY A 31 5.049 9.136 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.599 10.565 2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.858 9.473 0.796 1.00 0.00 H new ATOM 490 N HIS A 32 5.732 11.430 -0.431 1.00 0.00 N ATOM 491 CA HIS A 32 4.951 12.274 -1.328 1.00 0.00 C ATOM 492 C HIS A 32 4.814 11.628 -2.703 1.00 0.00 C ATOM 493 O HIS A 32 5.769 11.056 -3.229 1.00 0.00 O ATOM 494 CB HIS A 32 5.603 13.652 -1.462 1.00 0.00 C ATOM 495 CG HIS A 32 5.490 14.490 -0.226 1.00 0.00 C ATOM 496 ND1 HIS A 32 4.424 14.769 0.561 1.00 0.00 N flip ATOM 497 CD2 HIS A 32 6.560 15.156 0.332 1.00 0.00 C flip ATOM 498 CE1 HIS A 32 4.866 15.590 1.569 1.00 0.00 C flip ATOM 499 NE2 HIS A 32 6.158 15.808 1.408 1.00 0.00 N flip ATOM 0 H HIS A 32 6.730 11.404 -0.639 1.00 0.00 H new ATOM 0 HA HIS A 32 3.955 12.390 -0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.657 13.524 -1.709 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.143 14.183 -2.295 1.00 0.00 H new ATOM 0 HD1 HIS A 32 3.470 14.432 0.430 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.570 15.146 -0.051 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.256 15.992 2.364 1.00 0.00 H new ATOM 508 N ASP A 33 3.620 11.722 -3.279 1.00 0.00 N ATOM 509 CA ASP A 33 3.358 11.147 -4.593 1.00 0.00 C ATOM 510 C ASP A 33 4.244 11.788 -5.656 1.00 0.00 C ATOM 511 O ASP A 33 4.633 11.140 -6.628 1.00 0.00 O ATOM 512 CB ASP A 33 1.885 11.326 -4.966 1.00 0.00 C ATOM 513 CG ASP A 33 1.484 12.785 -5.056 1.00 0.00 C ATOM 514 OD1 ASP A 33 1.413 13.448 -4.000 1.00 0.00 O ATOM 515 OD2 ASP A 33 1.241 13.265 -6.184 1.00 0.00 O ATOM 0 H ASP A 33 2.819 12.191 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 33 3.589 10.083 -4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.694 10.840 -5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.262 10.826 -4.224 1.00 0.00 H new ATOM 520 N TRP A 34 4.560 13.064 -5.464 1.00 0.00 N ATOM 521 CA TRP A 34 5.400 13.795 -6.406 1.00 0.00 C ATOM 522 C TRP A 34 6.764 13.127 -6.557 1.00 0.00 C ATOM 523 O TRP A 34 7.421 13.263 -7.589 1.00 0.00 O ATOM 524 CB TRP A 34 5.578 15.243 -5.945 1.00 0.00 C ATOM 525 CG TRP A 34 4.491 16.156 -6.424 1.00 0.00 C ATOM 526 CD1 TRP A 34 4.369 16.703 -7.668 1.00 0.00 C ATOM 527 CD2 TRP A 34 3.373 16.630 -5.664 1.00 0.00 C ATOM 528 NE1 TRP A 34 3.243 17.488 -7.730 1.00 0.00 N ATOM 529 CE2 TRP A 34 2.615 17.460 -6.513 1.00 0.00 C ATOM 530 CE3 TRP A 34 2.939 16.434 -4.350 1.00 0.00 C ATOM 531 CZ2 TRP A 34 1.449 18.091 -6.089 1.00 0.00 C ATOM 532 CZ3 TRP A 34 1.781 17.061 -3.931 1.00 0.00 C ATOM 533 CH2 TRP A 34 1.047 17.881 -4.798 1.00 0.00 C ATOM 0 H TRP A 34 4.247 13.614 -4.664 1.00 0.00 H new ATOM 0 HA TRP A 34 4.903 13.786 -7.376 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.611 15.269 -4.856 1.00 0.00 H new ATOM 0 HB3 TRP A 34 6.539 15.615 -6.302 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.057 16.542 -8.485 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.926 18.007 -8.549 1.00 0.00 H new ATOM 0 HE3 TRP A 34 3.498 15.804 -3.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.882 18.724 -6.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.436 16.916 -2.918 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.146 18.357 -4.440 1.00 0.00 H new ATOM 544 N ASP A 35 7.186 12.405 -5.522 1.00 0.00 N ATOM 545 CA ASP A 35 8.473 11.718 -5.542 1.00 0.00 C ATOM 546 C ASP A 35 8.559 10.751 -6.722 1.00 0.00 C ATOM 547 O ASP A 35 7.547 10.208 -7.165 1.00 0.00 O ATOM 548 CB ASP A 35 8.690 10.962 -4.231 1.00 0.00 C ATOM 549 CG ASP A 35 8.975 11.891 -3.067 1.00 0.00 C ATOM 550 OD1 ASP A 35 8.610 13.083 -3.156 1.00 0.00 O ATOM 551 OD2 ASP A 35 9.561 11.428 -2.067 1.00 0.00 O ATOM 0 H ASP A 35 6.655 12.281 -4.660 1.00 0.00 H new ATOM 0 HA ASP A 35 9.255 12.469 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.805 10.366 -4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.521 10.267 -4.349 1.00 0.00 H new ATOM 556 N PRO A 36 9.776 10.520 -7.246 1.00 0.00 N ATOM 557 CA PRO A 36 9.989 9.611 -8.378 1.00 0.00 C ATOM 558 C PRO A 36 9.547 8.187 -8.061 1.00 0.00 C ATOM 559 O PRO A 36 8.801 7.573 -8.823 1.00 0.00 O ATOM 560 CB PRO A 36 11.504 9.655 -8.608 1.00 0.00 C ATOM 561 CG PRO A 36 11.970 10.898 -7.932 1.00 0.00 C ATOM 562 CD PRO A 36 11.036 11.122 -6.778 1.00 0.00 C ATOM 0 HA PRO A 36 9.408 9.912 -9.250 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.991 8.774 -8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.740 9.674 -9.672 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.998 10.791 -7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.951 11.745 -8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.398 10.643 -5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.918 12.182 -6.555 1.00 0.00 H new ATOM 570 N THR A 37 10.016 7.669 -6.931 1.00 0.00 N ATOM 571 CA THR A 37 9.679 6.321 -6.505 1.00 0.00 C ATOM 572 C THR A 37 8.168 6.130 -6.459 1.00 0.00 C ATOM 573 O THR A 37 7.659 5.035 -6.699 1.00 0.00 O ATOM 574 CB THR A 37 10.284 6.034 -5.130 1.00 0.00 C ATOM 575 OG1 THR A 37 11.691 6.200 -5.157 1.00 0.00 O ATOM 576 CG2 THR A 37 9.997 4.635 -4.628 1.00 0.00 C ATOM 0 H THR A 37 10.634 8.168 -6.292 1.00 0.00 H new ATOM 0 HA THR A 37 10.094 5.621 -7.230 1.00 0.00 H new ATOM 0 HB THR A 37 9.814 6.748 -4.454 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.103 5.607 -4.494 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.455 4.499 -3.648 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.920 4.491 -4.548 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.410 3.906 -5.326 1.00 0.00 H new ATOM 584 N CYS A 38 7.458 7.209 -6.150 1.00 0.00 N ATOM 585 CA CYS A 38 6.003 7.171 -6.072 1.00 0.00 C ATOM 586 C CYS A 38 5.385 7.066 -7.463 1.00 0.00 C ATOM 587 O CYS A 38 4.303 6.505 -7.632 1.00 0.00 O ATOM 588 CB CYS A 38 5.477 8.418 -5.359 1.00 0.00 C ATOM 589 SG CYS A 38 5.231 8.202 -3.581 1.00 0.00 S ATOM 0 H CYS A 38 7.867 8.122 -5.949 1.00 0.00 H new ATOM 0 HA CYS A 38 5.718 6.287 -5.501 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.176 9.238 -5.521 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.530 8.711 -5.813 1.00 0.00 H new ATOM 0 HG CYS A 38 5.519 9.310 -2.965 1.00 0.00 H new ATOM 595 N MET A 39 6.081 7.610 -8.457 1.00 0.00 N ATOM 596 CA MET A 39 5.600 7.578 -9.833 1.00 0.00 C ATOM 597 C MET A 39 5.612 6.155 -10.383 1.00 0.00 C ATOM 598 O MET A 39 4.671 5.731 -11.053 1.00 0.00 O ATOM 599 CB MET A 39 6.458 8.486 -10.716 1.00 0.00 C ATOM 600 CG MET A 39 6.199 9.968 -10.499 1.00 0.00 C ATOM 601 SD MET A 39 7.215 11.013 -11.560 1.00 0.00 S ATOM 602 CE MET A 39 6.994 10.205 -13.143 1.00 0.00 C ATOM 0 H MET A 39 6.979 8.078 -8.335 1.00 0.00 H new ATOM 0 HA MET A 39 4.572 7.941 -9.840 1.00 0.00 H new ATOM 0 HB2 MET A 39 7.510 8.278 -10.523 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.272 8.243 -11.762 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.147 10.180 -10.687 1.00 0.00 H new ATOM 0 HG3 MET A 39 6.393 10.218 -9.456 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.248 10.899 -13.944 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.644 9.332 -13.200 1.00 0.00 H new ATOM 0 HE3 MET A 39 5.955 9.892 -13.250 1.00 0.00 H new ATOM 612 N LYS A 40 6.685 5.423 -10.099 1.00 0.00 N ATOM 613 CA LYS A 40 6.818 4.049 -10.568 1.00 0.00 C ATOM 614 C LYS A 40 5.783 3.143 -9.906 1.00 0.00 C ATOM 615 O LYS A 40 5.198 2.273 -10.554 1.00 0.00 O ATOM 616 CB LYS A 40 8.227 3.525 -10.284 1.00 0.00 C ATOM 617 CG LYS A 40 8.629 2.352 -11.162 1.00 0.00 C ATOM 618 CD LYS A 40 9.490 2.800 -12.331 1.00 0.00 C ATOM 619 CE LYS A 40 10.080 1.613 -13.076 1.00 0.00 C ATOM 620 NZ LYS A 40 11.411 1.223 -12.534 1.00 0.00 N ATOM 0 H LYS A 40 7.474 5.759 -9.547 1.00 0.00 H new ATOM 0 HA LYS A 40 6.644 4.042 -11.644 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.942 4.335 -10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.289 3.223 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.175 1.621 -10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.735 1.854 -11.537 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.891 3.400 -13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.295 3.439 -11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.398 0.766 -13.007 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.177 1.860 -14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.589 0.219 -12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.150 1.805 -12.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.424 1.372 -11.505 1.00 0.00 H new ATOM 634 N MET A 41 5.559 3.354 -8.614 1.00 0.00 N ATOM 635 CA MET A 41 4.593 2.557 -7.868 1.00 0.00 C ATOM 636 C MET A 41 3.168 2.976 -8.212 1.00 0.00 C ATOM 637 O MET A 41 2.255 2.151 -8.237 1.00 0.00 O ATOM 638 CB MET A 41 4.831 2.707 -6.364 1.00 0.00 C ATOM 639 CG MET A 41 6.275 2.478 -5.951 1.00 0.00 C ATOM 640 SD MET A 41 6.662 3.208 -4.348 1.00 0.00 S ATOM 641 CE MET A 41 7.895 2.060 -3.742 1.00 0.00 C ATOM 0 H MET A 41 6.033 4.069 -8.062 1.00 0.00 H new ATOM 0 HA MET A 41 4.725 1.512 -8.147 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.528 3.707 -6.055 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.193 2.001 -5.832 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.473 1.407 -5.916 1.00 0.00 H new ATOM 0 HG3 MET A 41 6.937 2.900 -6.707 1.00 0.00 H new ATOM 0 HE1 MET A 41 8.182 2.336 -2.727 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.483 1.051 -3.740 1.00 0.00 H new ATOM 0 HE3 MET A 41 8.772 2.093 -4.389 1.00 0.00 H new ATOM 651 N ASP A 42 2.987 4.265 -8.474 1.00 0.00 N ATOM 652 CA ASP A 42 1.674 4.802 -8.815 1.00 0.00 C ATOM 653 C ASP A 42 1.328 4.524 -10.275 1.00 0.00 C ATOM 654 O ASP A 42 0.188 4.189 -10.598 1.00 0.00 O ATOM 655 CB ASP A 42 1.631 6.307 -8.547 1.00 0.00 C ATOM 656 CG ASP A 42 1.588 6.630 -7.067 1.00 0.00 C ATOM 657 OD1 ASP A 42 1.150 5.763 -6.282 1.00 0.00 O ATOM 658 OD2 ASP A 42 1.992 7.751 -6.692 1.00 0.00 O ATOM 0 H ASP A 42 3.734 4.959 -8.457 1.00 0.00 H new ATOM 0 HA ASP A 42 0.935 4.305 -8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.507 6.778 -8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.755 6.735 -9.035 1.00 0.00 H new ATOM 663 N GLU A 43 2.316 4.665 -11.156 1.00 0.00 N ATOM 664 CA GLU A 43 2.105 4.428 -12.580 1.00 0.00 C ATOM 665 C GLU A 43 1.665 2.989 -12.827 1.00 0.00 C ATOM 666 O GLU A 43 0.765 2.733 -13.628 1.00 0.00 O ATOM 667 CB GLU A 43 3.382 4.734 -13.370 1.00 0.00 C ATOM 668 CG GLU A 43 4.500 3.730 -13.144 1.00 0.00 C ATOM 669 CD GLU A 43 5.732 4.028 -13.978 1.00 0.00 C ATOM 670 OE1 GLU A 43 5.662 4.929 -14.841 1.00 0.00 O ATOM 671 OE2 GLU A 43 6.766 3.360 -13.767 1.00 0.00 O ATOM 0 H GLU A 43 3.266 4.941 -10.909 1.00 0.00 H new ATOM 0 HA GLU A 43 1.314 5.095 -12.923 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.142 4.763 -14.433 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.738 5.727 -13.096 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.773 3.727 -12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.138 2.730 -13.382 1.00 0.00 H new ATOM 678 N VAL A 44 2.300 2.054 -12.129 1.00 0.00 N ATOM 679 CA VAL A 44 1.969 0.641 -12.268 1.00 0.00 C ATOM 680 C VAL A 44 0.613 0.341 -11.636 1.00 0.00 C ATOM 681 O VAL A 44 -0.168 -0.453 -12.161 1.00 0.00 O ATOM 682 CB VAL A 44 3.044 -0.255 -11.621 1.00 0.00 C ATOM 683 CG1 VAL A 44 3.137 0.010 -10.125 1.00 0.00 C ATOM 684 CG2 VAL A 44 2.752 -1.723 -11.894 1.00 0.00 C ATOM 0 H VAL A 44 3.046 2.249 -11.462 1.00 0.00 H new ATOM 0 HA VAL A 44 1.928 0.421 -13.335 1.00 0.00 H new ATOM 0 HB VAL A 44 4.008 -0.011 -12.068 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.901 -0.633 -9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.401 1.054 -9.956 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.175 -0.201 -9.658 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.522 -2.340 -11.429 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.778 -1.984 -11.479 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.746 -1.899 -12.970 1.00 0.00 H new ATOM 694 N LEU A 45 0.343 0.988 -10.505 1.00 0.00 N ATOM 695 CA LEU A 45 -0.916 0.804 -9.787 1.00 0.00 C ATOM 696 C LEU A 45 -2.113 0.943 -10.725 1.00 0.00 C ATOM 697 O LEU A 45 -3.010 0.100 -10.733 1.00 0.00 O ATOM 698 CB LEU A 45 -1.024 1.820 -8.647 1.00 0.00 C ATOM 699 CG LEU A 45 -0.968 1.223 -7.241 1.00 0.00 C ATOM 700 CD1 LEU A 45 -2.090 0.215 -7.045 1.00 0.00 C ATOM 701 CD2 LEU A 45 0.385 0.573 -6.992 1.00 0.00 C ATOM 0 H LEU A 45 0.983 1.648 -10.064 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.924 -0.205 -9.374 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.217 2.545 -8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.960 2.367 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.100 2.028 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.035 -0.200 -6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.052 0.710 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.989 -0.588 -7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.407 0.153 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.547 -0.221 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.172 1.321 -7.090 1.00 0.00 H new ATOM 713 N TYR A 46 -2.121 2.015 -11.511 1.00 0.00 N ATOM 714 CA TYR A 46 -3.208 2.269 -12.450 1.00 0.00 C ATOM 715 C TYR A 46 -3.377 1.106 -13.423 1.00 0.00 C ATOM 716 O TYR A 46 -4.492 0.783 -13.833 1.00 0.00 O ATOM 717 CB TYR A 46 -2.949 3.563 -13.225 1.00 0.00 C ATOM 718 CG TYR A 46 -4.203 4.354 -13.522 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.811 5.123 -12.537 1.00 0.00 C ATOM 720 CD2 TYR A 46 -4.778 4.331 -14.786 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.958 5.847 -12.805 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.924 5.053 -15.061 1.00 0.00 C ATOM 723 CZ TYR A 46 -6.510 5.809 -14.068 1.00 0.00 C ATOM 724 OH TYR A 46 -7.651 6.528 -14.338 1.00 0.00 O ATOM 0 H TYR A 46 -1.386 2.722 -11.516 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.129 2.373 -11.876 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.263 4.188 -12.653 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.452 3.320 -14.164 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.381 5.156 -11.547 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.322 3.740 -15.566 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.419 6.439 -12.029 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.359 5.025 -16.049 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.909 6.394 -15.274 1.00 0.00 H new ATOM 734 N SER A 47 -2.263 0.482 -13.788 1.00 0.00 N ATOM 735 CA SER A 47 -2.288 -0.645 -14.714 1.00 0.00 C ATOM 736 C SER A 47 -2.440 -1.973 -13.972 1.00 0.00 C ATOM 737 O SER A 47 -2.417 -3.040 -14.587 1.00 0.00 O ATOM 738 CB SER A 47 -1.011 -0.665 -15.557 1.00 0.00 C ATOM 739 OG SER A 47 -1.006 0.393 -16.500 1.00 0.00 O ATOM 0 H SER A 47 -1.332 0.737 -13.458 1.00 0.00 H new ATOM 0 HA SER A 47 -3.151 -0.520 -15.367 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.141 -0.581 -14.906 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.929 -1.620 -16.076 1.00 0.00 H new ATOM 0 HG SER A 47 -0.179 0.359 -17.025 1.00 0.00 H new ATOM 745 N ILE A 48 -2.594 -1.907 -12.651 1.00 0.00 N ATOM 746 CA ILE A 48 -2.747 -3.109 -11.841 1.00 0.00 C ATOM 747 C ILE A 48 -3.705 -2.871 -10.677 1.00 0.00 C ATOM 748 O ILE A 48 -3.532 -3.429 -9.593 1.00 0.00 O ATOM 749 CB ILE A 48 -1.389 -3.585 -11.286 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.777 -2.511 -10.383 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.442 -3.928 -12.427 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.944 -2.797 -8.907 1.00 0.00 C ATOM 0 H ILE A 48 -2.616 -1.035 -12.122 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.158 -3.881 -12.492 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.551 -4.484 -10.691 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.285 -2.419 -10.609 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.236 -1.549 -10.613 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.512 -4.262 -12.020 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.876 -4.723 -13.034 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.283 -3.045 -13.046 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.487 -1.995 -8.327 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.005 -2.859 -8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.460 -3.743 -8.663 1.00 0.00 H new ATOM 764 N ALA A 49 -4.714 -2.037 -10.907 1.00 0.00 N ATOM 765 CA ALA A 49 -5.696 -1.724 -9.875 1.00 0.00 C ATOM 766 C ALA A 49 -7.046 -2.365 -10.182 1.00 0.00 C ATOM 767 O ALA A 49 -7.524 -3.216 -9.432 1.00 0.00 O ATOM 768 CB ALA A 49 -5.847 -0.217 -9.732 1.00 0.00 C ATOM 0 H ALA A 49 -4.873 -1.566 -11.798 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.336 -2.136 -8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.583 0.003 -8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.888 0.220 -9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.179 0.207 -10.680 1.00 0.00 H new ATOM 774 N GLU A 50 -7.658 -1.946 -11.286 1.00 0.00 N ATOM 775 CA GLU A 50 -8.956 -2.471 -11.694 1.00 0.00 C ATOM 776 C GLU A 50 -8.985 -3.997 -11.634 1.00 0.00 C ATOM 777 O GLU A 50 -10.035 -4.599 -11.408 1.00 0.00 O ATOM 778 CB GLU A 50 -9.295 -2.002 -13.110 1.00 0.00 C ATOM 779 CG GLU A 50 -10.020 -0.667 -13.151 1.00 0.00 C ATOM 780 CD GLU A 50 -10.440 -0.274 -14.554 1.00 0.00 C ATOM 781 OE1 GLU A 50 -9.578 -0.288 -15.458 1.00 0.00 O ATOM 782 OE2 GLU A 50 -11.632 0.046 -14.749 1.00 0.00 O ATOM 0 H GLU A 50 -7.274 -1.242 -11.916 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.702 -2.089 -10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.374 -1.924 -13.688 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.913 -2.757 -13.596 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.902 -0.717 -12.512 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.372 0.107 -12.740 1.00 0.00 H new ATOM 789 N LYS A 51 -7.827 -4.616 -11.838 1.00 0.00 N ATOM 790 CA LYS A 51 -7.721 -6.070 -11.809 1.00 0.00 C ATOM 791 C LYS A 51 -7.898 -6.605 -10.390 1.00 0.00 C ATOM 792 O LYS A 51 -8.371 -7.724 -10.194 1.00 0.00 O ATOM 793 CB LYS A 51 -6.367 -6.514 -12.366 1.00 0.00 C ATOM 794 CG LYS A 51 -5.188 -5.757 -11.777 1.00 0.00 C ATOM 795 CD LYS A 51 -3.873 -6.462 -12.067 1.00 0.00 C ATOM 796 CE LYS A 51 -3.739 -7.745 -11.263 1.00 0.00 C ATOM 797 NZ LYS A 51 -4.111 -8.944 -12.064 1.00 0.00 N ATOM 0 H LYS A 51 -6.948 -4.133 -12.025 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.517 -6.477 -12.432 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.236 -7.579 -12.174 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.368 -6.383 -13.448 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.160 -4.748 -12.189 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.319 -5.658 -10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.808 -6.690 -13.131 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.043 -5.796 -11.832 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.712 -7.848 -10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.374 -7.688 -10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.800 -9.515 -11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.532 -8.642 -12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.261 -9.513 -12.252 1.00 0.00 H new ATOM 811 N VAL A 52 -7.513 -5.800 -9.406 1.00 0.00 N ATOM 812 CA VAL A 52 -7.628 -6.195 -8.006 1.00 0.00 C ATOM 813 C VAL A 52 -8.676 -5.360 -7.276 1.00 0.00 C ATOM 814 O VAL A 52 -8.595 -5.167 -6.063 1.00 0.00 O ATOM 815 CB VAL A 52 -6.281 -6.058 -7.272 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.364 -7.222 -7.615 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.619 -4.730 -7.609 1.00 0.00 C ATOM 0 H VAL A 52 -7.119 -4.871 -9.551 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.935 -7.241 -8.001 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.471 -6.079 -6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.417 -7.107 -7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.836 -8.158 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.181 -7.236 -8.689 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.669 -4.653 -7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.442 -4.674 -8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.271 -3.911 -7.305 1.00 0.00 H new ATOM 827 N LYS A 53 -9.657 -4.865 -8.024 1.00 0.00 N ATOM 828 CA LYS A 53 -10.720 -4.049 -7.456 1.00 0.00 C ATOM 829 C LYS A 53 -11.387 -4.750 -6.275 1.00 0.00 C ATOM 830 O LYS A 53 -11.546 -4.166 -5.203 1.00 0.00 O ATOM 831 CB LYS A 53 -11.764 -3.721 -8.525 1.00 0.00 C ATOM 832 CG LYS A 53 -11.507 -2.405 -9.242 1.00 0.00 C ATOM 833 CD LYS A 53 -12.317 -1.272 -8.633 1.00 0.00 C ATOM 834 CE LYS A 53 -11.541 0.034 -8.640 1.00 0.00 C ATOM 835 NZ LYS A 53 -12.129 1.036 -7.709 1.00 0.00 N ATOM 0 H LYS A 53 -9.736 -5.017 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.273 -3.123 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.786 -4.527 -9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.749 -3.686 -8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.445 -2.163 -9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.760 -2.509 -10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.246 -1.147 -9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.591 -1.528 -7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.505 -0.158 -8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.527 0.442 -9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.570 1.912 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.109 1.239 -7.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.119 0.658 -6.740 1.00 0.00 H new ATOM 849 N ASN A 54 -11.777 -6.004 -6.480 1.00 0.00 N ATOM 850 CA ASN A 54 -12.430 -6.782 -5.433 1.00 0.00 C ATOM 851 C ASN A 54 -11.429 -7.672 -4.700 1.00 0.00 C ATOM 852 O ASN A 54 -11.802 -8.692 -4.121 1.00 0.00 O ATOM 853 CB ASN A 54 -13.549 -7.638 -6.029 1.00 0.00 C ATOM 854 CG ASN A 54 -14.757 -6.814 -6.429 1.00 0.00 C ATOM 855 OD1 ASN A 54 -14.779 -6.201 -7.496 1.00 0.00 O ATOM 856 ND2 ASN A 54 -15.771 -6.796 -5.572 1.00 0.00 N ATOM 0 H ASN A 54 -11.652 -6.503 -7.361 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.856 -6.083 -4.713 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.170 -8.170 -6.902 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.852 -8.392 -5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.611 -6.259 -5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.710 -7.319 -4.699 1.00 0.00 H new ATOM 863 N PHE A 55 -10.159 -7.281 -4.728 1.00 0.00 N ATOM 864 CA PHE A 55 -9.110 -8.047 -4.063 1.00 0.00 C ATOM 865 C PHE A 55 -8.417 -7.209 -2.992 1.00 0.00 C ATOM 866 O PHE A 55 -8.013 -7.725 -1.949 1.00 0.00 O ATOM 867 CB PHE A 55 -8.084 -8.542 -5.084 1.00 0.00 C ATOM 868 CG PHE A 55 -8.437 -9.869 -5.693 1.00 0.00 C ATOM 869 CD1 PHE A 55 -8.689 -10.970 -4.890 1.00 0.00 C ATOM 870 CD2 PHE A 55 -8.517 -10.015 -7.069 1.00 0.00 C ATOM 871 CE1 PHE A 55 -9.014 -12.192 -5.447 1.00 0.00 C ATOM 872 CE2 PHE A 55 -8.842 -11.235 -7.632 1.00 0.00 C ATOM 873 CZ PHE A 55 -9.091 -12.325 -6.820 1.00 0.00 C ATOM 0 H PHE A 55 -9.831 -6.440 -5.203 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.575 -8.907 -3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.987 -7.801 -5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.110 -8.621 -4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.631 -10.872 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.323 -9.166 -7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.208 -13.042 -4.810 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.901 -11.336 -8.706 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.345 -13.279 -7.258 1.00 0.00 H new ATOM 883 N ALA A 56 -8.282 -5.914 -3.257 1.00 0.00 N ATOM 884 CA ALA A 56 -7.639 -5.006 -2.315 1.00 0.00 C ATOM 885 C ALA A 56 -7.714 -3.564 -2.804 1.00 0.00 C ATOM 886 O ALA A 56 -8.247 -3.289 -3.879 1.00 0.00 O ATOM 887 CB ALA A 56 -6.191 -5.417 -2.093 1.00 0.00 C ATOM 0 H ALA A 56 -8.609 -5.470 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.172 -5.067 -1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.722 -4.731 -1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.158 -6.430 -1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.654 -5.385 -3.041 1.00 0.00 H new ATOM 893 N VAL A 57 -7.173 -2.647 -2.008 1.00 0.00 N ATOM 894 CA VAL A 57 -7.176 -1.233 -2.363 1.00 0.00 C ATOM 895 C VAL A 57 -5.821 -0.598 -2.074 1.00 0.00 C ATOM 896 O VAL A 57 -4.901 -1.271 -1.614 1.00 0.00 O ATOM 897 CB VAL A 57 -8.269 -0.462 -1.597 1.00 0.00 C ATOM 898 CG1 VAL A 57 -9.650 -0.844 -2.109 1.00 0.00 C ATOM 899 CG2 VAL A 57 -8.156 -0.716 -0.101 1.00 0.00 C ATOM 0 H VAL A 57 -6.728 -2.858 -1.115 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.385 -1.172 -3.431 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.125 0.604 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.409 -0.290 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.724 -0.603 -3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.807 -1.913 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.936 -0.163 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.272 -1.782 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.179 -0.386 0.251 1.00 0.00 H new ATOM 909 N ILE A 58 -5.704 0.697 -2.346 1.00 0.00 N ATOM 910 CA ILE A 58 -4.457 1.416 -2.112 1.00 0.00 C ATOM 911 C ILE A 58 -4.726 2.865 -1.717 1.00 0.00 C ATOM 912 O ILE A 58 -5.818 3.385 -1.944 1.00 0.00 O ATOM 913 CB ILE A 58 -3.547 1.399 -3.358 1.00 0.00 C ATOM 914 CG1 ILE A 58 -3.550 0.014 -4.010 1.00 0.00 C ATOM 915 CG2 ILE A 58 -2.129 1.806 -2.983 1.00 0.00 C ATOM 916 CD1 ILE A 58 -4.774 -0.252 -4.859 1.00 0.00 C ATOM 0 H ILE A 58 -6.456 1.270 -2.728 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.949 0.903 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.937 2.118 -4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.659 -0.089 -4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.486 -0.746 -3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.499 1.789 -3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.138 2.812 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.733 1.108 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.708 -1.251 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.668 -0.182 -4.240 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.828 0.485 -5.660 1.00 0.00 H new ATOM 928 N TYR A 59 -3.721 3.512 -1.135 1.00 0.00 N ATOM 929 CA TYR A 59 -3.838 4.897 -0.716 1.00 0.00 C ATOM 930 C TYR A 59 -2.509 5.412 -0.174 1.00 0.00 C ATOM 931 O TYR A 59 -1.957 4.855 0.775 1.00 0.00 O ATOM 932 CB TYR A 59 -4.930 5.053 0.346 1.00 0.00 C ATOM 933 CG TYR A 59 -6.287 5.413 -0.218 1.00 0.00 C ATOM 934 CD1 TYR A 59 -6.476 6.594 -0.925 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.378 4.571 -0.042 1.00 0.00 C ATOM 936 CE1 TYR A 59 -7.715 6.925 -1.440 1.00 0.00 C ATOM 937 CE2 TYR A 59 -8.620 4.896 -0.554 1.00 0.00 C ATOM 938 CZ TYR A 59 -8.783 6.074 -1.252 1.00 0.00 C ATOM 939 OH TYR A 59 -10.018 6.401 -1.763 1.00 0.00 O ATOM 0 H TYR A 59 -2.811 3.092 -0.943 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.113 5.488 -1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.015 4.121 0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.626 5.823 1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.642 7.264 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.254 3.647 0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.846 7.847 -1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.458 4.231 -0.408 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.661 5.694 -1.543 1.00 0.00 H new ATOM 949 N LEU A 60 -2.001 6.478 -0.782 1.00 0.00 N ATOM 950 CA LEU A 60 -0.735 7.067 -0.357 1.00 0.00 C ATOM 951 C LEU A 60 -0.889 7.771 0.987 1.00 0.00 C ATOM 952 O LEU A 60 -2.000 7.924 1.495 1.00 0.00 O ATOM 953 CB LEU A 60 -0.220 8.057 -1.408 1.00 0.00 C ATOM 954 CG LEU A 60 -0.581 7.725 -2.858 1.00 0.00 C ATOM 955 CD1 LEU A 60 0.141 8.661 -3.814 1.00 0.00 C ATOM 956 CD2 LEU A 60 -0.245 6.275 -3.174 1.00 0.00 C ATOM 0 H LEU A 60 -2.445 6.952 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.010 6.260 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.611 9.047 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.865 8.115 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.655 7.864 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.127 8.411 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.149 9.690 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.218 8.554 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.509 6.058 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.822 6.109 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.808 5.618 -2.511 1.00 0.00 H new ATOM 968 N VAL A 61 0.233 8.198 1.557 1.00 0.00 N ATOM 969 CA VAL A 61 0.222 8.886 2.842 1.00 0.00 C ATOM 970 C VAL A 61 1.404 9.841 2.964 1.00 0.00 C ATOM 971 O VAL A 61 2.559 9.416 2.980 1.00 0.00 O ATOM 972 CB VAL A 61 0.261 7.889 4.015 1.00 0.00 C ATOM 973 CG1 VAL A 61 0.048 8.609 5.337 1.00 0.00 C ATOM 974 CG2 VAL A 61 -0.780 6.796 3.821 1.00 0.00 C ATOM 0 H VAL A 61 1.161 8.080 1.149 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.708 9.453 2.888 1.00 0.00 H new ATOM 0 HB VAL A 61 1.246 7.422 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.079 7.887 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.834 9.351 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.922 9.106 5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.738 6.101 4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.773 7.244 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.576 6.260 2.894 1.00 0.00 H new ATOM 984 N ASP A 62 1.107 11.134 3.049 1.00 0.00 N ATOM 985 CA ASP A 62 2.146 12.150 3.170 1.00 0.00 C ATOM 986 C ASP A 62 2.827 12.070 4.533 1.00 0.00 C ATOM 987 O ASP A 62 2.180 12.216 5.570 1.00 0.00 O ATOM 988 CB ASP A 62 1.552 13.544 2.965 1.00 0.00 C ATOM 989 CG ASP A 62 1.003 13.738 1.565 1.00 0.00 C ATOM 990 OD1 ASP A 62 1.560 13.140 0.620 1.00 0.00 O ATOM 991 OD2 ASP A 62 0.016 14.489 1.413 1.00 0.00 O ATOM 0 H ASP A 62 0.156 11.502 3.036 1.00 0.00 H new ATOM 0 HA ASP A 62 2.893 11.965 2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.755 13.707 3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.318 14.295 3.159 1.00 0.00 H new ATOM 996 N ILE A 63 4.136 11.839 4.522 1.00 0.00 N ATOM 997 CA ILE A 63 4.904 11.740 5.758 1.00 0.00 C ATOM 998 C ILE A 63 5.448 13.104 6.190 1.00 0.00 C ATOM 999 O ILE A 63 6.292 13.190 7.082 1.00 0.00 O ATOM 1000 CB ILE A 63 6.076 10.747 5.608 1.00 0.00 C ATOM 1001 CG1 ILE A 63 6.770 10.530 6.954 1.00 0.00 C ATOM 1002 CG2 ILE A 63 7.068 11.244 4.566 1.00 0.00 C ATOM 1003 CD1 ILE A 63 7.212 9.101 7.182 1.00 0.00 C ATOM 0 H ILE A 63 4.686 11.717 3.672 1.00 0.00 H new ATOM 0 HA ILE A 63 4.222 11.374 6.526 1.00 0.00 H new ATOM 0 HB ILE A 63 5.676 9.791 5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.639 11.185 7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.092 10.824 7.755 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.887 10.531 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.565 11.345 3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.463 12.213 4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.696 9.021 8.155 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.344 8.443 7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.915 8.809 6.402 1.00 0.00 H new ATOM 1015 N THR A 64 4.960 14.167 5.555 1.00 0.00 N ATOM 1016 CA THR A 64 5.399 15.519 5.881 1.00 0.00 C ATOM 1017 C THR A 64 4.236 16.357 6.401 1.00 0.00 C ATOM 1018 O THR A 64 4.389 17.135 7.342 1.00 0.00 O ATOM 1019 CB THR A 64 6.016 16.188 4.652 1.00 0.00 C ATOM 1020 OG1 THR A 64 6.915 15.308 4.000 1.00 0.00 O ATOM 1021 CG2 THR A 64 6.772 17.458 4.977 1.00 0.00 C ATOM 0 H THR A 64 4.262 14.117 4.813 1.00 0.00 H new ATOM 0 HA THR A 64 6.153 15.450 6.665 1.00 0.00 H new ATOM 0 HB THR A 64 5.174 16.441 4.008 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.963 15.535 3.048 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.184 17.881 4.061 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.094 18.178 5.436 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.583 17.232 5.669 1.00 0.00 H new ATOM 1029 N GLU A 65 3.072 16.192 5.781 1.00 0.00 N ATOM 1030 CA GLU A 65 1.881 16.933 6.180 1.00 0.00 C ATOM 1031 C GLU A 65 1.097 16.169 7.243 1.00 0.00 C ATOM 1032 O GLU A 65 0.657 16.746 8.237 1.00 0.00 O ATOM 1033 CB GLU A 65 0.990 17.199 4.965 1.00 0.00 C ATOM 1034 CG GLU A 65 -0.272 17.980 5.295 1.00 0.00 C ATOM 1035 CD GLU A 65 -0.597 19.030 4.251 1.00 0.00 C ATOM 1036 OE1 GLU A 65 0.288 19.856 3.944 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -1.737 19.027 3.740 1.00 0.00 O ATOM 0 H GLU A 65 2.928 15.552 5.000 1.00 0.00 H new ATOM 0 HA GLU A 65 2.200 17.885 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.563 17.749 4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.711 16.247 4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.110 17.289 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.153 18.462 6.265 1.00 0.00 H new ATOM 1044 N VAL A 66 0.926 14.869 7.025 1.00 0.00 N ATOM 1045 CA VAL A 66 0.196 14.026 7.963 1.00 0.00 C ATOM 1046 C VAL A 66 1.133 13.430 9.013 1.00 0.00 C ATOM 1047 O VAL A 66 1.907 12.520 8.716 1.00 0.00 O ATOM 1048 CB VAL A 66 -0.532 12.879 7.236 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -1.443 12.130 8.196 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -1.319 13.415 6.049 1.00 0.00 C ATOM 0 H VAL A 66 1.284 14.377 6.206 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.539 14.663 8.454 1.00 0.00 H new ATOM 0 HB VAL A 66 0.214 12.179 6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.948 11.324 7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.850 11.712 9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.185 12.816 8.604 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.827 12.591 5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.057 14.137 6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.638 13.901 5.350 1.00 0.00 H new ATOM 1060 N PRO A 67 1.078 13.934 10.260 1.00 0.00 N ATOM 1061 CA PRO A 67 1.930 13.438 11.347 1.00 0.00 C ATOM 1062 C PRO A 67 1.552 12.026 11.779 1.00 0.00 C ATOM 1063 O PRO A 67 0.816 11.838 12.748 1.00 0.00 O ATOM 1064 CB PRO A 67 1.674 14.431 12.483 1.00 0.00 C ATOM 1065 CG PRO A 67 0.318 14.981 12.207 1.00 0.00 C ATOM 1066 CD PRO A 67 0.185 15.019 10.710 1.00 0.00 C ATOM 0 HA PRO A 67 2.976 13.374 11.048 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.711 13.939 13.455 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.426 15.220 12.496 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.455 14.355 12.652 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.206 15.977 12.634 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.844 14.850 10.394 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.489 15.984 10.304 1.00 0.00 H new ATOM 1235 N ASP A 77 14.077 7.813 5.417 1.00 0.00 N ATOM 1236 CA ASP A 77 14.051 7.063 4.167 1.00 0.00 C ATOM 1237 C ASP A 77 13.264 7.818 3.097 1.00 0.00 C ATOM 1238 O ASP A 77 12.242 8.438 3.390 1.00 0.00 O ATOM 1239 CB ASP A 77 13.434 5.681 4.391 1.00 0.00 C ATOM 1240 CG ASP A 77 13.458 4.827 3.139 1.00 0.00 C ATOM 1241 OD1 ASP A 77 12.561 4.998 2.286 1.00 0.00 O ATOM 1242 OD2 ASP A 77 14.373 3.986 3.011 1.00 0.00 O ATOM 0 HA ASP A 77 15.078 6.943 3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.975 5.169 5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.404 5.796 4.729 1.00 0.00 H new ATOM 1247 N PRO A 78 13.731 7.778 1.835 1.00 0.00 N ATOM 1248 CA PRO A 78 13.061 8.463 0.725 1.00 0.00 C ATOM 1249 C PRO A 78 11.582 8.104 0.632 1.00 0.00 C ATOM 1250 O PRO A 78 10.714 8.968 0.759 1.00 0.00 O ATOM 1251 CB PRO A 78 13.811 7.961 -0.511 1.00 0.00 C ATOM 1252 CG PRO A 78 15.157 7.574 -0.005 1.00 0.00 C ATOM 1253 CD PRO A 78 14.944 7.063 1.392 1.00 0.00 C ATOM 0 HA PRO A 78 13.085 9.546 0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.300 7.113 -0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.882 8.737 -1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.605 6.807 -0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.835 8.427 -0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 78 14.802 5.982 1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.797 7.282 2.035 1.00 0.00 H new ATOM 1261 N CYS A 79 11.301 6.825 0.408 1.00 0.00 N ATOM 1262 CA CYS A 79 9.926 6.351 0.298 1.00 0.00 C ATOM 1263 C CYS A 79 9.848 4.846 0.531 1.00 0.00 C ATOM 1264 O CYS A 79 10.872 4.168 0.616 1.00 0.00 O ATOM 1265 CB CYS A 79 9.355 6.696 -1.079 1.00 0.00 C ATOM 1266 SG CYS A 79 8.609 8.340 -1.179 1.00 0.00 S ATOM 0 H CYS A 79 12.007 6.097 0.299 1.00 0.00 H new ATOM 0 HA CYS A 79 9.334 6.850 1.065 1.00 0.00 H new ATOM 0 HB2 CYS A 79 10.152 6.625 -1.819 1.00 0.00 H new ATOM 0 HB3 CYS A 79 8.605 5.952 -1.346 1.00 0.00 H new ATOM 0 HG CYS A 79 9.234 9.150 -0.377 1.00 0.00 H new ATOM 1272 N THR A 80 8.627 4.331 0.634 1.00 0.00 N ATOM 1273 CA THR A 80 8.414 2.905 0.857 1.00 0.00 C ATOM 1274 C THR A 80 6.924 2.576 0.879 1.00 0.00 C ATOM 1275 O THR A 80 6.093 3.437 1.167 1.00 0.00 O ATOM 1276 CB THR A 80 9.063 2.471 2.173 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.956 1.069 2.346 1.00 0.00 O ATOM 1278 CG2 THR A 80 8.452 3.132 3.389 1.00 0.00 C ATOM 0 H THR A 80 7.770 4.880 0.567 1.00 0.00 H new ATOM 0 HA THR A 80 8.877 2.360 0.034 1.00 0.00 H new ATOM 0 HB THR A 80 10.105 2.781 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.378 0.811 3.192 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.959 2.780 4.288 1.00 0.00 H new ATOM 0 HG22 THR A 80 8.563 4.213 3.310 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.393 2.880 3.447 1.00 0.00 H new ATOM 1286 N VAL A 81 6.593 1.325 0.573 1.00 0.00 N ATOM 1287 CA VAL A 81 5.203 0.884 0.559 1.00 0.00 C ATOM 1288 C VAL A 81 4.943 -0.147 1.652 1.00 0.00 C ATOM 1289 O VAL A 81 5.871 -0.786 2.149 1.00 0.00 O ATOM 1290 CB VAL A 81 4.821 0.277 -0.804 1.00 0.00 C ATOM 1291 CG1 VAL A 81 3.323 0.018 -0.873 1.00 0.00 C ATOM 1292 CG2 VAL A 81 5.267 1.187 -1.939 1.00 0.00 C ATOM 0 H VAL A 81 7.268 0.600 0.332 1.00 0.00 H new ATOM 0 HA VAL A 81 4.589 1.766 0.741 1.00 0.00 H new ATOM 0 HB VAL A 81 5.336 -0.678 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.072 -0.411 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.037 -0.678 -0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.785 0.957 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.988 0.741 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.784 2.159 -1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.349 1.314 -1.900 1.00 0.00 H new ATOM 1302 N MET A 82 3.676 -0.304 2.024 1.00 0.00 N ATOM 1303 CA MET A 82 3.298 -1.258 3.060 1.00 0.00 C ATOM 1304 C MET A 82 1.925 -1.862 2.776 1.00 0.00 C ATOM 1305 O MET A 82 1.251 -1.477 1.820 1.00 0.00 O ATOM 1306 CB MET A 82 3.293 -0.578 4.431 1.00 0.00 C ATOM 1307 CG MET A 82 4.636 -0.630 5.140 1.00 0.00 C ATOM 1308 SD MET A 82 5.622 0.855 4.870 1.00 0.00 S ATOM 1309 CE MET A 82 5.198 1.813 6.323 1.00 0.00 C ATOM 0 H MET A 82 2.895 0.216 1.624 1.00 0.00 H new ATOM 0 HA MET A 82 4.034 -2.062 3.061 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.996 0.464 4.310 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.541 -1.053 5.060 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.473 -0.764 6.209 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.193 -1.500 4.791 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.586 2.826 6.217 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.114 1.849 6.432 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.636 1.348 7.206 1.00 0.00 H new ATOM 1319 N PHE A 83 1.519 -2.810 3.614 1.00 0.00 N ATOM 1320 CA PHE A 83 0.228 -3.472 3.459 1.00 0.00 C ATOM 1321 C PHE A 83 -0.580 -3.391 4.751 1.00 0.00 C ATOM 1322 O PHE A 83 -0.016 -3.274 5.839 1.00 0.00 O ATOM 1323 CB PHE A 83 0.428 -4.936 3.061 1.00 0.00 C ATOM 1324 CG PHE A 83 0.357 -5.169 1.580 1.00 0.00 C ATOM 1325 CD1 PHE A 83 1.361 -4.708 0.743 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -0.713 -5.851 1.024 1.00 0.00 C ATOM 1327 CE1 PHE A 83 1.298 -4.922 -0.621 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -0.782 -6.068 -0.339 1.00 0.00 C ATOM 1329 CZ PHE A 83 0.225 -5.603 -1.162 1.00 0.00 C ATOM 0 H PHE A 83 2.067 -3.138 4.410 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.325 -2.960 2.671 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.397 -5.275 3.428 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.330 -5.545 3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.202 -4.175 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.503 -6.217 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.086 -4.557 -1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.622 -6.600 -0.760 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.173 -5.772 -2.227 1.00 0.00 H new ATOM 1339 N PHE A 84 -1.902 -3.455 4.627 1.00 0.00 N ATOM 1340 CA PHE A 84 -2.779 -3.391 5.790 1.00 0.00 C ATOM 1341 C PHE A 84 -3.888 -4.433 5.693 1.00 0.00 C ATOM 1342 O PHE A 84 -4.612 -4.493 4.699 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.382 -1.990 5.925 1.00 0.00 C ATOM 1344 CG PHE A 84 -2.740 -1.163 7.003 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.553 -0.489 6.763 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -3.325 -1.058 8.255 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -0.961 0.273 7.752 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -2.737 -0.298 9.248 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.553 0.369 8.996 1.00 0.00 C ATOM 0 H PHE A 84 -2.388 -3.551 3.735 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.183 -3.606 6.677 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.287 -1.469 4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.448 -2.080 6.134 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.085 -0.560 5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.251 -1.576 8.457 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.036 0.793 7.552 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.202 -0.225 10.220 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.092 0.964 9.770 1.00 0.00 H new ATOM 1359 N PHE A 85 -4.014 -5.254 6.730 1.00 0.00 N ATOM 1360 CA PHE A 85 -5.033 -6.295 6.762 1.00 0.00 C ATOM 1361 C PHE A 85 -5.550 -6.507 8.181 1.00 0.00 C ATOM 1362 O PHE A 85 -4.806 -6.368 9.151 1.00 0.00 O ATOM 1363 CB PHE A 85 -4.470 -7.605 6.213 1.00 0.00 C ATOM 1364 CG PHE A 85 -5.510 -8.672 6.016 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -6.727 -8.371 5.426 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -5.270 -9.975 6.422 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -7.685 -9.350 5.244 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -6.224 -10.958 6.243 1.00 0.00 C ATOM 1369 CZ PHE A 85 -7.433 -10.645 5.653 1.00 0.00 C ATOM 0 H PHE A 85 -3.422 -5.218 7.560 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.865 -5.973 6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.978 -7.408 5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.705 -7.976 6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.929 -7.360 5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.326 -10.225 6.884 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.630 -9.103 4.783 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.025 -11.970 6.564 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.180 -11.412 5.512 1.00 0.00 H new ATOM 1379 N ARG A 86 -6.831 -6.847 8.293 1.00 0.00 N ATOM 1380 CA ARG A 86 -7.453 -7.081 9.593 1.00 0.00 C ATOM 1381 C ARG A 86 -7.201 -5.913 10.543 1.00 0.00 C ATOM 1382 O ARG A 86 -7.164 -6.088 11.761 1.00 0.00 O ATOM 1383 CB ARG A 86 -6.920 -8.376 10.209 1.00 0.00 C ATOM 1384 CG ARG A 86 -7.903 -9.051 11.153 1.00 0.00 C ATOM 1385 CD ARG A 86 -8.557 -10.264 10.510 1.00 0.00 C ATOM 1386 NE ARG A 86 -9.945 -10.005 10.135 1.00 0.00 N ATOM 1387 CZ ARG A 86 -10.309 -9.379 9.018 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -9.392 -8.946 8.161 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -11.594 -9.185 8.756 1.00 0.00 N ATOM 0 H ARG A 86 -7.459 -6.967 7.498 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.528 -7.171 9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.663 -9.070 9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.000 -8.159 10.751 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.384 -9.356 12.062 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.672 -8.337 11.449 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.991 -10.554 9.625 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.520 -11.105 11.202 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.680 -10.323 10.767 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.402 -9.092 8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.678 -8.467 7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.303 -9.515 9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.873 -8.705 7.900 1.00 0.00 H new ATOM 1403 N ASN A 87 -7.028 -4.722 9.978 1.00 0.00 N ATOM 1404 CA ASN A 87 -6.778 -3.527 10.777 1.00 0.00 C ATOM 1405 C ASN A 87 -5.511 -3.686 11.612 1.00 0.00 C ATOM 1406 O ASN A 87 -5.402 -3.127 12.703 1.00 0.00 O ATOM 1407 CB ASN A 87 -7.972 -3.240 11.689 1.00 0.00 C ATOM 1408 CG ASN A 87 -7.965 -1.820 12.221 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -6.925 -1.162 12.252 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -9.129 -1.340 12.643 1.00 0.00 N ATOM 0 H ASN A 87 -7.056 -4.559 8.972 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.639 -2.687 10.096 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.896 -3.414 11.138 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.963 -3.939 12.526 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -9.186 -0.390 13.011 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.966 -1.921 12.599 1.00 0.00 H new ATOM 1417 N LYS A 88 -4.557 -4.451 11.091 1.00 0.00 N ATOM 1418 CA LYS A 88 -3.298 -4.683 11.788 1.00 0.00 C ATOM 1419 C LYS A 88 -2.159 -3.913 11.127 1.00 0.00 C ATOM 1420 O LYS A 88 -2.390 -3.052 10.278 1.00 0.00 O ATOM 1421 CB LYS A 88 -2.974 -6.178 11.813 1.00 0.00 C ATOM 1422 CG LYS A 88 -2.366 -6.647 13.125 1.00 0.00 C ATOM 1423 CD LYS A 88 -3.418 -7.248 14.043 1.00 0.00 C ATOM 1424 CE LYS A 88 -3.003 -7.152 15.503 1.00 0.00 C ATOM 1425 NZ LYS A 88 -2.235 -8.351 15.941 1.00 0.00 N ATOM 0 H LYS A 88 -4.632 -4.920 10.189 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.406 -4.325 12.812 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.887 -6.742 11.623 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.284 -6.405 11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.591 -7.387 12.924 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.883 -5.807 13.624 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.367 -6.731 13.898 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.580 -8.293 13.778 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.396 -6.258 15.650 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.890 -7.041 16.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.970 -8.247 16.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.823 -9.201 15.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.375 -8.443 15.363 1.00 0.00 H new ATOM 1439 N HIS A 89 -0.929 -4.229 11.520 1.00 0.00 N ATOM 1440 CA HIS A 89 0.245 -3.566 10.965 1.00 0.00 C ATOM 1441 C HIS A 89 1.061 -4.530 10.109 1.00 0.00 C ATOM 1442 O HIS A 89 1.734 -5.420 10.628 1.00 0.00 O ATOM 1443 CB HIS A 89 1.117 -3.002 12.089 1.00 0.00 C ATOM 1444 CG HIS A 89 2.029 -1.902 11.643 1.00 0.00 C ATOM 1445 ND1 HIS A 89 2.453 -1.757 10.339 1.00 0.00 N ATOM 1446 CD2 HIS A 89 2.601 -0.889 12.337 1.00 0.00 C ATOM 1447 CE1 HIS A 89 3.245 -0.704 10.249 1.00 0.00 C ATOM 1448 NE2 HIS A 89 3.351 -0.160 11.447 1.00 0.00 N ATOM 0 H HIS A 89 -0.720 -4.940 12.221 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.097 -2.747 10.333 1.00 0.00 H new ATOM 0 HB2 HIS A 89 0.473 -2.629 12.885 1.00 0.00 H new ATOM 0 HB3 HIS A 89 1.714 -3.809 12.514 1.00 0.00 H new ATOM 0 HD2 HIS A 89 2.488 -0.692 13.393 1.00 0.00 H new ATOM 0 HE1 HIS A 89 3.724 -0.349 9.349 1.00 0.00 H new ATOM 0 HE2 HIS A 89 3.901 0.668 11.675 1.00 0.00 H new ATOM 1457 N ILE A 90 0.997 -4.344 8.795 1.00 0.00 N ATOM 1458 CA ILE A 90 1.731 -5.195 7.865 1.00 0.00 C ATOM 1459 C ILE A 90 2.599 -4.360 6.929 1.00 0.00 C ATOM 1460 O ILE A 90 2.312 -3.188 6.682 1.00 0.00 O ATOM 1461 CB ILE A 90 0.777 -6.065 7.022 1.00 0.00 C ATOM 1462 CG1 ILE A 90 -0.307 -6.683 7.909 1.00 0.00 C ATOM 1463 CG2 ILE A 90 1.556 -7.150 6.294 1.00 0.00 C ATOM 1464 CD1 ILE A 90 -1.291 -7.546 7.149 1.00 0.00 C ATOM 0 H ILE A 90 0.444 -3.611 8.350 1.00 0.00 H new ATOM 0 HA ILE A 90 2.366 -5.846 8.466 1.00 0.00 H new ATOM 0 HB ILE A 90 0.292 -5.431 6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.168 -7.284 8.684 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.851 -5.885 8.414 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.870 -7.756 5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.292 -6.690 5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.065 -7.783 7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.030 -7.951 7.841 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.794 -6.944 6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.759 -8.366 6.666 1.00 0.00 H new ATOM 1476 N MET A 91 3.662 -4.968 6.411 1.00 0.00 N ATOM 1477 CA MET A 91 4.569 -4.275 5.503 1.00 0.00 C ATOM 1478 C MET A 91 4.443 -4.820 4.082 1.00 0.00 C ATOM 1479 O MET A 91 3.687 -4.288 3.269 1.00 0.00 O ATOM 1480 CB MET A 91 6.013 -4.399 5.997 1.00 0.00 C ATOM 1481 CG MET A 91 6.312 -3.551 7.222 1.00 0.00 C ATOM 1482 SD MET A 91 7.100 -1.984 6.806 1.00 0.00 S ATOM 1483 CE MET A 91 8.822 -2.475 6.750 1.00 0.00 C ATOM 0 H MET A 91 3.916 -5.937 6.604 1.00 0.00 H new ATOM 0 HA MET A 91 4.293 -3.221 5.486 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.220 -5.444 6.229 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.689 -4.111 5.192 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.384 -3.355 7.759 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.959 -4.111 7.897 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.439 -1.611 6.503 1.00 0.00 H new ATOM 0 HE2 MET A 91 9.120 -2.868 7.722 1.00 0.00 H new ATOM 0 HE3 MET A 91 8.956 -3.245 5.991 1.00 0.00 H new ATOM 1493 N ILE A 92 5.187 -5.882 3.788 1.00 0.00 N ATOM 1494 CA ILE A 92 5.157 -6.497 2.466 1.00 0.00 C ATOM 1495 C ILE A 92 5.645 -5.525 1.395 1.00 0.00 C ATOM 1496 O ILE A 92 5.287 -4.348 1.399 1.00 0.00 O ATOM 1497 CB ILE A 92 3.740 -6.979 2.101 1.00 0.00 C ATOM 1498 CG1 ILE A 92 3.169 -7.845 3.225 1.00 0.00 C ATOM 1499 CG2 ILE A 92 3.761 -7.752 0.790 1.00 0.00 C ATOM 1500 CD1 ILE A 92 1.688 -8.123 3.083 1.00 0.00 C ATOM 0 H ILE A 92 5.819 -6.335 4.449 1.00 0.00 H new ATOM 0 HA ILE A 92 5.826 -7.357 2.503 1.00 0.00 H new ATOM 0 HB ILE A 92 3.098 -6.107 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.707 -8.793 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.347 -7.350 4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.752 -8.085 0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.131 -7.107 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.415 -8.618 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.353 -8.742 3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.139 -7.181 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.504 -8.646 2.144 1.00 0.00 H new ATOM 1512 N ASP A 93 6.467 -6.027 0.479 1.00 0.00 N ATOM 1513 CA ASP A 93 7.006 -5.205 -0.598 1.00 0.00 C ATOM 1514 C ASP A 93 6.056 -5.179 -1.791 1.00 0.00 C ATOM 1515 O ASP A 93 5.216 -6.065 -1.947 1.00 0.00 O ATOM 1516 CB ASP A 93 8.373 -5.734 -1.033 1.00 0.00 C ATOM 1517 CG ASP A 93 8.319 -7.183 -1.475 1.00 0.00 C ATOM 1518 OD1 ASP A 93 8.079 -8.058 -0.616 1.00 0.00 O ATOM 1519 OD2 ASP A 93 8.515 -7.444 -2.681 1.00 0.00 O ATOM 0 H ASP A 93 6.774 -6.999 0.461 1.00 0.00 H new ATOM 0 HA ASP A 93 7.118 -4.187 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.753 -5.122 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.077 -5.635 -0.207 1.00 0.00 H new ATOM 1524 N LEU A 94 6.195 -4.158 -2.631 1.00 0.00 N ATOM 1525 CA LEU A 94 5.349 -4.018 -3.811 1.00 0.00 C ATOM 1526 C LEU A 94 5.628 -5.135 -4.812 1.00 0.00 C ATOM 1527 O LEU A 94 4.709 -5.804 -5.283 1.00 0.00 O ATOM 1528 CB LEU A 94 5.578 -2.657 -4.474 1.00 0.00 C ATOM 1529 CG LEU A 94 4.882 -1.474 -3.796 1.00 0.00 C ATOM 1530 CD1 LEU A 94 5.050 -0.211 -4.627 1.00 0.00 C ATOM 1531 CD2 LEU A 94 3.406 -1.776 -3.573 1.00 0.00 C ATOM 0 H LEU A 94 6.885 -3.416 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 94 4.309 -4.087 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.650 -2.460 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.238 -2.713 -5.508 1.00 0.00 H new ATOM 0 HG LEU A 94 5.348 -1.312 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.549 0.620 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.111 0.016 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.610 -0.363 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.929 -0.923 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.925 -1.966 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.307 -2.655 -2.937 1.00 0.00 H new ATOM 1543 N GLY A 95 6.904 -5.330 -5.131 1.00 0.00 N ATOM 1544 CA GLY A 95 7.282 -6.366 -6.074 1.00 0.00 C ATOM 1545 C GLY A 95 8.767 -6.671 -6.036 1.00 0.00 C ATOM 1546 O GLY A 95 9.589 -5.839 -6.421 1.00 0.00 O ATOM 0 H GLY A 95 7.682 -4.789 -4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.722 -7.275 -5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.004 -6.056 -7.081 1.00 0.00 H new ATOM 1613 N LYS A 101 12.396 -3.807 1.459 1.00 0.00 N ATOM 1614 CA LYS A 101 11.444 -2.720 1.276 1.00 0.00 C ATOM 1615 C LYS A 101 11.662 -2.013 -0.059 1.00 0.00 C ATOM 1616 O LYS A 101 12.799 -1.818 -0.491 1.00 0.00 O ATOM 1617 CB LYS A 101 11.561 -1.715 2.423 1.00 0.00 C ATOM 1618 CG LYS A 101 12.985 -1.249 2.680 1.00 0.00 C ATOM 1619 CD LYS A 101 13.231 -1.001 4.159 1.00 0.00 C ATOM 1620 CE LYS A 101 14.112 0.218 4.381 1.00 0.00 C ATOM 1621 NZ LYS A 101 13.311 1.433 4.695 1.00 0.00 N ATOM 0 HA LYS A 101 10.442 -3.149 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.938 -0.848 2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.165 -2.167 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.686 -1.999 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.176 -0.334 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.278 -0.860 4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.703 -1.878 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.806 0.020 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.712 0.399 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.659 2.234 4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.311 1.258 4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.402 1.657 5.706 1.00 0.00 H new ATOM 1635 N ILE A 102 10.567 -1.631 -0.707 1.00 0.00 N ATOM 1636 CA ILE A 102 10.638 -0.946 -1.992 1.00 0.00 C ATOM 1637 C ILE A 102 10.705 0.566 -1.806 1.00 0.00 C ATOM 1638 O ILE A 102 9.677 1.238 -1.725 1.00 0.00 O ATOM 1639 CB ILE A 102 9.428 -1.290 -2.881 1.00 0.00 C ATOM 1640 CG1 ILE A 102 9.234 -2.805 -2.953 1.00 0.00 C ATOM 1641 CG2 ILE A 102 9.611 -0.708 -4.274 1.00 0.00 C ATOM 1642 CD1 ILE A 102 10.452 -3.549 -3.455 1.00 0.00 C ATOM 0 H ILE A 102 9.619 -1.784 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 102 11.548 -1.290 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 102 8.535 -0.849 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.974 -3.177 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.390 -3.024 -3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.748 -0.960 -4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.704 0.376 -4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.512 -1.122 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.241 -4.618 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.700 -3.205 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.294 -3.361 -2.789 1.00 0.00 H new ATOM 1654 N ASN A 103 11.922 1.094 -1.740 1.00 0.00 N ATOM 1655 CA ASN A 103 12.125 2.528 -1.566 1.00 0.00 C ATOM 1656 C ASN A 103 12.528 3.183 -2.884 1.00 0.00 C ATOM 1657 O ASN A 103 12.257 4.362 -3.111 1.00 0.00 O ATOM 1658 CB ASN A 103 13.195 2.788 -0.505 1.00 0.00 C ATOM 1659 CG ASN A 103 14.458 1.985 -0.747 1.00 0.00 C ATOM 1660 OD1 ASN A 103 14.402 0.786 -1.019 1.00 0.00 O ATOM 1661 ND2 ASN A 103 15.606 2.645 -0.650 1.00 0.00 N ATOM 0 H ASN A 103 12.783 0.551 -1.804 1.00 0.00 H new ATOM 0 HA ASN A 103 11.183 2.966 -1.236 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.440 3.850 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.795 2.542 0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.489 2.158 -0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.605 3.639 -0.422 1.00 0.00 H new ATOM 1668 N TRP A 104 13.175 2.409 -3.751 1.00 0.00 N ATOM 1669 CA TRP A 104 13.614 2.913 -5.047 1.00 0.00 C ATOM 1670 C TRP A 104 12.561 2.648 -6.120 1.00 0.00 C ATOM 1671 O TRP A 104 12.489 3.360 -7.121 1.00 0.00 O ATOM 1672 CB TRP A 104 14.940 2.263 -5.447 1.00 0.00 C ATOM 1673 CG TRP A 104 15.652 2.993 -6.545 1.00 0.00 C ATOM 1674 CD1 TRP A 104 16.124 2.462 -7.711 1.00 0.00 C ATOM 1675 CD2 TRP A 104 15.972 4.389 -6.581 1.00 0.00 C ATOM 1676 NE1 TRP A 104 16.719 3.441 -8.469 1.00 0.00 N ATOM 1677 CE2 TRP A 104 16.638 4.633 -7.797 1.00 0.00 C ATOM 1678 CE3 TRP A 104 15.760 5.455 -5.703 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 17.093 5.900 -8.155 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 16.212 6.712 -6.060 1.00 0.00 C ATOM 1681 CH2 TRP A 104 16.871 6.925 -7.277 1.00 0.00 C ATOM 0 H TRP A 104 13.406 1.431 -3.579 1.00 0.00 H new ATOM 0 HA TRP A 104 13.756 3.990 -4.961 1.00 0.00 H new ATOM 0 HB2 TRP A 104 15.590 2.212 -4.573 1.00 0.00 H new ATOM 0 HB3 TRP A 104 14.752 1.237 -5.765 1.00 0.00 H new ATOM 0 HD1 TRP A 104 16.042 1.424 -7.996 1.00 0.00 H new ATOM 0 HE1 TRP A 104 17.151 3.303 -9.383 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.252 5.300 -4.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 17.603 6.067 -9.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.054 7.543 -5.389 1.00 0.00 H new ATOM 0 HH2 TRP A 104 17.211 7.919 -7.528 1.00 0.00 H new ATOM 1692 N ALA A 105 11.745 1.620 -5.902 1.00 0.00 N ATOM 1693 CA ALA A 105 10.694 1.259 -6.847 1.00 0.00 C ATOM 1694 C ALA A 105 11.278 0.783 -8.172 1.00 0.00 C ATOM 1695 O ALA A 105 12.018 1.510 -8.835 1.00 0.00 O ATOM 1696 CB ALA A 105 9.755 2.435 -7.072 1.00 0.00 C ATOM 0 H ALA A 105 11.792 1.022 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 105 10.127 0.434 -6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.977 2.149 -7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.297 2.721 -6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.318 3.278 -7.473 1.00 0.00 H new ATOM 1702 N MET A 106 10.937 -0.444 -8.551 1.00 0.00 N ATOM 1703 CA MET A 106 11.421 -1.029 -9.797 1.00 0.00 C ATOM 1704 C MET A 106 10.860 -2.435 -9.982 1.00 0.00 C ATOM 1705 O MET A 106 11.317 -3.385 -9.346 1.00 0.00 O ATOM 1706 CB MET A 106 12.950 -1.072 -9.808 1.00 0.00 C ATOM 1707 CG MET A 106 13.553 -0.900 -11.192 1.00 0.00 C ATOM 1708 SD MET A 106 15.036 -1.897 -11.432 1.00 0.00 S ATOM 1709 CE MET A 106 15.930 -0.895 -12.618 1.00 0.00 C ATOM 0 H MET A 106 10.325 -1.055 -8.011 1.00 0.00 H new ATOM 0 HA MET A 106 11.080 -0.404 -10.622 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.332 -0.288 -9.154 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.281 -2.023 -9.392 1.00 0.00 H new ATOM 0 HG2 MET A 106 12.812 -1.172 -11.943 1.00 0.00 H new ATOM 0 HG3 MET A 106 13.797 0.151 -11.350 1.00 0.00 H new ATOM 0 HE1 MET A 106 16.873 -1.381 -12.867 1.00 0.00 H new ATOM 0 HE2 MET A 106 15.331 -0.780 -13.522 1.00 0.00 H new ATOM 0 HE3 MET A 106 16.130 0.086 -12.188 1.00 0.00 H new ATOM 1719 N GLU A 107 9.863 -2.562 -10.854 1.00 0.00 N ATOM 1720 CA GLU A 107 9.239 -3.856 -11.117 1.00 0.00 C ATOM 1721 C GLU A 107 8.123 -3.734 -12.152 1.00 0.00 C ATOM 1722 O GLU A 107 7.881 -4.660 -12.927 1.00 0.00 O ATOM 1723 CB GLU A 107 8.682 -4.449 -9.821 1.00 0.00 C ATOM 1724 CG GLU A 107 7.928 -3.444 -8.966 1.00 0.00 C ATOM 1725 CD GLU A 107 8.771 -2.892 -7.833 1.00 0.00 C ATOM 1726 OE1 GLU A 107 9.739 -3.569 -7.427 1.00 0.00 O ATOM 1727 OE2 GLU A 107 8.462 -1.782 -7.350 1.00 0.00 O ATOM 0 H GLU A 107 9.471 -1.787 -11.389 1.00 0.00 H new ATOM 0 HA GLU A 107 10.005 -4.520 -11.518 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.016 -5.276 -10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.504 -4.864 -9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.588 -2.621 -9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.038 -3.919 -8.553 1.00 0.00 H new ATOM 1734 N ASP A 108 7.442 -2.590 -12.157 1.00 0.00 N ATOM 1735 CA ASP A 108 6.352 -2.352 -13.097 1.00 0.00 C ATOM 1736 C ASP A 108 5.225 -3.365 -12.887 1.00 0.00 C ATOM 1737 O ASP A 108 5.066 -3.905 -11.794 1.00 0.00 O ATOM 1738 CB ASP A 108 6.871 -2.419 -14.537 1.00 0.00 C ATOM 1739 CG ASP A 108 8.184 -1.682 -14.716 1.00 0.00 C ATOM 1740 OD1 ASP A 108 9.189 -2.101 -14.104 1.00 0.00 O ATOM 1741 OD2 ASP A 108 8.208 -0.686 -15.469 1.00 0.00 O ATOM 0 H ASP A 108 7.627 -1.815 -11.521 1.00 0.00 H new ATOM 0 HA ASP A 108 5.951 -1.355 -12.915 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.002 -3.462 -14.825 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.125 -1.994 -15.209 1.00 0.00 H new ATOM 1746 N LYS A 109 4.442 -3.619 -13.935 1.00 0.00 N ATOM 1747 CA LYS A 109 3.335 -4.566 -13.848 1.00 0.00 C ATOM 1748 C LYS A 109 3.818 -6.014 -13.949 1.00 0.00 C ATOM 1749 O LYS A 109 3.010 -6.939 -14.022 1.00 0.00 O ATOM 1750 CB LYS A 109 2.313 -4.283 -14.951 1.00 0.00 C ATOM 1751 CG LYS A 109 2.877 -4.431 -16.355 1.00 0.00 C ATOM 1752 CD LYS A 109 2.254 -3.429 -17.313 1.00 0.00 C ATOM 1753 CE LYS A 109 3.172 -3.138 -18.489 1.00 0.00 C ATOM 1754 NZ LYS A 109 4.314 -2.264 -18.100 1.00 0.00 N ATOM 0 H LYS A 109 4.554 -3.183 -14.850 1.00 0.00 H new ATOM 0 HA LYS A 109 2.867 -4.436 -12.872 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.468 -4.961 -14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.929 -3.271 -14.828 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.958 -4.290 -16.331 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.696 -5.443 -16.716 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.303 -3.817 -17.679 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.037 -2.502 -16.782 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.554 -4.076 -18.892 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.602 -2.658 -19.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.798 -1.924 -18.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.960 -1.451 -17.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.983 -2.806 -17.516 1.00 0.00 H new ATOM 1768 N GLN A 110 5.134 -6.213 -13.955 1.00 0.00 N ATOM 1769 CA GLN A 110 5.696 -7.554 -14.047 1.00 0.00 C ATOM 1770 C GLN A 110 5.908 -8.158 -12.661 1.00 0.00 C ATOM 1771 O GLN A 110 5.156 -9.034 -12.234 1.00 0.00 O ATOM 1772 CB GLN A 110 7.021 -7.523 -14.811 1.00 0.00 C ATOM 1773 CG GLN A 110 6.866 -7.176 -16.283 1.00 0.00 C ATOM 1774 CD GLN A 110 8.136 -7.417 -17.075 1.00 0.00 C ATOM 1775 OE1 GLN A 110 9.209 -6.936 -16.712 1.00 0.00 O ATOM 1776 NE2 GLN A 110 8.020 -8.166 -18.165 1.00 0.00 N ATOM 0 H GLN A 110 5.826 -5.466 -13.898 1.00 0.00 H new ATOM 0 HA GLN A 110 4.986 -8.179 -14.588 1.00 0.00 H new ATOM 0 HB2 GLN A 110 7.684 -6.796 -14.343 1.00 0.00 H new ATOM 0 HB3 GLN A 110 7.504 -8.496 -14.725 1.00 0.00 H new ATOM 0 HG2 GLN A 110 6.058 -7.770 -16.710 1.00 0.00 H new ATOM 0 HG3 GLN A 110 6.576 -6.129 -16.377 1.00 0.00 H new ATOM 0 HE21 GLN A 110 7.111 -8.545 -18.429 1.00 0.00 H new ATOM 0 HE22 GLN A 110 8.840 -8.363 -18.738 1.00 0.00 H new ATOM 1785 N GLU A 111 6.941 -7.689 -11.968 1.00 0.00 N ATOM 1786 CA GLU A 111 7.257 -8.191 -10.634 1.00 0.00 C ATOM 1787 C GLU A 111 6.165 -7.829 -9.629 1.00 0.00 C ATOM 1788 O GLU A 111 5.693 -8.684 -8.880 1.00 0.00 O ATOM 1789 CB GLU A 111 8.606 -7.640 -10.166 1.00 0.00 C ATOM 1790 CG GLU A 111 9.620 -8.720 -9.827 1.00 0.00 C ATOM 1791 CD GLU A 111 9.953 -9.600 -11.016 1.00 0.00 C ATOM 1792 OE1 GLU A 111 10.441 -9.064 -12.033 1.00 0.00 O ATOM 1793 OE2 GLU A 111 9.727 -10.825 -10.930 1.00 0.00 O ATOM 0 H GLU A 111 7.573 -6.963 -12.307 1.00 0.00 H new ATOM 0 HA GLU A 111 7.315 -9.278 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 111 9.017 -6.999 -10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.448 -7.013 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.533 -8.253 -9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.230 -9.339 -9.019 1.00 0.00 H new ATOM 1800 N MET A 112 5.771 -6.559 -9.614 1.00 0.00 N ATOM 1801 CA MET A 112 4.739 -6.090 -8.695 1.00 0.00 C ATOM 1802 C MET A 112 3.470 -6.931 -8.813 1.00 0.00 C ATOM 1803 O MET A 112 2.979 -7.471 -7.822 1.00 0.00 O ATOM 1804 CB MET A 112 4.422 -4.617 -8.963 1.00 0.00 C ATOM 1805 CG MET A 112 4.443 -3.754 -7.713 1.00 0.00 C ATOM 1806 SD MET A 112 3.387 -2.299 -7.856 1.00 0.00 S ATOM 1807 CE MET A 112 2.232 -2.585 -6.517 1.00 0.00 C ATOM 0 H MET A 112 6.150 -5.837 -10.227 1.00 0.00 H new ATOM 0 HA MET A 112 5.120 -6.194 -7.679 1.00 0.00 H new ATOM 0 HB2 MET A 112 5.143 -4.223 -9.679 1.00 0.00 H new ATOM 0 HB3 MET A 112 3.439 -4.544 -9.428 1.00 0.00 H new ATOM 0 HG2 MET A 112 4.120 -4.350 -6.859 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.466 -3.437 -7.512 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.311 -3.011 -6.915 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.672 -3.277 -5.799 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.009 -1.640 -6.021 1.00 0.00 H new ATOM 1817 N VAL A 113 2.945 -7.042 -10.030 1.00 0.00 N ATOM 1818 CA VAL A 113 1.734 -7.821 -10.273 1.00 0.00 C ATOM 1819 C VAL A 113 1.857 -9.221 -9.676 1.00 0.00 C ATOM 1820 O VAL A 113 0.909 -9.739 -9.085 1.00 0.00 O ATOM 1821 CB VAL A 113 1.426 -7.922 -11.784 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.371 -8.986 -12.061 1.00 0.00 C ATOM 1823 CG2 VAL A 113 0.975 -6.573 -12.320 1.00 0.00 C ATOM 0 H VAL A 113 3.338 -6.603 -10.863 1.00 0.00 H new ATOM 0 HA VAL A 113 0.910 -7.300 -9.785 1.00 0.00 H new ATOM 0 HB VAL A 113 2.341 -8.217 -12.298 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.175 -9.034 -13.132 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.731 -9.955 -11.714 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.549 -8.732 -11.535 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.761 -6.658 -13.385 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.075 -6.255 -11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.765 -5.838 -12.166 1.00 0.00 H new ATOM 1833 N ASP A 114 3.030 -9.825 -9.829 1.00 0.00 N ATOM 1834 CA ASP A 114 3.272 -11.161 -9.297 1.00 0.00 C ATOM 1835 C ASP A 114 3.107 -11.173 -7.781 1.00 0.00 C ATOM 1836 O ASP A 114 2.479 -12.072 -7.220 1.00 0.00 O ATOM 1837 CB ASP A 114 4.675 -11.639 -9.675 1.00 0.00 C ATOM 1838 CG ASP A 114 4.701 -12.356 -11.011 1.00 0.00 C ATOM 1839 OD1 ASP A 114 3.638 -12.855 -11.438 1.00 0.00 O ATOM 1840 OD2 ASP A 114 5.784 -12.419 -11.630 1.00 0.00 O ATOM 0 H ASP A 114 3.826 -9.412 -10.315 1.00 0.00 H new ATOM 0 HA ASP A 114 2.539 -11.840 -9.733 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.350 -10.784 -9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.049 -12.307 -8.900 1.00 0.00 H new ATOM 1845 N ILE A 115 3.668 -10.163 -7.125 1.00 0.00 N ATOM 1846 CA ILE A 115 3.579 -10.051 -5.676 1.00 0.00 C ATOM 1847 C ILE A 115 2.153 -9.727 -5.251 1.00 0.00 C ATOM 1848 O ILE A 115 1.551 -10.444 -4.452 1.00 0.00 O ATOM 1849 CB ILE A 115 4.535 -8.959 -5.138 1.00 0.00 C ATOM 1850 CG1 ILE A 115 5.934 -9.540 -4.923 1.00 0.00 C ATOM 1851 CG2 ILE A 115 4.007 -8.350 -3.841 1.00 0.00 C ATOM 1852 CD1 ILE A 115 5.965 -10.695 -3.945 1.00 0.00 C ATOM 0 H ILE A 115 4.189 -9.410 -7.575 1.00 0.00 H new ATOM 0 HA ILE A 115 3.873 -11.012 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 115 4.592 -8.164 -5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 115 6.331 -9.875 -5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.595 -8.751 -4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.701 -7.587 -3.489 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.032 -7.898 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.911 -9.130 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 115 6.988 -11.057 -3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.599 -10.360 -2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 115 5.331 -11.501 -4.314 1.00 0.00 H new ATOM 1864 N ILE A 116 1.625 -8.632 -5.786 1.00 0.00 N ATOM 1865 CA ILE A 116 0.275 -8.201 -5.456 1.00 0.00 C ATOM 1866 C ILE A 116 -0.727 -9.334 -5.654 1.00 0.00 C ATOM 1867 O ILE A 116 -1.619 -9.538 -4.831 1.00 0.00 O ATOM 1868 CB ILE A 116 -0.152 -6.988 -6.308 1.00 0.00 C ATOM 1869 CG1 ILE A 116 0.885 -5.869 -6.195 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -1.525 -6.488 -5.882 1.00 0.00 C ATOM 1871 CD1 ILE A 116 1.317 -5.313 -7.533 1.00 0.00 C ATOM 0 H ILE A 116 2.112 -8.029 -6.449 1.00 0.00 H new ATOM 0 HA ILE A 116 0.282 -7.909 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.212 -7.303 -7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.473 -5.061 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.761 -6.247 -5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.807 -5.632 -6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.258 -7.284 -6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.494 -6.189 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.053 -4.524 -7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.759 -6.109 -8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.451 -4.905 -8.054 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.569 -10.071 -6.749 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.457 -11.187 -7.053 1.00 0.00 C ATOM 1885 C GLU A 117 -1.412 -12.232 -5.943 1.00 0.00 C ATOM 1886 O GLU A 117 -2.423 -12.858 -5.625 1.00 0.00 O ATOM 1887 CB GLU A 117 -1.070 -11.826 -8.388 1.00 0.00 C ATOM 1888 CG GLU A 117 -2.115 -12.787 -8.928 1.00 0.00 C ATOM 1889 CD GLU A 117 -2.300 -12.665 -10.428 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -1.297 -12.793 -11.162 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -3.447 -12.441 -10.869 1.00 0.00 O ATOM 0 H GLU A 117 0.165 -9.915 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.474 -10.802 -7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -0.899 -11.039 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.127 -12.359 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.824 -13.809 -8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.067 -12.599 -8.432 1.00 0.00 H new ATOM 1898 N THR A 118 -0.232 -12.414 -5.357 1.00 0.00 N ATOM 1899 CA THR A 118 -0.056 -13.383 -4.281 1.00 0.00 C ATOM 1900 C THR A 118 -0.529 -12.809 -2.948 1.00 0.00 C ATOM 1901 O THR A 118 -1.309 -13.438 -2.232 1.00 0.00 O ATOM 1902 CB THR A 118 1.411 -13.801 -4.177 1.00 0.00 C ATOM 1903 OG1 THR A 118 1.993 -13.912 -5.464 1.00 0.00 O ATOM 1904 CG2 THR A 118 1.608 -15.123 -3.469 1.00 0.00 C ATOM 0 H THR A 118 0.615 -11.904 -5.609 1.00 0.00 H new ATOM 0 HA THR A 118 -0.661 -14.260 -4.514 1.00 0.00 H new ATOM 0 HB THR A 118 1.893 -13.018 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.228 -13.020 -5.795 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.671 -15.360 -3.430 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.214 -15.055 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.081 -15.908 -4.011 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.053 -11.612 -2.622 1.00 0.00 N ATOM 1913 CA VAL A 119 -0.427 -10.953 -1.375 1.00 0.00 C ATOM 1914 C VAL A 119 -1.934 -10.730 -1.303 1.00 0.00 C ATOM 1915 O VAL A 119 -2.539 -10.854 -0.238 1.00 0.00 O ATOM 1916 CB VAL A 119 0.291 -9.597 -1.219 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -0.070 -8.945 0.109 1.00 0.00 C ATOM 1918 CG2 VAL A 119 1.796 -9.772 -1.343 1.00 0.00 C ATOM 0 H VAL A 119 0.593 -11.078 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.121 -11.613 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.043 -8.939 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.448 -7.990 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.147 -8.780 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.230 -9.598 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.285 -8.805 -1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.149 -10.450 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.035 -10.187 -2.322 1.00 0.00 H new ATOM 1928 N TYR A 120 -2.533 -10.395 -2.440 1.00 0.00 N ATOM 1929 CA TYR A 120 -3.968 -10.149 -2.503 1.00 0.00 C ATOM 1930 C TYR A 120 -4.752 -11.448 -2.368 1.00 0.00 C ATOM 1931 O TYR A 120 -5.326 -11.736 -1.318 1.00 0.00 O ATOM 1932 CB TYR A 120 -4.332 -9.451 -3.815 1.00 0.00 C ATOM 1933 CG TYR A 120 -4.027 -7.967 -3.827 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -2.968 -7.443 -3.093 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -4.802 -7.090 -4.575 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -2.692 -6.089 -3.106 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -4.530 -5.734 -4.593 1.00 0.00 C ATOM 1938 CZ TYR A 120 -3.475 -5.240 -3.857 1.00 0.00 C ATOM 1939 OH TYR A 120 -3.203 -3.891 -3.872 1.00 0.00 O ATOM 0 H TYR A 120 -2.047 -10.288 -3.330 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.235 -9.499 -1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -3.791 -9.929 -4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -5.395 -9.595 -4.009 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -2.351 -8.105 -2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -5.631 -7.473 -5.152 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -1.866 -5.698 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -5.141 -5.066 -5.181 1.00 0.00 H new ATOM 0 HH TYR A 120 -3.848 -3.434 -4.451 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.769 -12.227 -3.440 1.00 0.00 N ATOM 1950 CA ARG A 121 -5.481 -13.501 -3.454 1.00 0.00 C ATOM 1951 C ARG A 121 -5.034 -14.391 -2.297 1.00 0.00 C ATOM 1952 O ARG A 121 -5.808 -15.204 -1.792 1.00 0.00 O ATOM 1953 CB ARG A 121 -5.250 -14.222 -4.784 1.00 0.00 C ATOM 1954 CG ARG A 121 -5.781 -13.461 -5.988 1.00 0.00 C ATOM 1955 CD ARG A 121 -5.464 -14.184 -7.287 1.00 0.00 C ATOM 1956 NE ARG A 121 -6.336 -15.337 -7.499 1.00 0.00 N ATOM 1957 CZ ARG A 121 -6.137 -16.254 -8.443 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -5.098 -16.156 -9.264 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -6.978 -17.271 -8.567 1.00 0.00 N ATOM 0 H ARG A 121 -4.297 -12.000 -4.315 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.545 -13.294 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.181 -14.392 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.727 -15.201 -4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -6.860 -13.336 -5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.345 -12.462 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.569 -13.492 -8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.425 -14.513 -7.275 1.00 0.00 H new ATOM 0 HE ARG A 121 -7.145 -15.446 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.448 -15.375 -9.173 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.950 -16.861 -9.986 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -7.778 -17.351 -7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -6.825 -17.974 -9.290 1.00 0.00 H new ATOM 1973 N GLY A 122 -3.782 -14.230 -1.882 1.00 0.00 N ATOM 1974 CA GLY A 122 -3.255 -15.024 -0.788 1.00 0.00 C ATOM 1975 C GLY A 122 -3.733 -14.534 0.565 1.00 0.00 C ATOM 1976 O GLY A 122 -4.153 -15.328 1.407 1.00 0.00 O ATOM 0 H GLY A 122 -3.123 -13.564 -2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.553 -16.064 -0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -2.166 -14.999 -0.816 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.668 -13.223 0.775 1.00 0.00 N ATOM 1981 CA ALA A 123 -4.097 -12.628 2.035 1.00 0.00 C ATOM 1982 C ALA A 123 -5.576 -12.254 1.991 1.00 0.00 C ATOM 1983 O ALA A 123 -5.953 -11.128 2.316 1.00 0.00 O ATOM 1984 CB ALA A 123 -3.249 -11.406 2.355 1.00 0.00 C ATOM 0 H ALA A 123 -3.322 -12.553 0.088 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.961 -13.368 2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -3.579 -10.971 3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.203 -11.701 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -3.356 -10.670 1.558 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.410 -13.207 1.587 1.00 0.00 N ATOM 1991 CA ARG A 124 -7.847 -12.979 1.501 1.00 0.00 C ATOM 1992 C ARG A 124 -8.552 -13.455 2.768 1.00 0.00 C ATOM 1993 O ARG A 124 -9.586 -12.912 3.156 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.425 -13.697 0.280 1.00 0.00 C ATOM 1995 CG ARG A 124 -8.310 -15.211 0.353 1.00 0.00 C ATOM 1996 CD ARG A 124 -9.309 -15.891 -0.568 1.00 0.00 C ATOM 1997 NE ARG A 124 -8.929 -17.270 -0.866 1.00 0.00 N ATOM 1998 CZ ARG A 124 -9.771 -18.185 -1.342 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -11.040 -17.872 -1.575 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -9.343 -19.416 -1.585 1.00 0.00 N ATOM 0 H ARG A 124 -6.115 -14.144 1.314 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.014 -11.907 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.475 -13.426 0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -7.912 -13.345 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.299 -15.514 0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.476 -15.540 1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -10.296 -15.879 -0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.387 -15.327 -1.498 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.962 -17.548 -0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.374 -16.926 -1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.681 -18.577 -1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -8.369 -19.662 -1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.988 -20.117 -1.950 1.00 0.00 H new