USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 753 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 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 GLN : amide:sc= -0.0977 K(o=-0.098,f=-1) USER MOD Set 2.1: A 52 SER OG : rot -139:sc= -4.51! USER MOD Set 2.2: A 97 TYR OH : rot 30:sc= -2.05! USER MOD Set 3.1: A 33 GLN : amide:sc= -2.87 K(o=-2.8,f=-5.2!) USER MOD Set 3.2: A 37 LYS NZ :NH3+ -119:sc= 0.0256 (180deg=0) USER MOD Set 4.1: A 4 LYS NZ :NH3+ 145:sc= -3.1 (180deg=-6.47!) USER MOD Set 4.2: A 5 SER OG : rot -93:sc= 0.199 USER MOD Set 4.3: A 41 SER OG : rot 156:sc= 0.743 USER MOD Single : A 1 MET CE :methyl -170:sc= -7.53! (180deg=-8.24!) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.24 (180deg=1.93) USER MOD Single : A 6 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.13) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0625 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.45 K(o=-1.4,f=-3.5!) USER MOD Single : A 13 SER OG : rot 89:sc= 0.0661 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -109:sc= -1.73! (180deg=-4.76!) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.561 F(o=-1.1,f=-0.56) USER MOD Single : A 28 SER OG : rot 74:sc= -0.48! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 100:sc= -4.71! USER MOD Single : A 39 THR OG1 : rot -90:sc= 0.877 USER MOD Single : A 42 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.061) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 90:sc= -3.58! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 154:sc= 1.08 USER MOD Single : A 73 MET CE :methyl -121:sc= -3.69! (180deg=-6.06!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.99 X(o=-0.99,f=-0.56) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0156) USER MOD Single : A 86 ASN : amide:sc= -2.2 K(o=-2.2,f=-3!) USER MOD Single : A 88 ASN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= -6.81! (180deg=-7.47!) USER MOD Single : A 96 LYS NZ :NH3+ -99:sc= -2.3! (180deg=-4.09!) USER MOD Single : A 101 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.368) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.480 4.377 13.414 1.00 0.00 N ATOM 2 CA MET A 1 5.459 5.218 12.182 1.00 0.00 C ATOM 3 C MET A 1 5.125 6.660 12.493 1.00 0.00 C ATOM 4 O MET A 1 4.549 6.968 13.537 1.00 0.00 O ATOM 5 CB MET A 1 4.420 4.702 11.176 1.00 0.00 C ATOM 6 CG MET A 1 3.297 3.927 11.790 1.00 0.00 C ATOM 7 SD MET A 1 2.526 4.802 13.159 1.00 0.00 S ATOM 8 CE MET A 1 1.036 3.852 13.321 1.00 0.00 C ATOM 0 H1 MET A 1 5.906 3.453 13.197 1.00 0.00 H new ATOM 0 H2 MET A 1 6.041 4.852 14.149 1.00 0.00 H new ATOM 0 H3 MET A 1 4.508 4.238 13.756 1.00 0.00 H new ATOM 0 HA MET A 1 6.460 5.157 11.755 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.005 5.551 10.633 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.923 4.071 10.444 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.546 3.716 11.029 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.672 2.966 12.142 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.354 4.358 14.004 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.562 3.750 12.345 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.275 2.864 13.713 1.00 0.00 H new ATOM 20 N ASP A 2 5.434 7.534 11.549 1.00 0.00 N ATOM 21 CA ASP A 2 5.107 8.934 11.692 1.00 0.00 C ATOM 22 C ASP A 2 3.638 9.102 11.348 1.00 0.00 C ATOM 23 O ASP A 2 2.879 8.139 11.408 1.00 0.00 O ATOM 24 CB ASP A 2 5.985 9.796 10.783 1.00 0.00 C ATOM 25 CG ASP A 2 6.338 11.128 11.414 1.00 0.00 C ATOM 26 OD1 ASP A 2 7.274 11.165 12.240 1.00 0.00 O ATOM 27 OD2 ASP A 2 5.678 12.136 11.083 1.00 0.00 O ATOM 0 H ASP A 2 5.910 7.295 10.679 1.00 0.00 H new ATOM 0 HA ASP A 2 5.293 9.262 12.715 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.901 9.254 10.548 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.466 9.970 9.840 1.00 0.00 H new ATOM 32 N ILE A 3 3.235 10.306 10.993 1.00 0.00 N ATOM 33 CA ILE A 3 1.847 10.574 10.646 1.00 0.00 C ATOM 34 C ILE A 3 1.505 10.070 9.256 1.00 0.00 C ATOM 35 O ILE A 3 0.477 9.425 9.051 1.00 0.00 O ATOM 36 CB ILE A 3 1.562 12.075 10.748 1.00 0.00 C ATOM 37 CG1 ILE A 3 1.399 12.478 12.220 1.00 0.00 C ATOM 38 CG2 ILE A 3 0.338 12.463 9.930 1.00 0.00 C ATOM 39 CD1 ILE A 3 1.982 11.472 13.198 1.00 0.00 C ATOM 0 H ILE A 3 3.849 11.119 10.936 1.00 0.00 H new ATOM 0 HA ILE A 3 1.218 10.036 11.355 1.00 0.00 H new ATOM 0 HB ILE A 3 2.411 12.618 10.332 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.878 13.444 12.378 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.339 12.609 12.436 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.163 13.535 10.024 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.506 12.213 8.883 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.532 11.920 10.298 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.829 11.825 14.218 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.486 10.510 13.069 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.050 11.358 13.010 1.00 0.00 H new ATOM 51 N LYS A 4 2.375 10.373 8.312 1.00 0.00 N ATOM 52 CA LYS A 4 2.175 9.955 6.924 1.00 0.00 C ATOM 53 C LYS A 4 1.778 8.492 6.888 1.00 0.00 C ATOM 54 O LYS A 4 0.645 8.147 6.571 1.00 0.00 O ATOM 55 CB LYS A 4 3.442 10.144 6.064 1.00 0.00 C ATOM 56 CG LYS A 4 4.424 11.195 6.576 1.00 0.00 C ATOM 57 CD LYS A 4 5.720 10.622 7.171 1.00 0.00 C ATOM 58 CE LYS A 4 5.629 9.160 7.586 1.00 0.00 C ATOM 59 NZ LYS A 4 6.863 8.712 8.288 1.00 0.00 N ATOM 0 H LYS A 4 3.229 10.907 8.473 1.00 0.00 H new ATOM 0 HA LYS A 4 1.388 10.584 6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.961 9.188 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.138 10.415 5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.681 11.864 5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.927 11.799 7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.520 10.730 6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.001 11.217 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.767 9.019 8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.466 8.540 6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.611 8.027 9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.507 8.263 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.334 9.533 8.720 1.00 0.00 H new ATOM 73 N SER A 5 2.733 7.650 7.235 1.00 0.00 N ATOM 74 CA SER A 5 2.529 6.209 7.266 1.00 0.00 C ATOM 75 C SER A 5 1.529 5.802 8.347 1.00 0.00 C ATOM 76 O SER A 5 1.083 4.659 8.375 1.00 0.00 O ATOM 77 CB SER A 5 3.865 5.500 7.506 1.00 0.00 C ATOM 78 OG SER A 5 4.958 6.372 7.274 1.00 0.00 O ATOM 0 H SER A 5 3.672 7.943 7.504 1.00 0.00 H new ATOM 0 HA SER A 5 2.119 5.911 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.904 5.129 8.530 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.943 4.633 6.850 1.00 0.00 H new ATOM 0 HG SER A 5 5.261 6.277 6.347 1.00 0.00 H new ATOM 84 N GLN A 6 1.197 6.724 9.252 1.00 0.00 N ATOM 85 CA GLN A 6 0.276 6.418 10.342 1.00 0.00 C ATOM 86 C GLN A 6 -1.132 6.112 9.887 1.00 0.00 C ATOM 87 O GLN A 6 -1.728 5.138 10.331 1.00 0.00 O ATOM 88 CB GLN A 6 0.228 7.579 11.318 1.00 0.00 C ATOM 89 CG GLN A 6 0.491 7.166 12.741 1.00 0.00 C ATOM 90 CD GLN A 6 -0.149 8.098 13.745 1.00 0.00 C ATOM 91 OE1 GLN A 6 0.518 8.634 14.631 1.00 0.00 O ATOM 92 NE2 GLN A 6 -1.453 8.295 13.611 1.00 0.00 N ATOM 0 H GLN A 6 1.550 7.681 9.251 1.00 0.00 H new ATOM 0 HA GLN A 6 0.664 5.516 10.815 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.964 8.326 11.021 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.751 8.055 11.259 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.114 6.155 12.898 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.567 7.135 12.914 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.965 7.829 12.861 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.945 8.912 14.257 1.00 0.00 H new ATOM 101 N THR A 7 -1.680 6.954 9.042 1.00 0.00 N ATOM 102 CA THR A 7 -3.039 6.752 8.588 1.00 0.00 C ATOM 103 C THR A 7 -3.090 5.697 7.512 1.00 0.00 C ATOM 104 O THR A 7 -4.058 4.947 7.416 1.00 0.00 O ATOM 105 CB THR A 7 -3.677 8.051 8.119 1.00 0.00 C ATOM 106 OG1 THR A 7 -2.740 9.114 8.129 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.838 8.440 8.998 1.00 0.00 C ATOM 0 H THR A 7 -1.214 7.776 8.658 1.00 0.00 H new ATOM 0 HA THR A 7 -3.623 6.399 9.438 1.00 0.00 H new ATOM 0 HB THR A 7 -4.028 7.876 7.102 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.175 9.937 7.822 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.272 9.372 8.636 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.593 7.654 8.972 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.490 8.575 10.022 1.00 0.00 H new ATOM 115 N LEU A 8 -2.025 5.600 6.737 1.00 0.00 N ATOM 116 CA LEU A 8 -1.961 4.579 5.713 1.00 0.00 C ATOM 117 C LEU A 8 -1.820 3.246 6.411 1.00 0.00 C ATOM 118 O LEU A 8 -2.434 2.253 6.022 1.00 0.00 O ATOM 119 CB LEU A 8 -0.795 4.798 4.739 1.00 0.00 C ATOM 120 CG LEU A 8 -0.001 6.083 4.941 1.00 0.00 C ATOM 121 CD1 LEU A 8 1.258 6.074 4.090 1.00 0.00 C ATOM 122 CD2 LEU A 8 -0.869 7.290 4.622 1.00 0.00 C ATOM 0 H LEU A 8 -1.206 6.206 6.796 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.870 4.617 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.112 3.953 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.188 4.791 3.722 1.00 0.00 H new ATOM 0 HG LEU A 8 0.304 6.147 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.811 7.000 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.882 5.226 4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.985 5.990 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.292 8.203 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.202 7.235 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.737 7.299 5.282 1.00 0.00 H new ATOM 134 N TYR A 9 -1.041 3.250 7.489 1.00 0.00 N ATOM 135 CA TYR A 9 -0.864 2.065 8.285 1.00 0.00 C ATOM 136 C TYR A 9 -2.152 1.799 9.037 1.00 0.00 C ATOM 137 O TYR A 9 -2.766 0.743 8.911 1.00 0.00 O ATOM 138 CB TYR A 9 0.277 2.275 9.248 1.00 0.00 C ATOM 139 CG TYR A 9 0.346 1.263 10.349 1.00 0.00 C ATOM 140 CD1 TYR A 9 -0.292 0.032 10.273 1.00 0.00 C ATOM 141 CD2 TYR A 9 1.058 1.564 11.471 1.00 0.00 C ATOM 142 CE1 TYR A 9 -0.203 -0.868 11.320 1.00 0.00 C ATOM 143 CE2 TYR A 9 1.160 0.694 12.515 1.00 0.00 C ATOM 144 CZ TYR A 9 0.527 -0.530 12.445 1.00 0.00 C ATOM 145 OH TYR A 9 0.624 -1.415 13.492 1.00 0.00 O ATOM 0 H TYR A 9 -0.527 4.066 7.822 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.629 1.209 7.653 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.215 2.255 8.692 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.188 3.268 9.688 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.861 -0.224 9.392 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.556 2.520 11.535 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.699 -1.825 11.259 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.732 0.961 13.391 1.00 0.00 H new ATOM 0 HH TYR A 9 1.173 -1.022 14.202 1.00 0.00 H new ATOM 155 N LEU A 10 -2.561 2.786 9.811 1.00 0.00 N ATOM 156 CA LEU A 10 -3.793 2.685 10.573 1.00 0.00 C ATOM 157 C LEU A 10 -4.918 2.247 9.654 1.00 0.00 C ATOM 158 O LEU A 10 -5.753 1.424 10.023 1.00 0.00 O ATOM 159 CB LEU A 10 -4.139 4.019 11.239 1.00 0.00 C ATOM 160 CG LEU A 10 -3.445 4.270 12.578 1.00 0.00 C ATOM 161 CD1 LEU A 10 -3.640 5.713 13.020 1.00 0.00 C ATOM 162 CD2 LEU A 10 -3.969 3.311 13.636 1.00 0.00 C ATOM 0 H LEU A 10 -2.060 3.666 9.929 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.658 1.945 11.362 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.880 4.828 10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.217 4.063 11.391 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.377 4.093 12.451 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.139 5.872 13.975 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.216 6.383 12.272 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.705 5.919 13.130 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.465 3.503 14.583 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.042 3.457 13.760 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.776 2.285 13.324 1.00 0.00 H new ATOM 174 N ASN A 11 -4.906 2.768 8.433 1.00 0.00 N ATOM 175 CA ASN A 11 -5.904 2.392 7.448 1.00 0.00 C ATOM 176 C ASN A 11 -5.737 0.916 7.121 1.00 0.00 C ATOM 177 O ASN A 11 -6.711 0.196 6.907 1.00 0.00 O ATOM 178 CB ASN A 11 -5.767 3.231 6.175 1.00 0.00 C ATOM 179 CG ASN A 11 -6.488 4.561 6.276 1.00 0.00 C ATOM 180 OD1 ASN A 11 -7.267 4.788 7.202 1.00 0.00 O ATOM 181 ND2 ASN A 11 -6.230 5.448 5.322 1.00 0.00 N ATOM 0 H ASN A 11 -4.219 3.448 8.106 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.896 2.575 7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.711 3.408 5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.164 2.670 5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.685 6.361 5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.577 5.216 4.573 1.00 0.00 H new ATOM 188 N LEU A 12 -4.480 0.469 7.115 1.00 0.00 N ATOM 189 CA LEU A 12 -4.168 -0.925 6.850 1.00 0.00 C ATOM 190 C LEU A 12 -4.817 -1.800 7.906 1.00 0.00 C ATOM 191 O LEU A 12 -5.522 -2.750 7.589 1.00 0.00 O ATOM 192 CB LEU A 12 -2.651 -1.157 6.822 1.00 0.00 C ATOM 193 CG LEU A 12 -1.999 -1.065 5.440 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.483 -1.097 5.563 1.00 0.00 C ATOM 195 CD2 LEU A 12 -2.483 -2.189 4.536 1.00 0.00 C ATOM 0 H LEU A 12 -3.665 1.057 7.291 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.562 -1.189 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.177 -0.427 7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.443 -2.143 7.238 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.291 -0.116 4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.036 -1.031 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.149 -0.254 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.176 -2.029 6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.006 -2.102 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.226 -3.150 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.564 -2.121 4.418 1.00 0.00 H new ATOM 207 N SER A 13 -4.596 -1.454 9.165 1.00 0.00 N ATOM 208 CA SER A 13 -5.184 -2.198 10.267 1.00 0.00 C ATOM 209 C SER A 13 -6.698 -2.140 10.184 1.00 0.00 C ATOM 210 O SER A 13 -7.384 -3.160 10.269 1.00 0.00 O ATOM 211 CB SER A 13 -4.713 -1.623 11.601 1.00 0.00 C ATOM 212 OG SER A 13 -3.402 -2.061 11.914 1.00 0.00 O ATOM 0 H SER A 13 -4.015 -0.665 9.448 1.00 0.00 H new ATOM 0 HA SER A 13 -4.864 -3.238 10.199 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.735 -0.534 11.559 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.399 -1.925 12.393 1.00 0.00 H new ATOM 0 HG SER A 13 -2.749 -1.441 11.527 1.00 0.00 H new ATOM 218 N GLU A 14 -7.203 -0.933 10.005 1.00 0.00 N ATOM 219 CA GLU A 14 -8.635 -0.708 9.892 1.00 0.00 C ATOM 220 C GLU A 14 -9.217 -1.525 8.756 1.00 0.00 C ATOM 221 O GLU A 14 -10.351 -1.996 8.819 1.00 0.00 O ATOM 222 CB GLU A 14 -8.928 0.768 9.642 1.00 0.00 C ATOM 223 CG GLU A 14 -8.427 1.673 10.745 1.00 0.00 C ATOM 224 CD GLU A 14 -8.340 3.126 10.320 1.00 0.00 C ATOM 225 OE1 GLU A 14 -9.402 3.742 10.089 1.00 0.00 O ATOM 226 OE2 GLU A 14 -7.210 3.648 10.217 1.00 0.00 O ATOM 0 H GLU A 14 -6.639 -0.086 9.934 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.094 -1.016 10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.470 1.068 8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.004 0.904 9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.090 1.590 11.606 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.443 1.334 11.068 1.00 0.00 H new ATOM 233 N ALA A 15 -8.421 -1.670 7.714 1.00 0.00 N ATOM 234 CA ALA A 15 -8.820 -2.412 6.536 1.00 0.00 C ATOM 235 C ALA A 15 -8.721 -3.892 6.744 1.00 0.00 C ATOM 236 O ALA A 15 -9.652 -4.629 6.468 1.00 0.00 O ATOM 237 CB ALA A 15 -7.971 -2.025 5.372 1.00 0.00 C ATOM 0 H ALA A 15 -7.481 -1.277 7.661 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.863 -2.164 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.280 -2.589 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.085 -0.959 5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.927 -2.244 5.595 1.00 0.00 H new ATOM 243 N TYR A 16 -7.568 -4.321 7.216 1.00 0.00 N ATOM 244 CA TYR A 16 -7.324 -5.723 7.459 1.00 0.00 C ATOM 245 C TYR A 16 -8.513 -6.340 8.190 1.00 0.00 C ATOM 246 O TYR A 16 -8.821 -7.518 8.019 1.00 0.00 O ATOM 247 CB TYR A 16 -6.038 -5.873 8.253 1.00 0.00 C ATOM 248 CG TYR A 16 -6.131 -6.925 9.298 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.868 -8.233 8.981 1.00 0.00 C ATOM 250 CD2 TYR A 16 -6.509 -6.605 10.580 1.00 0.00 C ATOM 251 CE1 TYR A 16 -5.971 -9.230 9.911 1.00 0.00 C ATOM 252 CE2 TYR A 16 -6.617 -7.592 11.545 1.00 0.00 C ATOM 253 CZ TYR A 16 -6.345 -8.910 11.205 1.00 0.00 C ATOM 254 OH TYR A 16 -6.453 -9.900 12.154 1.00 0.00 O ATOM 0 H TYR A 16 -6.781 -3.711 7.439 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.209 -6.254 6.514 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.221 -6.113 7.572 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.792 -4.921 8.722 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.572 -8.482 7.972 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.723 -5.578 10.836 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.763 -10.254 9.640 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.910 -7.339 12.553 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.724 -9.505 13.009 1.00 0.00 H new ATOM 264 N LYS A 17 -9.196 -5.515 8.977 1.00 0.00 N ATOM 265 CA LYS A 17 -10.371 -5.958 9.699 1.00 0.00 C ATOM 266 C LYS A 17 -11.599 -5.940 8.778 1.00 0.00 C ATOM 267 O LYS A 17 -12.718 -6.211 9.215 1.00 0.00 O ATOM 268 CB LYS A 17 -10.603 -5.095 10.948 1.00 0.00 C ATOM 269 CG LYS A 17 -11.481 -3.872 10.720 1.00 0.00 C ATOM 270 CD LYS A 17 -10.959 -2.669 11.487 1.00 0.00 C ATOM 271 CE LYS A 17 -11.870 -1.462 11.324 1.00 0.00 C ATOM 272 NZ LYS A 17 -11.932 -0.640 12.565 1.00 0.00 N ATOM 0 H LYS A 17 -8.951 -4.536 9.127 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.208 -6.983 10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.058 -5.714 11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.637 -4.766 11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.517 -3.640 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.502 -4.091 11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.873 -2.920 12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.958 -2.420 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.513 -0.846 10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.873 -1.797 11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.563 0.172 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.297 -1.220 13.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.979 -0.298 12.803 1.00 0.00 H new ATOM 286 N ASP A 18 -11.375 -5.632 7.496 1.00 0.00 N ATOM 287 CA ASP A 18 -12.447 -5.601 6.516 1.00 0.00 C ATOM 288 C ASP A 18 -13.087 -6.984 6.423 1.00 0.00 C ATOM 289 O ASP A 18 -12.416 -7.946 6.063 1.00 0.00 O ATOM 290 CB ASP A 18 -11.915 -5.195 5.141 1.00 0.00 C ATOM 291 CG ASP A 18 -12.033 -3.705 4.896 1.00 0.00 C ATOM 292 OD1 ASP A 18 -11.905 -2.931 5.868 1.00 0.00 O ATOM 293 OD2 ASP A 18 -12.254 -3.311 3.731 1.00 0.00 O ATOM 0 H ASP A 18 -10.455 -5.401 7.120 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.187 -4.866 6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.870 -5.493 5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.464 -5.733 4.368 1.00 0.00 H new ATOM 298 N PRO A 19 -14.377 -7.121 6.763 1.00 0.00 N ATOM 299 CA PRO A 19 -15.072 -8.416 6.729 1.00 0.00 C ATOM 300 C PRO A 19 -14.806 -9.227 5.462 1.00 0.00 C ATOM 301 O PRO A 19 -14.901 -10.456 5.480 1.00 0.00 O ATOM 302 CB PRO A 19 -16.534 -8.011 6.825 1.00 0.00 C ATOM 303 CG PRO A 19 -16.497 -6.790 7.670 1.00 0.00 C ATOM 304 CD PRO A 19 -15.266 -6.042 7.233 1.00 0.00 C ATOM 0 HA PRO A 19 -14.734 -9.078 7.527 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.960 -7.807 5.843 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.140 -8.796 7.279 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.394 -6.187 7.530 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.447 -7.045 8.728 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.487 -5.327 6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.821 -5.480 8.054 1.00 0.00 H new ATOM 312 N GLU A 20 -14.456 -8.555 4.368 1.00 0.00 N ATOM 313 CA GLU A 20 -14.165 -9.253 3.123 1.00 0.00 C ATOM 314 C GLU A 20 -12.668 -9.345 2.895 1.00 0.00 C ATOM 315 O GLU A 20 -12.189 -9.683 1.814 1.00 0.00 O ATOM 316 CB GLU A 20 -14.833 -8.552 1.970 1.00 0.00 C ATOM 317 CG GLU A 20 -16.335 -8.689 2.017 1.00 0.00 C ATOM 318 CD GLU A 20 -16.969 -8.720 0.640 1.00 0.00 C ATOM 319 OE1 GLU A 20 -16.458 -8.027 -0.264 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.974 -9.440 0.465 1.00 0.00 O ATOM 0 H GLU A 20 -14.368 -7.540 4.320 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.559 -10.267 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.565 -7.496 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.461 -8.963 1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.595 -9.603 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.753 -7.858 2.585 1.00 0.00 H new ATOM 327 N VAL A 21 -11.965 -9.108 3.975 1.00 0.00 N ATOM 328 CA VAL A 21 -10.525 -9.213 4.042 1.00 0.00 C ATOM 329 C VAL A 21 -10.231 -10.279 5.085 1.00 0.00 C ATOM 330 O VAL A 21 -9.322 -11.096 4.932 1.00 0.00 O ATOM 331 CB VAL A 21 -9.860 -7.876 4.418 1.00 0.00 C ATOM 332 CG1 VAL A 21 -8.390 -8.074 4.761 1.00 0.00 C ATOM 333 CG2 VAL A 21 -10.017 -6.874 3.280 1.00 0.00 C ATOM 0 H VAL A 21 -12.390 -8.828 4.859 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.116 -9.477 3.067 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.358 -7.481 5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.945 -7.114 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.302 -8.757 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.869 -8.493 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.543 -5.932 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.544 -7.268 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.076 -6.704 3.088 1.00 0.00 H new ATOM 343 N LYS A 22 -11.082 -10.302 6.120 1.00 0.00 N ATOM 344 CA LYS A 22 -11.008 -11.299 7.162 1.00 0.00 C ATOM 345 C LYS A 22 -11.106 -12.660 6.506 1.00 0.00 C ATOM 346 O LYS A 22 -10.395 -13.602 6.856 1.00 0.00 O ATOM 347 CB LYS A 22 -12.186 -11.149 8.136 1.00 0.00 C ATOM 348 CG LYS A 22 -12.520 -9.724 8.517 1.00 0.00 C ATOM 349 CD LYS A 22 -11.327 -8.988 9.098 1.00 0.00 C ATOM 350 CE LYS A 22 -10.610 -9.804 10.167 1.00 0.00 C ATOM 351 NZ LYS A 22 -9.303 -10.331 9.686 1.00 0.00 N ATOM 0 H LYS A 22 -11.835 -9.625 6.246 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.075 -11.182 7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.069 -11.607 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.962 -11.709 9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.880 -9.190 7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.332 -9.726 9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.627 -8.746 8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.660 -8.043 9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.448 -9.183 11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.245 -10.635 10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.371 -11.360 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.059 -9.881 8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.564 -10.120 10.387 1.00 0.00 H new ATOM 365 N ALA A 23 -12.000 -12.730 5.522 1.00 0.00 N ATOM 366 CA ALA A 23 -12.211 -13.950 4.768 1.00 0.00 C ATOM 367 C ALA A 23 -11.003 -14.221 3.896 1.00 0.00 C ATOM 368 O ALA A 23 -10.658 -15.370 3.618 1.00 0.00 O ATOM 369 CB ALA A 23 -13.473 -13.846 3.923 1.00 0.00 C ATOM 0 H ALA A 23 -12.589 -11.949 5.232 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.341 -14.780 5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.614 -14.771 3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.333 -13.679 4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.377 -13.013 3.227 1.00 0.00 H new ATOM 375 N ASN A 24 -10.354 -13.141 3.481 1.00 0.00 N ATOM 376 CA ASN A 24 -9.171 -13.230 2.657 1.00 0.00 C ATOM 377 C ASN A 24 -7.921 -13.096 3.514 1.00 0.00 C ATOM 378 O ASN A 24 -7.267 -12.053 3.521 1.00 0.00 O ATOM 379 CB ASN A 24 -9.192 -12.159 1.566 1.00 0.00 C ATOM 380 CG ASN A 24 -10.320 -12.366 0.574 1.00 0.00 C ATOM 381 OD1 ASN A 24 -11.535 -12.017 0.979 1.00 0.00 O flip ATOM 382 ND2 ASN A 24 -10.101 -12.835 -0.543 1.00 0.00 N flip ATOM 0 H ASN A 24 -10.636 -12.187 3.708 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.158 -14.207 2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.293 -11.177 2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.240 -12.166 1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.151 -13.089 -0.812 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.870 -12.969 -1.200 1.00 0.00 H new ATOM 389 N GLU A 25 -7.599 -14.158 4.246 1.00 0.00 N ATOM 390 CA GLU A 25 -6.431 -14.164 5.119 1.00 0.00 C ATOM 391 C GLU A 25 -5.201 -13.649 4.389 1.00 0.00 C ATOM 392 O GLU A 25 -4.350 -12.988 4.977 1.00 0.00 O ATOM 393 CB GLU A 25 -6.166 -15.571 5.655 1.00 0.00 C ATOM 394 CG GLU A 25 -4.972 -15.650 6.593 1.00 0.00 C ATOM 395 CD GLU A 25 -5.108 -14.726 7.788 1.00 0.00 C ATOM 396 OE1 GLU A 25 -6.138 -14.811 8.490 1.00 0.00 O ATOM 397 OE2 GLU A 25 -4.186 -13.916 8.020 1.00 0.00 O ATOM 0 H GLU A 25 -8.132 -15.027 4.252 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.640 -13.499 5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.054 -15.924 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.003 -16.246 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.856 -16.676 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.065 -15.397 6.044 1.00 0.00 H new ATOM 404 N PHE A 26 -5.120 -13.947 3.106 1.00 0.00 N ATOM 405 CA PHE A 26 -3.996 -13.507 2.298 1.00 0.00 C ATOM 406 C PHE A 26 -4.002 -11.993 2.168 1.00 0.00 C ATOM 407 O PHE A 26 -2.950 -11.356 2.107 1.00 0.00 O ATOM 408 CB PHE A 26 -4.044 -14.159 0.914 1.00 0.00 C ATOM 409 CG PHE A 26 -2.927 -13.728 0.005 1.00 0.00 C ATOM 410 CD1 PHE A 26 -1.615 -13.725 0.450 1.00 0.00 C ATOM 411 CD2 PHE A 26 -3.191 -13.327 -1.294 1.00 0.00 C ATOM 412 CE1 PHE A 26 -0.587 -13.330 -0.384 1.00 0.00 C ATOM 413 CE2 PHE A 26 -2.168 -12.930 -2.133 1.00 0.00 C ATOM 414 CZ PHE A 26 -0.863 -12.932 -1.677 1.00 0.00 C ATOM 0 H PHE A 26 -5.818 -14.492 2.600 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.074 -13.812 2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.008 -15.242 1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.997 -13.920 0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.393 -14.035 1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.209 -13.325 -1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.432 -13.333 -0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.387 -12.619 -3.144 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.061 -12.623 -2.331 1.00 0.00 H new ATOM 424 N LEU A 27 -5.199 -11.424 2.134 1.00 0.00 N ATOM 425 CA LEU A 27 -5.356 -9.986 2.018 1.00 0.00 C ATOM 426 C LEU A 27 -5.134 -9.301 3.356 1.00 0.00 C ATOM 427 O LEU A 27 -4.488 -8.255 3.423 1.00 0.00 O ATOM 428 CB LEU A 27 -6.742 -9.648 1.481 1.00 0.00 C ATOM 429 CG LEU A 27 -6.777 -9.278 0.002 1.00 0.00 C ATOM 430 CD1 LEU A 27 -8.186 -9.409 -0.545 1.00 0.00 C ATOM 431 CD2 LEU A 27 -6.238 -7.869 -0.198 1.00 0.00 C ATOM 0 H LEU A 27 -6.077 -11.941 2.185 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.604 -9.620 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.399 -10.503 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.149 -8.819 2.059 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.139 -9.968 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.192 -9.141 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.527 -10.438 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.852 -8.742 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.268 -7.615 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.851 -7.162 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.209 -7.819 0.158 1.00 0.00 H new ATOM 443 N SER A 28 -5.662 -9.887 4.426 1.00 0.00 N ATOM 444 CA SER A 28 -5.503 -9.321 5.735 1.00 0.00 C ATOM 445 C SER A 28 -4.085 -9.549 6.231 1.00 0.00 C ATOM 446 O SER A 28 -3.427 -8.624 6.697 1.00 0.00 O ATOM 447 CB SER A 28 -6.548 -9.919 6.675 1.00 0.00 C ATOM 448 OG SER A 28 -5.952 -10.756 7.650 1.00 0.00 O ATOM 0 H SER A 28 -6.201 -10.753 4.399 1.00 0.00 H new ATOM 0 HA SER A 28 -5.662 -8.243 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.096 -9.117 7.169 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.273 -10.492 6.097 1.00 0.00 H new ATOM 0 HG SER A 28 -5.499 -10.205 8.321 1.00 0.00 H new ATOM 454 N LYS A 29 -3.614 -10.779 6.094 1.00 0.00 N ATOM 455 CA LYS A 29 -2.258 -11.130 6.508 1.00 0.00 C ATOM 456 C LYS A 29 -1.237 -10.196 5.869 1.00 0.00 C ATOM 457 O LYS A 29 -0.289 -9.762 6.526 1.00 0.00 O ATOM 458 CB LYS A 29 -1.941 -12.593 6.173 1.00 0.00 C ATOM 459 CG LYS A 29 -1.421 -12.826 4.762 1.00 0.00 C ATOM 460 CD LYS A 29 -1.331 -14.312 4.436 1.00 0.00 C ATOM 461 CE LYS A 29 -0.605 -15.086 5.527 1.00 0.00 C ATOM 462 NZ LYS A 29 0.834 -14.715 5.610 1.00 0.00 N ATOM 0 H LYS A 29 -4.148 -11.553 5.700 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.197 -11.012 7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.201 -12.962 6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.843 -13.188 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.079 -12.335 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.437 -12.369 4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.335 -14.718 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.810 -14.445 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.085 -14.895 6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.693 -16.155 5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.291 -15.265 6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.298 -14.920 4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.919 -13.700 5.821 1.00 0.00 H new ATOM 476 N LEU A 30 -1.435 -9.874 4.594 1.00 0.00 N ATOM 477 CA LEU A 30 -0.521 -8.977 3.907 1.00 0.00 C ATOM 478 C LEU A 30 -0.638 -7.580 4.487 1.00 0.00 C ATOM 479 O LEU A 30 0.363 -6.897 4.698 1.00 0.00 O ATOM 480 CB LEU A 30 -0.792 -8.961 2.399 1.00 0.00 C ATOM 481 CG LEU A 30 0.066 -9.918 1.558 1.00 0.00 C ATOM 482 CD1 LEU A 30 0.322 -9.323 0.184 1.00 0.00 C ATOM 483 CD2 LEU A 30 1.387 -10.233 2.254 1.00 0.00 C ATOM 0 H LEU A 30 -2.209 -10.217 4.025 1.00 0.00 H new ATOM 0 HA LEU A 30 0.496 -9.339 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.842 -9.204 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.638 -7.946 2.032 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.484 -10.852 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.931 -10.011 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.628 -9.157 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.847 -8.374 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.972 -10.913 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.946 -9.310 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.188 -10.702 3.218 1.00 0.00 H new ATOM 495 N VAL A 31 -1.865 -7.177 4.783 1.00 0.00 N ATOM 496 CA VAL A 31 -2.105 -5.879 5.386 1.00 0.00 C ATOM 497 C VAL A 31 -1.505 -5.872 6.783 1.00 0.00 C ATOM 498 O VAL A 31 -0.995 -4.857 7.255 1.00 0.00 O ATOM 499 CB VAL A 31 -3.609 -5.572 5.475 1.00 0.00 C ATOM 500 CG1 VAL A 31 -3.847 -4.278 6.236 1.00 0.00 C ATOM 501 CG2 VAL A 31 -4.223 -5.507 4.085 1.00 0.00 C ATOM 0 H VAL A 31 -2.706 -7.730 4.615 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.641 -5.114 4.764 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.095 -6.379 6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.917 -4.078 6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.445 -4.370 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.349 -3.456 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.288 -5.289 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.735 -4.721 3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.087 -6.464 3.582 1.00 0.00 H new ATOM 511 N VAL A 32 -1.558 -7.036 7.423 1.00 0.00 N ATOM 512 CA VAL A 32 -1.015 -7.217 8.756 1.00 0.00 C ATOM 513 C VAL A 32 0.500 -7.106 8.723 1.00 0.00 C ATOM 514 O VAL A 32 1.084 -6.179 9.282 1.00 0.00 O ATOM 515 CB VAL A 32 -1.417 -8.589 9.323 1.00 0.00 C ATOM 516 CG1 VAL A 32 -0.937 -8.741 10.756 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.926 -8.789 9.224 1.00 0.00 C ATOM 0 H VAL A 32 -1.979 -7.877 7.029 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.421 -6.436 9.399 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.935 -9.363 8.726 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.232 -9.719 11.137 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.149 -8.652 10.787 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.383 -7.961 11.374 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.191 -9.765 9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.434 -8.010 9.792 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.232 -8.735 8.179 1.00 0.00 H new ATOM 527 N GLN A 33 1.126 -8.054 8.044 1.00 0.00 N ATOM 528 CA GLN A 33 2.580 -8.066 7.906 1.00 0.00 C ATOM 529 C GLN A 33 3.057 -6.694 7.437 1.00 0.00 C ATOM 530 O GLN A 33 3.980 -6.112 8.000 1.00 0.00 O ATOM 531 CB GLN A 33 3.018 -9.194 6.950 1.00 0.00 C ATOM 532 CG GLN A 33 3.531 -8.740 5.588 1.00 0.00 C ATOM 533 CD GLN A 33 5.019 -8.445 5.590 1.00 0.00 C ATOM 534 OE1 GLN A 33 5.784 -9.063 6.331 1.00 0.00 O ATOM 535 NE2 GLN A 33 5.435 -7.498 4.756 1.00 0.00 N ATOM 0 H GLN A 33 0.652 -8.828 7.578 1.00 0.00 H new ATOM 0 HA GLN A 33 3.043 -8.270 8.872 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.800 -9.776 7.437 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.172 -9.864 6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.319 -9.513 4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.988 -7.846 5.280 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.764 -7.012 4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.425 -7.257 4.711 1.00 0.00 H new ATOM 544 N CYS A 34 2.379 -6.179 6.425 1.00 0.00 N ATOM 545 CA CYS A 34 2.674 -4.862 5.882 1.00 0.00 C ATOM 546 C CYS A 34 2.460 -3.811 6.967 1.00 0.00 C ATOM 547 O CYS A 34 3.243 -2.870 7.107 1.00 0.00 O ATOM 548 CB CYS A 34 1.767 -4.562 4.687 1.00 0.00 C ATOM 549 SG CYS A 34 2.018 -2.922 3.969 1.00 0.00 S ATOM 0 H CYS A 34 1.611 -6.660 5.957 1.00 0.00 H new ATOM 0 HA CYS A 34 3.711 -4.839 5.546 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.937 -5.315 3.917 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.727 -4.655 5.000 1.00 0.00 H new ATOM 0 HG CYS A 34 2.762 -3.022 2.907 1.00 0.00 H new ATOM 555 N ALA A 35 1.392 -3.992 7.746 1.00 0.00 N ATOM 556 CA ALA A 35 1.071 -3.072 8.832 1.00 0.00 C ATOM 557 C ALA A 35 2.261 -2.911 9.759 1.00 0.00 C ATOM 558 O ALA A 35 2.596 -1.805 10.181 1.00 0.00 O ATOM 559 CB ALA A 35 -0.147 -3.557 9.605 1.00 0.00 C ATOM 0 H ALA A 35 0.737 -4.767 7.643 1.00 0.00 H new ATOM 0 HA ALA A 35 0.836 -2.099 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.369 -2.857 10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.003 -3.621 8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.058 -4.541 10.026 1.00 0.00 H new ATOM 565 N GLY A 36 2.906 -4.026 10.049 1.00 0.00 N ATOM 566 CA GLY A 36 4.074 -4.007 10.904 1.00 0.00 C ATOM 567 C GLY A 36 5.240 -3.326 10.223 1.00 0.00 C ATOM 568 O GLY A 36 6.132 -2.791 10.881 1.00 0.00 O ATOM 0 H GLY A 36 2.642 -4.950 9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.839 -3.488 11.833 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.350 -5.027 11.169 1.00 0.00 H new ATOM 572 N LYS A 37 5.224 -3.345 8.894 1.00 0.00 N ATOM 573 CA LYS A 37 6.275 -2.726 8.107 1.00 0.00 C ATOM 574 C LYS A 37 6.182 -1.206 8.190 1.00 0.00 C ATOM 575 O LYS A 37 7.161 -0.497 7.961 1.00 0.00 O ATOM 576 CB LYS A 37 6.177 -3.185 6.654 1.00 0.00 C ATOM 577 CG LYS A 37 6.359 -4.685 6.481 1.00 0.00 C ATOM 578 CD LYS A 37 6.779 -5.367 7.777 1.00 0.00 C ATOM 579 CE LYS A 37 7.355 -6.722 7.505 1.00 0.00 C ATOM 580 NZ LYS A 37 7.211 -7.641 8.668 1.00 0.00 N ATOM 0 H LYS A 37 4.489 -3.786 8.341 1.00 0.00 H new ATOM 0 HA LYS A 37 7.240 -3.032 8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.205 -2.896 6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.932 -2.664 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.426 -5.124 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.110 -4.872 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.515 -4.752 8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.918 -5.459 8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.860 -7.157 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.411 -6.622 7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.153 -7.938 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.716 -7.150 9.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.664 -8.478 8.383 1.00 0.00 H new ATOM 594 N LEU A 38 4.988 -0.715 8.523 1.00 0.00 N ATOM 595 CA LEU A 38 4.746 0.719 8.643 1.00 0.00 C ATOM 596 C LEU A 38 5.268 1.251 9.968 1.00 0.00 C ATOM 597 O LEU A 38 5.829 2.343 10.024 1.00 0.00 O ATOM 598 CB LEU A 38 3.251 1.011 8.529 1.00 0.00 C ATOM 599 CG LEU A 38 2.702 1.102 7.103 1.00 0.00 C ATOM 600 CD1 LEU A 38 3.292 2.300 6.377 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.979 -0.182 6.337 1.00 0.00 C ATOM 0 H LEU A 38 4.171 -1.295 8.715 1.00 0.00 H new ATOM 0 HA LEU A 38 5.278 1.219 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.705 0.231 9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.043 1.951 9.040 1.00 0.00 H new ATOM 0 HG LEU A 38 1.622 1.237 7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.889 2.347 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.034 3.213 6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.376 2.200 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.580 -0.096 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.055 -0.353 6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.501 -1.019 6.845 1.00 0.00 H new ATOM 613 N THR A 39 5.089 0.473 11.032 1.00 0.00 N ATOM 614 CA THR A 39 5.544 0.866 12.351 1.00 0.00 C ATOM 615 C THR A 39 6.936 1.425 12.288 1.00 0.00 C ATOM 616 O THR A 39 7.230 2.487 12.836 1.00 0.00 O ATOM 617 CB THR A 39 5.533 -0.331 13.270 1.00 0.00 C ATOM 618 OG1 THR A 39 6.455 -1.313 12.834 1.00 0.00 O ATOM 619 CG2 THR A 39 4.186 -0.976 13.367 1.00 0.00 C ATOM 0 H THR A 39 4.629 -0.437 11.000 1.00 0.00 H new ATOM 0 HA THR A 39 4.871 1.634 12.732 1.00 0.00 H new ATOM 0 HB THR A 39 5.811 0.051 14.252 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.008 -1.930 12.218 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.240 -1.831 14.041 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.464 -0.255 13.751 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.872 -1.313 12.379 1.00 0.00 H new ATOM 627 N ALA A 40 7.789 0.694 11.610 1.00 0.00 N ATOM 628 CA ALA A 40 9.162 1.105 11.461 1.00 0.00 C ATOM 629 C ALA A 40 9.307 2.144 10.356 1.00 0.00 C ATOM 630 O ALA A 40 10.310 2.162 9.643 1.00 0.00 O ATOM 631 CB ALA A 40 10.076 -0.077 11.173 1.00 0.00 C ATOM 0 H ALA A 40 7.555 -0.188 11.154 1.00 0.00 H new ATOM 0 HA ALA A 40 9.463 1.550 12.410 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.102 0.274 11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.019 -0.790 11.996 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.762 -0.563 10.249 1.00 0.00 H new ATOM 637 N SER A 41 8.307 3.012 10.203 1.00 0.00 N ATOM 638 CA SER A 41 8.358 4.035 9.171 1.00 0.00 C ATOM 639 C SER A 41 9.659 4.818 9.257 1.00 0.00 C ATOM 640 O SER A 41 10.111 5.389 8.264 1.00 0.00 O ATOM 641 CB SER A 41 7.150 4.962 9.252 1.00 0.00 C ATOM 642 OG SER A 41 7.194 5.947 8.234 1.00 0.00 O ATOM 0 H SER A 41 7.463 3.024 10.776 1.00 0.00 H new ATOM 0 HA SER A 41 8.325 3.539 8.201 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.234 4.379 9.159 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.123 5.445 10.229 1.00 0.00 H new ATOM 0 HG SER A 41 6.287 6.273 8.055 1.00 0.00 H new ATOM 648 N ASN A 42 10.296 4.796 10.435 1.00 0.00 N ATOM 649 CA ASN A 42 11.584 5.458 10.606 1.00 0.00 C ATOM 650 C ASN A 42 12.488 5.039 9.453 1.00 0.00 C ATOM 651 O ASN A 42 13.324 5.807 8.976 1.00 0.00 O ATOM 652 CB ASN A 42 12.209 5.065 11.944 1.00 0.00 C ATOM 653 CG ASN A 42 12.054 6.148 12.995 1.00 0.00 C ATOM 654 OD1 ASN A 42 11.542 5.900 14.087 1.00 0.00 O ATOM 655 ND2 ASN A 42 12.497 7.356 12.669 1.00 0.00 N ATOM 0 H ASN A 42 9.941 4.332 11.271 1.00 0.00 H new ATOM 0 HA ASN A 42 11.453 6.540 10.604 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.746 4.146 12.302 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.268 4.852 11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.420 8.124 13.335 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.915 7.516 11.752 1.00 0.00 H new ATOM 662 N SER A 43 12.242 3.820 8.974 1.00 0.00 N ATOM 663 CA SER A 43 12.931 3.272 7.844 1.00 0.00 C ATOM 664 C SER A 43 12.066 3.556 6.630 1.00 0.00 C ATOM 665 O SER A 43 11.599 2.642 5.951 1.00 0.00 O ATOM 666 CB SER A 43 13.147 1.766 8.015 1.00 0.00 C ATOM 667 OG SER A 43 13.734 1.473 9.272 1.00 0.00 O ATOM 0 H SER A 43 11.547 3.191 9.376 1.00 0.00 H new ATOM 0 HA SER A 43 13.918 3.721 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.193 1.246 7.926 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.788 1.395 7.216 1.00 0.00 H new ATOM 0 HG SER A 43 13.860 0.505 9.357 1.00 0.00 H new ATOM 673 N GLU A 44 11.821 4.843 6.397 1.00 0.00 N ATOM 674 CA GLU A 44 10.969 5.277 5.302 1.00 0.00 C ATOM 675 C GLU A 44 11.482 4.734 3.990 1.00 0.00 C ATOM 676 O GLU A 44 10.718 4.503 3.058 1.00 0.00 O ATOM 677 CB GLU A 44 10.924 6.800 5.249 1.00 0.00 C ATOM 678 CG GLU A 44 12.216 7.434 4.754 1.00 0.00 C ATOM 679 CD GLU A 44 12.369 8.874 5.204 1.00 0.00 C ATOM 680 OE1 GLU A 44 11.353 9.485 5.600 1.00 0.00 O ATOM 681 OE2 GLU A 44 13.505 9.391 5.162 1.00 0.00 O ATOM 0 H GLU A 44 12.204 5.604 6.957 1.00 0.00 H new ATOM 0 HA GLU A 44 9.962 4.894 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.106 7.108 4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.700 7.183 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.064 6.852 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.243 7.393 3.665 1.00 0.00 H new ATOM 688 N ASN A 45 12.773 4.494 3.941 1.00 0.00 N ATOM 689 CA ASN A 45 13.378 3.929 2.751 1.00 0.00 C ATOM 690 C ASN A 45 12.960 2.473 2.639 1.00 0.00 C ATOM 691 O ASN A 45 12.765 1.933 1.549 1.00 0.00 O ATOM 692 CB ASN A 45 14.903 4.045 2.806 1.00 0.00 C ATOM 693 CG ASN A 45 15.573 3.471 1.573 1.00 0.00 C ATOM 694 OD1 ASN A 45 15.201 3.793 0.444 1.00 0.00 O ATOM 695 ND2 ASN A 45 16.566 2.614 1.783 1.00 0.00 N ATOM 0 H ASN A 45 13.423 4.679 4.705 1.00 0.00 H new ATOM 0 HA ASN A 45 13.038 4.481 1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.181 5.094 2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.272 3.527 3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.053 2.194 0.991 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.841 2.376 2.736 1.00 0.00 H new ATOM 702 N SER A 46 12.795 1.865 3.800 1.00 0.00 N ATOM 703 CA SER A 46 12.374 0.485 3.906 1.00 0.00 C ATOM 704 C SER A 46 10.870 0.383 3.731 1.00 0.00 C ATOM 705 O SER A 46 10.351 -0.600 3.201 1.00 0.00 O ATOM 706 CB SER A 46 12.791 -0.074 5.261 1.00 0.00 C ATOM 707 OG SER A 46 12.490 -1.454 5.364 1.00 0.00 O ATOM 0 H SER A 46 12.951 2.320 4.699 1.00 0.00 H new ATOM 0 HA SER A 46 12.853 -0.099 3.120 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.860 0.079 5.406 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.281 0.472 6.054 1.00 0.00 H new ATOM 0 HG SER A 46 12.770 -1.785 6.243 1.00 0.00 H new ATOM 713 N TYR A 47 10.185 1.436 4.151 1.00 0.00 N ATOM 714 CA TYR A 47 8.761 1.528 4.025 1.00 0.00 C ATOM 715 C TYR A 47 8.459 1.985 2.613 1.00 0.00 C ATOM 716 O TYR A 47 7.391 1.727 2.084 1.00 0.00 O ATOM 717 CB TYR A 47 8.202 2.478 5.090 1.00 0.00 C ATOM 718 CG TYR A 47 7.137 3.428 4.605 1.00 0.00 C ATOM 719 CD1 TYR A 47 7.484 4.642 4.037 1.00 0.00 C ATOM 720 CD2 TYR A 47 5.791 3.118 4.731 1.00 0.00 C ATOM 721 CE1 TYR A 47 6.514 5.529 3.604 1.00 0.00 C ATOM 722 CE2 TYR A 47 4.816 3.994 4.303 1.00 0.00 C ATOM 723 CZ TYR A 47 5.180 5.197 3.743 1.00 0.00 C ATOM 724 OH TYR A 47 4.207 6.067 3.319 1.00 0.00 O ATOM 0 H TYR A 47 10.616 2.250 4.590 1.00 0.00 H new ATOM 0 HA TYR A 47 8.278 0.565 4.193 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.792 1.883 5.906 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.026 3.060 5.503 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.527 4.901 3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.502 2.175 5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.797 6.472 3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.772 3.737 4.407 1.00 0.00 H new ATOM 0 HH TYR A 47 3.987 5.880 2.382 1.00 0.00 H new ATOM 734 N ILE A 48 9.462 2.643 2.017 1.00 0.00 N ATOM 735 CA ILE A 48 9.405 3.136 0.650 1.00 0.00 C ATOM 736 C ILE A 48 9.376 1.955 -0.295 1.00 0.00 C ATOM 737 O ILE A 48 8.712 1.977 -1.330 1.00 0.00 O ATOM 738 CB ILE A 48 10.650 4.026 0.362 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.367 5.519 0.599 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.232 3.818 -1.044 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.024 5.854 1.227 1.00 0.00 C ATOM 0 H ILE A 48 10.345 2.847 2.485 1.00 0.00 H new ATOM 0 HA ILE A 48 8.507 3.737 0.507 1.00 0.00 H new ATOM 0 HB ILE A 48 11.402 3.698 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.154 5.920 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.437 6.037 -0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.097 4.468 -1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.537 2.778 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.476 4.060 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.937 6.934 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.221 5.494 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.949 5.375 2.203 1.00 0.00 H new ATOM 753 N GLU A 49 10.087 0.914 0.093 1.00 0.00 N ATOM 754 CA GLU A 49 10.134 -0.293 -0.690 1.00 0.00 C ATOM 755 C GLU A 49 8.794 -0.963 -0.599 1.00 0.00 C ATOM 756 O GLU A 49 8.104 -1.115 -1.605 1.00 0.00 O ATOM 757 CB GLU A 49 11.260 -1.201 -0.207 1.00 0.00 C ATOM 758 CG GLU A 49 12.499 -0.426 0.212 1.00 0.00 C ATOM 759 CD GLU A 49 13.778 -1.013 -0.353 1.00 0.00 C ATOM 760 OE1 GLU A 49 13.941 -2.250 -0.293 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.616 -0.235 -0.855 1.00 0.00 O ATOM 0 H GLU A 49 10.640 0.886 0.950 1.00 0.00 H new ATOM 0 HA GLU A 49 10.346 -0.063 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.906 -1.795 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.524 -1.899 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.403 0.609 -0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.561 -0.410 1.300 1.00 0.00 H new ATOM 768 N VAL A 50 8.384 -1.295 0.621 1.00 0.00 N ATOM 769 CA VAL A 50 7.075 -1.876 0.807 1.00 0.00 C ATOM 770 C VAL A 50 6.038 -0.876 0.302 1.00 0.00 C ATOM 771 O VAL A 50 4.918 -1.245 -0.051 1.00 0.00 O ATOM 772 CB VAL A 50 6.789 -2.260 2.280 1.00 0.00 C ATOM 773 CG1 VAL A 50 6.706 -1.021 3.155 1.00 0.00 C ATOM 774 CG2 VAL A 50 5.507 -3.081 2.389 1.00 0.00 C ATOM 0 H VAL A 50 8.931 -1.172 1.473 1.00 0.00 H new ATOM 0 HA VAL A 50 7.026 -2.807 0.242 1.00 0.00 H new ATOM 0 HB VAL A 50 7.617 -2.873 2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.504 -1.316 4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.651 -0.480 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.902 -0.377 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.328 -3.339 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.668 -2.498 2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.609 -3.994 1.802 1.00 0.00 H new ATOM 784 N ILE A 51 6.452 0.399 0.235 1.00 0.00 N ATOM 785 CA ILE A 51 5.601 1.454 -0.265 1.00 0.00 C ATOM 786 C ILE A 51 5.499 1.325 -1.779 1.00 0.00 C ATOM 787 O ILE A 51 4.442 1.557 -2.368 1.00 0.00 O ATOM 788 CB ILE A 51 6.129 2.854 0.174 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.103 3.519 1.091 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.469 3.769 -1.004 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.677 3.445 0.578 1.00 0.00 C ATOM 0 H ILE A 51 7.379 0.711 0.526 1.00 0.00 H new ATOM 0 HA ILE A 51 4.602 1.358 0.160 1.00 0.00 H new ATOM 0 HB ILE A 51 7.064 2.693 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.150 3.048 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.376 4.566 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.830 4.726 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.242 3.303 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.577 3.930 -1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.010 3.939 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.612 3.942 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.383 2.401 0.470 1.00 0.00 H new ATOM 803 N SER A 52 6.606 0.914 -2.401 1.00 0.00 N ATOM 804 CA SER A 52 6.633 0.712 -3.834 1.00 0.00 C ATOM 805 C SER A 52 5.834 -0.532 -4.190 1.00 0.00 C ATOM 806 O SER A 52 5.274 -0.642 -5.282 1.00 0.00 O ATOM 807 CB SER A 52 8.068 0.569 -4.334 1.00 0.00 C ATOM 808 OG SER A 52 8.133 -0.234 -5.500 1.00 0.00 O ATOM 0 H SER A 52 7.488 0.718 -1.928 1.00 0.00 H new ATOM 0 HA SER A 52 6.187 1.582 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.481 1.555 -4.546 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.685 0.127 -3.552 1.00 0.00 H new ATOM 0 HG SER A 52 8.913 -0.825 -5.447 1.00 0.00 H new ATOM 814 N LEU A 53 5.800 -1.474 -3.251 1.00 0.00 N ATOM 815 CA LEU A 53 5.089 -2.722 -3.440 1.00 0.00 C ATOM 816 C LEU A 53 3.632 -2.604 -3.010 1.00 0.00 C ATOM 817 O LEU A 53 2.811 -3.442 -3.362 1.00 0.00 O ATOM 818 CB LEU A 53 5.768 -3.854 -2.669 1.00 0.00 C ATOM 819 CG LEU A 53 7.243 -3.621 -2.365 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.830 -4.798 -1.601 1.00 0.00 C ATOM 821 CD2 LEU A 53 8.021 -3.368 -3.648 1.00 0.00 C ATOM 0 H LEU A 53 6.263 -1.389 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 53 5.114 -2.952 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.237 -4.005 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.670 -4.776 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 53 7.325 -2.735 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.884 -4.609 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.294 -4.925 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.734 -5.704 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.072 -3.204 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.929 -4.232 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.620 -2.486 -4.149 1.00 0.00 H new ATOM 833 N LEU A 54 3.319 -1.573 -2.227 1.00 0.00 N ATOM 834 CA LEU A 54 1.965 -1.374 -1.739 1.00 0.00 C ATOM 835 C LEU A 54 1.041 -0.799 -2.807 1.00 0.00 C ATOM 836 O LEU A 54 -0.013 -1.368 -3.096 1.00 0.00 O ATOM 837 CB LEU A 54 1.972 -0.471 -0.505 1.00 0.00 C ATOM 838 CG LEU A 54 1.918 -1.214 0.831 1.00 0.00 C ATOM 839 CD1 LEU A 54 1.502 -0.271 1.947 1.00 0.00 C ATOM 840 CD2 LEU A 54 0.966 -2.402 0.745 1.00 0.00 C ATOM 0 H LEU A 54 3.987 -0.866 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 54 1.575 -2.355 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.871 0.144 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.120 0.207 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 54 2.915 -1.592 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.469 -0.816 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.223 0.543 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.515 0.138 1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.941 -2.918 1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.035 -2.049 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.311 -3.089 -0.028 1.00 0.00 H new ATOM 852 N SER A 55 1.426 0.335 -3.379 1.00 0.00 N ATOM 853 CA SER A 55 0.615 0.989 -4.401 1.00 0.00 C ATOM 854 C SER A 55 0.190 0.015 -5.497 1.00 0.00 C ATOM 855 O SER A 55 -0.824 0.221 -6.164 1.00 0.00 O ATOM 856 CB SER A 55 1.384 2.161 -5.009 1.00 0.00 C ATOM 857 OG SER A 55 2.011 1.795 -6.225 1.00 0.00 O ATOM 0 H SER A 55 2.294 0.821 -3.154 1.00 0.00 H new ATOM 0 HA SER A 55 -0.290 1.359 -3.919 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.702 2.993 -5.186 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.136 2.511 -4.301 1.00 0.00 H new ATOM 0 HG SER A 55 2.493 2.566 -6.590 1.00 0.00 H new ATOM 863 N ARG A 56 0.968 -1.046 -5.682 1.00 0.00 N ATOM 864 CA ARG A 56 0.662 -2.045 -6.701 1.00 0.00 C ATOM 865 C ARG A 56 0.372 -3.406 -6.081 1.00 0.00 C ATOM 866 O ARG A 56 -0.272 -4.247 -6.695 1.00 0.00 O ATOM 867 CB ARG A 56 1.812 -2.182 -7.704 1.00 0.00 C ATOM 868 CG ARG A 56 3.202 -1.973 -7.116 1.00 0.00 C ATOM 869 CD ARG A 56 3.827 -3.290 -6.684 1.00 0.00 C ATOM 870 NE ARG A 56 3.793 -4.289 -7.750 1.00 0.00 N ATOM 871 CZ ARG A 56 4.112 -5.571 -7.576 1.00 0.00 C ATOM 872 NH1 ARG A 56 4.491 -6.011 -6.383 1.00 0.00 N ATOM 873 NH2 ARG A 56 4.052 -6.414 -8.598 1.00 0.00 N ATOM 0 H ARG A 56 1.812 -1.237 -5.142 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.230 -1.699 -7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.768 -3.175 -8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.661 -1.462 -8.508 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.842 -1.490 -7.854 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.139 -1.301 -6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.860 -3.119 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.298 -3.673 -5.811 1.00 0.00 H new ATOM 0 HE ARG A 56 3.508 -3.987 -8.682 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.539 -5.367 -5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.734 -6.993 -6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.762 -6.081 -9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.296 -7.395 -8.465 1.00 0.00 H new ATOM 887 N GLY A 57 0.869 -3.617 -4.873 1.00 0.00 N ATOM 888 CA GLY A 57 0.675 -4.885 -4.184 1.00 0.00 C ATOM 889 C GLY A 57 -0.782 -5.226 -3.925 1.00 0.00 C ATOM 890 O GLY A 57 -1.273 -6.274 -4.364 1.00 0.00 O ATOM 0 H GLY A 57 1.409 -2.929 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.125 -5.682 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.206 -4.856 -3.233 1.00 0.00 H new ATOM 894 N ILE A 58 -1.471 -4.352 -3.197 1.00 0.00 N ATOM 895 CA ILE A 58 -2.875 -4.580 -2.858 1.00 0.00 C ATOM 896 C ILE A 58 -3.727 -4.780 -4.115 1.00 0.00 C ATOM 897 O ILE A 58 -4.829 -5.323 -4.045 1.00 0.00 O ATOM 898 CB ILE A 58 -3.463 -3.453 -1.946 1.00 0.00 C ATOM 899 CG1 ILE A 58 -4.720 -2.818 -2.548 1.00 0.00 C ATOM 900 CG2 ILE A 58 -2.428 -2.373 -1.643 1.00 0.00 C ATOM 901 CD1 ILE A 58 -5.416 -1.873 -1.595 1.00 0.00 C ATOM 0 H ILE A 58 -1.083 -3.482 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.910 -5.502 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.744 -3.937 -1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.449 -2.277 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.414 -3.606 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.875 -1.609 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.576 -2.819 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.093 -1.919 -2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.299 -1.454 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.715 -2.416 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.736 -1.067 -1.321 1.00 0.00 H new ATOM 1109 N PRO A 70 -12.760 -5.076 -1.086 1.00 0.00 N ATOM 1110 CA PRO A 70 -13.581 -4.339 -0.123 1.00 0.00 C ATOM 1111 C PRO A 70 -12.994 -2.973 0.218 1.00 0.00 C ATOM 1112 O PRO A 70 -11.956 -2.892 0.871 1.00 0.00 O ATOM 1113 CB PRO A 70 -13.585 -5.243 1.108 1.00 0.00 C ATOM 1114 CG PRO A 70 -12.324 -6.028 1.011 1.00 0.00 C ATOM 1115 CD PRO A 70 -12.058 -6.215 -0.460 1.00 0.00 C ATOM 0 HA PRO A 70 -14.576 -4.128 -0.515 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -13.617 -4.658 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.457 -5.896 1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.500 -5.501 1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.424 -6.990 1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.991 -6.198 -0.680 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -12.443 -7.170 -0.819 1.00 0.00 H new ATOM 1123 N SER A 71 -13.678 -1.914 -0.234 1.00 0.00 N ATOM 1124 CA SER A 71 -13.273 -0.514 -0.002 1.00 0.00 C ATOM 1125 C SER A 71 -11.860 -0.378 0.570 1.00 0.00 C ATOM 1126 O SER A 71 -10.941 0.067 -0.122 1.00 0.00 O ATOM 1127 CB SER A 71 -14.274 0.173 0.929 1.00 0.00 C ATOM 1128 OG SER A 71 -15.499 -0.537 0.976 1.00 0.00 O ATOM 0 H SER A 71 -14.537 -2.002 -0.777 1.00 0.00 H new ATOM 0 HA SER A 71 -13.267 -0.028 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.853 0.244 1.932 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.454 1.192 0.586 1.00 0.00 H new ATOM 0 HG SER A 71 -16.120 -0.078 1.579 1.00 0.00 H new ATOM 1134 N SER A 72 -11.691 -0.758 1.836 1.00 0.00 N ATOM 1135 CA SER A 72 -10.390 -0.674 2.499 1.00 0.00 C ATOM 1136 C SER A 72 -9.339 -1.580 1.842 1.00 0.00 C ATOM 1137 O SER A 72 -8.308 -1.881 2.440 1.00 0.00 O ATOM 1138 CB SER A 72 -10.534 -1.027 3.980 1.00 0.00 C ATOM 1139 OG SER A 72 -11.806 -0.644 4.473 1.00 0.00 O ATOM 0 H SER A 72 -12.439 -1.127 2.423 1.00 0.00 H new ATOM 0 HA SER A 72 -10.040 0.353 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.395 -2.099 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.753 -0.529 4.554 1.00 0.00 H new ATOM 0 HG SER A 72 -12.049 -1.216 5.231 1.00 0.00 H new ATOM 1145 N MET A 73 -9.585 -1.985 0.602 1.00 0.00 N ATOM 1146 CA MET A 73 -8.649 -2.815 -0.139 1.00 0.00 C ATOM 1147 C MET A 73 -8.395 -2.174 -1.494 1.00 0.00 C ATOM 1148 O MET A 73 -8.235 -2.850 -2.510 1.00 0.00 O ATOM 1149 CB MET A 73 -9.200 -4.235 -0.307 1.00 0.00 C ATOM 1150 CG MET A 73 -8.187 -5.323 0.007 1.00 0.00 C ATOM 1151 SD MET A 73 -7.511 -5.184 1.673 1.00 0.00 S ATOM 1152 CE MET A 73 -6.002 -4.278 1.347 1.00 0.00 C ATOM 0 H MET A 73 -10.433 -1.748 0.087 1.00 0.00 H new ATOM 0 HA MET A 73 -7.711 -2.889 0.412 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.066 -4.359 0.343 1.00 0.00 H new ATOM 0 HB3 MET A 73 -9.550 -4.361 -1.332 1.00 0.00 H new ATOM 0 HG2 MET A 73 -8.660 -6.298 -0.109 1.00 0.00 H new ATOM 0 HG3 MET A 73 -7.373 -5.276 -0.716 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.146 -4.863 1.685 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.914 -4.091 0.277 1.00 0.00 H new ATOM 0 HE3 MET A 73 -6.026 -3.328 1.881 1.00 0.00 H new ATOM 1162 N LEU A 74 -8.382 -0.847 -1.480 1.00 0.00 N ATOM 1163 CA LEU A 74 -8.171 -0.050 -2.678 1.00 0.00 C ATOM 1164 C LEU A 74 -7.768 1.372 -2.293 1.00 0.00 C ATOM 1165 O LEU A 74 -6.990 2.015 -2.991 1.00 0.00 O ATOM 1166 CB LEU A 74 -9.453 -0.036 -3.519 1.00 0.00 C ATOM 1167 CG LEU A 74 -9.539 1.063 -4.586 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -9.545 0.458 -5.981 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -10.778 1.921 -4.367 1.00 0.00 C ATOM 0 H LEU A 74 -8.518 -0.293 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.367 -0.489 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.553 -1.003 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.305 0.069 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.659 1.700 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.606 1.254 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.628 -0.111 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.405 -0.204 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.824 2.696 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.669 1.296 -4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.729 2.386 -3.382 1.00 0.00 H new ATOM 1181 N THR A 75 -8.303 1.851 -1.171 1.00 0.00 N ATOM 1182 CA THR A 75 -8.002 3.188 -0.688 1.00 0.00 C ATOM 1183 C THR A 75 -6.593 3.251 -0.124 1.00 0.00 C ATOM 1184 O THR A 75 -5.952 4.298 -0.137 1.00 0.00 O ATOM 1185 CB THR A 75 -9.024 3.601 0.383 1.00 0.00 C ATOM 1186 OG1 THR A 75 -9.676 4.803 0.016 1.00 0.00 O ATOM 1187 CG2 THR A 75 -8.432 3.804 1.772 1.00 0.00 C ATOM 0 H THR A 75 -8.949 1.327 -0.581 1.00 0.00 H new ATOM 0 HA THR A 75 -8.065 3.882 -1.526 1.00 0.00 H new ATOM 0 HB THR A 75 -9.720 2.764 0.435 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.324 5.049 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.222 4.094 2.465 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.974 2.875 2.111 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.676 4.589 1.734 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.118 2.130 0.380 1.00 0.00 N ATOM 1196 CA ILE A 76 -4.788 2.079 0.946 1.00 0.00 C ATOM 1197 C ILE A 76 -3.745 2.236 -0.153 1.00 0.00 C ATOM 1198 O ILE A 76 -2.955 3.180 -0.137 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.573 0.766 1.732 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -5.284 0.848 3.084 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -3.093 0.460 1.919 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.587 0.080 3.127 1.00 0.00 C ATOM 0 H ILE A 76 -6.630 1.248 0.409 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.677 2.905 1.648 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.001 -0.052 1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.620 0.465 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.480 1.894 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.981 -0.470 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.616 0.359 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.620 1.272 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.037 0.182 4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.269 0.478 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.395 -0.973 2.922 1.00 0.00 H new ATOM 1214 N TYR A 77 -3.761 1.331 -1.123 1.00 0.00 N ATOM 1215 CA TYR A 77 -2.823 1.406 -2.236 1.00 0.00 C ATOM 1216 C TYR A 77 -2.940 2.763 -2.908 1.00 0.00 C ATOM 1217 O TYR A 77 -1.940 3.390 -3.257 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.085 0.263 -3.229 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.808 0.649 -4.505 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.276 1.584 -5.387 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -5.023 0.064 -4.824 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -3.941 1.928 -6.549 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -5.695 0.400 -5.985 1.00 0.00 C ATOM 1224 CZ TYR A 77 -5.150 1.332 -6.843 1.00 0.00 C ATOM 1225 OH TYR A 77 -5.816 1.671 -7.999 1.00 0.00 O ATOM 0 H TYR A 77 -4.407 0.543 -1.162 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.804 1.294 -1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.129 -0.186 -3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.667 -0.507 -2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.328 2.049 -5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.452 -0.667 -4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.517 2.658 -7.222 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.641 -0.065 -6.218 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.651 1.161 -8.057 1.00 0.00 H new ATOM 1235 N THR A 78 -4.174 3.214 -3.070 1.00 0.00 N ATOM 1236 CA THR A 78 -4.434 4.504 -3.678 1.00 0.00 C ATOM 1237 C THR A 78 -3.846 5.604 -2.804 1.00 0.00 C ATOM 1238 O THR A 78 -3.132 6.480 -3.285 1.00 0.00 O ATOM 1239 CB THR A 78 -5.944 4.705 -3.868 1.00 0.00 C ATOM 1240 OG1 THR A 78 -6.217 5.458 -5.037 1.00 0.00 O ATOM 1241 CG2 THR A 78 -6.604 5.400 -2.707 1.00 0.00 C ATOM 0 H THR A 78 -5.010 2.703 -2.788 1.00 0.00 H new ATOM 0 HA THR A 78 -3.962 4.545 -4.660 1.00 0.00 H new ATOM 0 HB THR A 78 -6.355 3.699 -3.950 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.186 5.570 -5.135 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.670 5.510 -2.907 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.464 4.809 -1.802 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.157 6.385 -2.571 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.137 5.506 -1.506 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.649 6.448 -0.505 1.00 0.00 C ATOM 1251 C GLN A 79 -2.144 6.494 -0.577 1.00 0.00 C ATOM 1252 O GLN A 79 -1.516 7.546 -0.468 1.00 0.00 O ATOM 1253 CB GLN A 79 -4.093 6.025 0.896 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.411 6.651 1.328 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.405 8.166 1.222 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -6.412 8.775 0.862 1.00 0.00 O ATOM 1257 NE2 GLN A 79 -4.270 8.783 1.536 1.00 0.00 N ATOM 0 H GLN A 79 -4.722 4.765 -1.120 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.063 7.436 -0.707 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.188 4.940 0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.318 6.298 1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.217 6.251 0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.624 6.364 2.358 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.458 8.239 1.830 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.211 9.800 1.483 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.590 5.319 -0.799 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.171 5.138 -0.939 1.00 0.00 C ATOM 1268 C ILE A 80 0.339 5.961 -2.124 1.00 0.00 C ATOM 1269 O ILE A 80 1.425 6.538 -2.079 1.00 0.00 O ATOM 1270 CB ILE A 80 0.109 3.637 -1.139 1.00 0.00 C ATOM 1271 CG1 ILE A 80 0.570 3.000 0.165 1.00 0.00 C ATOM 1272 CG2 ILE A 80 1.093 3.386 -2.252 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -0.507 2.151 0.796 1.00 0.00 C ATOM 0 H ILE A 80 -2.126 4.455 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 80 0.351 5.482 -0.046 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.827 3.166 -1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.451 2.386 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.870 3.781 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.259 2.314 -2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.695 3.784 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.037 3.879 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.132 1.718 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.379 2.769 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.789 1.352 0.110 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.477 6.019 -3.176 1.00 0.00 N ATOM 1286 CA GLN A 81 -0.144 6.776 -4.371 1.00 0.00 C ATOM 1287 C GLN A 81 -0.444 8.255 -4.166 1.00 0.00 C ATOM 1288 O GLN A 81 0.209 9.122 -4.747 1.00 0.00 O ATOM 1289 CB GLN A 81 -0.924 6.247 -5.575 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.341 4.973 -6.161 1.00 0.00 C ATOM 1291 CD GLN A 81 -0.313 4.986 -7.676 1.00 0.00 C ATOM 1292 OE1 GLN A 81 -1.090 5.693 -8.317 1.00 0.00 O ATOM 1293 NE2 GLN A 81 0.585 4.201 -8.257 1.00 0.00 N ATOM 0 H GLN A 81 -1.379 5.545 -3.219 1.00 0.00 H new ATOM 0 HA GLN A 81 0.922 6.657 -4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.956 6.061 -5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.949 7.015 -6.348 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.672 4.835 -5.784 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.927 4.120 -5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.210 3.631 -7.686 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.651 4.167 -9.274 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.427 8.532 -3.318 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.808 9.902 -3.005 1.00 0.00 C ATOM 1304 C LYS A 82 -0.797 10.501 -2.066 1.00 0.00 C ATOM 1305 O LYS A 82 -0.496 11.684 -2.131 1.00 0.00 O ATOM 1306 CB LYS A 82 -3.188 9.985 -2.342 1.00 0.00 C ATOM 1307 CG LYS A 82 -4.099 8.834 -2.643 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.459 8.749 -4.110 1.00 0.00 C ATOM 1309 CE LYS A 82 -5.705 9.560 -4.428 1.00 0.00 C ATOM 1310 NZ LYS A 82 -5.515 10.429 -5.621 1.00 0.00 N ATOM 0 H LYS A 82 -1.976 7.822 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.846 10.449 -3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.054 10.051 -1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.674 10.908 -2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.619 7.905 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -5.011 8.932 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.625 9.111 -4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.622 7.707 -4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.543 8.885 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.965 10.177 -3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.388 10.964 -5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.732 11.091 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.292 9.839 -6.448 1.00 0.00 H new ATOM 1324 N ASP A 83 -0.259 9.659 -1.203 1.00 0.00 N ATOM 1325 CA ASP A 83 0.735 10.094 -0.255 1.00 0.00 C ATOM 1326 C ASP A 83 1.964 10.492 -1.034 1.00 0.00 C ATOM 1327 O ASP A 83 2.627 11.490 -0.753 1.00 0.00 O ATOM 1328 CB ASP A 83 1.073 8.974 0.727 1.00 0.00 C ATOM 1329 CG ASP A 83 -0.076 8.656 1.663 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.607 9.596 2.291 1.00 0.00 O ATOM 1331 OD2 ASP A 83 -0.444 7.467 1.771 1.00 0.00 O ATOM 0 H ASP A 83 -0.498 8.669 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 83 0.357 10.936 0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.343 8.077 0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.946 9.260 1.313 1.00 0.00 H new ATOM 1336 N ILE A 84 2.220 9.691 -2.049 1.00 0.00 N ATOM 1337 CA ILE A 84 3.318 9.897 -2.950 1.00 0.00 C ATOM 1338 C ILE A 84 3.140 11.231 -3.678 1.00 0.00 C ATOM 1339 O ILE A 84 3.951 12.147 -3.538 1.00 0.00 O ATOM 1340 CB ILE A 84 3.361 8.733 -3.970 1.00 0.00 C ATOM 1341 CG1 ILE A 84 4.254 7.586 -3.497 1.00 0.00 C ATOM 1342 CG2 ILE A 84 3.829 9.229 -5.303 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.288 7.419 -2.003 1.00 0.00 C ATOM 0 H ILE A 84 1.658 8.868 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 84 4.255 9.923 -2.394 1.00 0.00 H new ATOM 0 HB ILE A 84 2.347 8.345 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.906 6.657 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.269 7.756 -3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.855 8.401 -6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.145 9.996 -5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.829 9.652 -5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.942 6.586 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.665 8.333 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.282 7.217 -1.636 1.00 0.00 H new ATOM 1355 N LYS A 85 2.069 11.315 -4.466 1.00 0.00 N ATOM 1356 CA LYS A 85 1.758 12.509 -5.238 1.00 0.00 C ATOM 1357 C LYS A 85 1.500 13.723 -4.354 1.00 0.00 C ATOM 1358 O LYS A 85 1.778 14.857 -4.746 1.00 0.00 O ATOM 1359 CB LYS A 85 0.531 12.263 -6.115 1.00 0.00 C ATOM 1360 CG LYS A 85 0.786 12.498 -7.593 1.00 0.00 C ATOM 1361 CD LYS A 85 1.982 11.697 -8.073 1.00 0.00 C ATOM 1362 CE LYS A 85 1.767 10.213 -7.867 1.00 0.00 C ATOM 1363 NZ LYS A 85 0.741 9.662 -8.795 1.00 0.00 N ATOM 0 H LYS A 85 1.396 10.557 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 85 2.631 12.721 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.192 11.237 -5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.278 12.915 -5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.097 12.218 -8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.959 13.559 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.157 11.898 -9.130 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.875 12.015 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.710 9.686 -8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.459 10.031 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.674 8.632 -8.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.181 10.097 -8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.013 9.871 -9.777 1.00 0.00 H new ATOM 1377 N ASN A 86 0.939 13.486 -3.179 1.00 0.00 N ATOM 1378 CA ASN A 86 0.614 14.583 -2.266 1.00 0.00 C ATOM 1379 C ASN A 86 1.844 15.123 -1.553 1.00 0.00 C ATOM 1380 O ASN A 86 1.799 16.206 -0.970 1.00 0.00 O ATOM 1381 CB ASN A 86 -0.430 14.156 -1.231 1.00 0.00 C ATOM 1382 CG ASN A 86 -1.820 14.028 -1.826 1.00 0.00 C ATOM 1383 OD1 ASN A 86 -2.495 13.015 -1.645 1.00 0.00 O ATOM 1384 ND2 ASN A 86 -2.258 15.061 -2.537 1.00 0.00 N ATOM 0 H ASN A 86 0.699 12.557 -2.833 1.00 0.00 H new ATOM 0 HA ASN A 86 0.201 15.381 -2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.136 13.201 -0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.451 14.884 -0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.187 15.033 -2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.666 15.882 -2.662 1.00 0.00 H new ATOM 1391 N GLY A 87 2.933 14.372 -1.585 1.00 0.00 N ATOM 1392 CA GLY A 87 4.137 14.814 -0.918 1.00 0.00 C ATOM 1393 C GLY A 87 4.142 14.424 0.544 1.00 0.00 C ATOM 1394 O GLY A 87 4.645 15.160 1.393 1.00 0.00 O ATOM 0 H GLY A 87 3.005 13.471 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.007 14.382 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.225 15.897 -1.006 1.00 0.00 H new ATOM 1398 N ASN A 88 3.602 13.247 0.828 1.00 0.00 N ATOM 1399 CA ASN A 88 3.560 12.727 2.178 1.00 0.00 C ATOM 1400 C ASN A 88 4.728 11.782 2.357 1.00 0.00 C ATOM 1401 O ASN A 88 5.254 11.599 3.455 1.00 0.00 O ATOM 1402 CB ASN A 88 2.240 12.000 2.441 1.00 0.00 C ATOM 1403 CG ASN A 88 1.196 12.906 3.060 1.00 0.00 C ATOM 1404 OD1 ASN A 88 0.766 13.887 2.451 1.00 0.00 O ATOM 1405 ND2 ASN A 88 0.780 12.582 4.279 1.00 0.00 N ATOM 0 H ASN A 88 3.184 12.632 0.130 1.00 0.00 H new ATOM 0 HA ASN A 88 3.629 13.549 2.891 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.857 11.597 1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.420 11.153 3.103 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.078 13.155 4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.163 11.761 4.747 1.00 0.00 H new ATOM 1412 N ILE A 89 5.130 11.201 1.236 1.00 0.00 N ATOM 1413 CA ILE A 89 6.224 10.292 1.166 1.00 0.00 C ATOM 1414 C ILE A 89 7.406 11.025 0.558 1.00 0.00 C ATOM 1415 O ILE A 89 7.214 12.004 -0.164 1.00 0.00 O ATOM 1416 CB ILE A 89 5.807 9.141 0.263 1.00 0.00 C ATOM 1417 CG1 ILE A 89 4.512 8.483 0.760 1.00 0.00 C ATOM 1418 CG2 ILE A 89 6.913 8.155 0.184 1.00 0.00 C ATOM 1419 CD1 ILE A 89 4.362 8.464 2.265 1.00 0.00 C ATOM 0 H ILE A 89 4.681 11.365 0.335 1.00 0.00 H new ATOM 0 HA ILE A 89 6.499 9.912 2.150 1.00 0.00 H new ATOM 0 HB ILE A 89 5.604 9.530 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.661 9.010 0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.473 7.459 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.618 7.328 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.801 8.637 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.133 7.775 1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.421 7.982 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.191 7.910 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.366 9.486 2.644 1.00 0.00 H new ATOM 1431 N ASP A 90 8.617 10.559 0.805 1.00 0.00 N ATOM 1432 CA ASP A 90 9.764 11.209 0.217 1.00 0.00 C ATOM 1433 C ASP A 90 10.032 10.524 -1.093 1.00 0.00 C ATOM 1434 O ASP A 90 11.034 9.834 -1.275 1.00 0.00 O ATOM 1435 CB ASP A 90 10.987 11.210 1.145 1.00 0.00 C ATOM 1436 CG ASP A 90 11.367 12.607 1.595 1.00 0.00 C ATOM 1437 OD1 ASP A 90 11.906 13.373 0.767 1.00 0.00 O ATOM 1438 OD2 ASP A 90 11.126 12.937 2.776 1.00 0.00 O ATOM 0 H ASP A 90 8.825 9.753 1.394 1.00 0.00 H new ATOM 0 HA ASP A 90 9.553 12.266 0.054 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.777 10.594 2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.832 10.754 0.629 1.00 0.00 H new ATOM 1443 N THR A 91 9.073 10.707 -2.002 1.00 0.00 N ATOM 1444 CA THR A 91 9.124 10.099 -3.314 1.00 0.00 C ATOM 1445 C THR A 91 10.449 10.363 -4.005 1.00 0.00 C ATOM 1446 O THR A 91 10.769 9.723 -5.002 1.00 0.00 O ATOM 1447 CB THR A 91 7.952 10.568 -4.167 1.00 0.00 C ATOM 1448 OG1 THR A 91 7.348 11.725 -3.616 1.00 0.00 O ATOM 1449 CG2 THR A 91 6.886 9.512 -4.308 1.00 0.00 C ATOM 0 H THR A 91 8.245 11.281 -1.841 1.00 0.00 H new ATOM 0 HA THR A 91 9.042 9.020 -3.184 1.00 0.00 H new ATOM 0 HB THR A 91 8.370 10.788 -5.149 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.600 12.006 -4.184 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.073 9.896 -4.925 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.312 8.626 -4.779 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.501 9.250 -3.323 1.00 0.00 H new ATOM 1457 N GLU A 92 11.237 11.265 -3.442 1.00 0.00 N ATOM 1458 CA GLU A 92 12.546 11.555 -3.974 1.00 0.00 C ATOM 1459 C GLU A 92 13.402 10.323 -3.790 1.00 0.00 C ATOM 1460 O GLU A 92 14.192 9.952 -4.657 1.00 0.00 O ATOM 1461 CB GLU A 92 13.177 12.744 -3.246 1.00 0.00 C ATOM 1462 CG GLU A 92 12.176 13.584 -2.475 1.00 0.00 C ATOM 1463 CD GLU A 92 12.652 15.005 -2.248 1.00 0.00 C ATOM 1464 OE1 GLU A 92 12.734 15.768 -3.234 1.00 0.00 O ATOM 1465 OE2 GLU A 92 12.943 15.355 -1.085 1.00 0.00 O ATOM 0 H GLU A 92 10.986 11.807 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 92 12.468 11.816 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.937 12.376 -2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.686 13.376 -3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.231 13.605 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.979 13.113 -1.512 1.00 0.00 H new ATOM 1472 N LYS A 93 13.198 9.675 -2.651 1.00 0.00 N ATOM 1473 CA LYS A 93 13.901 8.462 -2.327 1.00 0.00 C ATOM 1474 C LYS A 93 13.296 7.328 -3.129 1.00 0.00 C ATOM 1475 O LYS A 93 13.995 6.631 -3.865 1.00 0.00 O ATOM 1476 CB LYS A 93 13.891 8.247 -0.810 1.00 0.00 C ATOM 1477 CG LYS A 93 12.789 7.365 -0.274 1.00 0.00 C ATOM 1478 CD LYS A 93 12.405 7.810 1.121 1.00 0.00 C ATOM 1479 CE LYS A 93 10.973 8.291 1.161 1.00 0.00 C ATOM 1480 NZ LYS A 93 10.368 8.138 2.511 1.00 0.00 N ATOM 0 H LYS A 93 12.541 9.982 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 93 14.954 8.516 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.849 7.816 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.818 9.221 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.921 7.412 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.119 6.326 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.534 6.983 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.070 8.609 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.935 9.339 0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.383 7.732 0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.343 8.302 2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.546 7.176 2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.792 8.829 3.162 1.00 0.00 H new ATOM 1494 N LEU A 94 11.981 7.202 -3.052 1.00 0.00 N ATOM 1495 CA LEU A 94 11.267 6.229 -3.836 1.00 0.00 C ATOM 1496 C LEU A 94 11.648 6.381 -5.292 1.00 0.00 C ATOM 1497 O LEU A 94 11.665 5.420 -6.050 1.00 0.00 O ATOM 1498 CB LEU A 94 9.789 6.492 -3.682 1.00 0.00 C ATOM 1499 CG LEU A 94 9.141 5.699 -2.590 1.00 0.00 C ATOM 1500 CD1 LEU A 94 8.269 6.605 -1.751 1.00 0.00 C ATOM 1501 CD2 LEU A 94 8.362 4.533 -3.176 1.00 0.00 C ATOM 0 H LEU A 94 11.389 7.771 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 94 11.512 5.221 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.638 7.553 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.290 6.268 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 94 9.906 5.278 -1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.799 6.025 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.880 7.393 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.498 7.052 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.896 3.965 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.590 4.911 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.040 3.885 -3.732 1.00 0.00 H new ATOM 1513 N ARG A 95 11.945 7.617 -5.669 1.00 0.00 N ATOM 1514 CA ARG A 95 12.321 7.925 -7.021 1.00 0.00 C ATOM 1515 C ARG A 95 13.647 7.283 -7.356 1.00 0.00 C ATOM 1516 O ARG A 95 13.834 6.784 -8.453 1.00 0.00 O ATOM 1517 CB ARG A 95 12.378 9.449 -7.180 1.00 0.00 C ATOM 1518 CG ARG A 95 13.536 9.972 -8.010 1.00 0.00 C ATOM 1519 CD ARG A 95 13.093 10.383 -9.406 1.00 0.00 C ATOM 1520 NE ARG A 95 13.198 11.826 -9.610 1.00 0.00 N ATOM 1521 CZ ARG A 95 14.337 12.455 -9.883 1.00 0.00 C ATOM 1522 NH1 ARG A 95 15.471 11.773 -9.994 1.00 0.00 N ATOM 1523 NH2 ARG A 95 14.345 13.772 -10.048 1.00 0.00 N ATOM 0 H ARG A 95 11.929 8.422 -5.043 1.00 0.00 H new ATOM 0 HA ARG A 95 11.583 7.524 -7.716 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.446 9.785 -7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.430 9.899 -6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.987 10.827 -7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.305 9.203 -8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.703 9.867 -10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 95 12.062 10.068 -9.567 1.00 0.00 H new ATOM 0 HE ARG A 95 12.347 12.384 -9.539 1.00 0.00 H new ATOM 0 HH11 ARG A 95 15.472 10.761 -9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.342 12.262 -10.204 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.477 14.302 -9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.219 14.254 -10.257 1.00 0.00 H new ATOM 1537 N LYS A 96 14.555 7.292 -6.400 1.00 0.00 N ATOM 1538 CA LYS A 96 15.868 6.696 -6.609 1.00 0.00 C ATOM 1539 C LYS A 96 15.766 5.188 -6.549 1.00 0.00 C ATOM 1540 O LYS A 96 16.345 4.471 -7.368 1.00 0.00 O ATOM 1541 CB LYS A 96 16.874 7.195 -5.566 1.00 0.00 C ATOM 1542 CG LYS A 96 16.896 8.705 -5.395 1.00 0.00 C ATOM 1543 CD LYS A 96 16.926 9.424 -6.735 1.00 0.00 C ATOM 1544 CE LYS A 96 18.268 9.253 -7.429 1.00 0.00 C ATOM 1545 NZ LYS A 96 18.110 8.839 -8.851 1.00 0.00 N ATOM 0 H LYS A 96 14.414 7.701 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 96 16.224 6.995 -7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.643 6.735 -4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.871 6.858 -5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.017 9.020 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.769 8.992 -4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 96 16.133 9.037 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.726 10.485 -6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.822 10.191 -7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 96 18.859 8.507 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 18.246 7.811 -8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.156 9.089 -9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.818 9.328 -9.436 1.00 0.00 H new ATOM 1559 N TYR A 97 15.020 4.720 -5.569 1.00 0.00 N ATOM 1560 CA TYR A 97 14.821 3.305 -5.375 1.00 0.00 C ATOM 1561 C TYR A 97 13.927 2.722 -6.466 1.00 0.00 C ATOM 1562 O TYR A 97 14.104 1.575 -6.860 1.00 0.00 O ATOM 1563 CB TYR A 97 14.244 3.060 -3.979 1.00 0.00 C ATOM 1564 CG TYR A 97 13.218 1.968 -3.917 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.588 0.652 -4.128 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.890 2.249 -3.643 1.00 0.00 C ATOM 1567 CE1 TYR A 97 12.661 -0.364 -4.069 1.00 0.00 C ATOM 1568 CE2 TYR A 97 10.957 1.242 -3.583 1.00 0.00 C ATOM 1569 CZ TYR A 97 11.346 -0.067 -3.795 1.00 0.00 C ATOM 1570 OH TYR A 97 10.417 -1.079 -3.734 1.00 0.00 O ATOM 0 H TYR A 97 14.538 5.309 -4.890 1.00 0.00 H new ATOM 0 HA TYR A 97 15.781 2.794 -5.448 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.060 2.814 -3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.795 3.985 -3.617 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.620 0.418 -4.342 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.584 3.271 -3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.964 -1.387 -4.237 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.923 1.473 -3.371 1.00 0.00 H new ATOM 0 HH TYR A 97 10.851 -1.904 -3.432 1.00 0.00 H new ATOM 1580 N GLU A 98 12.979 3.511 -6.968 1.00 0.00 N ATOM 1581 CA GLU A 98 12.097 3.025 -8.018 1.00 0.00 C ATOM 1582 C GLU A 98 12.870 2.874 -9.317 1.00 0.00 C ATOM 1583 O GLU A 98 12.574 1.996 -10.126 1.00 0.00 O ATOM 1584 CB GLU A 98 10.884 3.943 -8.213 1.00 0.00 C ATOM 1585 CG GLU A 98 11.213 5.271 -8.869 1.00 0.00 C ATOM 1586 CD GLU A 98 9.998 6.167 -9.020 1.00 0.00 C ATOM 1587 OE1 GLU A 98 8.873 5.697 -8.748 1.00 0.00 O ATOM 1588 OE2 GLU A 98 10.172 7.341 -9.411 1.00 0.00 O ATOM 0 H GLU A 98 12.806 4.471 -6.670 1.00 0.00 H new ATOM 0 HA GLU A 98 11.718 2.050 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.142 3.424 -8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.425 4.133 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.968 5.787 -8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.649 5.088 -9.851 1.00 0.00 H new ATOM 1595 N ILE A 99 13.882 3.717 -9.506 1.00 0.00 N ATOM 1596 CA ILE A 99 14.703 3.634 -10.703 1.00 0.00 C ATOM 1597 C ILE A 99 15.391 2.293 -10.745 1.00 0.00 C ATOM 1598 O ILE A 99 15.357 1.577 -11.745 1.00 0.00 O ATOM 1599 CB ILE A 99 15.790 4.723 -10.751 1.00 0.00 C ATOM 1600 CG1 ILE A 99 15.185 6.075 -10.447 1.00 0.00 C ATOM 1601 CG2 ILE A 99 16.482 4.726 -12.104 1.00 0.00 C ATOM 1602 CD1 ILE A 99 16.163 7.224 -10.542 1.00 0.00 C ATOM 0 H ILE A 99 14.148 4.455 -8.854 1.00 0.00 H new ATOM 0 HA ILE A 99 14.037 3.773 -11.555 1.00 0.00 H new ATOM 0 HB ILE A 99 16.541 4.505 -9.992 1.00 0.00 H new ATOM 0 HG12 ILE A 99 14.361 6.256 -11.137 1.00 0.00 H new ATOM 0 HG13 ILE A 99 14.762 6.054 -9.443 1.00 0.00 H new ATOM 0 HG21 ILE A 99 17.247 5.502 -12.120 1.00 0.00 H new ATOM 0 HG22 ILE A 99 16.946 3.755 -12.277 1.00 0.00 H new ATOM 0 HG23 ILE A 99 15.750 4.923 -12.887 1.00 0.00 H new ATOM 0 HD11 ILE A 99 15.651 8.158 -10.310 1.00 0.00 H new ATOM 0 HD12 ILE A 99 16.976 7.070 -9.832 1.00 0.00 H new ATOM 0 HD13 ILE A 99 16.568 7.274 -11.553 1.00 0.00 H new ATOM 1614 N ALA A 100 16.010 1.974 -9.627 1.00 0.00 N ATOM 1615 CA ALA A 100 16.726 0.718 -9.473 1.00 0.00 C ATOM 1616 C ALA A 100 15.784 -0.473 -9.478 1.00 0.00 C ATOM 1617 O ALA A 100 16.224 -1.623 -9.487 1.00 0.00 O ATOM 1618 CB ALA A 100 17.549 0.736 -8.195 1.00 0.00 C ATOM 0 H ALA A 100 16.033 2.573 -8.801 1.00 0.00 H new ATOM 0 HA ALA A 100 17.394 0.611 -10.328 1.00 0.00 H new ATOM 0 HB1 ALA A 100 18.080 -0.210 -8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 100 18.269 1.554 -8.237 1.00 0.00 H new ATOM 0 HB3 ALA A 100 16.889 0.877 -7.339 1.00 0.00 H new ATOM 1624 N LYS A 101 14.493 -0.199 -9.449 1.00 0.00 N ATOM 1625 CA LYS A 101 13.504 -1.243 -9.428 1.00 0.00 C ATOM 1626 C LYS A 101 12.744 -1.359 -10.743 1.00 0.00 C ATOM 1627 O LYS A 101 12.325 -2.447 -11.136 1.00 0.00 O ATOM 1628 CB LYS A 101 12.530 -0.961 -8.309 1.00 0.00 C ATOM 1629 CG LYS A 101 13.129 -1.090 -6.927 1.00 0.00 C ATOM 1630 CD LYS A 101 13.925 -2.367 -6.750 1.00 0.00 C ATOM 1631 CE LYS A 101 13.065 -3.601 -6.960 1.00 0.00 C ATOM 1632 NZ LYS A 101 13.689 -4.554 -7.920 1.00 0.00 N ATOM 0 H LYS A 101 14.110 0.746 -9.440 1.00 0.00 H new ATOM 0 HA LYS A 101 14.021 -2.190 -9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.135 0.048 -8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.686 -1.646 -8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.776 -0.234 -6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.331 -1.059 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.756 -2.378 -7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.357 -2.391 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.906 -4.100 -6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.084 -3.302 -7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.312 -5.509 -7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.471 -4.259 -8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.720 -4.560 -7.783 1.00 0.00 H new ATOM 1646 N GLY A 102 12.536 -0.226 -11.399 1.00 0.00 N ATOM 1647 CA GLY A 102 11.782 -0.222 -12.641 1.00 0.00 C ATOM 1648 C GLY A 102 10.364 -0.696 -12.401 1.00 0.00 C ATOM 1649 O GLY A 102 9.881 -1.618 -13.058 1.00 0.00 O ATOM 0 H GLY A 102 12.873 0.688 -11.097 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.769 0.783 -13.063 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.269 -0.868 -13.371 1.00 0.00 H new ATOM 1653 N LEU A 103 9.719 -0.085 -11.411 1.00 0.00 N ATOM 1654 CA LEU A 103 8.365 -0.458 -11.012 1.00 0.00 C ATOM 1655 C LEU A 103 7.274 0.178 -11.882 1.00 0.00 C ATOM 1656 O LEU A 103 7.521 0.619 -13.005 1.00 0.00 O ATOM 1657 CB LEU A 103 8.149 -0.090 -9.544 1.00 0.00 C ATOM 1658 CG LEU A 103 9.309 -0.450 -8.614 1.00 0.00 C ATOM 1659 CD1 LEU A 103 9.710 0.753 -7.779 1.00 0.00 C ATOM 1660 CD2 LEU A 103 8.936 -1.623 -7.720 1.00 0.00 C ATOM 0 H LEU A 103 10.118 0.679 -10.865 1.00 0.00 H new ATOM 0 HA LEU A 103 8.277 -1.535 -11.153 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.967 0.983 -9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.248 -0.589 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 103 10.162 -0.746 -9.225 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.536 0.481 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.021 1.565 -8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.861 1.078 -7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.774 -1.863 -7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.069 -1.358 -7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.697 -2.489 -8.337 1.00 0.00 H new