USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 971 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 NoAdj-H: B 219 HIS HE2 : B 219 HIS NE2 : B 300 ZNZN :(H bumps) USER MOD Set 1.1: B 214 SER OG : rot 38:sc= -0.0293! USER MOD Set 1.2: B 215 HIS : no HD1:sc= 0.753 K(o=0.72,f=-3.1) USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= 0.00195 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc=-0.000565 USER MOD Set 3.2: A 25 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.8!) USER MOD Set 4.1: A 7 THR OG1 : rot 110:sc= 0.888 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.141 (180deg=-0.392) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.15 (180deg=1.05) USER MOD Single : A 2 GLN : amide:sc= -0.474 K(o=-0.47,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -76:sc= 1.18 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= -0.283 (180deg=-0.298) USER MOD Single : A 31 GLN : amide:sc= -5.01 K(o=-5,f=-11!) USER MOD Single : A 33 LYS NZ :NH3+ -132:sc= -1.25 (180deg=-4.46!) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 41 GLN : amide:sc= -2.67 K(o=-2.7,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.235 (180deg=-0.652) USER MOD Single : A 49 GLN : amide:sc= -0.0968 K(o=-0.097,f=-0.78) USER MOD Single : A 59 TYR OH : rot -165:sc= -1.51 USER MOD Single : A 60 ASN : amide:sc= -0.0272 K(o=-0.027,f=-0.82) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 102:sc= 0.984 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.819 X(o=-0.82,f=-0.77) USER MOD Single : B 198 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.34) USER MOD Single : B 200 THR OG1 : rot 180:sc= 0.0039 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 217 ASN : amide:sc= -1.04 K(o=-1,f=-2!) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot -27:sc= 0.267 USER MOD Single : B 225 SER OG : rot 84:sc= 0.699 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 232 SER OG : rot 180:sc= -0.194 USER MOD Single : B 235 SER OG : rot 180:sc= 0 USER MOD Single : B 236 SER OG : rot 180:sc= 0 USER MOD Single : B 238 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 239 LYS NZ :NH3+ 164:sc= -0.0257 (180deg=-0.281) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.880 16.280 10.678 1.00 0.00 N ATOM 2 CA MET A 1 96.948 14.877 11.160 1.00 0.00 C ATOM 3 C MET A 1 98.222 14.230 10.653 1.00 0.00 C ATOM 4 O MET A 1 98.346 13.906 9.470 1.00 0.00 O ATOM 5 CB MET A 1 95.740 14.089 10.647 1.00 0.00 C ATOM 6 CG MET A 1 95.735 12.649 11.201 1.00 0.00 C ATOM 7 SD MET A 1 95.114 11.523 9.920 1.00 0.00 S ATOM 8 CE MET A 1 93.485 11.204 10.629 1.00 0.00 C ATOM 0 H1 MET A 1 95.975 16.703 10.968 1.00 0.00 H new ATOM 0 H2 MET A 1 97.665 16.826 11.087 1.00 0.00 H new ATOM 0 H3 MET A 1 96.952 16.295 9.641 1.00 0.00 H new ATOM 0 HA MET A 1 96.942 14.873 12.250 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.821 14.597 10.939 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.757 14.062 9.557 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.742 12.358 11.502 1.00 0.00 H new ATOM 0 HG3 MET A 1 95.107 12.590 12.090 1.00 0.00 H new ATOM 0 HE1 MET A 1 93.124 10.233 10.289 1.00 0.00 H new ATOM 0 HE2 MET A 1 93.555 11.205 11.717 1.00 0.00 H new ATOM 0 HE3 MET A 1 92.791 11.981 10.310 1.00 0.00 H new ATOM 20 N GLN A 2 99.147 14.024 11.574 1.00 0.00 N ATOM 21 CA GLN A 2 100.413 13.385 11.241 1.00 0.00 C ATOM 22 C GLN A 2 100.245 11.878 11.313 1.00 0.00 C ATOM 23 O GLN A 2 99.967 11.326 12.376 1.00 0.00 O ATOM 24 CB GLN A 2 101.525 13.834 12.200 1.00 0.00 C ATOM 25 CG GLN A 2 102.870 13.220 11.781 1.00 0.00 C ATOM 26 CD GLN A 2 103.997 13.806 12.626 1.00 0.00 C ATOM 27 OE1 GLN A 2 103.969 14.988 12.974 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.986 13.040 12.991 1.00 0.00 N ATOM 0 H GLN A 2 99.049 14.288 12.554 1.00 0.00 H new ATOM 0 HA GLN A 2 100.700 13.678 10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.598 14.922 12.199 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.281 13.531 13.218 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.838 12.137 11.903 1.00 0.00 H new ATOM 0 HG3 GLN A 2 103.056 13.417 10.725 1.00 0.00 H new ATOM 0 HE21 GLN A 2 105.007 12.062 12.702 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.739 13.418 13.566 1.00 0.00 H new ATOM 37 N ILE A 3 100.424 11.232 10.167 1.00 0.00 N ATOM 38 CA ILE A 3 100.310 9.781 10.064 1.00 0.00 C ATOM 39 C ILE A 3 101.608 9.216 9.514 1.00 0.00 C ATOM 40 O ILE A 3 102.435 9.960 8.985 1.00 0.00 O ATOM 41 CB ILE A 3 99.129 9.387 9.161 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.283 10.040 7.773 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.822 9.851 9.819 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.303 9.408 6.779 1.00 0.00 C ATOM 0 H ILE A 3 100.651 11.695 9.287 1.00 0.00 H new ATOM 0 HA ILE A 3 100.124 9.368 11.055 1.00 0.00 H new ATOM 0 HB ILE A 3 99.111 8.305 9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.099 11.112 7.845 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.305 9.916 7.416 1.00 0.00 H new ATOM 0 HG21 ILE A 3 96.978 9.576 9.186 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.716 9.374 10.793 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.843 10.933 9.946 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.422 9.878 5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.507 8.341 6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.282 9.555 7.131 1.00 0.00 H new ATOM 56 N PHE A 4 101.783 7.909 9.658 1.00 0.00 N ATOM 57 CA PHE A 4 102.993 7.245 9.181 1.00 0.00 C ATOM 58 C PHE A 4 102.617 6.148 8.203 1.00 0.00 C ATOM 59 O PHE A 4 101.606 5.464 8.390 1.00 0.00 O ATOM 60 CB PHE A 4 103.761 6.626 10.356 1.00 0.00 C ATOM 61 CG PHE A 4 104.148 7.701 11.349 1.00 0.00 C ATOM 62 CD1 PHE A 4 105.318 8.445 11.161 1.00 0.00 C ATOM 63 CD2 PHE A 4 103.327 7.953 12.456 1.00 0.00 C ATOM 64 CE1 PHE A 4 105.669 9.438 12.084 1.00 0.00 C ATOM 65 CE2 PHE A 4 103.678 8.945 13.378 1.00 0.00 C ATOM 66 CZ PHE A 4 104.849 9.688 13.191 1.00 0.00 C ATOM 0 H PHE A 4 101.106 7.287 10.100 1.00 0.00 H new ATOM 0 HA PHE A 4 103.626 7.983 8.689 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.145 5.872 10.846 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.654 6.119 9.990 1.00 0.00 H new ATOM 0 HD1 PHE A 4 105.949 8.254 10.306 1.00 0.00 H new ATOM 0 HD2 PHE A 4 102.422 7.381 12.598 1.00 0.00 H new ATOM 0 HE1 PHE A 4 106.573 10.011 11.942 1.00 0.00 H new ATOM 0 HE2 PHE A 4 103.046 9.137 14.233 1.00 0.00 H new ATOM 0 HZ PHE A 4 105.120 10.455 13.901 1.00 0.00 H new ATOM 76 N VAL A 5 103.436 5.974 7.171 1.00 0.00 N ATOM 77 CA VAL A 5 103.195 4.940 6.168 1.00 0.00 C ATOM 78 C VAL A 5 104.420 4.034 6.118 1.00 0.00 C ATOM 79 O VAL A 5 105.558 4.517 6.114 1.00 0.00 O ATOM 80 CB VAL A 5 102.897 5.569 4.787 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.600 4.466 3.763 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.680 6.502 4.890 1.00 0.00 C ATOM 0 H VAL A 5 104.272 6.535 7.006 1.00 0.00 H new ATOM 0 HA VAL A 5 102.318 4.352 6.438 1.00 0.00 H new ATOM 0 HB VAL A 5 103.769 6.139 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.391 4.917 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.463 3.806 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.734 3.890 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.475 6.942 3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.812 5.932 5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 5 101.889 7.295 5.609 1.00 0.00 H new ATOM 92 N LYS A 6 104.179 2.724 6.093 1.00 0.00 N ATOM 93 CA LYS A 6 105.263 1.750 6.060 1.00 0.00 C ATOM 94 C LYS A 6 105.112 0.818 4.867 1.00 0.00 C ATOM 95 O LYS A 6 104.114 0.103 4.746 1.00 0.00 O ATOM 96 CB LYS A 6 105.260 0.930 7.351 1.00 0.00 C ATOM 97 CG LYS A 6 106.536 0.089 7.428 1.00 0.00 C ATOM 98 CD LYS A 6 106.563 -0.680 8.747 1.00 0.00 C ATOM 99 CE LYS A 6 107.840 -1.514 8.818 1.00 0.00 C ATOM 100 NZ LYS A 6 107.883 -2.248 10.114 1.00 0.00 N ATOM 0 H LYS A 6 103.244 2.316 6.095 1.00 0.00 H new ATOM 0 HA LYS A 6 106.207 2.287 5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.196 1.592 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.383 0.283 7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.577 -0.606 6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.413 0.732 7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.521 0.014 9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.688 -1.326 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 6 107.873 -2.219 7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 6 108.714 -0.869 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 108.753 -2.816 10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 107.870 -1.567 10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 107.056 -2.874 10.186 1.00 0.00 H new ATOM 114 N THR A 7 106.107 0.853 3.987 1.00 0.00 N ATOM 115 CA THR A 7 106.094 0.024 2.786 1.00 0.00 C ATOM 116 C THR A 7 106.527 -1.397 3.129 1.00 0.00 C ATOM 117 O THR A 7 107.078 -1.645 4.205 1.00 0.00 O ATOM 118 CB THR A 7 107.047 0.605 1.729 1.00 0.00 C ATOM 119 OG1 THR A 7 108.378 0.571 2.230 1.00 0.00 O ATOM 120 CG2 THR A 7 106.663 2.052 1.404 1.00 0.00 C ATOM 0 H THR A 7 106.932 1.445 4.082 1.00 0.00 H new ATOM 0 HA THR A 7 105.080 0.009 2.386 1.00 0.00 H new ATOM 0 HB THR A 7 106.976 0.009 0.819 1.00 0.00 H new ATOM 0 HG1 THR A 7 108.895 -0.101 1.739 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.347 2.450 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 7 105.644 2.080 1.018 1.00 0.00 H new ATOM 0 HG23 THR A 7 106.725 2.657 2.309 1.00 0.00 H new ATOM 128 N LEU A 8 106.264 -2.321 2.209 1.00 0.00 N ATOM 129 CA LEU A 8 106.613 -3.730 2.400 1.00 0.00 C ATOM 130 C LEU A 8 108.126 -3.920 2.510 1.00 0.00 C ATOM 131 O LEU A 8 108.590 -4.899 3.100 1.00 0.00 O ATOM 132 CB LEU A 8 106.091 -4.554 1.220 1.00 0.00 C ATOM 133 CG LEU A 8 104.558 -4.505 1.177 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.071 -5.081 -0.157 1.00 0.00 C ATOM 135 CD2 LEU A 8 103.977 -5.328 2.332 1.00 0.00 C ATOM 0 H LEU A 8 105.808 -2.120 1.319 1.00 0.00 H new ATOM 0 HA LEU A 8 106.153 -4.066 3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.501 -4.167 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.427 -5.587 1.311 1.00 0.00 H new ATOM 0 HG LEU A 8 104.227 -3.471 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 8 102.982 -5.048 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.478 -4.491 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.406 -6.114 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 8 102.888 -5.289 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.306 -6.363 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.323 -4.918 3.281 1.00 0.00 H new ATOM 147 N THR A 9 108.882 -2.980 1.946 1.00 0.00 N ATOM 148 CA THR A 9 110.342 -3.037 1.986 1.00 0.00 C ATOM 149 C THR A 9 110.885 -2.645 3.370 1.00 0.00 C ATOM 150 O THR A 9 112.062 -2.873 3.660 1.00 0.00 O ATOM 151 CB THR A 9 110.919 -2.111 0.911 1.00 0.00 C ATOM 152 OG1 THR A 9 110.412 -0.796 1.102 1.00 0.00 O ATOM 153 CG2 THR A 9 110.515 -2.619 -0.480 1.00 0.00 C ATOM 0 H THR A 9 108.507 -2.168 1.455 1.00 0.00 H new ATOM 0 HA THR A 9 110.650 -4.064 1.791 1.00 0.00 H new ATOM 0 HB THR A 9 112.006 -2.099 0.987 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.780 -0.201 0.416 1.00 0.00 H new ATOM 0 HG21 THR A 9 110.927 -1.958 -1.243 1.00 0.00 H new ATOM 0 HG22 THR A 9 110.903 -3.627 -0.626 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.428 -2.633 -0.561 1.00 0.00 H new ATOM 161 N GLY A 10 110.025 -2.063 4.217 1.00 0.00 N ATOM 162 CA GLY A 10 110.428 -1.653 5.565 1.00 0.00 C ATOM 163 C GLY A 10 110.641 -0.138 5.676 1.00 0.00 C ATOM 164 O GLY A 10 110.850 0.374 6.778 1.00 0.00 O ATOM 0 H GLY A 10 109.050 -1.867 3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.665 -1.963 6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.349 -2.168 5.838 1.00 0.00 H new ATOM 168 N LYS A 11 110.584 0.575 4.542 1.00 0.00 N ATOM 169 CA LYS A 11 110.771 2.022 4.542 1.00 0.00 C ATOM 170 C LYS A 11 109.670 2.685 5.362 1.00 0.00 C ATOM 171 O LYS A 11 108.555 2.165 5.453 1.00 0.00 O ATOM 172 CB LYS A 11 110.747 2.564 3.112 1.00 0.00 C ATOM 173 CG LYS A 11 111.161 4.041 3.117 1.00 0.00 C ATOM 174 CD LYS A 11 111.186 4.564 1.685 1.00 0.00 C ATOM 175 CE LYS A 11 111.616 6.031 1.684 1.00 0.00 C ATOM 176 NZ LYS A 11 111.645 6.538 0.282 1.00 0.00 N ATOM 0 H LYS A 11 110.411 0.171 3.622 1.00 0.00 H new ATOM 0 HA LYS A 11 111.740 2.249 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.425 1.988 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 11 109.749 2.457 2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.462 4.624 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.144 4.153 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 11 111.875 3.972 1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.199 4.463 1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 11 110.925 6.624 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.601 6.133 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 111.937 7.536 0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 112.321 5.978 -0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 110.697 6.454 -0.137 1.00 0.00 H new ATOM 190 N THR A 12 109.997 3.836 5.952 1.00 0.00 N ATOM 191 CA THR A 12 109.033 4.575 6.766 1.00 0.00 C ATOM 192 C THR A 12 109.005 6.049 6.369 1.00 0.00 C ATOM 193 O THR A 12 110.045 6.708 6.309 1.00 0.00 O ATOM 194 CB THR A 12 109.389 4.445 8.253 1.00 0.00 C ATOM 195 OG1 THR A 12 109.580 3.073 8.571 1.00 0.00 O ATOM 196 CG2 THR A 12 108.249 5.007 9.110 1.00 0.00 C ATOM 0 H THR A 12 110.916 4.274 5.882 1.00 0.00 H new ATOM 0 HA THR A 12 108.044 4.150 6.593 1.00 0.00 H new ATOM 0 HB THR A 12 110.303 5.003 8.455 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.809 2.986 9.520 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.506 4.913 10.165 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.095 6.058 8.867 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.334 4.450 8.908 1.00 0.00 H new ATOM 204 N ILE A 13 107.802 6.547 6.109 1.00 0.00 N ATOM 205 CA ILE A 13 107.600 7.941 5.724 1.00 0.00 C ATOM 206 C ILE A 13 106.464 8.544 6.547 1.00 0.00 C ATOM 207 O ILE A 13 105.388 7.951 6.656 1.00 0.00 O ATOM 208 CB ILE A 13 107.275 8.032 4.210 1.00 0.00 C ATOM 209 CG1 ILE A 13 107.008 9.504 3.803 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.044 7.167 3.885 1.00 0.00 C ATOM 211 CD1 ILE A 13 106.843 9.621 2.279 1.00 0.00 C ATOM 0 H ILE A 13 106.942 6.000 6.158 1.00 0.00 H new ATOM 0 HA ILE A 13 108.514 8.503 5.918 1.00 0.00 H new ATOM 0 HB ILE A 13 108.131 7.663 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.109 9.868 4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.833 10.134 4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 13 105.822 7.236 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.249 6.129 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.188 7.523 4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.656 10.661 2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.753 9.278 1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 13 106.002 9.007 1.956 1.00 0.00 H new ATOM 223 N THR A 14 106.704 9.735 7.089 1.00 0.00 N ATOM 224 CA THR A 14 105.680 10.429 7.861 1.00 0.00 C ATOM 225 C THR A 14 104.961 11.390 6.934 1.00 0.00 C ATOM 226 O THR A 14 105.594 12.215 6.267 1.00 0.00 O ATOM 227 CB THR A 14 106.290 11.195 9.029 1.00 0.00 C ATOM 228 OG1 THR A 14 107.150 10.336 9.762 1.00 0.00 O ATOM 229 CG2 THR A 14 105.176 11.701 9.948 1.00 0.00 C ATOM 0 H THR A 14 107.590 10.235 7.009 1.00 0.00 H new ATOM 0 HA THR A 14 104.985 9.699 8.275 1.00 0.00 H new ATOM 0 HB THR A 14 106.859 12.042 8.647 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.614 9.731 10.316 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.614 12.249 10.783 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.514 12.362 9.388 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.606 10.854 10.329 1.00 0.00 H new ATOM 237 N LEU A 15 103.648 11.238 6.858 1.00 0.00 N ATOM 238 CA LEU A 15 102.836 12.050 5.965 1.00 0.00 C ATOM 239 C LEU A 15 101.797 12.858 6.731 1.00 0.00 C ATOM 240 O LEU A 15 101.155 12.353 7.654 1.00 0.00 O ATOM 241 CB LEU A 15 102.144 11.119 4.964 1.00 0.00 C ATOM 242 CG LEU A 15 101.418 11.910 3.867 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.432 12.642 2.973 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.610 10.926 3.020 1.00 0.00 C ATOM 0 H LEU A 15 103.121 10.558 7.406 1.00 0.00 H new ATOM 0 HA LEU A 15 103.480 12.760 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.883 10.459 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.430 10.485 5.489 1.00 0.00 H new ATOM 0 HG LEU A 15 100.762 12.651 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.901 13.198 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.019 13.333 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.096 11.915 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.085 11.468 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.282 10.195 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.885 10.412 3.651 1.00 0.00 H new ATOM 256 N GLU A 16 101.639 14.113 6.317 1.00 0.00 N ATOM 257 CA GLU A 16 100.671 15.011 6.938 1.00 0.00 C ATOM 258 C GLU A 16 99.399 15.050 6.104 1.00 0.00 C ATOM 259 O GLU A 16 99.445 15.309 4.900 1.00 0.00 O ATOM 260 CB GLU A 16 101.251 16.419 7.047 1.00 0.00 C ATOM 261 CG GLU A 16 102.415 16.417 8.048 1.00 0.00 C ATOM 262 CD GLU A 16 103.070 17.805 8.146 1.00 0.00 C ATOM 263 OE1 GLU A 16 102.547 18.755 7.579 1.00 0.00 O ATOM 264 OE2 GLU A 16 104.100 17.895 8.794 1.00 0.00 O ATOM 0 H GLU A 16 102.170 14.531 5.553 1.00 0.00 H new ATOM 0 HA GLU A 16 100.441 14.643 7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 16 101.598 16.758 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 16 100.480 17.118 7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 16 102.052 16.113 9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 16 103.159 15.682 7.742 1.00 0.00 H new ATOM 271 N VAL A 17 98.269 14.776 6.753 1.00 0.00 N ATOM 272 CA VAL A 17 96.975 14.768 6.071 1.00 0.00 C ATOM 273 C VAL A 17 95.880 15.279 7.014 1.00 0.00 C ATOM 274 O VAL A 17 96.180 15.768 8.105 1.00 0.00 O ATOM 275 CB VAL A 17 96.643 13.341 5.581 1.00 0.00 C ATOM 276 CG1 VAL A 17 97.711 12.877 4.587 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.590 12.365 6.769 1.00 0.00 C ATOM 0 H VAL A 17 98.222 14.557 7.748 1.00 0.00 H new ATOM 0 HA VAL A 17 97.026 15.430 5.206 1.00 0.00 H new ATOM 0 HB VAL A 17 95.669 13.356 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.475 11.870 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 17 97.734 13.556 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 17 98.686 12.874 5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.355 11.364 6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.557 12.351 7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 17 95.820 12.687 7.471 1.00 0.00 H new ATOM 287 N GLU A 18 94.619 15.154 6.589 1.00 0.00 N ATOM 288 CA GLU A 18 93.496 15.595 7.404 1.00 0.00 C ATOM 289 C GLU A 18 92.305 14.631 7.241 1.00 0.00 C ATOM 290 O GLU A 18 92.139 14.046 6.170 1.00 0.00 O ATOM 291 CB GLU A 18 93.072 17.010 7.012 1.00 0.00 C ATOM 292 CG GLU A 18 94.113 18.015 7.509 1.00 0.00 C ATOM 293 CD GLU A 18 94.022 18.147 9.024 1.00 0.00 C ATOM 294 OE1 GLU A 18 95.041 17.987 9.677 1.00 0.00 O ATOM 295 OE2 GLU A 18 92.935 18.409 9.512 1.00 0.00 O ATOM 0 H GLU A 18 94.357 14.752 5.689 1.00 0.00 H new ATOM 0 HA GLU A 18 93.812 15.598 8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.970 17.083 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 18 92.096 17.240 7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 18 95.113 17.688 7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 18 93.948 18.985 7.040 1.00 0.00 H new ATOM 302 N PRO A 19 91.473 14.448 8.265 1.00 0.00 N ATOM 303 CA PRO A 19 90.293 13.527 8.179 1.00 0.00 C ATOM 304 C PRO A 19 89.404 13.851 6.979 1.00 0.00 C ATOM 305 O PRO A 19 88.848 12.953 6.342 1.00 0.00 O ATOM 306 CB PRO A 19 89.545 13.764 9.496 1.00 0.00 C ATOM 307 CG PRO A 19 90.576 14.275 10.443 1.00 0.00 C ATOM 308 CD PRO A 19 91.554 15.083 9.603 1.00 0.00 C ATOM 0 HA PRO A 19 90.592 12.488 8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 19 88.737 14.485 9.366 1.00 0.00 H new ATOM 0 HB3 PRO A 19 89.094 12.843 9.864 1.00 0.00 H new ATOM 0 HG2 PRO A 19 90.122 14.894 11.217 1.00 0.00 H new ATOM 0 HG3 PRO A 19 91.083 13.453 10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 19 91.275 16.136 9.565 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.565 15.036 10.008 1.00 0.00 H new ATOM 316 N SER A 20 89.290 15.143 6.682 1.00 0.00 N ATOM 317 CA SER A 20 88.480 15.610 5.555 1.00 0.00 C ATOM 318 C SER A 20 89.138 15.282 4.209 1.00 0.00 C ATOM 319 O SER A 20 88.448 15.185 3.190 1.00 0.00 O ATOM 320 CB SER A 20 88.267 17.120 5.653 1.00 0.00 C ATOM 321 OG SER A 20 89.532 17.770 5.656 1.00 0.00 O ATOM 0 H SER A 20 89.749 15.888 7.206 1.00 0.00 H new ATOM 0 HA SER A 20 87.522 15.092 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 20 87.667 17.470 4.813 1.00 0.00 H new ATOM 0 HB3 SER A 20 87.717 17.364 6.562 1.00 0.00 H new ATOM 0 HG SER A 20 89.402 18.739 5.717 1.00 0.00 H new ATOM 327 N ASP A 21 90.469 15.124 4.210 1.00 0.00 N ATOM 328 CA ASP A 21 91.198 14.823 2.984 1.00 0.00 C ATOM 329 C ASP A 21 90.864 13.424 2.492 1.00 0.00 C ATOM 330 O ASP A 21 90.754 12.485 3.286 1.00 0.00 O ATOM 331 CB ASP A 21 92.709 14.940 3.224 1.00 0.00 C ATOM 332 CG ASP A 21 93.123 16.395 3.477 1.00 0.00 C ATOM 333 OD1 ASP A 21 94.195 16.587 4.030 1.00 0.00 O ATOM 334 OD2 ASP A 21 92.383 17.297 3.107 1.00 0.00 O ATOM 0 H ASP A 21 91.053 15.200 5.043 1.00 0.00 H new ATOM 0 HA ASP A 21 90.899 15.543 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 21 92.992 14.325 4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 21 93.248 14.552 2.360 1.00 0.00 H new ATOM 339 N THR A 22 90.699 13.301 1.178 1.00 0.00 N ATOM 340 CA THR A 22 90.367 12.021 0.567 1.00 0.00 C ATOM 341 C THR A 22 91.630 11.220 0.290 1.00 0.00 C ATOM 342 O THR A 22 92.726 11.778 0.247 1.00 0.00 O ATOM 343 CB THR A 22 89.597 12.251 -0.737 1.00 0.00 C ATOM 344 OG1 THR A 22 90.389 13.030 -1.621 1.00 0.00 O ATOM 345 CG2 THR A 22 88.275 12.975 -0.451 1.00 0.00 C ATOM 0 H THR A 22 90.790 14.073 0.517 1.00 0.00 H new ATOM 0 HA THR A 22 89.742 11.456 1.258 1.00 0.00 H new ATOM 0 HB THR A 22 89.377 11.287 -1.196 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.898 13.177 -2.457 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.737 13.133 -1.386 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.666 12.369 0.220 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.481 13.938 0.016 1.00 0.00 H new ATOM 353 N ILE A 23 91.471 9.907 0.126 1.00 0.00 N ATOM 354 CA ILE A 23 92.611 9.033 -0.122 1.00 0.00 C ATOM 355 C ILE A 23 93.296 9.463 -1.424 1.00 0.00 C ATOM 356 O ILE A 23 94.527 9.521 -1.487 1.00 0.00 O ATOM 357 CB ILE A 23 92.136 7.566 -0.196 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.585 7.113 1.184 1.00 0.00 C ATOM 359 CG2 ILE A 23 93.289 6.632 -0.640 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.655 7.150 2.300 1.00 0.00 C ATOM 0 H ILE A 23 90.570 9.430 0.160 1.00 0.00 H new ATOM 0 HA ILE A 23 93.331 9.112 0.693 1.00 0.00 H new ATOM 0 HB ILE A 23 91.340 7.502 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.751 7.756 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 23 91.192 6.100 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 23 92.928 5.604 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.644 6.935 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 23 94.108 6.699 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 23 92.211 6.823 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 23 93.478 6.486 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 23 93.031 8.167 2.410 1.00 0.00 H new ATOM 372 N GLU A 24 92.492 9.773 -2.449 1.00 0.00 N ATOM 373 CA GLU A 24 93.041 10.210 -3.738 1.00 0.00 C ATOM 374 C GLU A 24 93.982 11.409 -3.539 1.00 0.00 C ATOM 375 O GLU A 24 95.016 11.521 -4.204 1.00 0.00 O ATOM 376 CB GLU A 24 91.902 10.604 -4.690 1.00 0.00 C ATOM 377 CG GLU A 24 92.468 10.879 -6.088 1.00 0.00 C ATOM 378 CD GLU A 24 91.342 11.242 -7.046 1.00 0.00 C ATOM 379 OE1 GLU A 24 90.517 12.059 -6.674 1.00 0.00 O ATOM 380 OE2 GLU A 24 91.325 10.704 -8.141 1.00 0.00 O ATOM 0 H GLU A 24 91.474 9.730 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 24 93.604 9.384 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.162 9.805 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 24 91.391 11.490 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 24 93.193 11.692 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 24 92.998 10.000 -6.454 1.00 0.00 H new ATOM 387 N ASN A 25 93.616 12.279 -2.595 1.00 0.00 N ATOM 388 CA ASN A 25 94.428 13.451 -2.275 1.00 0.00 C ATOM 389 C ASN A 25 95.742 13.029 -1.614 1.00 0.00 C ATOM 390 O ASN A 25 96.794 13.618 -1.873 1.00 0.00 O ATOM 391 CB ASN A 25 93.656 14.404 -1.349 1.00 0.00 C ATOM 392 CG ASN A 25 92.579 15.166 -2.128 1.00 0.00 C ATOM 393 OD1 ASN A 25 92.638 15.273 -3.357 1.00 0.00 O ATOM 394 ND2 ASN A 25 91.587 15.708 -1.476 1.00 0.00 N ATOM 0 H ASN A 25 92.764 12.193 -2.041 1.00 0.00 H new ATOM 0 HA ASN A 25 94.655 13.973 -3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.194 13.838 -0.540 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.347 15.111 -0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.863 16.218 -1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.536 15.621 -0.461 1.00 0.00 H new ATOM 401 N VAL A 26 95.662 12.009 -0.751 1.00 0.00 N ATOM 402 CA VAL A 26 96.836 11.505 -0.033 1.00 0.00 C ATOM 403 C VAL A 26 97.889 11.001 -1.024 1.00 0.00 C ATOM 404 O VAL A 26 99.080 11.275 -0.860 1.00 0.00 O ATOM 405 CB VAL A 26 96.417 10.367 0.925 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.640 9.797 1.665 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.417 10.901 1.958 1.00 0.00 C ATOM 0 H VAL A 26 94.795 11.517 -0.534 1.00 0.00 H new ATOM 0 HA VAL A 26 97.269 12.318 0.550 1.00 0.00 H new ATOM 0 HB VAL A 26 95.958 9.575 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.321 8.998 2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.352 9.402 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 26 98.115 10.588 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 26 95.124 10.095 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.880 11.703 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.535 11.284 1.446 1.00 0.00 H new ATOM 417 N LYS A 27 97.443 10.242 -2.028 1.00 0.00 N ATOM 418 CA LYS A 27 98.370 9.683 -3.016 1.00 0.00 C ATOM 419 C LYS A 27 99.206 10.797 -3.641 1.00 0.00 C ATOM 420 O LYS A 27 100.430 10.683 -3.722 1.00 0.00 O ATOM 421 CB LYS A 27 97.604 8.929 -4.104 1.00 0.00 C ATOM 422 CG LYS A 27 96.967 7.678 -3.496 1.00 0.00 C ATOM 423 CD LYS A 27 96.202 6.915 -4.578 1.00 0.00 C ATOM 424 CE LYS A 27 95.571 5.661 -3.968 1.00 0.00 C ATOM 425 NZ LYS A 27 94.808 4.931 -5.019 1.00 0.00 N ATOM 0 H LYS A 27 96.463 10.003 -2.178 1.00 0.00 H new ATOM 0 HA LYS A 27 99.034 8.982 -2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.835 9.570 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.278 8.651 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.737 7.040 -3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.292 7.958 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.429 7.551 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 27 96.876 6.638 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 27 96.345 5.017 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 27 94.909 5.936 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.378 4.078 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 94.060 5.548 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 95.452 4.657 -5.788 1.00 0.00 H new ATOM 439 N ALA A 28 98.539 11.868 -4.078 1.00 0.00 N ATOM 440 CA ALA A 28 99.238 13.001 -4.694 1.00 0.00 C ATOM 441 C ALA A 28 100.332 13.529 -3.766 1.00 0.00 C ATOM 442 O ALA A 28 101.429 13.863 -4.226 1.00 0.00 O ATOM 443 CB ALA A 28 98.243 14.119 -5.011 1.00 0.00 C ATOM 0 H ALA A 28 97.526 11.976 -4.018 1.00 0.00 H new ATOM 0 HA ALA A 28 99.702 12.658 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.770 14.956 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.485 13.747 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.763 14.451 -4.090 1.00 0.00 H new ATOM 449 N LYS A 29 100.037 13.587 -2.464 1.00 0.00 N ATOM 450 CA LYS A 29 101.018 14.058 -1.486 1.00 0.00 C ATOM 451 C LYS A 29 102.227 13.122 -1.482 1.00 0.00 C ATOM 452 O LYS A 29 103.379 13.570 -1.441 1.00 0.00 O ATOM 453 CB LYS A 29 100.400 14.097 -0.086 1.00 0.00 C ATOM 454 CG LYS A 29 99.311 15.171 -0.026 1.00 0.00 C ATOM 455 CD LYS A 29 98.695 15.191 1.374 1.00 0.00 C ATOM 456 CE LYS A 29 97.601 16.257 1.441 1.00 0.00 C ATOM 457 NZ LYS A 29 96.999 16.269 2.804 1.00 0.00 N ATOM 0 H LYS A 29 99.137 13.317 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 29 101.332 15.065 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 29 99.977 13.123 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.171 14.307 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.734 16.147 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.542 14.967 -0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.278 14.213 1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.465 15.399 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 29 98.019 17.237 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 29 96.833 16.052 0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.189 16.921 2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.677 15.311 3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 97.710 16.583 3.495 1.00 0.00 H new ATOM 471 N ILE A 30 101.944 11.816 -1.534 1.00 0.00 N ATOM 472 CA ILE A 30 102.997 10.807 -1.545 1.00 0.00 C ATOM 473 C ILE A 30 103.838 10.965 -2.811 1.00 0.00 C ATOM 474 O ILE A 30 105.057 10.876 -2.753 1.00 0.00 O ATOM 475 CB ILE A 30 102.378 9.393 -1.481 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.679 9.221 -0.124 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.481 8.319 -1.619 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.797 7.968 -0.140 1.00 0.00 C ATOM 0 H ILE A 30 100.997 11.439 -1.569 1.00 0.00 H new ATOM 0 HA ILE A 30 103.637 10.941 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 30 101.664 9.276 -2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.422 9.142 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 30 101.072 10.099 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 30 103.031 7.327 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 30 103.991 8.442 -2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.200 8.430 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.306 7.856 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 30 100.042 8.064 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.414 7.091 -0.338 1.00 0.00 H new ATOM 490 N GLN A 31 103.174 11.189 -3.953 1.00 0.00 N ATOM 491 CA GLN A 31 103.873 11.343 -5.234 1.00 0.00 C ATOM 492 C GLN A 31 105.052 12.307 -5.096 1.00 0.00 C ATOM 493 O GLN A 31 106.125 12.065 -5.646 1.00 0.00 O ATOM 494 CB GLN A 31 102.888 11.866 -6.301 1.00 0.00 C ATOM 495 CG GLN A 31 103.588 12.050 -7.659 1.00 0.00 C ATOM 496 CD GLN A 31 104.027 10.702 -8.211 1.00 0.00 C ATOM 497 OE1 GLN A 31 103.191 9.836 -8.458 1.00 0.00 O ATOM 498 NE2 GLN A 31 105.298 10.474 -8.416 1.00 0.00 N ATOM 0 H GLN A 31 102.159 11.267 -4.015 1.00 0.00 H new ATOM 0 HA GLN A 31 104.259 10.371 -5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 31 102.058 11.167 -6.408 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.465 12.816 -5.975 1.00 0.00 H new ATOM 0 HG2 GLN A 31 102.912 12.536 -8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 31 104.453 12.704 -7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 31 105.986 11.198 -8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 31 105.602 9.572 -8.783 1.00 0.00 H new ATOM 507 N ASP A 32 104.831 13.401 -4.380 1.00 0.00 N ATOM 508 CA ASP A 32 105.874 14.408 -4.193 1.00 0.00 C ATOM 509 C ASP A 32 107.036 13.891 -3.335 1.00 0.00 C ATOM 510 O ASP A 32 108.188 14.272 -3.560 1.00 0.00 O ATOM 511 CB ASP A 32 105.279 15.653 -3.547 1.00 0.00 C ATOM 512 CG ASP A 32 106.248 16.822 -3.689 1.00 0.00 C ATOM 513 OD1 ASP A 32 106.524 17.203 -4.814 1.00 0.00 O ATOM 514 OD2 ASP A 32 106.702 17.318 -2.670 1.00 0.00 O ATOM 0 H ASP A 32 103.946 13.616 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 32 106.273 14.648 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 32 104.327 15.899 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 32 105.074 15.464 -2.493 1.00 0.00 H new ATOM 519 N LYS A 33 106.726 13.057 -2.334 1.00 0.00 N ATOM 520 CA LYS A 33 107.759 12.530 -1.421 1.00 0.00 C ATOM 521 C LYS A 33 108.472 11.269 -1.927 1.00 0.00 C ATOM 522 O LYS A 33 109.685 11.137 -1.744 1.00 0.00 O ATOM 523 CB LYS A 33 107.147 12.219 -0.060 1.00 0.00 C ATOM 524 CG LYS A 33 106.760 13.520 0.638 1.00 0.00 C ATOM 525 CD LYS A 33 106.151 13.207 2.002 1.00 0.00 C ATOM 526 CE LYS A 33 105.763 14.514 2.694 1.00 0.00 C ATOM 527 NZ LYS A 33 105.179 14.217 4.032 1.00 0.00 N ATOM 0 H LYS A 33 105.780 12.733 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 33 108.509 13.318 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.269 11.585 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 33 107.859 11.664 0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.637 14.156 0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 33 106.046 14.073 0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.274 12.570 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 33 106.865 12.656 2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 33 106.639 15.154 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 33 105.043 15.060 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 104.294 14.751 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 104.982 13.199 4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 105.853 14.494 4.774 1.00 0.00 H new ATOM 541 N GLU A 34 107.724 10.342 -2.522 1.00 0.00 N ATOM 542 CA GLU A 34 108.299 9.087 -3.009 1.00 0.00 C ATOM 543 C GLU A 34 108.499 9.084 -4.526 1.00 0.00 C ATOM 544 O GLU A 34 109.212 8.223 -5.045 1.00 0.00 O ATOM 545 CB GLU A 34 107.367 7.938 -2.638 1.00 0.00 C ATOM 546 CG GLU A 34 107.340 7.760 -1.112 1.00 0.00 C ATOM 547 CD GLU A 34 106.330 6.682 -0.682 1.00 0.00 C ATOM 548 OE1 GLU A 34 105.709 6.066 -1.539 1.00 0.00 O ATOM 549 OE2 GLU A 34 106.190 6.488 0.518 1.00 0.00 O ATOM 0 H GLU A 34 106.720 10.435 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 34 109.278 8.973 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.362 8.140 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 34 107.703 7.017 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 34 108.335 7.487 -0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 34 107.083 8.708 -0.640 1.00 0.00 H new ATOM 556 N GLY A 35 107.888 10.041 -5.234 1.00 0.00 N ATOM 557 CA GLY A 35 108.030 10.116 -6.690 1.00 0.00 C ATOM 558 C GLY A 35 107.464 8.877 -7.383 1.00 0.00 C ATOM 559 O GLY A 35 107.858 8.575 -8.513 1.00 0.00 O ATOM 0 H GLY A 35 107.297 10.766 -4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 35 107.518 11.004 -7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.084 10.226 -6.947 1.00 0.00 H new ATOM 563 N ILE A 36 106.555 8.152 -6.710 1.00 0.00 N ATOM 564 CA ILE A 36 105.976 6.939 -7.302 1.00 0.00 C ATOM 565 C ILE A 36 104.538 7.208 -7.805 1.00 0.00 C ATOM 566 O ILE A 36 103.753 7.832 -7.088 1.00 0.00 O ATOM 567 CB ILE A 36 105.973 5.778 -6.287 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.410 5.514 -5.807 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.426 4.505 -6.961 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.388 4.657 -4.540 1.00 0.00 C ATOM 0 H ILE A 36 106.212 8.379 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 36 106.596 6.654 -8.152 1.00 0.00 H new ATOM 0 HB ILE A 36 105.343 6.043 -5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.976 5.008 -6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 36 107.915 6.459 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.424 3.685 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 36 104.409 4.686 -7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 36 106.058 4.243 -7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.410 4.474 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 36 106.838 5.179 -3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.900 3.706 -4.753 1.00 0.00 H new ATOM 582 N PRO A 37 104.170 6.750 -9.010 1.00 0.00 N ATOM 583 CA PRO A 37 102.794 6.972 -9.562 1.00 0.00 C ATOM 584 C PRO A 37 101.682 6.410 -8.645 1.00 0.00 C ATOM 585 O PRO A 37 101.845 5.314 -8.102 1.00 0.00 O ATOM 586 CB PRO A 37 102.798 6.234 -10.906 1.00 0.00 C ATOM 587 CG PRO A 37 104.229 6.091 -11.280 1.00 0.00 C ATOM 588 CD PRO A 37 105.003 5.986 -9.975 1.00 0.00 C ATOM 0 HA PRO A 37 102.578 8.036 -9.653 1.00 0.00 H new ATOM 0 HB2 PRO A 37 102.316 5.260 -10.820 1.00 0.00 H new ATOM 0 HB3 PRO A 37 102.249 6.795 -11.663 1.00 0.00 H new ATOM 0 HG2 PRO A 37 104.383 5.205 -11.896 1.00 0.00 H new ATOM 0 HG3 PRO A 37 104.566 6.948 -11.864 1.00 0.00 H new ATOM 0 HD2 PRO A 37 105.126 4.948 -9.664 1.00 0.00 H new ATOM 0 HD3 PRO A 37 106.002 6.412 -10.067 1.00 0.00 H new ATOM 596 N PRO A 38 100.562 7.117 -8.460 1.00 0.00 N ATOM 597 CA PRO A 38 99.439 6.631 -7.587 1.00 0.00 C ATOM 598 C PRO A 38 98.912 5.259 -8.020 1.00 0.00 C ATOM 599 O PRO A 38 98.553 4.428 -7.181 1.00 0.00 O ATOM 600 CB PRO A 38 98.348 7.698 -7.752 1.00 0.00 C ATOM 601 CG PRO A 38 99.053 8.921 -8.224 1.00 0.00 C ATOM 602 CD PRO A 38 100.231 8.440 -9.048 1.00 0.00 C ATOM 0 HA PRO A 38 99.766 6.500 -6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.593 7.379 -8.470 1.00 0.00 H new ATOM 0 HB3 PRO A 38 97.833 7.882 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 38 98.390 9.546 -8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 38 99.389 9.526 -7.382 1.00 0.00 H new ATOM 0 HD2 PRO A 38 99.972 8.355 -10.103 1.00 0.00 H new ATOM 0 HD3 PRO A 38 101.073 9.129 -8.981 1.00 0.00 H new ATOM 610 N ASP A 39 98.858 5.050 -9.336 1.00 0.00 N ATOM 611 CA ASP A 39 98.358 3.792 -9.902 1.00 0.00 C ATOM 612 C ASP A 39 99.236 2.612 -9.499 1.00 0.00 C ATOM 613 O ASP A 39 98.729 1.518 -9.240 1.00 0.00 O ATOM 614 CB ASP A 39 98.311 3.880 -11.430 1.00 0.00 C ATOM 615 CG ASP A 39 99.685 4.256 -11.982 1.00 0.00 C ATOM 616 OD1 ASP A 39 100.212 3.491 -12.773 1.00 0.00 O ATOM 617 OD2 ASP A 39 100.182 5.306 -11.611 1.00 0.00 O ATOM 0 H ASP A 39 99.154 5.735 -10.032 1.00 0.00 H new ATOM 0 HA ASP A 39 97.354 3.632 -9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 39 97.993 2.924 -11.846 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.573 4.622 -11.736 1.00 0.00 H new ATOM 622 N GLN A 40 100.551 2.838 -9.460 1.00 0.00 N ATOM 623 CA GLN A 40 101.495 1.774 -9.100 1.00 0.00 C ATOM 624 C GLN A 40 101.519 1.523 -7.581 1.00 0.00 C ATOM 625 O GLN A 40 102.184 0.595 -7.123 1.00 0.00 O ATOM 626 CB GLN A 40 102.908 2.140 -9.579 1.00 0.00 C ATOM 627 CG GLN A 40 103.780 0.879 -9.657 1.00 0.00 C ATOM 628 CD GLN A 40 105.185 1.228 -10.124 1.00 0.00 C ATOM 629 OE1 GLN A 40 105.767 2.212 -9.669 1.00 0.00 O ATOM 630 NE2 GLN A 40 105.770 0.470 -11.010 1.00 0.00 N ATOM 0 H GLN A 40 100.984 3.737 -9.670 1.00 0.00 H new ATOM 0 HA GLN A 40 101.161 0.860 -9.591 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.857 2.618 -10.557 1.00 0.00 H new ATOM 0 HB3 GLN A 40 103.357 2.861 -8.896 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.825 0.400 -8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 40 103.331 0.161 -10.343 1.00 0.00 H new ATOM 0 HE21 GLN A 40 105.284 -0.345 -11.385 1.00 0.00 H new ATOM 0 HE22 GLN A 40 106.713 0.692 -11.328 1.00 0.00 H new ATOM 639 N GLN A 41 100.799 2.350 -6.808 1.00 0.00 N ATOM 640 CA GLN A 41 100.765 2.199 -5.351 1.00 0.00 C ATOM 641 C GLN A 41 99.349 1.957 -4.850 1.00 0.00 C ATOM 642 O GLN A 41 98.422 2.695 -5.194 1.00 0.00 O ATOM 643 CB GLN A 41 101.326 3.452 -4.688 1.00 0.00 C ATOM 644 CG GLN A 41 102.817 3.565 -4.999 1.00 0.00 C ATOM 645 CD GLN A 41 103.373 4.853 -4.406 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.877 5.940 -4.704 1.00 0.00 O ATOM 647 NE2 GLN A 41 104.386 4.797 -3.585 1.00 0.00 N ATOM 0 H GLN A 41 100.238 3.123 -7.166 1.00 0.00 H new ATOM 0 HA GLN A 41 101.375 1.334 -5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.800 4.335 -5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 41 101.170 3.407 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 41 103.349 2.706 -4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.975 3.553 -6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.795 3.895 -3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.769 5.655 -3.188 1.00 0.00 H new ATOM 656 N ARG A 42 99.206 0.927 -4.019 1.00 0.00 N ATOM 657 CA ARG A 42 97.915 0.580 -3.435 1.00 0.00 C ATOM 658 C ARG A 42 98.037 0.566 -1.920 1.00 0.00 C ATOM 659 O ARG A 42 98.903 -0.121 -1.373 1.00 0.00 O ATOM 660 CB ARG A 42 97.470 -0.801 -3.920 1.00 0.00 C ATOM 661 CG ARG A 42 97.215 -0.757 -5.425 1.00 0.00 C ATOM 662 CD ARG A 42 96.724 -2.124 -5.900 1.00 0.00 C ATOM 663 NE ARG A 42 96.467 -2.087 -7.344 1.00 0.00 N ATOM 664 CZ ARG A 42 95.267 -1.772 -7.868 1.00 0.00 C ATOM 665 NH1 ARG A 42 94.235 -1.468 -7.111 1.00 0.00 N ATOM 666 NH2 ARG A 42 95.126 -1.765 -9.165 1.00 0.00 N ATOM 0 H ARG A 42 99.972 0.317 -3.735 1.00 0.00 H new ATOM 0 HA ARG A 42 97.175 1.319 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.236 -1.542 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.565 -1.107 -3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.474 0.008 -5.657 1.00 0.00 H new ATOM 0 HG3 ARG A 42 98.130 -0.484 -5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 42 97.469 -2.887 -5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 42 95.814 -2.399 -5.367 1.00 0.00 H new ATOM 0 HE ARG A 42 97.232 -2.310 -7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 42 94.330 -1.466 -6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 42 93.339 -1.234 -7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 42 95.918 -1.996 -9.765 1.00 0.00 H new ATOM 0 HH22 ARG A 42 94.224 -1.529 -9.579 1.00 0.00 H new ATOM 680 N LEU A 43 97.185 1.342 -1.251 1.00 0.00 N ATOM 681 CA LEU A 43 97.220 1.436 0.204 1.00 0.00 C ATOM 682 C LEU A 43 96.215 0.493 0.850 1.00 0.00 C ATOM 683 O LEU A 43 95.081 0.358 0.383 1.00 0.00 O ATOM 684 CB LEU A 43 96.902 2.875 0.634 1.00 0.00 C ATOM 685 CG LEU A 43 98.146 3.766 0.475 1.00 0.00 C ATOM 686 CD1 LEU A 43 97.729 5.237 0.464 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.096 3.526 1.654 1.00 0.00 C ATOM 0 H LEU A 43 96.465 1.912 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 43 98.220 1.152 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 43 96.084 3.270 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 43 96.568 2.887 1.671 1.00 0.00 H new ATOM 0 HG LEU A 43 98.646 3.521 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.613 5.865 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 43 97.048 5.416 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.228 5.480 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 43 99.979 4.156 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 43 98.588 3.772 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.398 2.479 1.671 1.00 0.00 H new ATOM 699 N ILE A 44 96.640 -0.132 1.946 1.00 0.00 N ATOM 700 CA ILE A 44 95.780 -1.039 2.697 1.00 0.00 C ATOM 701 C ILE A 44 95.844 -0.686 4.175 1.00 0.00 C ATOM 702 O ILE A 44 96.908 -0.364 4.707 1.00 0.00 O ATOM 703 CB ILE A 44 96.170 -2.514 2.470 1.00 0.00 C ATOM 704 CG1 ILE A 44 95.980 -2.840 0.976 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.276 -3.446 3.328 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.452 -4.264 0.672 1.00 0.00 C ATOM 0 H ILE A 44 97.578 -0.025 2.333 1.00 0.00 H new ATOM 0 HA ILE A 44 94.757 -0.921 2.339 1.00 0.00 H new ATOM 0 HB ILE A 44 97.208 -2.670 2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 44 94.929 -2.734 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.539 -2.128 0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.563 -4.484 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.404 -3.203 4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.232 -3.308 3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.310 -4.476 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.509 -4.358 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 44 95.874 -4.973 1.264 1.00 0.00 H new ATOM 718 N PHE A 45 94.685 -0.756 4.812 1.00 0.00 N ATOM 719 CA PHE A 45 94.572 -0.453 6.231 1.00 0.00 C ATOM 720 C PHE A 45 93.631 -1.445 6.909 1.00 0.00 C ATOM 721 O PHE A 45 92.458 -1.548 6.549 1.00 0.00 O ATOM 722 CB PHE A 45 94.050 0.975 6.415 1.00 0.00 C ATOM 723 CG PHE A 45 94.038 1.344 7.888 1.00 0.00 C ATOM 724 CD1 PHE A 45 95.246 1.535 8.572 1.00 0.00 C ATOM 725 CD2 PHE A 45 92.821 1.494 8.566 1.00 0.00 C ATOM 726 CE1 PHE A 45 95.235 1.874 9.930 1.00 0.00 C ATOM 727 CE2 PHE A 45 92.811 1.832 9.923 1.00 0.00 C ATOM 728 CZ PHE A 45 94.019 2.023 10.605 1.00 0.00 C ATOM 0 H PHE A 45 93.806 -1.021 4.367 1.00 0.00 H new ATOM 0 HA PHE A 45 95.557 -0.536 6.691 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.679 1.674 5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 45 93.044 1.058 6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 45 96.185 1.421 8.051 1.00 0.00 H new ATOM 0 HD2 PHE A 45 91.889 1.348 8.040 1.00 0.00 H new ATOM 0 HE1 PHE A 45 96.166 2.021 10.457 1.00 0.00 H new ATOM 0 HE2 PHE A 45 91.872 1.946 10.445 1.00 0.00 H new ATOM 0 HZ PHE A 45 94.012 2.285 11.653 1.00 0.00 H new ATOM 738 N ALA A 46 94.165 -2.167 7.894 1.00 0.00 N ATOM 739 CA ALA A 46 93.390 -3.165 8.651 1.00 0.00 C ATOM 740 C ALA A 46 93.041 -4.390 7.791 1.00 0.00 C ATOM 741 O ALA A 46 92.076 -5.104 8.078 1.00 0.00 O ATOM 742 CB ALA A 46 92.098 -2.534 9.205 1.00 0.00 C ATOM 0 H ALA A 46 95.137 -2.082 8.192 1.00 0.00 H new ATOM 0 HA ALA A 46 94.015 -3.501 9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 46 91.536 -3.284 9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 46 92.352 -1.706 9.867 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.490 -2.165 8.379 1.00 0.00 H new ATOM 748 N GLY A 47 93.846 -4.639 6.752 1.00 0.00 N ATOM 749 CA GLY A 47 93.633 -5.792 5.873 1.00 0.00 C ATOM 750 C GLY A 47 92.630 -5.513 4.745 1.00 0.00 C ATOM 751 O GLY A 47 92.178 -6.447 4.077 1.00 0.00 O ATOM 0 H GLY A 47 94.647 -4.060 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.587 -6.090 5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.277 -6.633 6.467 1.00 0.00 H new ATOM 755 N LYS A 48 92.296 -4.237 4.529 1.00 0.00 N ATOM 756 CA LYS A 48 91.352 -3.859 3.468 1.00 0.00 C ATOM 757 C LYS A 48 91.891 -2.672 2.677 1.00 0.00 C ATOM 758 O LYS A 48 92.612 -1.835 3.222 1.00 0.00 O ATOM 759 CB LYS A 48 89.973 -3.510 4.059 1.00 0.00 C ATOM 760 CG LYS A 48 90.109 -2.404 5.114 1.00 0.00 C ATOM 761 CD LYS A 48 88.722 -1.938 5.560 1.00 0.00 C ATOM 762 CE LYS A 48 88.870 -0.872 6.649 1.00 0.00 C ATOM 763 NZ LYS A 48 89.546 0.333 6.085 1.00 0.00 N ATOM 0 H LYS A 48 92.661 -3.452 5.069 1.00 0.00 H new ATOM 0 HA LYS A 48 91.237 -4.712 2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 48 89.302 -3.184 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.527 -4.397 4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 48 90.671 -2.774 5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.670 -1.564 4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 48 88.172 -1.532 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.147 -2.783 5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 48 87.890 -0.601 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 48 89.449 -1.268 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 89.407 1.141 6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 90.564 0.144 5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 89.139 0.555 5.154 1.00 0.00 H new ATOM 777 N GLN A 49 91.526 -2.601 1.395 1.00 0.00 N ATOM 778 CA GLN A 49 91.969 -1.509 0.534 1.00 0.00 C ATOM 779 C GLN A 49 91.190 -0.237 0.827 1.00 0.00 C ATOM 780 O GLN A 49 90.061 -0.284 1.326 1.00 0.00 O ATOM 781 CB GLN A 49 91.785 -1.886 -0.938 1.00 0.00 C ATOM 782 CG GLN A 49 92.846 -2.907 -1.345 1.00 0.00 C ATOM 783 CD GLN A 49 92.623 -3.339 -2.789 1.00 0.00 C ATOM 784 OE1 GLN A 49 91.506 -3.688 -3.169 1.00 0.00 O ATOM 785 NE2 GLN A 49 93.626 -3.329 -3.623 1.00 0.00 N ATOM 0 H GLN A 49 90.927 -3.286 0.934 1.00 0.00 H new ATOM 0 HA GLN A 49 93.025 -1.331 0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 49 90.789 -2.300 -1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 49 91.863 -0.997 -1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 49 93.840 -2.474 -1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 49 92.801 -3.774 -0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 49 94.551 -3.039 -3.305 1.00 0.00 H new ATOM 0 HE22 GLN A 49 93.485 -3.611 -4.593 1.00 0.00 H new ATOM 794 N LEU A 50 91.813 0.897 0.510 1.00 0.00 N ATOM 795 CA LEU A 50 91.194 2.197 0.728 1.00 0.00 C ATOM 796 C LEU A 50 90.664 2.760 -0.587 1.00 0.00 C ATOM 797 O LEU A 50 91.406 2.895 -1.563 1.00 0.00 O ATOM 798 CB LEU A 50 92.219 3.162 1.328 1.00 0.00 C ATOM 799 CG LEU A 50 92.619 2.692 2.734 1.00 0.00 C ATOM 800 CD1 LEU A 50 93.875 3.442 3.183 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.486 2.980 3.726 1.00 0.00 C ATOM 0 H LEU A 50 92.747 0.938 0.101 1.00 0.00 H new ATOM 0 HA LEU A 50 90.360 2.078 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.100 3.214 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 50 91.800 4.167 1.377 1.00 0.00 H new ATOM 0 HG LEU A 50 92.814 1.620 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.160 3.109 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 50 94.689 3.239 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.672 4.513 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 50 91.779 2.643 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.287 4.051 3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 50 90.586 2.450 3.414 1.00 0.00 H new ATOM 813 N GLU A 51 89.372 3.069 -0.593 1.00 0.00 N ATOM 814 CA GLU A 51 88.712 3.609 -1.778 1.00 0.00 C ATOM 815 C GLU A 51 89.074 5.079 -1.972 1.00 0.00 C ATOM 816 O GLU A 51 88.866 5.903 -1.077 1.00 0.00 O ATOM 817 CB GLU A 51 87.195 3.455 -1.634 1.00 0.00 C ATOM 818 CG GLU A 51 86.514 3.731 -2.982 1.00 0.00 C ATOM 819 CD GLU A 51 85.010 3.437 -2.925 1.00 0.00 C ATOM 820 OE1 GLU A 51 84.426 3.303 -3.986 1.00 0.00 O ATOM 821 OE2 GLU A 51 84.461 3.362 -1.835 1.00 0.00 O ATOM 0 H GLU A 51 88.758 2.954 0.213 1.00 0.00 H new ATOM 0 HA GLU A 51 89.051 3.055 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 51 86.953 2.448 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 51 86.820 4.146 -0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 51 86.671 4.772 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 51 86.976 3.118 -3.756 1.00 0.00 H new ATOM 828 N ASP A 52 89.630 5.382 -3.142 1.00 0.00 N ATOM 829 CA ASP A 52 90.051 6.745 -3.472 1.00 0.00 C ATOM 830 C ASP A 52 88.893 7.740 -3.339 1.00 0.00 C ATOM 831 O ASP A 52 89.115 8.909 -3.009 1.00 0.00 O ATOM 832 CB ASP A 52 90.597 6.788 -4.898 1.00 0.00 C ATOM 833 CG ASP A 52 89.543 6.302 -5.887 1.00 0.00 C ATOM 834 OD1 ASP A 52 89.265 7.032 -6.823 1.00 0.00 O ATOM 835 OD2 ASP A 52 89.040 5.207 -5.701 1.00 0.00 O ATOM 0 H ASP A 52 89.801 4.701 -3.882 1.00 0.00 H new ATOM 0 HA ASP A 52 90.830 7.033 -2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 52 90.898 7.805 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 52 91.488 6.165 -4.972 1.00 0.00 H new ATOM 840 N GLY A 53 87.671 7.268 -3.607 1.00 0.00 N ATOM 841 CA GLY A 53 86.475 8.116 -3.529 1.00 0.00 C ATOM 842 C GLY A 53 85.950 8.276 -2.094 1.00 0.00 C ATOM 843 O GLY A 53 84.872 8.840 -1.892 1.00 0.00 O ATOM 0 H GLY A 53 87.483 6.303 -3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.706 9.100 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.690 7.687 -4.152 1.00 0.00 H new ATOM 847 N ARG A 54 86.710 7.791 -1.105 1.00 0.00 N ATOM 848 CA ARG A 54 86.303 7.899 0.298 1.00 0.00 C ATOM 849 C ARG A 54 87.295 8.747 1.083 1.00 0.00 C ATOM 850 O ARG A 54 88.437 8.935 0.657 1.00 0.00 O ATOM 851 CB ARG A 54 86.193 6.510 0.929 1.00 0.00 C ATOM 852 CG ARG A 54 84.936 5.807 0.408 1.00 0.00 C ATOM 853 CD ARG A 54 84.805 4.431 1.063 1.00 0.00 C ATOM 854 NE ARG A 54 83.566 3.783 0.620 1.00 0.00 N ATOM 855 CZ ARG A 54 82.377 4.004 1.212 1.00 0.00 C ATOM 856 NH1 ARG A 54 82.256 4.827 2.233 1.00 0.00 N ATOM 857 NH2 ARG A 54 81.316 3.393 0.761 1.00 0.00 N ATOM 0 H ARG A 54 87.605 7.323 -1.250 1.00 0.00 H new ATOM 0 HA ARG A 54 85.327 8.383 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.078 5.920 0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.151 6.595 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.054 6.409 0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.990 5.701 -0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.663 3.811 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.804 4.534 2.148 1.00 0.00 H new ATOM 0 HE ARG A 54 83.607 3.138 -0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 54 83.075 5.316 2.594 1.00 0.00 H new ATOM 0 HH12 ARG A 54 81.343 4.976 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 54 81.393 2.756 -0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 54 80.410 3.552 1.201 1.00 0.00 H new ATOM 871 N THR A 55 86.841 9.261 2.229 1.00 0.00 N ATOM 872 CA THR A 55 87.683 10.099 3.079 1.00 0.00 C ATOM 873 C THR A 55 88.265 9.305 4.244 1.00 0.00 C ATOM 874 O THR A 55 87.771 8.229 4.588 1.00 0.00 O ATOM 875 CB THR A 55 86.879 11.284 3.614 1.00 0.00 C ATOM 876 OG1 THR A 55 85.667 10.812 4.184 1.00 0.00 O ATOM 877 CG2 THR A 55 86.568 12.252 2.472 1.00 0.00 C ATOM 0 H THR A 55 85.898 9.111 2.587 1.00 0.00 H new ATOM 0 HA THR A 55 88.509 10.465 2.469 1.00 0.00 H new ATOM 0 HB THR A 55 87.460 11.804 4.376 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.151 11.570 4.529 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.995 13.096 2.856 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.500 12.614 2.038 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.987 11.737 1.707 1.00 0.00 H new ATOM 885 N LEU A 56 89.338 9.848 4.821 1.00 0.00 N ATOM 886 CA LEU A 56 90.032 9.198 5.929 1.00 0.00 C ATOM 887 C LEU A 56 89.109 9.034 7.135 1.00 0.00 C ATOM 888 O LEU A 56 89.107 7.980 7.777 1.00 0.00 O ATOM 889 CB LEU A 56 91.256 10.030 6.332 1.00 0.00 C ATOM 890 CG LEU A 56 92.295 10.011 5.200 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.355 11.077 5.466 1.00 0.00 C ATOM 892 CD2 LEU A 56 92.976 8.638 5.133 1.00 0.00 C ATOM 0 H LEU A 56 89.745 10.739 4.537 1.00 0.00 H new ATOM 0 HA LEU A 56 90.349 8.208 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 56 90.956 11.056 6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.694 9.630 7.246 1.00 0.00 H new ATOM 0 HG LEU A 56 91.791 10.212 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.093 11.065 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 56 92.882 12.058 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.848 10.871 6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.710 8.635 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.475 8.433 6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.227 7.869 4.944 1.00 0.00 H new ATOM 904 N SER A 57 88.329 10.075 7.432 1.00 0.00 N ATOM 905 CA SER A 57 87.395 10.031 8.565 1.00 0.00 C ATOM 906 C SER A 57 86.402 8.874 8.406 1.00 0.00 C ATOM 907 O SER A 57 85.948 8.300 9.398 1.00 0.00 O ATOM 908 CB SER A 57 86.626 11.351 8.666 1.00 0.00 C ATOM 909 OG SER A 57 85.828 11.520 7.502 1.00 0.00 O ATOM 0 H SER A 57 88.323 10.952 6.911 1.00 0.00 H new ATOM 0 HA SER A 57 87.974 9.876 9.476 1.00 0.00 H new ATOM 0 HB2 SER A 57 85.996 11.351 9.556 1.00 0.00 H new ATOM 0 HB3 SER A 57 87.322 12.184 8.768 1.00 0.00 H new ATOM 0 HG SER A 57 85.333 12.364 7.564 1.00 0.00 H new ATOM 915 N ASP A 58 86.082 8.546 7.152 1.00 0.00 N ATOM 916 CA ASP A 58 85.150 7.456 6.849 1.00 0.00 C ATOM 917 C ASP A 58 85.733 6.093 7.239 1.00 0.00 C ATOM 918 O ASP A 58 84.983 5.134 7.448 1.00 0.00 O ATOM 919 CB ASP A 58 84.822 7.458 5.356 1.00 0.00 C ATOM 920 CG ASP A 58 83.592 6.599 5.095 1.00 0.00 C ATOM 921 OD1 ASP A 58 82.541 6.939 5.609 1.00 0.00 O ATOM 922 OD2 ASP A 58 83.720 5.618 4.383 1.00 0.00 O ATOM 0 H ASP A 58 86.455 9.020 6.329 1.00 0.00 H new ATOM 0 HA ASP A 58 84.244 7.619 7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 58 84.643 8.478 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 58 85.670 7.076 4.788 1.00 0.00 H new ATOM 927 N TYR A 59 87.067 6.005 7.327 1.00 0.00 N ATOM 928 CA TYR A 59 87.730 4.747 7.684 1.00 0.00 C ATOM 929 C TYR A 59 88.044 4.655 9.183 1.00 0.00 C ATOM 930 O TYR A 59 88.760 3.740 9.600 1.00 0.00 O ATOM 931 CB TYR A 59 89.032 4.595 6.898 1.00 0.00 C ATOM 932 CG TYR A 59 88.717 4.421 5.432 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.795 5.515 4.562 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.347 3.161 4.942 1.00 0.00 C ATOM 935 CE1 TYR A 59 88.504 5.350 3.204 1.00 0.00 C ATOM 936 CE2 TYR A 59 88.057 2.998 3.585 1.00 0.00 C ATOM 937 CZ TYR A 59 88.135 4.090 2.716 1.00 0.00 C ATOM 938 OH TYR A 59 87.844 3.925 1.383 1.00 0.00 O ATOM 0 H TYR A 59 87.703 6.784 7.157 1.00 0.00 H new ATOM 0 HA TYR A 59 87.036 3.945 7.432 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.662 5.472 7.044 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.593 3.735 7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 59 89.080 6.486 4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.286 2.317 5.613 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.564 6.193 2.532 1.00 0.00 H new ATOM 0 HE2 TYR A 59 87.772 2.027 3.207 1.00 0.00 H new ATOM 0 HH TYR A 59 87.380 3.072 1.253 1.00 0.00 H new ATOM 948 N ASN A 60 87.523 5.592 9.990 1.00 0.00 N ATOM 949 CA ASN A 60 87.776 5.581 11.435 1.00 0.00 C ATOM 950 C ASN A 60 89.280 5.630 11.720 1.00 0.00 C ATOM 951 O ASN A 60 89.774 4.993 12.659 1.00 0.00 O ATOM 952 CB ASN A 60 87.143 4.332 12.065 1.00 0.00 C ATOM 953 CG ASN A 60 85.624 4.462 12.063 1.00 0.00 C ATOM 954 OD1 ASN A 60 85.091 5.533 12.356 1.00 0.00 O ATOM 955 ND2 ASN A 60 84.889 3.432 11.744 1.00 0.00 N ATOM 0 H ASN A 60 86.931 6.358 9.669 1.00 0.00 H new ATOM 0 HA ASN A 60 87.322 6.466 11.880 1.00 0.00 H new ATOM 0 HB2 ASN A 60 87.441 3.443 11.509 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.504 4.206 13.086 1.00 0.00 H new ATOM 0 HD21 ASN A 60 83.872 3.514 11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.331 2.545 11.501 1.00 0.00 H new ATOM 962 N ILE A 61 90.003 6.404 10.903 1.00 0.00 N ATOM 963 CA ILE A 61 91.450 6.550 11.067 1.00 0.00 C ATOM 964 C ILE A 61 91.723 7.758 11.961 1.00 0.00 C ATOM 965 O ILE A 61 91.242 8.859 11.685 1.00 0.00 O ATOM 966 CB ILE A 61 92.136 6.734 9.696 1.00 0.00 C ATOM 967 CG1 ILE A 61 91.829 5.520 8.799 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.660 6.844 9.889 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.218 5.827 7.346 1.00 0.00 C ATOM 0 H ILE A 61 89.611 6.936 10.126 1.00 0.00 H new ATOM 0 HA ILE A 61 91.856 5.650 11.528 1.00 0.00 H new ATOM 0 HB ILE A 61 91.760 7.643 9.227 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.377 4.648 9.154 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.768 5.275 8.856 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.141 6.974 8.920 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.885 7.701 10.524 1.00 0.00 H new ATOM 0 HG23 ILE A 61 94.034 5.935 10.361 1.00 0.00 H new ATOM 0 HD11 ILE A 61 91.997 4.963 6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.650 6.687 6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.284 6.050 7.294 1.00 0.00 H new ATOM 981 N GLN A 62 92.479 7.534 13.035 1.00 0.00 N ATOM 982 CA GLN A 62 92.800 8.600 13.979 1.00 0.00 C ATOM 983 C GLN A 62 94.185 9.185 13.707 1.00 0.00 C ATOM 984 O GLN A 62 94.847 8.807 12.737 1.00 0.00 O ATOM 985 CB GLN A 62 92.724 8.062 15.414 1.00 0.00 C ATOM 986 CG GLN A 62 91.265 7.770 15.775 1.00 0.00 C ATOM 987 CD GLN A 62 91.172 7.220 17.196 1.00 0.00 C ATOM 988 OE1 GLN A 62 92.042 6.466 17.633 1.00 0.00 O ATOM 989 NE2 GLN A 62 90.159 7.556 17.950 1.00 0.00 N ATOM 0 H GLN A 62 92.879 6.626 13.272 1.00 0.00 H new ATOM 0 HA GLN A 62 92.070 9.400 13.852 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.321 7.154 15.505 1.00 0.00 H new ATOM 0 HB3 GLN A 62 93.143 8.790 16.109 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.673 8.681 15.691 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.846 7.051 15.071 1.00 0.00 H new ATOM 0 HE21 GLN A 62 89.439 8.181 17.588 1.00 0.00 H new ATOM 0 HE22 GLN A 62 90.089 7.194 18.901 1.00 0.00 H new ATOM 998 N LYS A 63 94.606 10.109 14.573 1.00 0.00 N ATOM 999 CA LYS A 63 95.903 10.758 14.443 1.00 0.00 C ATOM 1000 C LYS A 63 97.034 9.765 14.682 1.00 0.00 C ATOM 1001 O LYS A 63 96.919 8.874 15.527 1.00 0.00 O ATOM 1002 CB LYS A 63 95.999 11.898 15.455 1.00 0.00 C ATOM 1003 CG LYS A 63 95.037 13.011 15.051 1.00 0.00 C ATOM 1004 CD LYS A 63 95.140 14.166 16.047 1.00 0.00 C ATOM 1005 CE LYS A 63 94.288 15.341 15.562 1.00 0.00 C ATOM 1006 NZ LYS A 63 92.851 15.062 15.834 1.00 0.00 N ATOM 0 H LYS A 63 94.060 10.423 15.375 1.00 0.00 H new ATOM 0 HA LYS A 63 95.999 11.149 13.430 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.755 11.535 16.453 1.00 0.00 H new ATOM 0 HB3 LYS A 63 97.019 12.280 15.495 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.273 13.362 14.046 1.00 0.00 H new ATOM 0 HG3 LYS A 63 94.016 12.631 15.024 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.803 13.841 17.031 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.179 14.477 16.152 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.593 16.257 16.067 1.00 0.00 H new ATOM 0 HE3 LYS A 63 94.442 15.499 14.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 92.274 15.861 15.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 92.564 14.197 15.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 92.710 14.932 16.856 1.00 0.00 H new ATOM 1020 N GLU A 64 98.123 9.930 13.928 1.00 0.00 N ATOM 1021 CA GLU A 64 99.284 9.049 14.055 1.00 0.00 C ATOM 1022 C GLU A 64 98.877 7.584 13.895 1.00 0.00 C ATOM 1023 O GLU A 64 98.734 6.845 14.877 1.00 0.00 O ATOM 1024 CB GLU A 64 99.961 9.273 15.410 1.00 0.00 C ATOM 1025 CG GLU A 64 100.614 10.664 15.446 1.00 0.00 C ATOM 1026 CD GLU A 64 101.203 10.971 16.835 1.00 0.00 C ATOM 1027 OE1 GLU A 64 101.179 10.102 17.699 1.00 0.00 O ATOM 1028 OE2 GLU A 64 101.672 12.084 17.013 1.00 0.00 O ATOM 0 H GLU A 64 98.224 10.663 13.226 1.00 0.00 H new ATOM 0 HA GLU A 64 99.991 9.289 13.261 1.00 0.00 H new ATOM 0 HB2 GLU A 64 99.228 9.185 16.212 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.714 8.504 15.582 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.402 10.717 14.695 1.00 0.00 H new ATOM 0 HG3 GLU A 64 99.875 11.422 15.187 1.00 0.00 H new ATOM 1035 N SER A 65 98.701 7.175 12.639 1.00 0.00 N ATOM 1036 CA SER A 65 98.322 5.803 12.322 1.00 0.00 C ATOM 1037 C SER A 65 99.313 5.222 11.322 1.00 0.00 C ATOM 1038 O SER A 65 99.909 5.965 10.537 1.00 0.00 O ATOM 1039 CB SER A 65 96.905 5.768 11.741 1.00 0.00 C ATOM 1040 OG SER A 65 95.997 6.305 12.693 1.00 0.00 O ATOM 0 H SER A 65 98.816 7.778 11.824 1.00 0.00 H new ATOM 0 HA SER A 65 98.338 5.205 13.233 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.864 6.344 10.816 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.626 4.744 11.492 1.00 0.00 H new ATOM 0 HG SER A 65 95.765 7.223 12.442 1.00 0.00 H new ATOM 1046 N THR A 66 99.493 3.900 11.360 1.00 0.00 N ATOM 1047 CA THR A 66 100.433 3.239 10.455 1.00 0.00 C ATOM 1048 C THR A 66 99.698 2.577 9.295 1.00 0.00 C ATOM 1049 O THR A 66 98.961 1.607 9.486 1.00 0.00 O ATOM 1050 CB THR A 66 101.237 2.184 11.219 1.00 0.00 C ATOM 1051 OG1 THR A 66 101.736 2.751 12.422 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.409 1.705 10.359 1.00 0.00 C ATOM 0 H THR A 66 99.006 3.273 12.000 1.00 0.00 H new ATOM 0 HA THR A 66 101.108 3.995 10.053 1.00 0.00 H new ATOM 0 HB THR A 66 100.591 1.338 11.453 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.250 2.076 12.913 1.00 0.00 H new ATOM 0 HG21 THR A 66 102.979 0.954 10.906 1.00 0.00 H new ATOM 0 HG22 THR A 66 102.028 1.269 9.435 1.00 0.00 H new ATOM 0 HG23 THR A 66 103.056 2.550 10.122 1.00 0.00 H new ATOM 1060 N LEU A 67 99.913 3.118 8.098 1.00 0.00 N ATOM 1061 CA LEU A 67 99.280 2.597 6.891 1.00 0.00 C ATOM 1062 C LEU A 67 100.244 1.695 6.138 1.00 0.00 C ATOM 1063 O LEU A 67 101.441 1.987 6.060 1.00 0.00 O ATOM 1064 CB LEU A 67 98.855 3.755 5.983 1.00 0.00 C ATOM 1065 CG LEU A 67 97.623 4.463 6.566 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.459 5.835 5.905 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.363 3.627 6.297 1.00 0.00 C ATOM 0 H LEU A 67 100.523 3.920 7.939 1.00 0.00 H new ATOM 0 HA LEU A 67 98.402 2.020 7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.676 4.465 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.629 3.380 4.985 1.00 0.00 H new ATOM 0 HG LEU A 67 97.760 4.582 7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.584 6.336 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.347 6.438 6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.329 5.708 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.493 4.135 6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.231 3.503 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.469 2.648 6.764 1.00 0.00 H new ATOM 1079 N HIS A 68 99.714 0.609 5.578 1.00 0.00 N ATOM 1080 CA HIS A 68 100.532 -0.328 4.819 1.00 0.00 C ATOM 1081 C HIS A 68 100.466 -0.001 3.335 1.00 0.00 C ATOM 1082 O HIS A 68 99.380 0.072 2.756 1.00 0.00 O ATOM 1083 CB HIS A 68 100.045 -1.761 5.051 1.00 0.00 C ATOM 1084 CG HIS A 68 100.305 -2.152 6.479 1.00 0.00 C ATOM 1085 ND1 HIS A 68 101.580 -2.424 6.947 1.00 0.00 N ATOM 1086 CD2 HIS A 68 99.466 -2.323 7.553 1.00 0.00 C ATOM 1087 CE1 HIS A 68 101.476 -2.744 8.249 1.00 0.00 C ATOM 1088 NE2 HIS A 68 100.208 -2.698 8.668 1.00 0.00 N ATOM 0 H HIS A 68 98.727 0.359 5.636 1.00 0.00 H new ATOM 0 HA HIS A 68 101.564 -0.241 5.158 1.00 0.00 H new ATOM 0 HB2 HIS A 68 98.980 -1.835 4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.559 -2.445 4.376 1.00 0.00 H new ATOM 0 HD2 HIS A 68 98.395 -2.187 7.534 1.00 0.00 H new ATOM 0 HE1 HIS A 68 102.314 -3.006 8.878 1.00 0.00 H new ATOM 0 HE2 HIS A 68 99.859 -2.896 9.606 1.00 0.00 H new ATOM 1096 N LEU A 69 101.638 0.199 2.732 1.00 0.00 N ATOM 1097 CA LEU A 69 101.723 0.524 1.313 1.00 0.00 C ATOM 1098 C LEU A 69 102.244 -0.671 0.527 1.00 0.00 C ATOM 1099 O LEU A 69 103.208 -1.324 0.933 1.00 0.00 O ATOM 1100 CB LEU A 69 102.660 1.717 1.092 1.00 0.00 C ATOM 1101 CG LEU A 69 102.554 2.196 -0.367 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.264 2.997 -0.555 1.00 0.00 C ATOM 1103 CD2 LEU A 69 103.755 3.080 -0.713 1.00 0.00 C ATOM 0 H LEU A 69 102.539 0.141 3.206 1.00 0.00 H new ATOM 0 HA LEU A 69 100.723 0.781 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.398 2.528 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 69 103.687 1.432 1.318 1.00 0.00 H new ATOM 0 HG LEU A 69 102.543 1.328 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.193 3.334 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.407 2.367 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.272 3.861 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.674 3.416 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.772 3.946 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 69 104.675 2.509 -0.588 1.00 0.00 H new ATOM 1115 N VAL A 70 101.607 -0.931 -0.611 1.00 0.00 N ATOM 1116 CA VAL A 70 102.002 -2.025 -1.489 1.00 0.00 C ATOM 1117 C VAL A 70 102.288 -1.429 -2.864 1.00 0.00 C ATOM 1118 O VAL A 70 101.641 -0.453 -3.256 1.00 0.00 O ATOM 1119 CB VAL A 70 100.877 -3.075 -1.585 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.326 -4.242 -2.474 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.542 -3.611 -0.187 1.00 0.00 C ATOM 0 H VAL A 70 100.808 -0.393 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 70 102.887 -2.526 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 70 99.994 -2.604 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.526 -4.980 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.557 -3.871 -3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.214 -4.706 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 70 99.746 -4.352 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.428 -4.073 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.213 -2.789 0.449 1.00 0.00 H new ATOM 1131 N LEU A 71 103.245 -2.006 -3.596 1.00 0.00 N ATOM 1132 CA LEU A 71 103.584 -1.502 -4.924 1.00 0.00 C ATOM 1133 C LEU A 71 103.267 -2.549 -5.988 1.00 0.00 C ATOM 1134 O LEU A 71 103.770 -3.676 -5.924 1.00 0.00 O ATOM 1135 CB LEU A 71 105.078 -1.147 -4.985 1.00 0.00 C ATOM 1136 CG LEU A 71 105.389 -0.401 -6.295 1.00 0.00 C ATOM 1137 CD1 LEU A 71 104.945 1.061 -6.180 1.00 0.00 C ATOM 1138 CD2 LEU A 71 106.892 -0.454 -6.578 1.00 0.00 C ATOM 0 H LEU A 71 103.791 -2.813 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 71 102.990 -0.609 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.348 -0.526 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.679 -2.054 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 71 104.849 -0.880 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.168 1.583 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 71 103.873 1.102 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.478 1.540 -5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 71 107.106 0.076 -7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.433 0.018 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 71 107.208 -1.493 -6.672 1.00 0.00 H new ATOM 1150 N ARG A 72 102.437 -2.173 -6.970 1.00 0.00 N ATOM 1151 CA ARG A 72 102.076 -3.075 -8.040 1.00 0.00 C ATOM 1152 C ARG A 72 103.035 -2.878 -9.213 1.00 0.00 C ATOM 1153 O ARG A 72 102.817 -2.014 -10.068 1.00 0.00 O ATOM 1154 CB ARG A 72 100.640 -2.798 -8.478 1.00 0.00 C ATOM 1155 CG ARG A 72 100.209 -3.841 -9.505 1.00 0.00 C ATOM 1156 CD ARG A 72 98.733 -3.650 -9.813 1.00 0.00 C ATOM 1157 NE ARG A 72 98.518 -2.387 -10.530 1.00 0.00 N ATOM 1158 CZ ARG A 72 98.626 -2.276 -11.869 1.00 0.00 C ATOM 1159 NH1 ARG A 72 98.933 -3.307 -12.623 1.00 0.00 N ATOM 1160 NH2 ARG A 72 98.424 -1.115 -12.430 1.00 0.00 N ATOM 0 H ARG A 72 102.010 -1.249 -7.034 1.00 0.00 H new ATOM 0 HA ARG A 72 102.146 -4.106 -7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 72 99.974 -2.825 -7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 72 100.566 -1.798 -8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 72 100.800 -3.740 -10.415 1.00 0.00 H new ATOM 0 HG3 ARG A 72 100.387 -4.845 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 72 98.370 -4.483 -10.415 1.00 0.00 H new ATOM 0 HD3 ARG A 72 98.159 -3.652 -8.887 1.00 0.00 H new ATOM 0 HE ARG A 72 98.276 -1.556 -9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 72 99.096 -4.219 -12.197 1.00 0.00 H new ATOM 0 HH12 ARG A 72 99.008 -3.195 -13.634 1.00 0.00 H new ATOM 0 HH21 ARG A 72 98.188 -0.306 -11.856 1.00 0.00 H new ATOM 0 HH22 ARG A 72 98.503 -1.017 -13.442 1.00 0.00 H new ATOM 1174 N LEU A 73 104.095 -3.680 -9.237 1.00 0.00 N ATOM 1175 CA LEU A 73 105.094 -3.600 -10.299 1.00 0.00 C ATOM 1176 C LEU A 73 104.500 -4.120 -11.599 1.00 0.00 C ATOM 1177 O LEU A 73 103.638 -5.001 -11.577 1.00 0.00 O ATOM 1178 CB LEU A 73 106.322 -4.430 -9.925 1.00 0.00 C ATOM 1179 CG LEU A 73 107.063 -3.762 -8.760 1.00 0.00 C ATOM 1180 CD1 LEU A 73 108.051 -4.754 -8.147 1.00 0.00 C ATOM 1181 CD2 LEU A 73 107.835 -2.538 -9.270 1.00 0.00 C ATOM 0 H LEU A 73 104.285 -4.393 -8.533 1.00 0.00 H new ATOM 0 HA LEU A 73 105.394 -2.560 -10.429 1.00 0.00 H new ATOM 0 HB2 LEU A 73 106.019 -5.439 -9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 73 106.985 -4.523 -10.785 1.00 0.00 H new ATOM 0 HG LEU A 73 106.338 -3.450 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 73 108.577 -4.279 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 73 107.510 -5.626 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 73 108.771 -5.065 -8.904 1.00 0.00 H new ATOM 0 HD21 LEU A 73 108.360 -2.067 -8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 73 108.557 -2.851 -10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.137 -1.825 -9.710 1.00 0.00 H new ATOM 1193 N ARG A 74 104.978 -3.573 -12.721 1.00 0.00 N ATOM 1194 CA ARG A 74 104.505 -3.971 -14.046 1.00 0.00 C ATOM 1195 C ARG A 74 102.999 -3.754 -14.166 1.00 0.00 C ATOM 1196 O ARG A 74 102.281 -3.727 -13.163 1.00 0.00 O ATOM 1197 CB ARG A 74 104.847 -5.438 -14.298 1.00 0.00 C ATOM 1198 CG ARG A 74 106.358 -5.582 -14.493 1.00 0.00 C ATOM 1199 CD ARG A 74 106.707 -7.059 -14.657 1.00 0.00 C ATOM 1200 NE ARG A 74 108.156 -7.219 -14.852 1.00 0.00 N ATOM 1201 CZ ARG A 74 108.742 -7.177 -16.065 1.00 0.00 C ATOM 1202 NH1 ARG A 74 108.043 -6.998 -17.166 1.00 0.00 N ATOM 1203 NH2 ARG A 74 110.038 -7.311 -16.151 1.00 0.00 N ATOM 0 H ARG A 74 105.697 -2.849 -12.735 1.00 0.00 H new ATOM 0 HA ARG A 74 105.001 -3.354 -14.795 1.00 0.00 H new ATOM 0 HB2 ARG A 74 104.518 -6.049 -13.457 1.00 0.00 H new ATOM 0 HB3 ARG A 74 104.319 -5.799 -15.181 1.00 0.00 H new ATOM 0 HG2 ARG A 74 106.678 -5.021 -15.371 1.00 0.00 H new ATOM 0 HG3 ARG A 74 106.888 -5.164 -13.637 1.00 0.00 H new ATOM 0 HD2 ARG A 74 106.387 -7.616 -13.776 1.00 0.00 H new ATOM 0 HD3 ARG A 74 106.170 -7.475 -15.509 1.00 0.00 H new ATOM 0 HE ARG A 74 108.744 -7.369 -14.032 1.00 0.00 H new ATOM 0 HH11 ARG A 74 107.030 -6.887 -17.115 1.00 0.00 H new ATOM 0 HH12 ARG A 74 108.514 -6.971 -18.070 1.00 0.00 H new ATOM 0 HH21 ARG A 74 110.594 -7.446 -15.306 1.00 0.00 H new ATOM 0 HH22 ARG A 74 110.494 -7.281 -17.063 1.00 0.00 H new ATOM 1217 N GLY A 75 102.524 -3.589 -15.403 1.00 0.00 N ATOM 1218 CA GLY A 75 101.102 -3.369 -15.647 1.00 0.00 C ATOM 1219 C GLY A 75 100.459 -4.629 -16.213 1.00 0.00 C ATOM 1220 O GLY A 75 100.622 -5.719 -15.659 1.00 0.00 O ATOM 0 H GLY A 75 103.101 -3.604 -16.244 1.00 0.00 H new ATOM 0 HA2 GLY A 75 100.607 -3.086 -14.718 1.00 0.00 H new ATOM 0 HA3 GLY A 75 100.970 -2.541 -16.344 1.00 0.00 H new ATOM 1224 N GLY A 76 99.732 -4.466 -17.318 1.00 0.00 N ATOM 1225 CA GLY A 76 99.063 -5.591 -17.969 1.00 0.00 C ATOM 1226 C GLY A 76 99.784 -5.981 -19.255 1.00 0.00 C ATOM 1227 O GLY A 76 100.417 -7.023 -19.263 1.00 0.00 O ATOM 1228 OXT GLY A 76 99.695 -5.229 -20.212 1.00 0.00 O ATOM 0 H GLY A 76 99.592 -3.568 -17.780 1.00 0.00 H new ATOM 0 HA2 GLY A 76 99.033 -6.444 -17.291 1.00 0.00 H new ATOM 0 HA3 GLY A 76 98.030 -5.325 -18.193 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 117.983 -16.006 -4.394 1.00 0.00 N ATOM 1234 CA GLN B 198 116.863 -15.764 -3.441 1.00 0.00 C ATOM 1235 C GLN B 198 115.838 -14.836 -4.085 1.00 0.00 C ATOM 1236 O GLN B 198 116.204 -13.847 -4.728 1.00 0.00 O ATOM 1237 CB GLN B 198 117.414 -15.120 -2.162 1.00 0.00 C ATOM 1238 CG GLN B 198 118.373 -16.085 -1.455 1.00 0.00 C ATOM 1239 CD GLN B 198 117.623 -17.315 -0.951 1.00 0.00 C ATOM 1240 OE1 GLN B 198 116.591 -17.186 -0.292 1.00 0.00 O ATOM 1241 NE2 GLN B 198 118.083 -18.505 -1.221 1.00 0.00 N ATOM 0 HA GLN B 198 116.383 -16.711 -3.192 1.00 0.00 H new ATOM 0 HB2 GLN B 198 117.934 -14.194 -2.407 1.00 0.00 H new ATOM 0 HB3 GLN B 198 116.593 -14.858 -1.495 1.00 0.00 H new ATOM 0 HG2 GLN B 198 119.162 -16.390 -2.142 1.00 0.00 H new ATOM 0 HG3 GLN B 198 118.856 -15.579 -0.619 1.00 0.00 H new ATOM 0 HE21 GLN B 198 118.938 -18.609 -1.767 1.00 0.00 H new ATOM 0 HE22 GLN B 198 117.588 -19.331 -0.886 1.00 0.00 H new ATOM 1250 N VAL B 199 114.556 -15.163 -3.905 1.00 0.00 N ATOM 1251 CA VAL B 199 113.473 -14.358 -4.468 1.00 0.00 C ATOM 1252 C VAL B 199 112.918 -13.402 -3.403 1.00 0.00 C ATOM 1253 O VAL B 199 112.729 -13.792 -2.248 1.00 0.00 O ATOM 1254 CB VAL B 199 112.355 -15.279 -5.013 1.00 0.00 C ATOM 1255 CG1 VAL B 199 111.746 -16.112 -3.877 1.00 0.00 C ATOM 1256 CG2 VAL B 199 111.253 -14.434 -5.672 1.00 0.00 C ATOM 0 H VAL B 199 114.245 -15.977 -3.375 1.00 0.00 H new ATOM 0 HA VAL B 199 113.863 -13.764 -5.294 1.00 0.00 H new ATOM 0 HB VAL B 199 112.791 -15.950 -5.753 1.00 0.00 H new ATOM 0 HG11 VAL B 199 110.961 -16.754 -4.277 1.00 0.00 H new ATOM 0 HG12 VAL B 199 112.521 -16.727 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL B 199 111.322 -15.447 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL B 199 110.470 -15.090 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL B 199 110.828 -13.752 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL B 199 111.678 -13.860 -6.496 1.00 0.00 H new ATOM 1266 N THR B 200 112.667 -12.162 -3.814 1.00 0.00 N ATOM 1267 CA THR B 200 112.132 -11.153 -2.909 1.00 0.00 C ATOM 1268 C THR B 200 110.740 -11.555 -2.435 1.00 0.00 C ATOM 1269 O THR B 200 109.950 -12.109 -3.205 1.00 0.00 O ATOM 1270 CB THR B 200 112.063 -9.804 -3.617 1.00 0.00 C ATOM 1271 OG1 THR B 200 113.274 -9.581 -4.323 1.00 0.00 O ATOM 1272 CG2 THR B 200 111.862 -8.695 -2.584 1.00 0.00 C ATOM 0 H THR B 200 112.826 -11.834 -4.767 1.00 0.00 H new ATOM 0 HA THR B 200 112.792 -11.073 -2.045 1.00 0.00 H new ATOM 0 HB THR B 200 111.227 -9.802 -4.317 1.00 0.00 H new ATOM 0 HG1 THR B 200 113.231 -8.715 -4.780 1.00 0.00 H new ATOM 0 HG21 THR B 200 111.813 -7.731 -3.090 1.00 0.00 H new ATOM 0 HG22 THR B 200 110.933 -8.868 -2.041 1.00 0.00 H new ATOM 0 HG23 THR B 200 112.697 -8.695 -1.883 1.00 0.00 H new ATOM 1280 N LYS B 201 110.453 -11.272 -1.166 1.00 0.00 N ATOM 1281 CA LYS B 201 109.158 -11.596 -0.576 1.00 0.00 C ATOM 1282 C LYS B 201 108.648 -10.432 0.264 1.00 0.00 C ATOM 1283 O LYS B 201 109.435 -9.664 0.822 1.00 0.00 O ATOM 1284 CB LYS B 201 109.271 -12.855 0.287 1.00 0.00 C ATOM 1285 CG LYS B 201 109.535 -14.064 -0.614 1.00 0.00 C ATOM 1286 CD LYS B 201 109.717 -15.314 0.244 1.00 0.00 C ATOM 1287 CE LYS B 201 110.004 -16.515 -0.658 1.00 0.00 C ATOM 1288 NZ LYS B 201 110.217 -17.727 0.182 1.00 0.00 N ATOM 0 H LYS B 201 111.103 -10.817 -0.525 1.00 0.00 H new ATOM 0 HA LYS B 201 108.448 -11.781 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.079 -12.743 1.010 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.353 -13.004 0.855 1.00 0.00 H new ATOM 0 HG2 LYS B 201 108.704 -14.203 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.426 -13.892 -1.218 1.00 0.00 H new ATOM 0 HD2 LYS B 201 110.538 -15.169 0.947 1.00 0.00 H new ATOM 0 HD3 LYS B 201 108.819 -15.496 0.835 1.00 0.00 H new ATOM 0 HE2 LYS B 201 109.172 -16.676 -1.343 1.00 0.00 H new ATOM 0 HE3 LYS B 201 110.886 -16.323 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 110.412 -18.544 -0.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 111.025 -17.571 0.818 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 109.363 -17.913 0.746 1.00 0.00 H new ATOM 1302 N VAL B 202 107.326 -10.320 0.347 1.00 0.00 N ATOM 1303 CA VAL B 202 106.683 -9.258 1.118 1.00 0.00 C ATOM 1304 C VAL B 202 105.548 -9.834 1.956 1.00 0.00 C ATOM 1305 O VAL B 202 104.728 -10.609 1.459 1.00 0.00 O ATOM 1306 CB VAL B 202 106.153 -8.152 0.184 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.331 -7.463 -0.517 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.214 -8.750 -0.876 1.00 0.00 C ATOM 0 H VAL B 202 106.674 -10.956 -0.113 1.00 0.00 H new ATOM 0 HA VAL B 202 107.424 -8.816 1.784 1.00 0.00 H new ATOM 0 HB VAL B 202 105.600 -7.426 0.781 1.00 0.00 H new ATOM 0 HG11 VAL B 202 106.955 -6.681 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL B 202 107.991 -7.021 0.230 1.00 0.00 H new ATOM 0 HG13 VAL B 202 107.885 -8.196 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL B 202 104.848 -7.956 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL B 202 105.757 -9.485 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.370 -9.233 -0.384 1.00 0.00 H new ATOM 1318 N ASP B 203 105.520 -9.451 3.231 1.00 0.00 N ATOM 1319 CA ASP B 203 104.496 -9.927 4.160 1.00 0.00 C ATOM 1320 C ASP B 203 103.132 -9.336 3.811 1.00 0.00 C ATOM 1321 O ASP B 203 103.048 -8.190 3.364 1.00 0.00 O ATOM 1322 CB ASP B 203 104.876 -9.524 5.583 1.00 0.00 C ATOM 1323 CG ASP B 203 106.091 -10.317 6.054 1.00 0.00 C ATOM 1324 OD1 ASP B 203 106.980 -9.711 6.633 1.00 0.00 O ATOM 1325 OD2 ASP B 203 106.116 -11.518 5.839 1.00 0.00 O ATOM 0 H ASP B 203 106.197 -8.810 3.646 1.00 0.00 H new ATOM 0 HA ASP B 203 104.434 -11.013 4.084 1.00 0.00 H new ATOM 0 HB2 ASP B 203 105.094 -8.457 5.619 1.00 0.00 H new ATOM 0 HB3 ASP B 203 104.036 -9.701 6.254 1.00 0.00 H new ATOM 1330 N CYS B 204 102.068 -10.121 4.028 1.00 0.00 N ATOM 1331 CA CYS B 204 100.715 -9.653 3.742 1.00 0.00 C ATOM 1332 C CYS B 204 100.178 -8.841 4.936 1.00 0.00 C ATOM 1333 O CYS B 204 100.107 -9.376 6.035 1.00 0.00 O ATOM 1334 CB CYS B 204 99.777 -10.835 3.467 1.00 0.00 C ATOM 1335 SG CYS B 204 98.099 -10.229 3.108 1.00 0.00 S ATOM 0 H CYS B 204 102.121 -11.071 4.396 1.00 0.00 H new ATOM 0 HA CYS B 204 100.752 -9.021 2.855 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.150 -11.417 2.624 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.755 -11.501 4.330 1.00 0.00 H new ATOM 1340 N PRO B 205 99.800 -7.577 4.768 1.00 0.00 N ATOM 1341 CA PRO B 205 99.264 -6.744 5.898 1.00 0.00 C ATOM 1342 C PRO B 205 97.888 -7.222 6.392 1.00 0.00 C ATOM 1343 O PRO B 205 97.430 -6.820 7.464 1.00 0.00 O ATOM 1344 CB PRO B 205 99.156 -5.324 5.313 1.00 0.00 C ATOM 1345 CG PRO B 205 99.860 -5.350 3.995 1.00 0.00 C ATOM 1346 CD PRO B 205 99.827 -6.792 3.518 1.00 0.00 C ATOM 0 HA PRO B 205 99.917 -6.805 6.769 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.112 -5.034 5.189 1.00 0.00 H new ATOM 0 HB3 PRO B 205 99.612 -4.594 5.982 1.00 0.00 H new ATOM 0 HG2 PRO B 205 99.367 -4.693 3.279 1.00 0.00 H new ATOM 0 HG3 PRO B 205 100.887 -4.998 4.096 1.00 0.00 H new ATOM 0 HD2 PRO B 205 98.949 -6.990 2.903 1.00 0.00 H new ATOM 0 HD3 PRO B 205 100.701 -7.033 2.913 1.00 0.00 H new ATOM 1354 N VAL B 206 97.235 -8.046 5.577 1.00 0.00 N ATOM 1355 CA VAL B 206 95.895 -8.561 5.875 1.00 0.00 C ATOM 1356 C VAL B 206 95.941 -9.788 6.784 1.00 0.00 C ATOM 1357 O VAL B 206 95.243 -9.855 7.798 1.00 0.00 O ATOM 1358 CB VAL B 206 95.216 -9.015 4.563 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.757 -9.420 4.817 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.264 -7.931 3.479 1.00 0.00 C ATOM 0 H VAL B 206 97.617 -8.377 4.691 1.00 0.00 H new ATOM 0 HA VAL B 206 95.350 -7.756 6.368 1.00 0.00 H new ATOM 0 HB VAL B 206 95.777 -9.877 4.203 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.299 -9.736 3.880 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.727 -10.243 5.531 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.208 -8.569 5.220 1.00 0.00 H new ATOM 0 HG21 VAL B 206 94.775 -8.297 2.576 1.00 0.00 H new ATOM 0 HG22 VAL B 206 94.749 -7.038 3.834 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.302 -7.686 3.255 1.00 0.00 H new ATOM 1370 N CYS B 207 96.707 -10.785 6.343 1.00 0.00 N ATOM 1371 CA CYS B 207 96.791 -12.063 7.033 1.00 0.00 C ATOM 1372 C CYS B 207 98.203 -12.358 7.568 1.00 0.00 C ATOM 1373 O CYS B 207 98.399 -13.348 8.278 1.00 0.00 O ATOM 1374 CB CYS B 207 96.318 -13.148 6.040 1.00 0.00 C ATOM 1375 SG CYS B 207 97.595 -13.510 4.795 1.00 0.00 S ATOM 0 H CYS B 207 97.282 -10.727 5.502 1.00 0.00 H new ATOM 0 HA CYS B 207 96.154 -12.045 7.917 1.00 0.00 H new ATOM 0 HB2 CYS B 207 96.070 -14.059 6.585 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.407 -12.816 5.543 1.00 0.00 H new ATOM 1380 N GLY B 208 99.175 -11.501 7.228 1.00 0.00 N ATOM 1381 CA GLY B 208 100.553 -11.688 7.684 1.00 0.00 C ATOM 1382 C GLY B 208 101.096 -13.028 7.217 1.00 0.00 C ATOM 1383 O GLY B 208 101.311 -13.934 8.024 1.00 0.00 O ATOM 0 H GLY B 208 99.031 -10.678 6.643 1.00 0.00 H new ATOM 0 HA2 GLY B 208 101.180 -10.883 7.302 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.592 -11.633 8.772 1.00 0.00 H new ATOM 1387 N VAL B 209 101.316 -13.141 5.907 1.00 0.00 N ATOM 1388 CA VAL B 209 101.842 -14.363 5.320 1.00 0.00 C ATOM 1389 C VAL B 209 102.957 -14.014 4.340 1.00 0.00 C ATOM 1390 O VAL B 209 102.825 -13.076 3.547 1.00 0.00 O ATOM 1391 CB VAL B 209 100.702 -15.144 4.625 1.00 0.00 C ATOM 1392 CG1 VAL B 209 101.257 -16.339 3.834 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.725 -15.663 5.686 1.00 0.00 C ATOM 0 H VAL B 209 101.136 -12.396 5.234 1.00 0.00 H new ATOM 0 HA VAL B 209 102.258 -15.002 6.099 1.00 0.00 H new ATOM 0 HB VAL B 209 100.194 -14.471 3.934 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.435 -16.871 3.355 1.00 0.00 H new ATOM 0 HG12 VAL B 209 101.950 -15.981 3.073 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.780 -17.013 4.512 1.00 0.00 H new ATOM 0 HG21 VAL B 209 98.920 -16.214 5.200 1.00 0.00 H new ATOM 0 HG22 VAL B 209 100.253 -16.323 6.375 1.00 0.00 H new ATOM 0 HG23 VAL B 209 99.307 -14.821 6.238 1.00 0.00 H new ATOM 1403 N ASN B 210 104.038 -14.789 4.393 1.00 0.00 N ATOM 1404 CA ASN B 210 105.163 -14.578 3.497 1.00 0.00 C ATOM 1405 C ASN B 210 104.732 -14.945 2.091 1.00 0.00 C ATOM 1406 O ASN B 210 104.173 -16.025 1.876 1.00 0.00 O ATOM 1407 CB ASN B 210 106.342 -15.443 3.923 1.00 0.00 C ATOM 1408 CG ASN B 210 107.039 -14.800 5.110 1.00 0.00 C ATOM 1409 OD1 ASN B 210 106.850 -15.226 6.249 1.00 0.00 O ATOM 1410 ND2 ASN B 210 107.839 -13.792 4.911 1.00 0.00 N ATOM 0 H ASN B 210 104.155 -15.564 5.045 1.00 0.00 H new ATOM 0 HA ASN B 210 105.474 -13.534 3.531 1.00 0.00 H new ATOM 0 HB2 ASN B 210 105.997 -16.442 4.188 1.00 0.00 H new ATOM 0 HB3 ASN B 210 107.041 -15.557 3.095 1.00 0.00 H new ATOM 0 HD21 ASN B 210 108.312 -13.352 5.701 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.993 -13.442 3.965 1.00 0.00 H new ATOM 1417 N ILE B 211 104.983 -14.047 1.138 1.00 0.00 N ATOM 1418 CA ILE B 211 104.598 -14.293 -0.254 1.00 0.00 C ATOM 1419 C ILE B 211 105.525 -13.522 -1.218 1.00 0.00 C ATOM 1420 O ILE B 211 105.879 -12.379 -0.928 1.00 0.00 O ATOM 1421 CB ILE B 211 103.127 -13.860 -0.509 1.00 0.00 C ATOM 1422 CG1 ILE B 211 102.177 -14.606 0.458 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.737 -14.188 -1.966 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.744 -14.091 0.320 1.00 0.00 C ATOM 0 H ILE B 211 105.446 -13.153 1.300 1.00 0.00 H new ATOM 0 HA ILE B 211 104.692 -15.363 -0.437 1.00 0.00 H new ATOM 0 HB ILE B 211 103.039 -12.787 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE B 211 102.205 -15.675 0.249 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.518 -14.473 1.485 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.705 -13.884 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.396 -13.652 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.834 -15.260 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE B 211 100.095 -14.631 1.010 1.00 0.00 H new ATOM 0 HD12 ILE B 211 100.716 -13.027 0.553 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.398 -14.248 -0.702 1.00 0.00 H new ATOM 1436 N PRO B 212 105.895 -14.093 -2.371 1.00 0.00 N ATOM 1437 CA PRO B 212 106.756 -13.382 -3.367 1.00 0.00 C ATOM 1438 C PRO B 212 106.077 -12.109 -3.872 1.00 0.00 C ATOM 1439 O PRO B 212 104.856 -11.966 -3.758 1.00 0.00 O ATOM 1440 CB PRO B 212 106.945 -14.398 -4.506 1.00 0.00 C ATOM 1441 CG PRO B 212 106.599 -15.725 -3.923 1.00 0.00 C ATOM 1442 CD PRO B 212 105.558 -15.457 -2.852 1.00 0.00 C ATOM 0 HA PRO B 212 107.705 -13.061 -2.938 1.00 0.00 H new ATOM 0 HB2 PRO B 212 106.300 -14.162 -5.352 1.00 0.00 H new ATOM 0 HB3 PRO B 212 107.971 -14.387 -4.874 1.00 0.00 H new ATOM 0 HG2 PRO B 212 106.207 -16.396 -4.687 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.480 -16.205 -3.498 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.547 -15.501 -3.256 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.612 -16.191 -2.048 1.00 0.00 H new ATOM 1450 N GLU B 213 106.873 -11.201 -4.436 1.00 0.00 N ATOM 1451 CA GLU B 213 106.344 -9.944 -4.973 1.00 0.00 C ATOM 1452 C GLU B 213 105.479 -10.191 -6.209 1.00 0.00 C ATOM 1453 O GLU B 213 104.544 -9.433 -6.477 1.00 0.00 O ATOM 1454 CB GLU B 213 107.488 -8.995 -5.320 1.00 0.00 C ATOM 1455 CG GLU B 213 108.120 -8.453 -4.030 1.00 0.00 C ATOM 1456 CD GLU B 213 109.310 -7.531 -4.334 1.00 0.00 C ATOM 1457 OE1 GLU B 213 109.699 -7.418 -5.490 1.00 0.00 O ATOM 1458 OE2 GLU B 213 109.812 -6.934 -3.395 1.00 0.00 O ATOM 0 H GLU B 213 107.882 -11.310 -4.534 1.00 0.00 H new ATOM 0 HA GLU B 213 105.719 -9.488 -4.205 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.239 -9.517 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU B 213 107.117 -8.171 -5.929 1.00 0.00 H new ATOM 0 HG2 GLU B 213 107.371 -7.906 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU B 213 108.451 -9.285 -3.408 1.00 0.00 H new ATOM 1465 N SER B 214 105.789 -11.257 -6.950 1.00 0.00 N ATOM 1466 CA SER B 214 105.024 -11.608 -8.151 1.00 0.00 C ATOM 1467 C SER B 214 103.771 -12.430 -7.798 1.00 0.00 C ATOM 1468 O SER B 214 103.121 -12.984 -8.687 1.00 0.00 O ATOM 1469 CB SER B 214 105.910 -12.413 -9.102 1.00 0.00 C ATOM 1470 OG SER B 214 106.152 -13.696 -8.541 1.00 0.00 O ATOM 0 H SER B 214 106.561 -11.890 -6.742 1.00 0.00 H new ATOM 0 HA SER B 214 104.701 -10.684 -8.631 1.00 0.00 H new ATOM 0 HB2 SER B 214 105.425 -12.513 -10.073 1.00 0.00 H new ATOM 0 HB3 SER B 214 106.853 -11.892 -9.269 1.00 0.00 H new ATOM 0 HG SER B 214 105.339 -14.018 -8.097 1.00 0.00 H new ATOM 1476 N HIS B 215 103.439 -12.495 -6.502 1.00 0.00 N ATOM 1477 CA HIS B 215 102.265 -13.235 -6.032 1.00 0.00 C ATOM 1478 C HIS B 215 101.421 -12.407 -5.053 1.00 0.00 C ATOM 1479 O HIS B 215 100.294 -12.793 -4.732 1.00 0.00 O ATOM 1480 CB HIS B 215 102.721 -14.521 -5.339 1.00 0.00 C ATOM 1481 CG HIS B 215 103.195 -15.510 -6.369 1.00 0.00 C ATOM 1482 ND1 HIS B 215 104.421 -15.391 -7.003 1.00 0.00 N ATOM 1483 CD2 HIS B 215 102.609 -16.635 -6.890 1.00 0.00 C ATOM 1484 CE1 HIS B 215 104.533 -16.420 -7.863 1.00 0.00 C ATOM 1485 NE2 HIS B 215 103.456 -17.209 -7.833 1.00 0.00 N ATOM 0 H HIS B 215 103.971 -12.041 -5.759 1.00 0.00 H new ATOM 0 HA HIS B 215 101.646 -13.465 -6.899 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.524 -14.301 -4.635 1.00 0.00 H new ATOM 0 HB3 HIS B 215 101.899 -14.946 -4.763 1.00 0.00 H new ATOM 0 HD2 HIS B 215 101.638 -17.017 -6.611 1.00 0.00 H new ATOM 0 HE1 HIS B 215 105.389 -16.587 -8.500 1.00 0.00 H new ATOM 0 HE2 HIS B 215 103.290 -18.052 -8.383 1.00 0.00 H new ATOM 1493 N ILE B 216 101.973 -11.286 -4.569 1.00 0.00 N ATOM 1494 CA ILE B 216 101.268 -10.433 -3.618 1.00 0.00 C ATOM 1495 C ILE B 216 100.044 -9.778 -4.262 1.00 0.00 C ATOM 1496 O ILE B 216 99.003 -9.644 -3.619 1.00 0.00 O ATOM 1497 CB ILE B 216 102.230 -9.360 -3.058 1.00 0.00 C ATOM 1498 CG1 ILE B 216 101.550 -8.598 -1.908 1.00 0.00 C ATOM 1499 CG2 ILE B 216 102.644 -8.369 -4.162 1.00 0.00 C ATOM 1500 CD1 ILE B 216 101.483 -9.485 -0.657 1.00 0.00 C ATOM 0 H ILE B 216 102.903 -10.954 -4.823 1.00 0.00 H new ATOM 0 HA ILE B 216 100.914 -11.055 -2.796 1.00 0.00 H new ATOM 0 HB ILE B 216 103.124 -9.860 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE B 216 102.104 -7.686 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE B 216 100.545 -8.297 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE B 216 103.321 -7.623 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE B 216 103.147 -8.908 -4.965 1.00 0.00 H new ATOM 0 HG23 ILE B 216 101.757 -7.874 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE B 216 101.000 -8.937 0.152 1.00 0.00 H new ATOM 0 HD12 ILE B 216 100.909 -10.385 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE B 216 102.492 -9.764 -0.354 1.00 0.00 H new ATOM 1512 N ASN B 217 100.189 -9.358 -5.519 1.00 0.00 N ATOM 1513 CA ASN B 217 99.095 -8.696 -6.223 1.00 0.00 C ATOM 1514 C ASN B 217 97.886 -9.620 -6.322 1.00 0.00 C ATOM 1515 O ASN B 217 96.761 -9.212 -6.018 1.00 0.00 O ATOM 1516 CB ASN B 217 99.552 -8.301 -7.629 1.00 0.00 C ATOM 1517 CG ASN B 217 100.431 -7.053 -7.572 1.00 0.00 C ATOM 1518 OD1 ASN B 217 100.220 -6.176 -6.732 1.00 0.00 O ATOM 1519 ND2 ASN B 217 101.416 -6.922 -8.418 1.00 0.00 N ATOM 0 H ASN B 217 101.044 -9.464 -6.064 1.00 0.00 H new ATOM 0 HA ASN B 217 98.811 -7.804 -5.665 1.00 0.00 H new ATOM 0 HB2 ASN B 217 100.106 -9.123 -8.083 1.00 0.00 H new ATOM 0 HB3 ASN B 217 98.684 -8.114 -8.261 1.00 0.00 H new ATOM 0 HD21 ASN B 217 102.011 -6.094 -8.384 1.00 0.00 H new ATOM 0 HD22 ASN B 217 101.591 -7.647 -9.113 1.00 0.00 H new ATOM 1526 N LYS B 218 98.131 -10.871 -6.728 1.00 0.00 N ATOM 1527 CA LYS B 218 97.057 -11.854 -6.844 1.00 0.00 C ATOM 1528 C LYS B 218 96.555 -12.234 -5.453 1.00 0.00 C ATOM 1529 O LYS B 218 95.344 -12.310 -5.222 1.00 0.00 O ATOM 1530 CB LYS B 218 97.552 -13.104 -7.583 1.00 0.00 C ATOM 1531 CG LYS B 218 96.369 -14.045 -7.845 1.00 0.00 C ATOM 1532 CD LYS B 218 96.846 -15.249 -8.650 1.00 0.00 C ATOM 1533 CE LYS B 218 95.661 -16.179 -8.923 1.00 0.00 C ATOM 1534 NZ LYS B 218 96.125 -17.350 -9.717 1.00 0.00 N ATOM 0 H LYS B 218 99.056 -11.221 -6.979 1.00 0.00 H new ATOM 0 HA LYS B 218 96.239 -11.416 -7.415 1.00 0.00 H new ATOM 0 HB2 LYS B 218 98.021 -12.821 -8.525 1.00 0.00 H new ATOM 0 HB3 LYS B 218 98.311 -13.613 -6.990 1.00 0.00 H new ATOM 0 HG2 LYS B 218 95.936 -14.374 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS B 218 95.585 -13.518 -8.389 1.00 0.00 H new ATOM 0 HD2 LYS B 218 97.288 -14.920 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS B 218 97.623 -15.782 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS B 218 95.223 -16.514 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS B 218 94.882 -15.644 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 95.321 -17.983 -9.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 96.524 -17.021 -10.620 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 96.854 -17.864 -9.183 1.00 0.00 H new ATOM 1548 N HIS B 219 97.496 -12.475 -4.538 1.00 0.00 N ATOM 1549 CA HIS B 219 97.146 -12.849 -3.173 1.00 0.00 C ATOM 1550 C HIS B 219 96.270 -11.777 -2.520 1.00 0.00 C ATOM 1551 O HIS B 219 95.383 -12.109 -1.735 1.00 0.00 O ATOM 1552 CB HIS B 219 98.409 -13.101 -2.330 1.00 0.00 C ATOM 1553 CG HIS B 219 98.006 -13.317 -0.892 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.389 -14.476 -0.451 1.00 0.00 N ATOM 1555 CD2 HIS B 219 98.062 -12.486 0.192 1.00 0.00 C ATOM 1556 CE1 HIS B 219 97.093 -14.302 0.852 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.482 -13.106 1.293 1.00 0.00 N ATOM 0 H HIS B 219 98.498 -12.418 -4.719 1.00 0.00 H new ATOM 0 HA HIS B 219 96.575 -13.776 -3.217 1.00 0.00 H new ATOM 0 HB2 HIS B 219 98.944 -13.973 -2.706 1.00 0.00 H new ATOM 0 HB3 HIS B 219 99.088 -12.252 -2.407 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.195 -15.307 -1.009 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.493 -11.496 0.193 1.00 0.00 H new ATOM 0 HE1 HIS B 219 96.600 -15.042 1.465 1.00 0.00 H new ATOM 1564 N LEU B 220 96.536 -10.510 -2.816 1.00 0.00 N ATOM 1565 CA LEU B 220 95.757 -9.433 -2.216 1.00 0.00 C ATOM 1566 C LEU B 220 94.291 -9.563 -2.604 1.00 0.00 C ATOM 1567 O LEU B 220 93.402 -9.353 -1.776 1.00 0.00 O ATOM 1568 CB LEU B 220 96.301 -8.072 -2.662 1.00 0.00 C ATOM 1569 CG LEU B 220 97.545 -7.705 -1.837 1.00 0.00 C ATOM 1570 CD1 LEU B 220 98.280 -6.546 -2.510 1.00 0.00 C ATOM 1571 CD2 LEU B 220 97.119 -7.279 -0.426 1.00 0.00 C ATOM 0 H LEU B 220 97.271 -10.206 -3.455 1.00 0.00 H new ATOM 0 HA LEU B 220 95.841 -9.506 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.554 -8.102 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.534 -7.307 -2.539 1.00 0.00 H new ATOM 0 HG LEU B 220 98.204 -8.571 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU B 220 99.162 -6.286 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.585 -6.842 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.618 -5.682 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU B 220 98.002 -7.019 0.158 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.459 -6.414 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.593 -8.101 0.059 1.00 0.00 H new ATOM 1583 N ASP B 221 94.048 -9.922 -3.861 1.00 0.00 N ATOM 1584 CA ASP B 221 92.686 -10.092 -4.360 1.00 0.00 C ATOM 1585 C ASP B 221 91.975 -11.245 -3.636 1.00 0.00 C ATOM 1586 O ASP B 221 90.768 -11.181 -3.390 1.00 0.00 O ATOM 1587 CB ASP B 221 92.721 -10.378 -5.862 1.00 0.00 C ATOM 1588 CG ASP B 221 91.339 -10.161 -6.468 1.00 0.00 C ATOM 1589 OD1 ASP B 221 90.770 -9.109 -6.232 1.00 0.00 O ATOM 1590 OD2 ASP B 221 90.870 -11.052 -7.159 1.00 0.00 O ATOM 0 H ASP B 221 94.776 -10.101 -4.553 1.00 0.00 H new ATOM 0 HA ASP B 221 92.134 -9.171 -4.171 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.446 -9.725 -6.348 1.00 0.00 H new ATOM 0 HB3 ASP B 221 93.047 -11.403 -6.038 1.00 0.00 H new ATOM 1595 N SER B 222 92.739 -12.291 -3.298 1.00 0.00 N ATOM 1596 CA SER B 222 92.187 -13.457 -2.600 1.00 0.00 C ATOM 1597 C SER B 222 91.983 -13.163 -1.112 1.00 0.00 C ATOM 1598 O SER B 222 90.976 -13.560 -0.522 1.00 0.00 O ATOM 1599 CB SER B 222 93.126 -14.656 -2.762 1.00 0.00 C ATOM 1600 OG SER B 222 94.403 -14.331 -2.231 1.00 0.00 O ATOM 0 H SER B 222 93.738 -12.353 -3.496 1.00 0.00 H new ATOM 0 HA SER B 222 91.218 -13.688 -3.042 1.00 0.00 H new ATOM 0 HB2 SER B 222 92.716 -15.525 -2.247 1.00 0.00 H new ATOM 0 HB3 SER B 222 93.215 -14.922 -3.815 1.00 0.00 H new ATOM 0 HG SER B 222 94.544 -13.363 -2.288 1.00 0.00 H new ATOM 1606 N CYS B 223 92.960 -12.471 -0.521 1.00 0.00 N ATOM 1607 CA CYS B 223 92.921 -12.116 0.900 1.00 0.00 C ATOM 1608 C CYS B 223 91.772 -11.152 1.187 1.00 0.00 C ATOM 1609 O CYS B 223 91.076 -11.286 2.197 1.00 0.00 O ATOM 1610 CB CYS B 223 94.260 -11.475 1.308 1.00 0.00 C ATOM 1611 SG CYS B 223 94.650 -11.913 3.026 1.00 0.00 S ATOM 0 H CYS B 223 93.794 -12.143 -1.009 1.00 0.00 H new ATOM 0 HA CYS B 223 92.759 -13.023 1.482 1.00 0.00 H new ATOM 0 HB2 CYS B 223 95.055 -11.818 0.646 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.203 -10.392 1.203 1.00 0.00 H new ATOM 1616 N LEU B 224 91.587 -10.186 0.291 1.00 0.00 N ATOM 1617 CA LEU B 224 90.524 -9.193 0.430 1.00 0.00 C ATOM 1618 C LEU B 224 89.149 -9.859 0.369 1.00 0.00 C ATOM 1619 O LEU B 224 88.236 -9.477 1.102 1.00 0.00 O ATOM 1620 CB LEU B 224 90.663 -8.138 -0.671 1.00 0.00 C ATOM 1621 CG LEU B 224 91.909 -7.275 -0.406 1.00 0.00 C ATOM 1622 CD1 LEU B 224 92.272 -6.489 -1.668 1.00 0.00 C ATOM 1623 CD2 LEU B 224 91.622 -6.284 0.729 1.00 0.00 C ATOM 0 H LEU B 224 92.162 -10.069 -0.543 1.00 0.00 H new ATOM 0 HA LEU B 224 90.616 -8.708 1.402 1.00 0.00 H new ATOM 0 HB2 LEU B 224 90.744 -8.622 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU B 224 89.773 -7.510 -0.701 1.00 0.00 H new ATOM 0 HG LEU B 224 92.736 -7.927 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU B 224 93.155 -5.879 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU B 224 92.481 -7.184 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU B 224 91.439 -5.844 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU B 224 92.507 -5.675 0.913 1.00 0.00 H new ATOM 0 HD22 LEU B 224 90.790 -5.639 0.447 1.00 0.00 H new ATOM 0 HD23 LEU B 224 91.365 -6.833 1.635 1.00 0.00 H new ATOM 1635 N SER B 225 89.015 -10.853 -0.510 1.00 0.00 N ATOM 1636 CA SER B 225 87.752 -11.579 -0.661 1.00 0.00 C ATOM 1637 C SER B 225 87.371 -12.281 0.640 1.00 0.00 C ATOM 1638 O SER B 225 86.190 -12.321 1.003 1.00 0.00 O ATOM 1639 CB SER B 225 87.870 -12.617 -1.773 1.00 0.00 C ATOM 1640 OG SER B 225 87.975 -11.951 -3.024 1.00 0.00 O ATOM 0 H SER B 225 89.762 -11.173 -1.126 1.00 0.00 H new ATOM 0 HA SER B 225 86.977 -10.856 -0.915 1.00 0.00 H new ATOM 0 HB2 SER B 225 88.744 -13.247 -1.608 1.00 0.00 H new ATOM 0 HB3 SER B 225 87.000 -13.273 -1.769 1.00 0.00 H new ATOM 0 HG SER B 225 88.907 -11.693 -3.180 1.00 0.00 H new ATOM 1646 N ARG B 226 88.376 -12.828 1.337 1.00 0.00 N ATOM 1647 CA ARG B 226 88.137 -13.522 2.603 1.00 0.00 C ATOM 1648 C ARG B 226 87.527 -12.573 3.621 1.00 0.00 C ATOM 1649 O ARG B 226 86.539 -12.909 4.269 1.00 0.00 O ATOM 1650 CB ARG B 226 89.443 -14.080 3.162 1.00 0.00 C ATOM 1651 CG ARG B 226 89.889 -15.272 2.321 1.00 0.00 C ATOM 1652 CD ARG B 226 91.208 -15.814 2.864 1.00 0.00 C ATOM 1653 NE ARG B 226 91.634 -16.982 2.078 1.00 0.00 N ATOM 1654 CZ ARG B 226 92.357 -16.878 0.945 1.00 0.00 C ATOM 1655 NH1 ARG B 226 92.732 -15.711 0.472 1.00 0.00 N ATOM 1656 NH2 ARG B 226 92.685 -17.963 0.298 1.00 0.00 N ATOM 0 H ARG B 226 89.353 -12.802 1.046 1.00 0.00 H new ATOM 0 HA ARG B 226 87.446 -14.343 2.412 1.00 0.00 H new ATOM 0 HB2 ARG B 226 90.213 -13.308 3.155 1.00 0.00 H new ATOM 0 HB3 ARG B 226 89.306 -14.384 4.200 1.00 0.00 H new ATOM 0 HG2 ARG B 226 89.127 -16.051 2.343 1.00 0.00 H new ATOM 0 HG3 ARG B 226 90.008 -14.972 1.280 1.00 0.00 H new ATOM 0 HD2 ARG B 226 91.973 -15.039 2.823 1.00 0.00 H new ATOM 0 HD3 ARG B 226 91.092 -16.093 3.911 1.00 0.00 H new ATOM 0 HE ARG B 226 91.371 -17.912 2.405 1.00 0.00 H new ATOM 0 HH11 ARG B 226 92.476 -14.855 0.964 1.00 0.00 H new ATOM 0 HH12 ARG B 226 93.279 -15.661 -0.388 1.00 0.00 H new ATOM 0 HH21 ARG B 226 92.394 -18.875 0.651 1.00 0.00 H new ATOM 0 HH22 ARG B 226 93.232 -17.899 -0.561 1.00 0.00 H new ATOM 1670 N GLU B 227 88.136 -11.387 3.749 1.00 0.00 N ATOM 1671 CA GLU B 227 87.670 -10.361 4.693 1.00 0.00 C ATOM 1672 C GLU B 227 86.138 -10.281 4.713 1.00 0.00 C ATOM 1673 O GLU B 227 85.528 -10.254 5.785 1.00 0.00 O ATOM 1674 CB GLU B 227 88.257 -9.001 4.305 1.00 0.00 C ATOM 1675 CG GLU B 227 89.777 -9.015 4.507 1.00 0.00 C ATOM 1676 CD GLU B 227 90.128 -9.135 5.991 1.00 0.00 C ATOM 1677 OE1 GLU B 227 91.139 -9.749 6.285 1.00 0.00 O ATOM 1678 OE2 GLU B 227 89.393 -8.602 6.810 1.00 0.00 O ATOM 0 H GLU B 227 88.956 -11.113 3.208 1.00 0.00 H new ATOM 0 HA GLU B 227 88.008 -10.635 5.692 1.00 0.00 H new ATOM 0 HB2 GLU B 227 88.021 -8.776 3.265 1.00 0.00 H new ATOM 0 HB3 GLU B 227 87.808 -8.214 4.911 1.00 0.00 H new ATOM 0 HG2 GLU B 227 90.214 -9.849 3.957 1.00 0.00 H new ATOM 0 HG3 GLU B 227 90.211 -8.102 4.099 1.00 0.00 H new ATOM 1685 N GLU B 228 85.538 -10.265 3.521 1.00 0.00 N ATOM 1686 CA GLU B 228 84.084 -10.215 3.398 1.00 0.00 C ATOM 1687 C GLU B 228 83.484 -11.568 3.756 1.00 0.00 C ATOM 1688 O GLU B 228 82.612 -11.644 4.620 1.00 0.00 O ATOM 1689 CB GLU B 228 83.682 -9.836 1.977 1.00 0.00 C ATOM 1690 CG GLU B 228 84.056 -8.371 1.711 1.00 0.00 C ATOM 1691 CD GLU B 228 83.723 -7.955 0.269 1.00 0.00 C ATOM 1692 OE1 GLU B 228 83.168 -8.758 -0.470 1.00 0.00 O ATOM 1693 OE2 GLU B 228 84.030 -6.826 -0.076 1.00 0.00 O ATOM 0 H GLU B 228 86.036 -10.286 2.631 1.00 0.00 H new ATOM 0 HA GLU B 228 83.705 -9.459 4.085 1.00 0.00 H new ATOM 0 HB2 GLU B 228 84.184 -10.486 1.260 1.00 0.00 H new ATOM 0 HB3 GLU B 228 82.610 -9.979 1.841 1.00 0.00 H new ATOM 0 HG2 GLU B 228 83.522 -7.726 2.409 1.00 0.00 H new ATOM 0 HG3 GLU B 228 85.121 -8.227 1.895 1.00 0.00 H new ATOM 1700 N LYS B 229 83.956 -12.630 3.078 1.00 0.00 N ATOM 1701 CA LYS B 229 83.452 -13.995 3.316 1.00 0.00 C ATOM 1702 C LYS B 229 83.271 -14.258 4.812 1.00 0.00 C ATOM 1703 O LYS B 229 82.172 -14.600 5.262 1.00 0.00 O ATOM 1704 CB LYS B 229 84.428 -15.029 2.734 1.00 0.00 C ATOM 1705 CG LYS B 229 84.368 -14.999 1.204 1.00 0.00 C ATOM 1706 CD LYS B 229 85.377 -15.996 0.633 1.00 0.00 C ATOM 1707 CE LYS B 229 85.307 -15.970 -0.894 1.00 0.00 C ATOM 1708 NZ LYS B 229 86.291 -16.940 -1.456 1.00 0.00 N ATOM 0 H LYS B 229 84.682 -12.570 2.364 1.00 0.00 H new ATOM 0 HA LYS B 229 82.484 -14.086 2.823 1.00 0.00 H new ATOM 0 HB2 LYS B 229 85.442 -14.815 3.071 1.00 0.00 H new ATOM 0 HB3 LYS B 229 84.175 -16.025 3.097 1.00 0.00 H new ATOM 0 HG2 LYS B 229 83.363 -15.248 0.864 1.00 0.00 H new ATOM 0 HG3 LYS B 229 84.588 -13.995 0.841 1.00 0.00 H new ATOM 0 HD2 LYS B 229 86.383 -15.743 0.966 1.00 0.00 H new ATOM 0 HD3 LYS B 229 85.162 -16.999 1.001 1.00 0.00 H new ATOM 0 HE2 LYS B 229 84.300 -16.224 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS B 229 85.520 -14.966 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 86.242 -16.921 -2.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 87.250 -16.679 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 86.068 -17.897 -1.116 1.00 0.00 H new ATOM 1722 N LYS B 230 84.354 -14.082 5.569 1.00 0.00 N ATOM 1723 CA LYS B 230 84.314 -14.286 7.010 1.00 0.00 C ATOM 1724 C LYS B 230 83.457 -13.216 7.676 1.00 0.00 C ATOM 1725 O LYS B 230 82.561 -13.541 8.450 1.00 0.00 O ATOM 1726 CB LYS B 230 85.727 -14.231 7.586 1.00 0.00 C ATOM 1727 CG LYS B 230 86.506 -15.458 7.115 1.00 0.00 C ATOM 1728 CD LYS B 230 87.930 -15.401 7.667 1.00 0.00 C ATOM 1729 CE LYS B 230 88.704 -16.632 7.194 1.00 0.00 C ATOM 1730 NZ LYS B 230 90.107 -16.555 7.690 1.00 0.00 N ATOM 0 H LYS B 230 85.265 -13.800 5.207 1.00 0.00 H new ATOM 0 HA LYS B 230 83.878 -15.266 7.206 1.00 0.00 H new ATOM 0 HB2 LYS B 230 86.230 -13.319 7.263 1.00 0.00 H new ATOM 0 HB3 LYS B 230 85.689 -14.205 8.675 1.00 0.00 H new ATOM 0 HG2 LYS B 230 86.010 -16.368 7.452 1.00 0.00 H new ATOM 0 HG3 LYS B 230 86.528 -15.492 6.026 1.00 0.00 H new ATOM 0 HD2 LYS B 230 88.428 -14.492 7.329 1.00 0.00 H new ATOM 0 HD3 LYS B 230 87.909 -15.366 8.756 1.00 0.00 H new ATOM 0 HE2 LYS B 230 88.226 -17.540 7.562 1.00 0.00 H new ATOM 0 HE3 LYS B 230 88.694 -16.686 6.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 90.635 -17.392 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 90.560 -15.696 7.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 90.106 -16.524 8.730 1.00 0.00 H new ATOM 1744 N GLU B 231 83.736 -11.942 7.355 1.00 0.00 N ATOM 1745 CA GLU B 231 82.989 -10.807 7.924 1.00 0.00 C ATOM 1746 C GLU B 231 83.187 -10.730 9.451 1.00 0.00 C ATOM 1747 O GLU B 231 83.920 -9.866 9.945 1.00 0.00 O ATOM 1748 CB GLU B 231 81.493 -10.931 7.566 1.00 0.00 C ATOM 1749 CG GLU B 231 80.726 -9.688 8.035 1.00 0.00 C ATOM 1750 CD GLU B 231 79.234 -9.791 7.688 1.00 0.00 C ATOM 1751 OE1 GLU B 231 78.454 -9.112 8.339 1.00 0.00 O ATOM 1752 OE2 GLU B 231 78.888 -10.529 6.776 1.00 0.00 O ATOM 0 H GLU B 231 84.474 -11.672 6.704 1.00 0.00 H new ATOM 0 HA GLU B 231 83.374 -9.882 7.494 1.00 0.00 H new ATOM 0 HB2 GLU B 231 81.379 -11.051 6.489 1.00 0.00 H new ATOM 0 HB3 GLU B 231 81.074 -11.822 8.032 1.00 0.00 H new ATOM 0 HG2 GLU B 231 80.844 -9.570 9.112 1.00 0.00 H new ATOM 0 HG3 GLU B 231 81.150 -8.799 7.568 1.00 0.00 H new ATOM 1759 N SER B 232 82.525 -11.627 10.183 1.00 0.00 N ATOM 1760 CA SER B 232 82.620 -11.664 11.629 1.00 0.00 C ATOM 1761 C SER B 232 82.188 -13.033 12.130 1.00 0.00 C ATOM 1762 O SER B 232 81.578 -13.811 11.389 1.00 0.00 O ATOM 1763 CB SER B 232 81.721 -10.583 12.219 1.00 0.00 C ATOM 1764 OG SER B 232 81.796 -10.625 13.637 1.00 0.00 O ATOM 0 H SER B 232 81.914 -12.341 9.786 1.00 0.00 H new ATOM 0 HA SER B 232 83.650 -11.482 11.937 1.00 0.00 H new ATOM 0 HB2 SER B 232 82.029 -9.602 11.857 1.00 0.00 H new ATOM 0 HB3 SER B 232 80.692 -10.734 11.894 1.00 0.00 H new ATOM 0 HG SER B 232 81.219 -9.929 14.016 1.00 0.00 H new ATOM 1770 N LEU B 233 82.499 -13.307 13.388 1.00 0.00 N ATOM 1771 CA LEU B 233 82.134 -14.570 14.014 1.00 0.00 C ATOM 1772 C LEU B 233 81.041 -14.328 15.025 1.00 0.00 C ATOM 1773 O LEU B 233 81.291 -13.617 16.004 1.00 0.00 O ATOM 1774 CB LEU B 233 83.340 -15.159 14.748 1.00 0.00 C ATOM 1775 CG LEU B 233 84.384 -15.619 13.738 1.00 0.00 C ATOM 1776 CD1 LEU B 233 85.706 -15.884 14.461 1.00 0.00 C ATOM 1777 CD2 LEU B 233 83.907 -16.915 13.069 1.00 0.00 C ATOM 0 H LEU B 233 83.007 -12.667 13.999 1.00 0.00 H new ATOM 0 HA LEU B 233 81.796 -15.260 13.241 1.00 0.00 H new ATOM 0 HB2 LEU B 233 83.771 -14.413 15.416 1.00 0.00 H new ATOM 0 HB3 LEU B 233 83.026 -15.999 15.368 1.00 0.00 H new ATOM 0 HG LEU B 233 84.526 -14.846 12.983 1.00 0.00 H new ATOM 0 HD11 LEU B 233 86.455 -16.213 13.741 1.00 0.00 H new ATOM 0 HD12 LEU B 233 86.046 -14.968 14.945 1.00 0.00 H new ATOM 0 HD13 LEU B 233 85.560 -16.659 15.213 1.00 0.00 H new ATOM 0 HD21 LEU B 233 84.652 -17.247 12.346 1.00 0.00 H new ATOM 0 HD22 LEU B 233 83.769 -17.686 13.827 1.00 0.00 H new ATOM 0 HD23 LEU B 233 82.961 -16.734 12.559 1.00 0.00 H new ATOM 1789 N ARG B 234 79.843 -14.916 14.771 1.00 0.00 N ATOM 1790 CA ARG B 234 78.645 -14.788 15.649 1.00 0.00 C ATOM 1791 C ARG B 234 78.897 -13.827 16.829 1.00 0.00 C ATOM 1792 O ARG B 234 78.524 -12.652 16.774 1.00 0.00 O ATOM 1793 CB ARG B 234 78.234 -16.179 16.170 1.00 0.00 C ATOM 1794 CG ARG B 234 77.629 -17.019 15.050 1.00 0.00 C ATOM 1795 CD ARG B 234 77.350 -18.423 15.587 1.00 0.00 C ATOM 1796 NE ARG B 234 76.359 -18.373 16.677 1.00 0.00 N ATOM 1797 CZ ARG B 234 75.997 -19.456 17.387 1.00 0.00 C ATOM 1798 NH1 ARG B 234 76.512 -20.639 17.144 1.00 0.00 N ATOM 1799 NH2 ARG B 234 75.115 -19.328 18.340 1.00 0.00 N ATOM 0 H ARG B 234 79.678 -15.495 13.948 1.00 0.00 H new ATOM 0 HA ARG B 234 77.835 -14.365 15.054 1.00 0.00 H new ATOM 0 HB2 ARG B 234 79.104 -16.689 16.584 1.00 0.00 H new ATOM 0 HB3 ARG B 234 77.513 -16.071 16.980 1.00 0.00 H new ATOM 0 HG2 ARG B 234 76.707 -16.562 14.690 1.00 0.00 H new ATOM 0 HG3 ARG B 234 78.313 -17.067 14.202 1.00 0.00 H new ATOM 0 HD2 ARG B 234 76.982 -19.060 14.782 1.00 0.00 H new ATOM 0 HD3 ARG B 234 78.275 -18.870 15.950 1.00 0.00 H new ATOM 0 HE ARG B 234 75.928 -17.476 16.903 1.00 0.00 H new ATOM 0 HH11 ARG B 234 77.203 -20.752 16.402 1.00 0.00 H new ATOM 0 HH12 ARG B 234 76.221 -21.445 17.697 1.00 0.00 H new ATOM 0 HH21 ARG B 234 74.708 -18.414 18.539 1.00 0.00 H new ATOM 0 HH22 ARG B 234 74.832 -20.142 18.886 1.00 0.00 H new ATOM 1813 N SER B 235 79.551 -14.346 17.874 1.00 0.00 N ATOM 1814 CA SER B 235 79.888 -13.562 19.043 1.00 0.00 C ATOM 1815 C SER B 235 81.327 -13.851 19.445 1.00 0.00 C ATOM 1816 O SER B 235 81.836 -14.953 19.209 1.00 0.00 O ATOM 1817 CB SER B 235 78.951 -13.912 20.188 1.00 0.00 C ATOM 1818 OG SER B 235 77.643 -13.463 19.869 1.00 0.00 O ATOM 0 H SER B 235 79.856 -15.318 17.923 1.00 0.00 H new ATOM 0 HA SER B 235 79.782 -12.502 18.812 1.00 0.00 H new ATOM 0 HB2 SER B 235 78.949 -14.989 20.357 1.00 0.00 H new ATOM 0 HB3 SER B 235 79.294 -13.446 21.111 1.00 0.00 H new ATOM 0 HG SER B 235 77.032 -13.687 20.602 1.00 0.00 H new ATOM 1824 N SER B 236 81.968 -12.857 20.050 1.00 0.00 N ATOM 1825 CA SER B 236 83.347 -12.995 20.495 1.00 0.00 C ATOM 1826 C SER B 236 83.410 -13.893 21.722 1.00 0.00 C ATOM 1827 O SER B 236 82.495 -13.893 22.548 1.00 0.00 O ATOM 1828 CB SER B 236 83.930 -11.621 20.831 1.00 0.00 C ATOM 1829 OG SER B 236 85.202 -11.789 21.442 1.00 0.00 O ATOM 0 H SER B 236 81.552 -11.946 20.243 1.00 0.00 H new ATOM 0 HA SER B 236 83.932 -13.444 19.692 1.00 0.00 H new ATOM 0 HB2 SER B 236 84.025 -11.022 19.925 1.00 0.00 H new ATOM 0 HB3 SER B 236 83.260 -11.082 21.501 1.00 0.00 H new ATOM 0 HG SER B 236 85.580 -10.911 21.657 1.00 0.00 H new ATOM 1835 N VAL B 237 84.495 -14.657 21.828 1.00 0.00 N ATOM 1836 CA VAL B 237 84.691 -15.572 22.957 1.00 0.00 C ATOM 1837 C VAL B 237 85.973 -15.223 23.707 1.00 0.00 C ATOM 1838 O VAL B 237 87.031 -15.064 23.094 1.00 0.00 O ATOM 1839 CB VAL B 237 84.758 -17.031 22.467 1.00 0.00 C ATOM 1840 CG1 VAL B 237 83.411 -17.429 21.862 1.00 0.00 C ATOM 1841 CG2 VAL B 237 85.856 -17.191 21.404 1.00 0.00 C ATOM 0 H VAL B 237 85.254 -14.663 21.147 1.00 0.00 H new ATOM 0 HA VAL B 237 83.842 -15.465 23.632 1.00 0.00 H new ATOM 0 HB VAL B 237 84.989 -17.674 23.316 1.00 0.00 H new ATOM 0 HG11 VAL B 237 83.459 -18.461 21.515 1.00 0.00 H new ATOM 0 HG12 VAL B 237 82.631 -17.336 22.618 1.00 0.00 H new ATOM 0 HG13 VAL B 237 83.182 -16.774 21.021 1.00 0.00 H new ATOM 0 HG21 VAL B 237 85.890 -18.228 21.069 1.00 0.00 H new ATOM 0 HG22 VAL B 237 85.638 -16.542 20.556 1.00 0.00 H new ATOM 0 HG23 VAL B 237 86.820 -16.917 21.833 1.00 0.00 H new ATOM 1851 N HIS B 238 85.866 -15.109 25.033 1.00 0.00 N ATOM 1852 CA HIS B 238 87.022 -14.780 25.866 1.00 0.00 C ATOM 1853 C HIS B 238 88.066 -15.893 25.796 1.00 0.00 C ATOM 1854 O HIS B 238 89.267 -15.620 25.712 1.00 0.00 O ATOM 1855 CB HIS B 238 86.578 -14.588 27.319 1.00 0.00 C ATOM 1856 CG HIS B 238 85.835 -13.285 27.458 1.00 0.00 C ATOM 1857 ND1 HIS B 238 84.511 -13.141 27.072 1.00 0.00 N ATOM 1858 CD2 HIS B 238 86.216 -12.058 27.945 1.00 0.00 C ATOM 1859 CE1 HIS B 238 84.147 -11.871 27.329 1.00 0.00 C ATOM 1860 NE2 HIS B 238 85.150 -11.168 27.863 1.00 0.00 N ATOM 0 H HIS B 238 84.996 -15.239 25.549 1.00 0.00 H new ATOM 0 HA HIS B 238 87.465 -13.856 25.494 1.00 0.00 H new ATOM 0 HB2 HIS B 238 85.939 -15.416 27.626 1.00 0.00 H new ATOM 0 HB3 HIS B 238 87.446 -14.594 27.978 1.00 0.00 H new ATOM 0 HD2 HIS B 238 87.195 -11.820 28.333 1.00 0.00 H new ATOM 0 HE1 HIS B 238 83.165 -11.469 27.128 1.00 0.00 H new ATOM 0 HE2 HIS B 238 85.137 -10.189 28.149 1.00 0.00 H new ATOM 1868 N LYS B 239 87.596 -17.140 25.826 1.00 0.00 N ATOM 1869 CA LYS B 239 88.485 -18.298 25.763 1.00 0.00 C ATOM 1870 C LYS B 239 88.856 -18.609 24.317 1.00 0.00 C ATOM 1871 O LYS B 239 88.038 -18.435 23.410 1.00 0.00 O ATOM 1872 CB LYS B 239 87.806 -19.518 26.384 1.00 0.00 C ATOM 1873 CG LYS B 239 87.638 -19.295 27.886 1.00 0.00 C ATOM 1874 CD LYS B 239 86.963 -20.516 28.511 1.00 0.00 C ATOM 1875 CE LYS B 239 86.858 -20.315 30.025 1.00 0.00 C ATOM 1876 NZ LYS B 239 85.940 -19.172 30.332 1.00 0.00 N ATOM 0 H LYS B 239 86.605 -17.373 25.893 1.00 0.00 H new ATOM 0 HA LYS B 239 89.391 -18.063 26.321 1.00 0.00 H new ATOM 0 HB2 LYS B 239 86.834 -19.683 25.919 1.00 0.00 H new ATOM 0 HB3 LYS B 239 88.403 -20.412 26.202 1.00 0.00 H new ATOM 0 HG2 LYS B 239 88.610 -19.126 28.350 1.00 0.00 H new ATOM 0 HG3 LYS B 239 87.039 -18.403 28.067 1.00 0.00 H new ATOM 0 HD2 LYS B 239 85.971 -20.657 28.082 1.00 0.00 H new ATOM 0 HD3 LYS B 239 87.537 -21.416 28.291 1.00 0.00 H new ATOM 0 HE2 LYS B 239 86.487 -21.226 30.495 1.00 0.00 H new ATOM 0 HE3 LYS B 239 87.846 -20.120 30.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 85.661 -19.210 31.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 86.429 -18.274 30.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 85.092 -19.238 29.734 1.00 0.00 H new ATOM 1890 N ARG B 240 90.093 -19.069 24.113 1.00 0.00 N ATOM 1891 CA ARG B 240 90.575 -19.404 22.773 1.00 0.00 C ATOM 1892 C ARG B 240 90.435 -18.203 21.833 1.00 0.00 C ATOM 1893 O ARG B 240 91.416 -17.500 21.659 1.00 0.00 O ATOM 1894 CB ARG B 240 89.791 -20.599 22.216 1.00 0.00 C ATOM 1895 CG ARG B 240 90.161 -21.870 22.984 1.00 0.00 C ATOM 1896 CD ARG B 240 89.274 -23.027 22.511 1.00 0.00 C ATOM 1897 NE ARG B 240 89.520 -23.307 21.087 1.00 0.00 N ATOM 1898 CZ ARG B 240 90.500 -24.125 20.660 1.00 0.00 C ATOM 1899 NH1 ARG B 240 91.309 -24.727 21.499 1.00 0.00 N ATOM 1900 NH2 ARG B 240 90.652 -24.317 19.377 1.00 0.00 N ATOM 1901 OXT ARG B 240 89.351 -18.001 21.304 1.00 0.00 O ATOM 0 H ARG B 240 90.776 -19.217 24.856 1.00 0.00 H new ATOM 0 HA ARG B 240 91.630 -19.669 22.842 1.00 0.00 H new ATOM 0 HB2 ARG B 240 88.720 -20.413 22.299 1.00 0.00 H new ATOM 0 HB3 ARG B 240 90.011 -20.727 21.156 1.00 0.00 H new ATOM 0 HG2 ARG B 240 91.211 -22.113 22.823 1.00 0.00 H new ATOM 0 HG3 ARG B 240 90.031 -21.712 24.055 1.00 0.00 H new ATOM 0 HD2 ARG B 240 89.478 -23.918 23.105 1.00 0.00 H new ATOM 0 HD3 ARG B 240 88.224 -22.776 22.664 1.00 0.00 H new ATOM 0 HE ARG B 240 88.921 -22.861 20.392 1.00 0.00 H new ATOM 0 HH11 ARG B 240 91.204 -24.580 22.503 1.00 0.00 H new ATOM 0 HH12 ARG B 240 92.043 -25.342 21.147 1.00 0.00 H new ATOM 0 HH21 ARG B 240 90.033 -23.850 18.715 1.00 0.00 H new ATOM 0 HH22 ARG B 240 91.390 -24.934 19.038 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 96.955 -12.219 2.993 1.00 0.00 ZN