USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=23 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: A 22 THR OG1 : rot 180:sc= -1.19 USER MOD Set 1.2: A 25 ASN : amide:sc= -1.25 K(o=-2.4,f=-1.2!) USER MOD Set 2.1: A 7 THR OG1 : rot 119:sc= 0.433 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.831 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.69 (180deg=1.47) USER MOD Single : A 2 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.29) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0984) USER MOD Single : A 11 LYS NZ :NH3+ -113:sc= 0.846 (180deg=-0.19) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -80:sc= 1.85 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+ 177:sc=-0.00209 (180deg=-0.0154) USER MOD Single : A 31 GLN : amide:sc= -0.767 K(o=-0.77,f=-2.5!) USER MOD Single : A 33 LYS NZ :NH3+ -122:sc= -0.445 (180deg=-3.47!) USER MOD Single : A 40 GLN : amide:sc= -1.63 K(o=-1.6,f=-5.2!) USER MOD Single : A 41 GLN : amide:sc= -2.59 K(o=-2.6,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 55 THR OG1 : rot -66:sc= 0.864 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.835 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.739 K(o=-0.74,f=-0.15) USER MOD Single : B 198 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.24) USER MOD Single : B 200 THR OG1 : rot 180:sc= 0 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= -0.883 K(o=-0.88,f=-5.1!) USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 217 ASN : amide:sc= -1.42 K(o=-1.4,f=-11!) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot -51:sc= 0.347 USER MOD Single : B 225 SER OG : rot 113:sc= 1.13 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= -0.26 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=-0.0035) USER MOD Single : B 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.577 16.309 10.241 1.00 0.00 N ATOM 2 CA MET A 1 96.749 14.981 10.903 1.00 0.00 C ATOM 3 C MET A 1 98.000 14.297 10.365 1.00 0.00 C ATOM 4 O MET A 1 98.068 13.919 9.192 1.00 0.00 O ATOM 5 CB MET A 1 95.510 14.113 10.650 1.00 0.00 C ATOM 6 CG MET A 1 95.641 12.761 11.363 1.00 0.00 C ATOM 7 SD MET A 1 93.999 12.030 11.588 1.00 0.00 S ATOM 8 CE MET A 1 93.932 11.104 10.038 1.00 0.00 C ATOM 0 H1 MET A 1 95.618 16.666 10.424 1.00 0.00 H new ATOM 0 H2 MET A 1 97.275 16.980 10.622 1.00 0.00 H new ATOM 0 H3 MET A 1 96.719 16.207 9.216 1.00 0.00 H new ATOM 0 HA MET A 1 96.863 15.122 11.978 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.618 14.631 11.003 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.383 13.954 9.579 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.272 12.090 10.779 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.126 12.894 12.330 1.00 0.00 H new ATOM 0 HE1 MET A 1 92.984 10.570 9.974 1.00 0.00 H new ATOM 0 HE2 MET A 1 94.018 11.794 9.198 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.754 10.389 10.006 1.00 0.00 H new ATOM 20 N GLN A 2 98.973 14.139 11.250 1.00 0.00 N ATOM 21 CA GLN A 2 100.230 13.491 10.892 1.00 0.00 C ATOM 22 C GLN A 2 100.086 11.986 11.031 1.00 0.00 C ATOM 23 O GLN A 2 99.785 11.475 12.113 1.00 0.00 O ATOM 24 CB GLN A 2 101.375 13.989 11.780 1.00 0.00 C ATOM 25 CG GLN A 2 102.708 13.434 11.269 1.00 0.00 C ATOM 26 CD GLN A 2 103.863 14.057 12.043 1.00 0.00 C ATOM 27 OE1 GLN A 2 103.999 15.280 12.077 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.699 13.287 12.680 1.00 0.00 N ATOM 0 H GLN A 2 98.918 14.449 12.220 1.00 0.00 H new ATOM 0 HA GLN A 2 100.466 13.742 9.858 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.400 15.079 11.779 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.211 13.675 12.811 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.727 12.350 11.381 1.00 0.00 H new ATOM 0 HG3 GLN A 2 102.816 13.646 10.205 1.00 0.00 H new ATOM 0 HE21 GLN A 2 104.584 12.274 12.650 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.469 13.697 13.209 1.00 0.00 H new ATOM 37 N ILE A 3 100.311 11.294 9.923 1.00 0.00 N ATOM 38 CA ILE A 3 100.223 9.841 9.886 1.00 0.00 C ATOM 39 C ILE A 3 101.529 9.273 9.358 1.00 0.00 C ATOM 40 O ILE A 3 102.321 9.995 8.751 1.00 0.00 O ATOM 41 CB ILE A 3 99.040 9.387 9.007 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.200 9.935 7.574 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.729 9.901 9.622 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.204 9.250 6.630 1.00 0.00 C ATOM 0 H ILE A 3 100.558 11.720 9.030 1.00 0.00 H new ATOM 0 HA ILE A 3 100.050 9.468 10.895 1.00 0.00 H new ATOM 0 HB ILE A 3 99.020 8.298 8.961 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.035 11.012 7.568 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.218 9.767 7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 3 96.889 9.583 9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.615 9.495 10.627 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.752 10.990 9.671 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.327 9.646 5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.389 8.176 6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.187 9.441 6.973 1.00 0.00 H new ATOM 56 N PHE A 4 101.747 7.989 9.600 1.00 0.00 N ATOM 57 CA PHE A 4 102.968 7.324 9.155 1.00 0.00 C ATOM 58 C PHE A 4 102.613 6.194 8.203 1.00 0.00 C ATOM 59 O PHE A 4 101.632 5.481 8.420 1.00 0.00 O ATOM 60 CB PHE A 4 103.721 6.741 10.356 1.00 0.00 C ATOM 61 CG PHE A 4 104.101 7.842 11.319 1.00 0.00 C ATOM 62 CD1 PHE A 4 105.312 8.525 11.166 1.00 0.00 C ATOM 63 CD2 PHE A 4 103.231 8.178 12.362 1.00 0.00 C ATOM 64 CE1 PHE A 4 105.651 9.549 12.059 1.00 0.00 C ATOM 65 CE2 PHE A 4 103.570 9.199 13.253 1.00 0.00 C ATOM 66 CZ PHE A 4 104.780 9.886 13.103 1.00 0.00 C ATOM 0 H PHE A 4 101.096 7.385 10.102 1.00 0.00 H new ATOM 0 HA PHE A 4 103.600 8.054 8.650 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.098 6.004 10.862 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.616 6.221 10.015 1.00 0.00 H new ATOM 0 HD1 PHE A 4 105.984 8.263 10.362 1.00 0.00 H new ATOM 0 HD2 PHE A 4 102.297 7.648 12.478 1.00 0.00 H new ATOM 0 HE1 PHE A 4 106.585 10.079 11.943 1.00 0.00 H new ATOM 0 HE2 PHE A 4 102.898 9.458 14.058 1.00 0.00 H new ATOM 0 HZ PHE A 4 105.042 10.676 13.792 1.00 0.00 H new ATOM 76 N VAL A 5 103.424 6.028 7.163 1.00 0.00 N ATOM 77 CA VAL A 5 103.206 4.965 6.185 1.00 0.00 C ATOM 78 C VAL A 5 104.423 4.046 6.201 1.00 0.00 C ATOM 79 O VAL A 5 105.564 4.517 6.204 1.00 0.00 O ATOM 80 CB VAL A 5 102.971 5.554 4.780 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.723 4.431 3.764 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.750 6.481 4.803 1.00 0.00 C ATOM 0 H VAL A 5 104.237 6.614 6.975 1.00 0.00 H new ATOM 0 HA VAL A 5 102.314 4.396 6.445 1.00 0.00 H new ATOM 0 HB VAL A 5 103.859 6.115 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.559 4.863 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.590 3.771 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.844 3.860 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.588 6.895 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.870 5.916 5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 5 101.923 7.293 5.510 1.00 0.00 H new ATOM 92 N LYS A 6 104.168 2.739 6.222 1.00 0.00 N ATOM 93 CA LYS A 6 105.242 1.751 6.254 1.00 0.00 C ATOM 94 C LYS A 6 105.139 0.801 5.067 1.00 0.00 C ATOM 95 O LYS A 6 104.153 0.074 4.927 1.00 0.00 O ATOM 96 CB LYS A 6 105.166 0.948 7.557 1.00 0.00 C ATOM 97 CG LYS A 6 106.415 0.072 7.700 1.00 0.00 C ATOM 98 CD LYS A 6 106.363 -0.687 9.027 1.00 0.00 C ATOM 99 CE LYS A 6 107.593 -1.589 9.144 1.00 0.00 C ATOM 100 NZ LYS A 6 108.793 -0.756 9.439 1.00 0.00 N ATOM 0 H LYS A 6 103.229 2.341 6.217 1.00 0.00 H new ATOM 0 HA LYS A 6 106.195 2.277 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.086 1.625 8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.271 0.325 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.475 -0.632 6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.312 0.691 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.333 0.016 9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.453 -1.285 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 6 107.444 -2.324 9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 6 107.741 -2.143 8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 109.583 -1.372 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 109.058 -0.216 8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 108.577 -0.098 10.214 1.00 0.00 H new ATOM 114 N THR A 7 106.163 0.827 4.216 1.00 0.00 N ATOM 115 CA THR A 7 106.190 -0.023 3.030 1.00 0.00 C ATOM 116 C THR A 7 106.611 -1.440 3.408 1.00 0.00 C ATOM 117 O THR A 7 107.140 -1.670 4.498 1.00 0.00 O ATOM 118 CB THR A 7 107.178 0.537 1.994 1.00 0.00 C ATOM 119 OG1 THR A 7 108.484 0.542 2.549 1.00 0.00 O ATOM 120 CG2 THR A 7 106.791 1.967 1.595 1.00 0.00 C ATOM 0 H THR A 7 106.982 1.426 4.326 1.00 0.00 H new ATOM 0 HA THR A 7 105.189 -0.043 2.600 1.00 0.00 H new ATOM 0 HB THR A 7 107.150 -0.094 1.105 1.00 0.00 H new ATOM 0 HG1 THR A 7 109.071 -0.027 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.503 2.345 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 7 105.790 1.966 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 7 106.805 2.607 2.477 1.00 0.00 H new ATOM 128 N LEU A 8 106.359 -2.381 2.499 1.00 0.00 N ATOM 129 CA LEU A 8 106.697 -3.788 2.722 1.00 0.00 C ATOM 130 C LEU A 8 108.208 -3.988 2.857 1.00 0.00 C ATOM 131 O LEU A 8 108.658 -4.957 3.474 1.00 0.00 O ATOM 132 CB LEU A 8 106.182 -4.632 1.551 1.00 0.00 C ATOM 133 CG LEU A 8 104.648 -4.568 1.478 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.179 -5.195 0.162 1.00 0.00 C ATOM 135 CD2 LEU A 8 104.032 -5.336 2.654 1.00 0.00 C ATOM 0 H LEU A 8 105.920 -2.194 1.597 1.00 0.00 H new ATOM 0 HA LEU A 8 106.224 -4.102 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.612 -4.270 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.504 -5.666 1.671 1.00 0.00 H new ATOM 0 HG LEU A 8 104.331 -3.526 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 8 103.091 -5.152 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.608 -4.645 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.504 -6.235 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 8 102.945 -5.284 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.349 -6.378 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.364 -4.892 3.592 1.00 0.00 H new ATOM 147 N THR A 9 108.980 -3.067 2.279 1.00 0.00 N ATOM 148 CA THR A 9 110.441 -3.140 2.332 1.00 0.00 C ATOM 149 C THR A 9 110.978 -2.704 3.704 1.00 0.00 C ATOM 150 O THR A 9 112.133 -2.986 4.035 1.00 0.00 O ATOM 151 CB THR A 9 111.042 -2.258 1.229 1.00 0.00 C ATOM 152 OG1 THR A 9 110.578 -0.925 1.390 1.00 0.00 O ATOM 153 CG2 THR A 9 110.617 -2.788 -0.149 1.00 0.00 C ATOM 0 H THR A 9 108.618 -2.261 1.769 1.00 0.00 H new ATOM 0 HA THR A 9 110.735 -4.178 2.174 1.00 0.00 H new ATOM 0 HB THR A 9 112.129 -2.278 1.300 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.961 -0.358 0.688 1.00 0.00 H new ATOM 0 HG21 THR A 9 111.046 -2.159 -0.929 1.00 0.00 H new ATOM 0 HG22 THR A 9 110.973 -3.811 -0.271 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.530 -2.771 -0.226 1.00 0.00 H new ATOM 161 N GLY A 10 110.136 -2.025 4.495 1.00 0.00 N ATOM 162 CA GLY A 10 110.533 -1.564 5.829 1.00 0.00 C ATOM 163 C GLY A 10 110.709 -0.041 5.895 1.00 0.00 C ATOM 164 O GLY A 10 110.815 0.520 6.990 1.00 0.00 O ATOM 0 H GLY A 10 109.180 -1.784 4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.781 -1.872 6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.467 -2.047 6.114 1.00 0.00 H new ATOM 168 N LYS A 11 110.730 0.623 4.731 1.00 0.00 N ATOM 169 CA LYS A 11 110.886 2.075 4.685 1.00 0.00 C ATOM 170 C LYS A 11 109.764 2.743 5.472 1.00 0.00 C ATOM 171 O LYS A 11 108.655 2.208 5.564 1.00 0.00 O ATOM 172 CB LYS A 11 110.866 2.570 3.233 1.00 0.00 C ATOM 173 CG LYS A 11 111.173 4.073 3.192 1.00 0.00 C ATOM 174 CD LYS A 11 111.194 4.553 1.746 1.00 0.00 C ATOM 175 CE LYS A 11 111.519 6.047 1.710 1.00 0.00 C ATOM 176 NZ LYS A 11 110.408 6.811 2.344 1.00 0.00 N ATOM 0 H LYS A 11 110.641 0.178 3.818 1.00 0.00 H new ATOM 0 HA LYS A 11 111.845 2.336 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.601 2.023 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 11 109.891 2.376 2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.421 4.623 3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.135 4.271 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 11 111.937 3.994 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.228 4.369 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 11 112.454 6.240 2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.659 6.375 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 109.927 7.386 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 109.728 6.148 2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 110.792 7.433 3.084 1.00 0.00 H new ATOM 190 N THR A 12 110.065 3.917 6.030 1.00 0.00 N ATOM 191 CA THR A 12 109.080 4.666 6.807 1.00 0.00 C ATOM 192 C THR A 12 109.033 6.125 6.356 1.00 0.00 C ATOM 193 O THR A 12 110.064 6.799 6.287 1.00 0.00 O ATOM 194 CB THR A 12 109.418 4.592 8.299 1.00 0.00 C ATOM 195 OG1 THR A 12 109.645 3.237 8.660 1.00 0.00 O ATOM 196 CG2 THR A 12 108.245 5.138 9.117 1.00 0.00 C ATOM 0 H THR A 12 110.978 4.366 5.958 1.00 0.00 H new ATOM 0 HA THR A 12 108.100 4.219 6.640 1.00 0.00 H new ATOM 0 HB THR A 12 110.311 5.184 8.499 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.863 3.185 9.614 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.486 5.085 10.179 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.059 6.175 8.838 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.354 4.543 8.917 1.00 0.00 H new ATOM 204 N ILE A 13 107.825 6.594 6.063 1.00 0.00 N ATOM 205 CA ILE A 13 107.603 7.971 5.626 1.00 0.00 C ATOM 206 C ILE A 13 106.441 8.574 6.410 1.00 0.00 C ATOM 207 O ILE A 13 105.355 7.991 6.473 1.00 0.00 O ATOM 208 CB ILE A 13 107.308 8.013 4.103 1.00 0.00 C ATOM 209 CG1 ILE A 13 107.000 9.465 3.647 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.116 7.098 3.771 1.00 0.00 C ATOM 211 CD1 ILE A 13 106.819 9.530 2.122 1.00 0.00 C ATOM 0 H ILE A 13 106.974 6.034 6.121 1.00 0.00 H new ATOM 0 HA ILE A 13 108.503 8.556 5.816 1.00 0.00 H new ATOM 0 HB ILE A 13 108.191 7.659 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.096 9.822 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.812 10.126 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 13 105.917 7.134 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.351 6.074 4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.235 7.437 4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.604 10.556 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.733 9.194 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 13 105.991 8.886 1.826 1.00 0.00 H new ATOM 223 N THR A 14 106.673 9.758 6.972 1.00 0.00 N ATOM 224 CA THR A 14 105.632 10.458 7.716 1.00 0.00 C ATOM 225 C THR A 14 104.911 11.377 6.750 1.00 0.00 C ATOM 226 O THR A 14 105.540 12.203 6.084 1.00 0.00 O ATOM 227 CB THR A 14 106.223 11.277 8.860 1.00 0.00 C ATOM 228 OG1 THR A 14 107.098 10.461 9.627 1.00 0.00 O ATOM 229 CG2 THR A 14 105.093 11.797 9.753 1.00 0.00 C ATOM 0 H THR A 14 107.566 10.249 6.927 1.00 0.00 H new ATOM 0 HA THR A 14 104.947 9.731 8.152 1.00 0.00 H new ATOM 0 HB THR A 14 106.780 12.120 8.452 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.573 9.905 10.240 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.515 12.382 10.570 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.424 12.425 9.165 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.534 10.954 10.161 1.00 0.00 H new ATOM 237 N LEU A 15 103.604 11.189 6.640 1.00 0.00 N ATOM 238 CA LEU A 15 102.795 11.957 5.704 1.00 0.00 C ATOM 239 C LEU A 15 101.801 12.848 6.432 1.00 0.00 C ATOM 240 O LEU A 15 101.111 12.406 7.355 1.00 0.00 O ATOM 241 CB LEU A 15 102.059 10.976 4.791 1.00 0.00 C ATOM 242 CG LEU A 15 101.439 11.690 3.587 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.534 12.181 2.631 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.546 10.696 2.847 1.00 0.00 C ATOM 0 H LEU A 15 103.079 10.509 7.190 1.00 0.00 H new ATOM 0 HA LEU A 15 103.443 12.609 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.752 10.210 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.278 10.467 5.356 1.00 0.00 H new ATOM 0 HG LEU A 15 100.864 12.549 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 15 102.075 12.686 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.190 12.876 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.116 11.330 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.094 11.185 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.144 9.849 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.762 10.343 3.517 1.00 0.00 H new ATOM 256 N GLU A 16 101.742 14.105 6.001 1.00 0.00 N ATOM 257 CA GLU A 16 100.835 15.078 6.598 1.00 0.00 C ATOM 258 C GLU A 16 99.555 15.162 5.771 1.00 0.00 C ATOM 259 O GLU A 16 99.575 15.617 4.625 1.00 0.00 O ATOM 260 CB GLU A 16 101.512 16.455 6.656 1.00 0.00 C ATOM 261 CG GLU A 16 100.632 17.439 7.445 1.00 0.00 C ATOM 262 CD GLU A 16 101.280 18.831 7.531 1.00 0.00 C ATOM 263 OE1 GLU A 16 102.190 19.109 6.762 1.00 0.00 O ATOM 264 OE2 GLU A 16 100.852 19.601 8.374 1.00 0.00 O ATOM 0 H GLU A 16 102.313 14.473 5.240 1.00 0.00 H new ATOM 0 HA GLU A 16 100.586 14.763 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 16 102.490 16.369 7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 16 101.678 16.831 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 16 99.656 17.520 6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 16 100.463 17.052 8.450 1.00 0.00 H new ATOM 271 N VAL A 17 98.451 14.715 6.367 1.00 0.00 N ATOM 272 CA VAL A 17 97.150 14.731 5.697 1.00 0.00 C ATOM 273 C VAL A 17 96.054 15.027 6.709 1.00 0.00 C ATOM 274 O VAL A 17 96.330 15.146 7.900 1.00 0.00 O ATOM 275 CB VAL A 17 96.877 13.387 4.995 1.00 0.00 C ATOM 276 CG1 VAL A 17 97.940 13.152 3.917 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.920 12.234 6.012 1.00 0.00 C ATOM 0 H VAL A 17 98.431 14.337 7.314 1.00 0.00 H new ATOM 0 HA VAL A 17 97.160 15.514 4.938 1.00 0.00 H new ATOM 0 HB VAL A 17 95.887 13.421 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.749 12.202 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 17 97.901 13.959 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 17 98.927 13.128 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.725 11.291 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.904 12.197 6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 17 96.161 12.396 6.777 1.00 0.00 H new ATOM 287 N GLU A 18 94.817 15.143 6.232 1.00 0.00 N ATOM 288 CA GLU A 18 93.684 15.418 7.115 1.00 0.00 C ATOM 289 C GLU A 18 92.655 14.278 7.032 1.00 0.00 C ATOM 290 O GLU A 18 92.555 13.629 5.988 1.00 0.00 O ATOM 291 CB GLU A 18 93.018 16.740 6.721 1.00 0.00 C ATOM 292 CG GLU A 18 93.844 17.921 7.243 1.00 0.00 C ATOM 293 CD GLU A 18 93.589 18.116 8.734 1.00 0.00 C ATOM 294 OE1 GLU A 18 94.524 17.960 9.501 1.00 0.00 O ATOM 295 OE2 GLU A 18 92.460 18.421 9.086 1.00 0.00 O ATOM 0 H GLU A 18 94.573 15.052 5.246 1.00 0.00 H new ATOM 0 HA GLU A 18 94.052 15.492 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.926 16.801 5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 18 92.008 16.784 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 18 94.904 17.740 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 18 93.581 18.828 6.699 1.00 0.00 H new ATOM 302 N PRO A 19 91.884 14.016 8.091 1.00 0.00 N ATOM 303 CA PRO A 19 90.852 12.924 8.076 1.00 0.00 C ATOM 304 C PRO A 19 89.742 13.194 7.049 1.00 0.00 C ATOM 305 O PRO A 19 89.052 12.272 6.609 1.00 0.00 O ATOM 306 CB PRO A 19 90.294 12.916 9.504 1.00 0.00 C ATOM 307 CG PRO A 19 90.595 14.267 10.055 1.00 0.00 C ATOM 308 CD PRO A 19 91.896 14.712 9.401 1.00 0.00 C ATOM 0 HA PRO A 19 91.279 11.965 7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 19 89.222 12.721 9.505 1.00 0.00 H new ATOM 0 HB3 PRO A 19 90.761 12.134 10.104 1.00 0.00 H new ATOM 0 HG2 PRO A 19 89.789 14.966 9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 19 90.697 14.231 11.140 1.00 0.00 H new ATOM 0 HD2 PRO A 19 91.934 15.795 9.279 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.763 14.428 9.998 1.00 0.00 H new ATOM 316 N SER A 20 89.600 14.467 6.674 1.00 0.00 N ATOM 317 CA SER A 20 88.594 14.879 5.691 1.00 0.00 C ATOM 318 C SER A 20 89.093 14.670 4.254 1.00 0.00 C ATOM 319 O SER A 20 88.294 14.665 3.315 1.00 0.00 O ATOM 320 CB SER A 20 88.239 16.350 5.900 1.00 0.00 C ATOM 321 OG SER A 20 87.320 16.461 6.978 1.00 0.00 O ATOM 0 H SER A 20 90.169 15.232 7.036 1.00 0.00 H new ATOM 0 HA SER A 20 87.709 14.259 5.837 1.00 0.00 H new ATOM 0 HB2 SER A 20 89.139 16.927 6.113 1.00 0.00 H new ATOM 0 HB3 SER A 20 87.803 16.764 4.991 1.00 0.00 H new ATOM 0 HG SER A 20 87.091 17.404 7.117 1.00 0.00 H new ATOM 327 N ASP A 21 90.412 14.499 4.090 1.00 0.00 N ATOM 328 CA ASP A 21 91.002 14.292 2.770 1.00 0.00 C ATOM 329 C ASP A 21 90.650 12.910 2.239 1.00 0.00 C ATOM 330 O ASP A 21 90.550 11.950 3.008 1.00 0.00 O ATOM 331 CB ASP A 21 92.528 14.433 2.845 1.00 0.00 C ATOM 332 CG ASP A 21 92.933 15.874 3.177 1.00 0.00 C ATOM 333 OD1 ASP A 21 92.178 16.785 2.862 1.00 0.00 O ATOM 334 OD2 ASP A 21 94.000 16.045 3.743 1.00 0.00 O ATOM 0 H ASP A 21 91.085 14.501 4.856 1.00 0.00 H new ATOM 0 HA ASP A 21 90.600 15.047 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 21 92.922 13.757 3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 21 92.971 14.137 1.894 1.00 0.00 H new ATOM 339 N THR A 22 90.466 12.820 0.922 1.00 0.00 N ATOM 340 CA THR A 22 90.127 11.553 0.286 1.00 0.00 C ATOM 341 C THR A 22 91.381 10.708 0.084 1.00 0.00 C ATOM 342 O THR A 22 92.493 11.237 0.037 1.00 0.00 O ATOM 343 CB THR A 22 89.459 11.816 -1.067 1.00 0.00 C ATOM 344 OG1 THR A 22 90.332 12.587 -1.880 1.00 0.00 O ATOM 345 CG2 THR A 22 88.141 12.573 -0.867 1.00 0.00 C ATOM 0 H THR A 22 90.546 13.608 0.279 1.00 0.00 H new ATOM 0 HA THR A 22 89.437 11.010 0.932 1.00 0.00 H new ATOM 0 HB THR A 22 89.249 10.863 -1.553 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.908 12.756 -2.747 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.675 12.754 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.470 11.978 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.339 13.526 -0.376 1.00 0.00 H new ATOM 353 N ILE A 23 91.196 9.392 -0.014 1.00 0.00 N ATOM 354 CA ILE A 23 92.322 8.475 -0.187 1.00 0.00 C ATOM 355 C ILE A 23 93.064 8.825 -1.482 1.00 0.00 C ATOM 356 O ILE A 23 94.297 8.862 -1.499 1.00 0.00 O ATOM 357 CB ILE A 23 91.799 7.016 -0.214 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.184 6.645 1.165 1.00 0.00 C ATOM 359 CG2 ILE A 23 92.921 6.017 -0.573 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.216 6.715 2.313 1.00 0.00 C ATOM 0 H ILE A 23 90.283 8.939 0.023 1.00 0.00 H new ATOM 0 HA ILE A 23 93.019 8.571 0.645 1.00 0.00 H new ATOM 0 HB ILE A 23 91.032 6.952 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.357 7.320 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 23 90.769 5.638 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 23 92.517 5.005 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.321 6.257 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 23 93.718 6.083 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 23 91.734 6.447 3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 23 93.031 6.020 2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 23 92.612 7.728 2.385 1.00 0.00 H new ATOM 372 N GLU A 24 92.308 9.096 -2.550 1.00 0.00 N ATOM 373 CA GLU A 24 92.913 9.459 -3.835 1.00 0.00 C ATOM 374 C GLU A 24 93.811 10.695 -3.669 1.00 0.00 C ATOM 375 O GLU A 24 94.870 10.791 -4.297 1.00 0.00 O ATOM 376 CB GLU A 24 91.815 9.754 -4.864 1.00 0.00 C ATOM 377 CG GLU A 24 92.438 9.938 -6.259 1.00 0.00 C ATOM 378 CD GLU A 24 91.364 10.207 -7.324 1.00 0.00 C ATOM 379 OE1 GLU A 24 90.243 10.544 -6.965 1.00 0.00 O ATOM 380 OE2 GLU A 24 91.683 10.068 -8.493 1.00 0.00 O ATOM 0 H GLU A 24 91.288 9.072 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 24 93.520 8.624 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.094 8.937 -4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 24 91.270 10.654 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 24 93.145 10.767 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 24 93.002 9.045 -6.527 1.00 0.00 H new ATOM 387 N ASN A 25 93.388 11.615 -2.796 1.00 0.00 N ATOM 388 CA ASN A 25 94.165 12.826 -2.518 1.00 0.00 C ATOM 389 C ASN A 25 95.470 12.478 -1.799 1.00 0.00 C ATOM 390 O ASN A 25 96.514 13.079 -2.065 1.00 0.00 O ATOM 391 CB ASN A 25 93.349 13.812 -1.671 1.00 0.00 C ATOM 392 CG ASN A 25 92.350 14.579 -2.543 1.00 0.00 C ATOM 393 OD1 ASN A 25 92.558 14.745 -3.747 1.00 0.00 O ATOM 394 ND2 ASN A 25 91.271 15.065 -1.997 1.00 0.00 N ATOM 0 H ASN A 25 92.516 11.544 -2.272 1.00 0.00 H new ATOM 0 HA ASN A 25 94.404 13.297 -3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.816 13.272 -0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.019 14.514 -1.175 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.600 15.582 -2.566 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.097 14.929 -1.001 1.00 0.00 H new ATOM 401 N VAL A 26 95.392 11.512 -0.877 1.00 0.00 N ATOM 402 CA VAL A 26 96.560 11.085 -0.098 1.00 0.00 C ATOM 403 C VAL A 26 97.648 10.533 -1.025 1.00 0.00 C ATOM 404 O VAL A 26 98.827 10.865 -0.870 1.00 0.00 O ATOM 405 CB VAL A 26 96.135 10.010 0.932 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.348 9.501 1.732 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.115 10.610 1.909 1.00 0.00 C ATOM 0 H VAL A 26 94.532 11.011 -0.652 1.00 0.00 H new ATOM 0 HA VAL A 26 96.966 11.946 0.433 1.00 0.00 H new ATOM 0 HB VAL A 26 95.695 9.174 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.021 8.747 2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.076 9.062 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 26 97.807 10.333 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 26 94.816 9.853 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.565 11.455 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.239 10.950 1.357 1.00 0.00 H new ATOM 417 N LYS A 27 97.246 9.672 -1.965 1.00 0.00 N ATOM 418 CA LYS A 27 98.205 9.061 -2.886 1.00 0.00 C ATOM 419 C LYS A 27 98.998 10.139 -3.623 1.00 0.00 C ATOM 420 O LYS A 27 100.222 10.051 -3.712 1.00 0.00 O ATOM 421 CB LYS A 27 97.481 8.161 -3.891 1.00 0.00 C ATOM 422 CG LYS A 27 96.911 6.942 -3.161 1.00 0.00 C ATOM 423 CD LYS A 27 96.196 6.031 -4.161 1.00 0.00 C ATOM 424 CE LYS A 27 95.651 4.801 -3.432 1.00 0.00 C ATOM 425 NZ LYS A 27 94.955 3.914 -4.407 1.00 0.00 N ATOM 0 H LYS A 27 96.277 9.386 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 27 98.898 8.452 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.679 8.714 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.170 7.842 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.713 6.395 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.216 7.263 -2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.382 6.571 -4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 27 96.886 5.725 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 27 96.465 4.261 -2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 27 94.961 5.107 -2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.584 3.078 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 94.169 4.432 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 95.626 3.612 -5.142 1.00 0.00 H new ATOM 439 N ALA A 28 98.296 11.143 -4.149 1.00 0.00 N ATOM 440 CA ALA A 28 98.949 12.233 -4.880 1.00 0.00 C ATOM 441 C ALA A 28 100.053 12.867 -4.036 1.00 0.00 C ATOM 442 O ALA A 28 101.140 13.156 -4.548 1.00 0.00 O ATOM 443 CB ALA A 28 97.919 13.296 -5.265 1.00 0.00 C ATOM 0 H ALA A 28 97.281 11.226 -4.084 1.00 0.00 H new ATOM 0 HA ALA A 28 99.397 11.819 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.413 14.102 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.153 12.848 -5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.455 13.697 -4.364 1.00 0.00 H new ATOM 449 N LYS A 29 99.777 13.059 -2.743 1.00 0.00 N ATOM 450 CA LYS A 29 100.769 13.638 -1.838 1.00 0.00 C ATOM 451 C LYS A 29 101.992 12.728 -1.758 1.00 0.00 C ATOM 452 O LYS A 29 103.135 13.196 -1.787 1.00 0.00 O ATOM 453 CB LYS A 29 100.178 13.812 -0.435 1.00 0.00 C ATOM 454 CG LYS A 29 99.121 14.918 -0.447 1.00 0.00 C ATOM 455 CD LYS A 29 98.542 15.073 0.960 1.00 0.00 C ATOM 456 CE LYS A 29 97.497 16.191 0.968 1.00 0.00 C ATOM 457 NZ LYS A 29 96.929 16.333 2.340 1.00 0.00 N ATOM 0 H LYS A 29 98.886 12.825 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 29 101.061 14.614 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 29 99.732 12.875 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 29 100.968 14.060 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.564 15.858 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.329 14.673 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.088 14.136 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.338 15.302 1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 29 97.952 17.130 0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 29 96.703 15.966 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.256 17.126 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.437 15.456 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 97.697 16.516 3.017 1.00 0.00 H new ATOM 471 N ILE A 30 101.734 11.420 -1.670 1.00 0.00 N ATOM 472 CA ILE A 30 102.807 10.433 -1.595 1.00 0.00 C ATOM 473 C ILE A 30 103.628 10.477 -2.888 1.00 0.00 C ATOM 474 O ILE A 30 104.849 10.426 -2.846 1.00 0.00 O ATOM 475 CB ILE A 30 102.214 9.026 -1.365 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.551 8.986 0.022 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.328 7.960 -1.416 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.669 7.737 0.146 1.00 0.00 C ATOM 0 H ILE A 30 100.794 11.024 -1.649 1.00 0.00 H new ATOM 0 HA ILE A 30 103.463 10.665 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 30 101.482 8.816 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.315 8.980 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 30 100.950 9.882 0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 30 102.895 6.973 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 30 103.812 7.986 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.065 8.166 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.203 7.717 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 30 99.895 7.761 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.281 6.845 0.016 1.00 0.00 H new ATOM 490 N GLN A 31 102.939 10.565 -4.030 1.00 0.00 N ATOM 491 CA GLN A 31 103.604 10.603 -5.339 1.00 0.00 C ATOM 492 C GLN A 31 104.761 11.606 -5.331 1.00 0.00 C ATOM 493 O GLN A 31 105.818 11.346 -5.908 1.00 0.00 O ATOM 494 CB GLN A 31 102.581 10.997 -6.420 1.00 0.00 C ATOM 495 CG GLN A 31 103.224 10.932 -7.817 1.00 0.00 C ATOM 496 CD GLN A 31 102.235 11.372 -8.901 1.00 0.00 C ATOM 497 OE1 GLN A 31 101.023 11.410 -8.677 1.00 0.00 O ATOM 498 NE2 GLN A 31 102.690 11.710 -10.076 1.00 0.00 N ATOM 0 H GLN A 31 101.921 10.611 -4.076 1.00 0.00 H new ATOM 0 HA GLN A 31 104.008 9.614 -5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 31 101.721 10.328 -6.377 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.211 12.004 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 31 104.106 11.571 -7.845 1.00 0.00 H new ATOM 0 HG3 GLN A 31 103.561 9.915 -8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 31 103.692 11.679 -10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 31 102.044 12.005 -10.808 1.00 0.00 H new ATOM 507 N ASP A 32 104.542 12.747 -4.685 1.00 0.00 N ATOM 508 CA ASP A 32 105.563 13.790 -4.607 1.00 0.00 C ATOM 509 C ASP A 32 106.763 13.367 -3.750 1.00 0.00 C ATOM 510 O ASP A 32 107.905 13.713 -4.064 1.00 0.00 O ATOM 511 CB ASP A 32 104.955 15.067 -4.028 1.00 0.00 C ATOM 512 CG ASP A 32 105.929 16.227 -4.203 1.00 0.00 C ATOM 513 OD1 ASP A 32 106.381 16.751 -3.199 1.00 0.00 O ATOM 514 OD2 ASP A 32 106.209 16.572 -5.340 1.00 0.00 O ATOM 0 H ASP A 32 103.669 12.974 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 32 105.923 13.966 -5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 32 104.013 15.292 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 32 104.729 14.926 -2.971 1.00 0.00 H new ATOM 519 N LYS A 33 106.496 12.644 -2.655 1.00 0.00 N ATOM 520 CA LYS A 33 107.564 12.209 -1.740 1.00 0.00 C ATOM 521 C LYS A 33 108.286 10.939 -2.194 1.00 0.00 C ATOM 522 O LYS A 33 109.495 10.810 -1.983 1.00 0.00 O ATOM 523 CB LYS A 33 107.000 11.978 -0.337 1.00 0.00 C ATOM 524 CG LYS A 33 106.624 13.317 0.295 1.00 0.00 C ATOM 525 CD LYS A 33 106.078 13.089 1.702 1.00 0.00 C ATOM 526 CE LYS A 33 105.724 14.438 2.328 1.00 0.00 C ATOM 527 NZ LYS A 33 105.216 14.232 3.715 1.00 0.00 N ATOM 0 H LYS A 33 105.559 12.349 -2.381 1.00 0.00 H new ATOM 0 HA LYS A 33 108.296 13.016 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.124 11.331 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 33 107.738 11.467 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.497 13.969 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 33 105.877 13.822 -0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.196 12.450 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 33 106.819 12.574 2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 33 106.602 15.084 2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 33 104.969 14.942 1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 104.259 14.630 3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 105.187 13.214 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 105.847 14.708 4.390 1.00 0.00 H new ATOM 541 N GLU A 34 107.549 9.997 -2.784 1.00 0.00 N ATOM 542 CA GLU A 34 108.135 8.728 -3.228 1.00 0.00 C ATOM 543 C GLU A 34 108.373 8.692 -4.740 1.00 0.00 C ATOM 544 O GLU A 34 109.036 7.778 -5.236 1.00 0.00 O ATOM 545 CB GLU A 34 107.202 7.573 -2.843 1.00 0.00 C ATOM 546 CG GLU A 34 107.112 7.455 -1.316 1.00 0.00 C ATOM 547 CD GLU A 34 108.467 7.045 -0.732 1.00 0.00 C ATOM 548 OE1 GLU A 34 108.920 7.705 0.190 1.00 0.00 O ATOM 549 OE2 GLU A 34 109.031 6.080 -1.219 1.00 0.00 O ATOM 0 H GLU A 34 106.549 10.086 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 34 109.102 8.627 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.210 7.742 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 34 107.572 6.639 -3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 34 106.798 8.407 -0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 34 106.355 6.719 -1.046 1.00 0.00 H new ATOM 556 N GLY A 35 107.849 9.685 -5.467 1.00 0.00 N ATOM 557 CA GLY A 35 108.024 9.751 -6.917 1.00 0.00 C ATOM 558 C GLY A 35 107.359 8.572 -7.635 1.00 0.00 C ATOM 559 O GLY A 35 107.751 8.237 -8.755 1.00 0.00 O ATOM 0 H GLY A 35 107.302 10.451 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 35 107.604 10.685 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.088 9.764 -7.153 1.00 0.00 H new ATOM 563 N ILE A 36 106.363 7.942 -6.994 1.00 0.00 N ATOM 564 CA ILE A 36 105.673 6.795 -7.602 1.00 0.00 C ATOM 565 C ILE A 36 104.210 7.167 -7.961 1.00 0.00 C ATOM 566 O ILE A 36 103.532 7.802 -7.150 1.00 0.00 O ATOM 567 CB ILE A 36 105.691 5.583 -6.645 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.145 5.219 -6.290 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.026 4.376 -7.326 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.173 4.301 -5.063 1.00 0.00 C ATOM 0 H ILE A 36 106.021 8.202 -6.069 1.00 0.00 H new ATOM 0 HA ILE A 36 106.200 6.527 -8.517 1.00 0.00 H new ATOM 0 HB ILE A 36 105.146 5.841 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.621 4.723 -7.136 1.00 0.00 H new ATOM 0 HG13 ILE A 36 107.716 6.125 -6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.040 3.522 -6.648 1.00 0.00 H new ATOM 0 HG22 ILE A 36 103.994 4.623 -7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 36 105.571 4.126 -8.236 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.205 4.049 -4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 36 106.715 4.812 -4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.618 3.388 -5.279 1.00 0.00 H new ATOM 582 N PRO A 37 103.698 6.784 -9.144 1.00 0.00 N ATOM 583 CA PRO A 37 102.286 7.107 -9.550 1.00 0.00 C ATOM 584 C PRO A 37 101.237 6.506 -8.584 1.00 0.00 C ATOM 585 O PRO A 37 101.463 5.420 -8.046 1.00 0.00 O ATOM 586 CB PRO A 37 102.138 6.491 -10.950 1.00 0.00 C ATOM 587 CG PRO A 37 103.527 6.289 -11.449 1.00 0.00 C ATOM 588 CD PRO A 37 104.380 6.020 -10.218 1.00 0.00 C ATOM 0 HA PRO A 37 102.110 8.183 -9.532 1.00 0.00 H new ATOM 0 HB2 PRO A 37 101.596 5.546 -10.907 1.00 0.00 H new ATOM 0 HB3 PRO A 37 101.576 7.151 -11.611 1.00 0.00 H new ATOM 0 HG2 PRO A 37 103.573 5.452 -12.146 1.00 0.00 H new ATOM 0 HG3 PRO A 37 103.881 7.170 -11.984 1.00 0.00 H new ATOM 0 HD2 PRO A 37 104.424 4.956 -9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.406 6.358 -10.360 1.00 0.00 H new ATOM 596 N PRO A 38 100.095 7.170 -8.356 1.00 0.00 N ATOM 597 CA PRO A 38 99.026 6.642 -7.439 1.00 0.00 C ATOM 598 C PRO A 38 98.531 5.256 -7.852 1.00 0.00 C ATOM 599 O PRO A 38 98.196 4.427 -7.003 1.00 0.00 O ATOM 600 CB PRO A 38 97.887 7.665 -7.557 1.00 0.00 C ATOM 601 CG PRO A 38 98.526 8.917 -8.042 1.00 0.00 C ATOM 602 CD PRO A 38 99.689 8.478 -8.928 1.00 0.00 C ATOM 0 HA PRO A 38 99.403 6.525 -6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.121 7.321 -8.252 1.00 0.00 H new ATOM 0 HB3 PRO A 38 97.398 7.821 -6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 38 97.816 9.526 -8.602 1.00 0.00 H new ATOM 0 HG3 PRO A 38 98.878 9.524 -7.208 1.00 0.00 H new ATOM 0 HD2 PRO A 38 99.384 8.382 -9.970 1.00 0.00 H new ATOM 0 HD3 PRO A 38 100.507 9.198 -8.901 1.00 0.00 H new ATOM 610 N ASP A 39 98.470 5.031 -9.166 1.00 0.00 N ATOM 611 CA ASP A 39 97.992 3.758 -9.709 1.00 0.00 C ATOM 612 C ASP A 39 98.896 2.599 -9.295 1.00 0.00 C ATOM 613 O ASP A 39 98.412 1.492 -9.043 1.00 0.00 O ATOM 614 CB ASP A 39 97.930 3.829 -11.236 1.00 0.00 C ATOM 615 CG ASP A 39 99.287 4.243 -11.799 1.00 0.00 C ATOM 616 OD1 ASP A 39 100.064 3.362 -12.129 1.00 0.00 O ATOM 617 OD2 ASP A 39 99.528 5.436 -11.894 1.00 0.00 O ATOM 0 H ASP A 39 98.745 5.713 -9.873 1.00 0.00 H new ATOM 0 HA ASP A 39 96.996 3.580 -9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 39 97.640 2.859 -11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.167 4.544 -11.544 1.00 0.00 H new ATOM 622 N GLN A 40 100.202 2.861 -9.230 1.00 0.00 N ATOM 623 CA GLN A 40 101.168 1.826 -8.849 1.00 0.00 C ATOM 624 C GLN A 40 101.270 1.681 -7.319 1.00 0.00 C ATOM 625 O GLN A 40 101.920 0.755 -6.827 1.00 0.00 O ATOM 626 CB GLN A 40 102.550 2.171 -9.422 1.00 0.00 C ATOM 627 CG GLN A 40 103.443 0.923 -9.422 1.00 0.00 C ATOM 628 CD GLN A 40 104.834 1.264 -9.943 1.00 0.00 C ATOM 629 OE1 GLN A 40 105.369 2.332 -9.643 1.00 0.00 O ATOM 630 NE2 GLN A 40 105.461 0.407 -10.704 1.00 0.00 N ATOM 0 H GLN A 40 100.614 3.772 -9.434 1.00 0.00 H new ATOM 0 HA GLN A 40 100.819 0.877 -9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.447 2.555 -10.437 1.00 0.00 H new ATOM 0 HB3 GLN A 40 103.013 2.960 -8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.515 0.520 -8.412 1.00 0.00 H new ATOM 0 HG3 GLN A 40 102.995 0.148 -10.044 1.00 0.00 H new ATOM 0 HE21 GLN A 40 105.016 -0.477 -10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 40 106.396 0.622 -11.051 1.00 0.00 H new ATOM 639 N GLN A 41 100.635 2.597 -6.571 1.00 0.00 N ATOM 640 CA GLN A 41 100.678 2.555 -5.110 1.00 0.00 C ATOM 641 C GLN A 41 99.320 2.203 -4.515 1.00 0.00 C ATOM 642 O GLN A 41 98.307 2.831 -4.833 1.00 0.00 O ATOM 643 CB GLN A 41 101.130 3.908 -4.565 1.00 0.00 C ATOM 644 CG GLN A 41 102.601 4.128 -4.910 1.00 0.00 C ATOM 645 CD GLN A 41 103.069 5.469 -4.365 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.499 6.510 -4.693 1.00 0.00 O ATOM 647 NE2 GLN A 41 104.084 5.507 -3.547 1.00 0.00 N ATOM 0 H GLN A 41 100.090 3.369 -6.955 1.00 0.00 H new ATOM 0 HA GLN A 41 101.387 1.778 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.522 4.706 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 41 100.989 3.943 -3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 41 103.206 3.324 -4.490 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.738 4.098 -5.991 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.554 4.643 -3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.408 6.401 -3.177 1.00 0.00 H new ATOM 656 N ARG A 42 99.323 1.202 -3.635 1.00 0.00 N ATOM 657 CA ARG A 42 98.105 0.758 -2.965 1.00 0.00 C ATOM 658 C ARG A 42 98.318 0.783 -1.455 1.00 0.00 C ATOM 659 O ARG A 42 99.340 0.295 -0.964 1.00 0.00 O ATOM 660 CB ARG A 42 97.761 -0.668 -3.400 1.00 0.00 C ATOM 661 CG ARG A 42 97.443 -0.696 -4.897 1.00 0.00 C ATOM 662 CD ARG A 42 97.196 -2.140 -5.321 1.00 0.00 C ATOM 663 NE ARG A 42 98.463 -2.881 -5.311 1.00 0.00 N ATOM 664 CZ ARG A 42 98.525 -4.220 -5.200 1.00 0.00 C ATOM 665 NH1 ARG A 42 97.439 -4.952 -5.094 1.00 0.00 N ATOM 666 NH2 ARG A 42 99.693 -4.801 -5.193 1.00 0.00 N ATOM 0 H ARG A 42 100.160 0.683 -3.370 1.00 0.00 H new ATOM 0 HA ARG A 42 97.287 1.426 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.596 -1.334 -3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.906 -1.034 -2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.565 -0.086 -5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 42 98.270 -0.272 -5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 42 96.483 -2.611 -4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 42 96.756 -2.166 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 42 99.335 -2.358 -5.392 1.00 0.00 H new ATOM 0 HH11 ARG A 42 96.522 -4.506 -5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 42 97.513 -5.966 -5.011 1.00 0.00 H new ATOM 0 HH21 ARG A 42 100.542 -4.241 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 42 99.757 -5.816 -5.110 1.00 0.00 H new ATOM 680 N LEU A 43 97.364 1.367 -0.727 1.00 0.00 N ATOM 681 CA LEU A 43 97.464 1.469 0.729 1.00 0.00 C ATOM 682 C LEU A 43 96.468 0.545 1.424 1.00 0.00 C ATOM 683 O LEU A 43 95.311 0.436 1.012 1.00 0.00 O ATOM 684 CB LEU A 43 97.185 2.913 1.159 1.00 0.00 C ATOM 685 CG LEU A 43 98.401 3.800 0.854 1.00 0.00 C ATOM 686 CD1 LEU A 43 97.987 5.273 0.903 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.492 3.552 1.902 1.00 0.00 C ATOM 0 H LEU A 43 96.516 1.775 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 43 98.472 1.171 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 43 96.308 3.293 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 43 96.960 2.946 2.225 1.00 0.00 H new ATOM 0 HG LEU A 43 98.782 3.558 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.851 5.901 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 43 97.209 5.457 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.605 5.511 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 43 100.355 4.182 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 43 99.107 3.793 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.791 2.504 1.875 1.00 0.00 H new ATOM 699 N ILE A 44 96.934 -0.095 2.499 1.00 0.00 N ATOM 700 CA ILE A 44 96.098 -0.993 3.289 1.00 0.00 C ATOM 701 C ILE A 44 96.166 -0.583 4.754 1.00 0.00 C ATOM 702 O ILE A 44 97.204 -0.132 5.244 1.00 0.00 O ATOM 703 CB ILE A 44 96.533 -2.462 3.113 1.00 0.00 C ATOM 704 CG1 ILE A 44 96.334 -2.858 1.640 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.684 -3.384 4.017 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.918 -4.248 1.371 1.00 0.00 C ATOM 0 H ILE A 44 97.891 -0.005 2.841 1.00 0.00 H new ATOM 0 HA ILE A 44 95.069 -0.915 2.938 1.00 0.00 H new ATOM 0 HB ILE A 44 97.580 -2.569 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 44 95.272 -2.851 1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.814 -2.124 0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 44 96.002 -4.418 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.818 -3.096 5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.632 -3.290 3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.767 -4.510 0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.985 -4.244 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 44 96.418 -4.981 2.004 1.00 0.00 H new ATOM 718 N PHE A 45 95.040 -0.751 5.430 1.00 0.00 N ATOM 719 CA PHE A 45 94.930 -0.410 6.842 1.00 0.00 C ATOM 720 C PHE A 45 93.940 -1.346 7.532 1.00 0.00 C ATOM 721 O PHE A 45 92.763 -1.384 7.179 1.00 0.00 O ATOM 722 CB PHE A 45 94.468 1.050 6.984 1.00 0.00 C ATOM 723 CG PHE A 45 94.434 1.452 8.448 1.00 0.00 C ATOM 724 CD1 PHE A 45 93.207 1.678 9.084 1.00 0.00 C ATOM 725 CD2 PHE A 45 95.628 1.591 9.164 1.00 0.00 C ATOM 726 CE1 PHE A 45 93.175 2.040 10.434 1.00 0.00 C ATOM 727 CE2 PHE A 45 95.597 1.954 10.515 1.00 0.00 C ATOM 728 CZ PHE A 45 94.370 2.180 11.150 1.00 0.00 C ATOM 0 H PHE A 45 94.183 -1.124 5.021 1.00 0.00 H new ATOM 0 HA PHE A 45 95.905 -0.524 7.317 1.00 0.00 H new ATOM 0 HB2 PHE A 45 95.143 1.707 6.435 1.00 0.00 H new ATOM 0 HB3 PHE A 45 93.478 1.170 6.544 1.00 0.00 H new ATOM 0 HD1 PHE A 45 92.285 1.573 8.531 1.00 0.00 H new ATOM 0 HD2 PHE A 45 96.574 1.418 8.673 1.00 0.00 H new ATOM 0 HE1 PHE A 45 92.228 2.212 10.925 1.00 0.00 H new ATOM 0 HE2 PHE A 45 96.519 2.060 11.067 1.00 0.00 H new ATOM 0 HZ PHE A 45 94.345 2.462 12.192 1.00 0.00 H new ATOM 738 N ALA A 46 94.435 -2.094 8.523 1.00 0.00 N ATOM 739 CA ALA A 46 93.604 -3.044 9.286 1.00 0.00 C ATOM 740 C ALA A 46 93.237 -4.276 8.445 1.00 0.00 C ATOM 741 O ALA A 46 92.233 -4.944 8.716 1.00 0.00 O ATOM 742 CB ALA A 46 92.323 -2.361 9.798 1.00 0.00 C ATOM 0 H ALA A 46 95.410 -2.063 8.820 1.00 0.00 H new ATOM 0 HA ALA A 46 94.195 -3.377 10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 46 91.726 -3.081 10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 46 92.590 -1.528 10.448 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.745 -1.990 8.951 1.00 0.00 H new ATOM 748 N GLY A 47 94.069 -4.588 7.444 1.00 0.00 N ATOM 749 CA GLY A 47 93.842 -5.756 6.588 1.00 0.00 C ATOM 750 C GLY A 47 92.906 -5.464 5.405 1.00 0.00 C ATOM 751 O GLY A 47 92.542 -6.383 4.667 1.00 0.00 O ATOM 0 H GLY A 47 94.902 -4.049 7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.799 -6.111 6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.419 -6.562 7.188 1.00 0.00 H new ATOM 755 N LYS A 48 92.528 -4.194 5.225 1.00 0.00 N ATOM 756 CA LYS A 48 91.640 -3.802 4.121 1.00 0.00 C ATOM 757 C LYS A 48 92.256 -2.646 3.336 1.00 0.00 C ATOM 758 O LYS A 48 92.945 -1.803 3.909 1.00 0.00 O ATOM 759 CB LYS A 48 90.252 -3.399 4.653 1.00 0.00 C ATOM 760 CG LYS A 48 90.382 -2.287 5.702 1.00 0.00 C ATOM 761 CD LYS A 48 88.996 -1.886 6.205 1.00 0.00 C ATOM 762 CE LYS A 48 89.139 -0.774 7.244 1.00 0.00 C ATOM 763 NZ LYS A 48 87.789 -0.362 7.721 1.00 0.00 N ATOM 0 H LYS A 48 92.820 -3.423 5.825 1.00 0.00 H new ATOM 0 HA LYS A 48 91.519 -4.658 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 48 89.625 -3.059 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.758 -4.266 5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 48 90.996 -2.630 6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.886 -1.423 5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 48 88.379 -1.546 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.492 -2.747 6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.742 -1.121 8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 48 89.659 0.080 6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 87.887 0.395 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 87.228 -0.015 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 87.309 -1.178 8.151 1.00 0.00 H new ATOM 777 N GLN A 49 92.000 -2.615 2.027 1.00 0.00 N ATOM 778 CA GLN A 49 92.536 -1.559 1.169 1.00 0.00 C ATOM 779 C GLN A 49 91.695 -0.293 1.293 1.00 0.00 C ATOM 780 O GLN A 49 90.486 -0.361 1.530 1.00 0.00 O ATOM 781 CB GLN A 49 92.548 -2.027 -0.291 1.00 0.00 C ATOM 782 CG GLN A 49 93.349 -1.034 -1.141 1.00 0.00 C ATOM 783 CD GLN A 49 93.427 -1.509 -2.591 1.00 0.00 C ATOM 784 OE1 GLN A 49 93.460 -2.712 -2.857 1.00 0.00 O ATOM 785 NE2 GLN A 49 93.456 -0.626 -3.553 1.00 0.00 N ATOM 0 H GLN A 49 91.428 -3.305 1.541 1.00 0.00 H new ATOM 0 HA GLN A 49 93.555 -1.338 1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 49 92.990 -3.021 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 49 91.528 -2.104 -0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 49 92.881 -0.051 -1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 49 94.354 -0.926 -0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 49 93.429 0.370 -3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 49 93.506 -0.932 -4.525 1.00 0.00 H new ATOM 794 N LEU A 50 92.350 0.857 1.128 1.00 0.00 N ATOM 795 CA LEU A 50 91.668 2.144 1.217 1.00 0.00 C ATOM 796 C LEU A 50 91.057 2.510 -0.132 1.00 0.00 C ATOM 797 O LEU A 50 91.751 2.538 -1.151 1.00 0.00 O ATOM 798 CB LEU A 50 92.663 3.225 1.650 1.00 0.00 C ATOM 799 CG LEU A 50 93.134 2.959 3.087 1.00 0.00 C ATOM 800 CD1 LEU A 50 94.349 3.838 3.388 1.00 0.00 C ATOM 801 CD2 LEU A 50 92.015 3.297 4.082 1.00 0.00 C ATOM 0 H LEU A 50 93.349 0.921 0.933 1.00 0.00 H new ATOM 0 HA LEU A 50 90.869 2.073 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.518 3.236 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 50 92.195 4.208 1.588 1.00 0.00 H new ATOM 0 HG LEU A 50 93.397 1.906 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.688 3.653 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 50 95.152 3.600 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 50 94.074 4.887 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 50 92.361 3.104 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.746 4.349 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 50 91.142 2.678 3.872 1.00 0.00 H new ATOM 813 N GLU A 51 89.751 2.771 -0.120 1.00 0.00 N ATOM 814 CA GLU A 51 89.024 3.118 -1.340 1.00 0.00 C ATOM 815 C GLU A 51 89.300 4.569 -1.738 1.00 0.00 C ATOM 816 O GLU A 51 89.212 5.479 -0.908 1.00 0.00 O ATOM 817 CB GLU A 51 87.524 2.905 -1.123 1.00 0.00 C ATOM 818 CG GLU A 51 86.782 3.014 -2.465 1.00 0.00 C ATOM 819 CD GLU A 51 85.282 2.713 -2.298 1.00 0.00 C ATOM 820 OE1 GLU A 51 84.525 3.115 -3.167 1.00 0.00 O ATOM 821 OE2 GLU A 51 84.911 2.070 -1.324 1.00 0.00 O ATOM 0 H GLU A 51 89.174 2.749 0.721 1.00 0.00 H new ATOM 0 HA GLU A 51 89.365 2.472 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 51 87.347 1.926 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 51 87.140 3.647 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 51 86.911 4.016 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 51 87.218 2.318 -3.182 1.00 0.00 H new ATOM 828 N ASP A 52 89.656 4.761 -3.008 1.00 0.00 N ATOM 829 CA ASP A 52 89.975 6.091 -3.530 1.00 0.00 C ATOM 830 C ASP A 52 88.782 7.038 -3.406 1.00 0.00 C ATOM 831 O ASP A 52 88.958 8.227 -3.127 1.00 0.00 O ATOM 832 CB ASP A 52 90.388 5.985 -5.004 1.00 0.00 C ATOM 833 CG ASP A 52 89.265 5.356 -5.825 1.00 0.00 C ATOM 834 OD1 ASP A 52 88.888 5.948 -6.825 1.00 0.00 O ATOM 835 OD2 ASP A 52 88.801 4.292 -5.450 1.00 0.00 O ATOM 0 H ASP A 52 89.731 4.012 -3.696 1.00 0.00 H new ATOM 0 HA ASP A 52 90.798 6.495 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 52 90.623 6.975 -5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 52 91.293 5.384 -5.093 1.00 0.00 H new ATOM 840 N GLY A 53 87.579 6.502 -3.622 1.00 0.00 N ATOM 841 CA GLY A 53 86.353 7.300 -3.544 1.00 0.00 C ATOM 842 C GLY A 53 85.883 7.523 -2.099 1.00 0.00 C ATOM 843 O GLY A 53 84.799 8.069 -1.884 1.00 0.00 O ATOM 0 H GLY A 53 87.427 5.520 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.522 8.266 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.563 6.801 -4.106 1.00 0.00 H new ATOM 847 N ARG A 54 86.697 7.108 -1.116 1.00 0.00 N ATOM 848 CA ARG A 54 86.341 7.278 0.296 1.00 0.00 C ATOM 849 C ARG A 54 87.379 8.133 1.015 1.00 0.00 C ATOM 850 O ARG A 54 88.490 8.326 0.514 1.00 0.00 O ATOM 851 CB ARG A 54 86.223 5.920 0.994 1.00 0.00 C ATOM 852 CG ARG A 54 84.985 5.187 0.473 1.00 0.00 C ATOM 853 CD ARG A 54 84.843 3.838 1.181 1.00 0.00 C ATOM 854 NE ARG A 54 83.625 3.156 0.728 1.00 0.00 N ATOM 855 CZ ARG A 54 83.284 1.919 1.137 1.00 0.00 C ATOM 856 NH1 ARG A 54 84.037 1.239 1.972 1.00 0.00 N ATOM 857 NH2 ARG A 54 82.177 1.387 0.698 1.00 0.00 N ATOM 0 H ARG A 54 87.598 6.656 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 54 85.375 7.782 0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.117 5.324 0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.150 6.058 2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.095 5.792 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.067 5.036 -0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.715 3.217 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.806 3.987 2.260 1.00 0.00 H new ATOM 0 HE ARG A 54 83.010 3.640 0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.902 1.647 2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 54 83.756 0.304 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 54 81.582 1.907 0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 54 81.906 0.451 0.999 1.00 0.00 H new ATOM 871 N THR A 55 86.998 8.645 2.187 1.00 0.00 N ATOM 872 CA THR A 55 87.892 9.489 2.980 1.00 0.00 C ATOM 873 C THR A 55 88.462 8.723 4.166 1.00 0.00 C ATOM 874 O THR A 55 87.970 7.652 4.524 1.00 0.00 O ATOM 875 CB THR A 55 87.155 10.739 3.475 1.00 0.00 C ATOM 876 OG1 THR A 55 86.040 10.350 4.265 1.00 0.00 O ATOM 877 CG2 THR A 55 86.679 11.571 2.279 1.00 0.00 C ATOM 0 H THR A 55 86.081 8.491 2.606 1.00 0.00 H new ATOM 0 HA THR A 55 88.717 9.793 2.336 1.00 0.00 H new ATOM 0 HB THR A 55 87.833 11.342 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.384 9.889 3.701 1.00 0.00 H new ATOM 0 HG21 THR A 55 86.156 12.458 2.638 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.539 11.874 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 55 86.003 10.974 1.667 1.00 0.00 H new ATOM 885 N LEU A 56 89.524 9.280 4.744 1.00 0.00 N ATOM 886 CA LEU A 56 90.203 8.656 5.874 1.00 0.00 C ATOM 887 C LEU A 56 89.256 8.502 7.065 1.00 0.00 C ATOM 888 O LEU A 56 89.265 7.468 7.737 1.00 0.00 O ATOM 889 CB LEU A 56 91.413 9.508 6.277 1.00 0.00 C ATOM 890 CG LEU A 56 92.487 9.456 5.181 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.527 10.548 5.439 1.00 0.00 C ATOM 892 CD2 LEU A 56 93.186 8.088 5.194 1.00 0.00 C ATOM 0 H LEU A 56 89.933 10.166 4.446 1.00 0.00 H new ATOM 0 HA LEU A 56 90.536 7.662 5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 56 91.102 10.539 6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.826 9.145 7.218 1.00 0.00 H new ATOM 0 HG LEU A 56 92.013 9.611 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.291 10.514 4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 56 93.041 11.524 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.991 10.386 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.946 8.060 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.656 7.929 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.452 7.303 5.014 1.00 0.00 H new ATOM 904 N SER A 57 88.441 9.529 7.312 1.00 0.00 N ATOM 905 CA SER A 57 87.480 9.500 8.421 1.00 0.00 C ATOM 906 C SER A 57 86.501 8.336 8.262 1.00 0.00 C ATOM 907 O SER A 57 86.080 7.732 9.251 1.00 0.00 O ATOM 908 CB SER A 57 86.699 10.813 8.471 1.00 0.00 C ATOM 909 OG SER A 57 86.121 10.969 9.761 1.00 0.00 O ATOM 0 H SER A 57 88.425 10.389 6.763 1.00 0.00 H new ATOM 0 HA SER A 57 88.037 9.368 9.349 1.00 0.00 H new ATOM 0 HB2 SER A 57 87.361 11.651 8.253 1.00 0.00 H new ATOM 0 HB3 SER A 57 85.920 10.815 7.709 1.00 0.00 H new ATOM 0 HG SER A 57 85.621 11.811 9.796 1.00 0.00 H new ATOM 915 N ASP A 58 86.150 8.038 7.011 1.00 0.00 N ATOM 916 CA ASP A 58 85.219 6.947 6.711 1.00 0.00 C ATOM 917 C ASP A 58 85.810 5.583 7.098 1.00 0.00 C ATOM 918 O ASP A 58 85.072 4.599 7.210 1.00 0.00 O ATOM 919 CB ASP A 58 84.874 6.942 5.214 1.00 0.00 C ATOM 920 CG ASP A 58 84.036 8.171 4.835 1.00 0.00 C ATOM 921 OD1 ASP A 58 84.121 8.583 3.689 1.00 0.00 O ATOM 922 OD2 ASP A 58 83.307 8.673 5.682 1.00 0.00 O ATOM 0 H ASP A 58 86.495 8.535 6.190 1.00 0.00 H new ATOM 0 HA ASP A 58 84.316 7.113 7.299 1.00 0.00 H new ATOM 0 HB2 ASP A 58 85.792 6.929 4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 58 84.325 6.033 4.967 1.00 0.00 H new ATOM 927 N TYR A 59 87.137 5.526 7.296 1.00 0.00 N ATOM 928 CA TYR A 59 87.807 4.273 7.662 1.00 0.00 C ATOM 929 C TYR A 59 88.175 4.228 9.150 1.00 0.00 C ATOM 930 O TYR A 59 88.941 3.353 9.567 1.00 0.00 O ATOM 931 CB TYR A 59 89.082 4.091 6.823 1.00 0.00 C ATOM 932 CG TYR A 59 88.720 3.607 5.437 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.666 4.508 4.367 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.431 2.255 5.231 1.00 0.00 C ATOM 935 CE1 TYR A 59 88.321 4.053 3.089 1.00 0.00 C ATOM 936 CE2 TYR A 59 88.087 1.800 3.956 1.00 0.00 C ATOM 937 CZ TYR A 59 88.031 2.698 2.884 1.00 0.00 C ATOM 938 OH TYR A 59 87.686 2.249 1.627 1.00 0.00 O ATOM 0 H TYR A 59 87.761 6.328 7.209 1.00 0.00 H new ATOM 0 HA TYR A 59 87.105 3.464 7.461 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.623 5.035 6.758 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.747 3.375 7.306 1.00 0.00 H new ATOM 0 HD1 TYR A 59 88.890 5.552 4.527 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.474 1.562 6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.278 4.746 2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 59 87.864 0.755 3.797 1.00 0.00 H new ATOM 0 HH TYR A 59 87.518 1.284 1.659 1.00 0.00 H new ATOM 948 N ASN A 60 87.634 5.158 9.947 1.00 0.00 N ATOM 949 CA ASN A 60 87.920 5.199 11.384 1.00 0.00 C ATOM 950 C ASN A 60 89.422 5.372 11.639 1.00 0.00 C ATOM 951 O ASN A 60 89.986 4.780 12.567 1.00 0.00 O ATOM 952 CB ASN A 60 87.399 3.920 12.061 1.00 0.00 C ATOM 953 CG ASN A 60 85.879 3.850 11.944 1.00 0.00 C ATOM 954 OD1 ASN A 60 85.197 4.871 12.041 1.00 0.00 O ATOM 955 ND2 ASN A 60 85.304 2.697 11.739 1.00 0.00 N ATOM 0 H ASN A 60 87.000 5.888 9.622 1.00 0.00 H new ATOM 0 HA ASN A 60 87.407 6.059 11.815 1.00 0.00 H new ATOM 0 HB2 ASN A 60 87.849 3.043 11.595 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.692 3.909 13.111 1.00 0.00 H new ATOM 0 HD21 ASN A 60 84.289 2.641 11.659 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.870 1.852 11.659 1.00 0.00 H new ATOM 962 N ILE A 61 90.061 6.206 10.810 1.00 0.00 N ATOM 963 CA ILE A 61 91.495 6.475 10.948 1.00 0.00 C ATOM 964 C ILE A 61 91.686 7.717 11.824 1.00 0.00 C ATOM 965 O ILE A 61 91.149 8.787 11.522 1.00 0.00 O ATOM 966 CB ILE A 61 92.135 6.699 9.559 1.00 0.00 C ATOM 967 CG1 ILE A 61 91.915 5.451 8.685 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.648 6.944 9.712 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.218 5.778 7.217 1.00 0.00 C ATOM 0 H ILE A 61 89.610 6.703 10.042 1.00 0.00 H new ATOM 0 HA ILE A 61 91.982 5.619 11.415 1.00 0.00 H new ATOM 0 HB ILE A 61 91.672 7.567 9.090 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.559 4.640 9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.886 5.104 8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.092 7.101 8.729 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.813 7.827 10.330 1.00 0.00 H new ATOM 0 HG23 ILE A 61 94.111 6.078 10.185 1.00 0.00 H new ATOM 0 HD11 ILE A 61 92.060 4.889 6.606 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.556 6.574 6.877 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.254 6.103 7.123 1.00 0.00 H new ATOM 981 N GLN A 62 92.441 7.553 12.912 1.00 0.00 N ATOM 982 CA GLN A 62 92.691 8.652 13.845 1.00 0.00 C ATOM 983 C GLN A 62 94.088 9.246 13.639 1.00 0.00 C ATOM 984 O GLN A 62 94.796 8.878 12.699 1.00 0.00 O ATOM 985 CB GLN A 62 92.544 8.138 15.284 1.00 0.00 C ATOM 986 CG GLN A 62 91.074 7.794 15.559 1.00 0.00 C ATOM 987 CD GLN A 62 90.896 7.225 16.972 1.00 0.00 C ATOM 988 OE1 GLN A 62 91.850 7.143 17.753 1.00 0.00 O ATOM 989 NE2 GLN A 62 89.711 6.826 17.349 1.00 0.00 N ATOM 0 H GLN A 62 92.888 6.673 13.168 1.00 0.00 H new ATOM 0 HA GLN A 62 91.962 9.441 13.658 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.168 7.257 15.432 1.00 0.00 H new ATOM 0 HB3 GLN A 62 92.889 8.895 15.988 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.460 8.687 15.443 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.723 7.069 14.825 1.00 0.00 H new ATOM 0 HE21 GLN A 62 88.922 6.893 16.706 1.00 0.00 H new ATOM 0 HE22 GLN A 62 89.575 6.448 18.286 1.00 0.00 H new ATOM 998 N LYS A 63 94.463 10.174 14.527 1.00 0.00 N ATOM 999 CA LYS A 63 95.759 10.833 14.457 1.00 0.00 C ATOM 1000 C LYS A 63 96.889 9.854 14.736 1.00 0.00 C ATOM 1001 O LYS A 63 96.772 8.979 15.597 1.00 0.00 O ATOM 1002 CB LYS A 63 95.811 11.973 15.472 1.00 0.00 C ATOM 1003 CG LYS A 63 94.850 13.078 15.040 1.00 0.00 C ATOM 1004 CD LYS A 63 94.879 14.207 16.066 1.00 0.00 C ATOM 1005 CE LYS A 63 93.960 15.334 15.599 1.00 0.00 C ATOM 1006 NZ LYS A 63 93.991 16.442 16.594 1.00 0.00 N ATOM 0 H LYS A 63 93.879 10.482 15.304 1.00 0.00 H new ATOM 0 HA LYS A 63 95.887 11.227 13.449 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.540 11.606 16.462 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.825 12.365 15.544 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.133 13.457 14.058 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.839 12.681 14.949 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.556 13.838 17.040 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.897 14.578 16.187 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.280 15.698 14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 63 92.942 14.963 15.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 93.366 17.210 16.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 93.666 16.089 17.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 94.963 16.801 16.683 1.00 0.00 H new ATOM 1020 N GLU A 64 97.983 10.017 13.992 1.00 0.00 N ATOM 1021 CA GLU A 64 99.151 9.154 14.139 1.00 0.00 C ATOM 1022 C GLU A 64 98.768 7.683 13.999 1.00 0.00 C ATOM 1023 O GLU A 64 98.285 7.062 14.950 1.00 0.00 O ATOM 1024 CB GLU A 64 99.804 9.389 15.500 1.00 0.00 C ATOM 1025 CG GLU A 64 100.443 10.784 15.531 1.00 0.00 C ATOM 1026 CD GLU A 64 101.047 11.099 16.909 1.00 0.00 C ATOM 1027 OE1 GLU A 64 101.000 10.248 17.790 1.00 0.00 O ATOM 1028 OE2 GLU A 64 101.554 12.198 17.063 1.00 0.00 O ATOM 0 H GLU A 64 98.083 10.741 13.280 1.00 0.00 H new ATOM 0 HA GLU A 64 99.858 9.402 13.347 1.00 0.00 H new ATOM 0 HB2 GLU A 64 99.060 9.301 16.292 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.561 8.627 15.688 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.220 10.846 14.770 1.00 0.00 H new ATOM 0 HG3 GLU A 64 99.693 11.534 15.282 1.00 0.00 H new ATOM 1035 N SER A 65 98.994 7.137 12.805 1.00 0.00 N ATOM 1036 CA SER A 65 98.683 5.740 12.528 1.00 0.00 C ATOM 1037 C SER A 65 99.688 5.179 11.532 1.00 0.00 C ATOM 1038 O SER A 65 100.286 5.936 10.766 1.00 0.00 O ATOM 1039 CB SER A 65 97.272 5.632 11.950 1.00 0.00 C ATOM 1040 OG SER A 65 97.164 6.495 10.827 1.00 0.00 O ATOM 0 H SER A 65 99.392 7.644 12.014 1.00 0.00 H new ATOM 0 HA SER A 65 98.737 5.169 13.455 1.00 0.00 H new ATOM 0 HB2 SER A 65 97.064 4.603 11.656 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.534 5.903 12.705 1.00 0.00 H new ATOM 0 HG SER A 65 96.262 6.430 10.450 1.00 0.00 H new ATOM 1046 N THR A 66 99.877 3.857 11.548 1.00 0.00 N ATOM 1047 CA THR A 66 100.828 3.220 10.636 1.00 0.00 C ATOM 1048 C THR A 66 100.095 2.501 9.509 1.00 0.00 C ATOM 1049 O THR A 66 99.394 1.512 9.738 1.00 0.00 O ATOM 1050 CB THR A 66 101.700 2.227 11.406 1.00 0.00 C ATOM 1051 OG1 THR A 66 102.191 2.851 12.583 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.881 1.788 10.535 1.00 0.00 C ATOM 0 H THR A 66 99.391 3.215 12.174 1.00 0.00 H new ATOM 0 HA THR A 66 101.460 3.993 10.199 1.00 0.00 H new ATOM 0 HB THR A 66 101.104 1.353 11.671 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.749 2.218 13.081 1.00 0.00 H new ATOM 0 HG21 THR A 66 103.498 1.081 11.089 1.00 0.00 H new ATOM 0 HG22 THR A 66 102.507 1.311 9.629 1.00 0.00 H new ATOM 0 HG23 THR A 66 103.479 2.659 10.267 1.00 0.00 H new ATOM 1060 N LEU A 67 100.271 3.015 8.294 1.00 0.00 N ATOM 1061 CA LEU A 67 99.638 2.442 7.112 1.00 0.00 C ATOM 1062 C LEU A 67 100.583 1.466 6.427 1.00 0.00 C ATOM 1063 O LEU A 67 101.775 1.424 6.740 1.00 0.00 O ATOM 1064 CB LEU A 67 99.269 3.557 6.127 1.00 0.00 C ATOM 1065 CG LEU A 67 98.155 4.437 6.713 1.00 0.00 C ATOM 1066 CD1 LEU A 67 98.054 5.733 5.906 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.814 3.702 6.630 1.00 0.00 C ATOM 0 H LEU A 67 100.851 3.832 8.103 1.00 0.00 H new ATOM 0 HA LEU A 67 98.738 1.913 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 67 100.147 4.166 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.941 3.123 5.182 1.00 0.00 H new ATOM 0 HG LEU A 67 98.389 4.660 7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 67 97.264 6.359 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 67 99.003 6.267 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.823 5.498 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 67 96.028 4.331 7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.585 3.479 5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.873 2.772 7.196 1.00 0.00 H new ATOM 1079 N HIS A 68 100.044 0.692 5.488 1.00 0.00 N ATOM 1080 CA HIS A 68 100.842 -0.276 4.740 1.00 0.00 C ATOM 1081 C HIS A 68 100.778 0.036 3.252 1.00 0.00 C ATOM 1082 O HIS A 68 99.700 0.047 2.657 1.00 0.00 O ATOM 1083 CB HIS A 68 100.329 -1.700 4.999 1.00 0.00 C ATOM 1084 CG HIS A 68 101.004 -2.280 6.218 1.00 0.00 C ATOM 1085 ND1 HIS A 68 100.792 -1.784 7.495 1.00 0.00 N ATOM 1086 CD2 HIS A 68 101.910 -3.303 6.360 1.00 0.00 C ATOM 1087 CE1 HIS A 68 101.556 -2.501 8.341 1.00 0.00 C ATOM 1088 NE2 HIS A 68 102.258 -3.440 7.701 1.00 0.00 N ATOM 0 H HIS A 68 99.058 0.716 5.227 1.00 0.00 H new ATOM 0 HA HIS A 68 101.878 -0.209 5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 68 99.249 -1.685 5.144 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.525 -2.329 4.131 1.00 0.00 H new ATOM 0 HD2 HIS A 68 102.294 -3.909 5.553 1.00 0.00 H new ATOM 0 HE1 HIS A 68 101.596 -2.337 9.408 1.00 0.00 H new ATOM 0 HE2 HIS A 68 102.909 -4.112 8.107 1.00 0.00 H new ATOM 1096 N LEU A 69 101.945 0.291 2.663 1.00 0.00 N ATOM 1097 CA LEU A 69 102.031 0.609 1.243 1.00 0.00 C ATOM 1098 C LEU A 69 102.560 -0.585 0.467 1.00 0.00 C ATOM 1099 O LEU A 69 103.558 -1.194 0.859 1.00 0.00 O ATOM 1100 CB LEU A 69 102.963 1.808 1.024 1.00 0.00 C ATOM 1101 CG LEU A 69 102.862 2.286 -0.435 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.560 3.066 -0.629 1.00 0.00 C ATOM 1103 CD2 LEU A 69 104.053 3.186 -0.772 1.00 0.00 C ATOM 0 H LEU A 69 102.842 0.283 3.148 1.00 0.00 H new ATOM 0 HA LEU A 69 101.032 0.857 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.694 2.618 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 69 103.991 1.528 1.254 1.00 0.00 H new ATOM 0 HG LEU A 69 102.870 1.420 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.489 3.404 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.712 2.421 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.550 3.929 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.975 3.521 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.054 4.052 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 69 104.980 2.628 -0.640 1.00 0.00 H new ATOM 1115 N VAL A 70 101.899 -0.897 -0.645 1.00 0.00 N ATOM 1116 CA VAL A 70 102.306 -2.004 -1.503 1.00 0.00 C ATOM 1117 C VAL A 70 102.482 -1.450 -2.913 1.00 0.00 C ATOM 1118 O VAL A 70 101.781 -0.510 -3.296 1.00 0.00 O ATOM 1119 CB VAL A 70 101.235 -3.118 -1.498 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.719 -4.309 -2.340 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.970 -3.589 -0.057 1.00 0.00 C ATOM 0 H VAL A 70 101.074 -0.395 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 70 103.237 -2.440 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 70 100.313 -2.721 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.960 -5.092 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.894 -3.983 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.646 -4.699 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 70 100.214 -4.374 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.893 -3.978 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.616 -2.749 0.541 1.00 0.00 H new ATOM 1131 N LEU A 71 103.414 -2.021 -3.677 1.00 0.00 N ATOM 1132 CA LEU A 71 103.661 -1.555 -5.041 1.00 0.00 C ATOM 1133 C LEU A 71 103.156 -2.574 -6.051 1.00 0.00 C ATOM 1134 O LEU A 71 103.488 -3.759 -5.962 1.00 0.00 O ATOM 1135 CB LEU A 71 105.164 -1.327 -5.259 1.00 0.00 C ATOM 1136 CG LEU A 71 105.389 -0.565 -6.575 1.00 0.00 C ATOM 1137 CD1 LEU A 71 105.094 0.924 -6.370 1.00 0.00 C ATOM 1138 CD2 LEU A 71 106.843 -0.731 -7.030 1.00 0.00 C ATOM 0 H LEU A 71 104.004 -2.798 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 71 103.127 -0.616 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.580 -0.762 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.686 -2.283 -5.288 1.00 0.00 H new ATOM 0 HG LEU A 71 104.720 -0.969 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.255 1.459 -7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 71 104.058 1.050 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.758 1.324 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 71 106.996 -0.189 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.511 -0.334 -6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 71 107.057 -1.788 -7.185 1.00 0.00 H new ATOM 1150 N ARG A 72 102.364 -2.103 -7.019 1.00 0.00 N ATOM 1151 CA ARG A 72 101.828 -2.974 -8.055 1.00 0.00 C ATOM 1152 C ARG A 72 102.648 -2.808 -9.339 1.00 0.00 C ATOM 1153 O ARG A 72 102.327 -1.976 -10.192 1.00 0.00 O ATOM 1154 CB ARG A 72 100.357 -2.623 -8.319 1.00 0.00 C ATOM 1155 CG ARG A 72 99.772 -3.575 -9.369 1.00 0.00 C ATOM 1156 CD ARG A 72 98.399 -3.074 -9.794 1.00 0.00 C ATOM 1157 NE ARG A 72 97.430 -3.245 -8.707 1.00 0.00 N ATOM 1158 CZ ARG A 72 96.801 -4.414 -8.472 1.00 0.00 C ATOM 1159 NH1 ARG A 72 97.027 -5.476 -9.211 1.00 0.00 N ATOM 1160 NH2 ARG A 72 95.949 -4.494 -7.487 1.00 0.00 N ATOM 0 H ARG A 72 102.084 -1.126 -7.102 1.00 0.00 H new ATOM 0 HA ARG A 72 101.889 -4.011 -7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 72 99.786 -2.694 -7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 72 100.277 -1.593 -8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 72 100.434 -3.633 -10.233 1.00 0.00 H new ATOM 0 HG3 ARG A 72 99.693 -4.582 -8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 72 98.460 -2.022 -10.073 1.00 0.00 H new ATOM 0 HD3 ARG A 72 98.064 -3.619 -10.677 1.00 0.00 H new ATOM 0 HE ARG A 72 97.224 -2.448 -8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 72 97.691 -5.428 -9.983 1.00 0.00 H new ATOM 0 HH12 ARG A 72 96.538 -6.349 -9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 72 95.765 -3.677 -6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 72 95.467 -5.373 -7.300 1.00 0.00 H new ATOM 1174 N LEU A 73 103.700 -3.610 -9.464 1.00 0.00 N ATOM 1175 CA LEU A 73 104.562 -3.555 -10.639 1.00 0.00 C ATOM 1176 C LEU A 73 103.820 -4.088 -11.859 1.00 0.00 C ATOM 1177 O LEU A 73 102.973 -4.977 -11.732 1.00 0.00 O ATOM 1178 CB LEU A 73 105.828 -4.386 -10.396 1.00 0.00 C ATOM 1179 CG LEU A 73 106.703 -3.706 -9.335 1.00 0.00 C ATOM 1180 CD1 LEU A 73 107.767 -4.691 -8.848 1.00 0.00 C ATOM 1181 CD2 LEU A 73 107.396 -2.477 -9.939 1.00 0.00 C ATOM 0 H LEU A 73 103.976 -4.304 -8.769 1.00 0.00 H new ATOM 0 HA LEU A 73 104.844 -2.518 -10.822 1.00 0.00 H new ATOM 0 HB2 LEU A 73 105.557 -5.390 -10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 73 106.387 -4.494 -11.326 1.00 0.00 H new ATOM 0 HG LEU A 73 106.075 -3.394 -8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 73 108.390 -4.210 -8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 73 107.282 -5.565 -8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 73 108.388 -5.000 -9.688 1.00 0.00 H new ATOM 0 HD21 LEU A 73 108.016 -1.999 -9.180 1.00 0.00 H new ATOM 0 HD22 LEU A 73 108.022 -2.787 -10.776 1.00 0.00 H new ATOM 0 HD23 LEU A 73 106.644 -1.771 -10.290 1.00 0.00 H new ATOM 1193 N ARG A 74 104.148 -3.550 -13.038 1.00 0.00 N ATOM 1194 CA ARG A 74 103.511 -3.991 -14.275 1.00 0.00 C ATOM 1195 C ARG A 74 103.894 -5.443 -14.566 1.00 0.00 C ATOM 1196 O ARG A 74 103.046 -6.253 -14.948 1.00 0.00 O ATOM 1197 CB ARG A 74 103.949 -3.082 -15.429 1.00 0.00 C ATOM 1198 CG ARG A 74 103.222 -3.471 -16.720 1.00 0.00 C ATOM 1199 CD ARG A 74 103.727 -2.593 -17.862 1.00 0.00 C ATOM 1200 NE ARG A 74 103.253 -1.213 -17.698 1.00 0.00 N ATOM 1201 CZ ARG A 74 103.592 -0.223 -18.545 1.00 0.00 C ATOM 1202 NH1 ARG A 74 104.386 -0.438 -19.571 1.00 0.00 N ATOM 1203 NH2 ARG A 74 103.120 0.977 -18.346 1.00 0.00 N ATOM 0 H ARG A 74 104.845 -2.815 -13.158 1.00 0.00 H new ATOM 0 HA ARG A 74 102.428 -3.931 -14.169 1.00 0.00 H new ATOM 0 HB2 ARG A 74 103.735 -2.042 -15.183 1.00 0.00 H new ATOM 0 HB3 ARG A 74 105.027 -3.160 -15.573 1.00 0.00 H new ATOM 0 HG2 ARG A 74 103.398 -4.522 -16.948 1.00 0.00 H new ATOM 0 HG3 ARG A 74 102.146 -3.347 -16.598 1.00 0.00 H new ATOM 0 HD2 ARG A 74 104.817 -2.609 -17.886 1.00 0.00 H new ATOM 0 HD3 ARG A 74 103.381 -2.992 -18.816 1.00 0.00 H new ATOM 0 HE ARG A 74 102.642 -0.996 -16.911 1.00 0.00 H new ATOM 0 HH11 ARG A 74 104.760 -1.372 -19.740 1.00 0.00 H new ATOM 0 HH12 ARG A 74 104.628 0.329 -20.198 1.00 0.00 H new ATOM 0 HH21 ARG A 74 102.501 1.157 -17.555 1.00 0.00 H new ATOM 0 HH22 ARG A 74 103.370 1.735 -18.981 1.00 0.00 H new ATOM 1217 N GLY A 75 105.179 -5.754 -14.380 1.00 0.00 N ATOM 1218 CA GLY A 75 105.688 -7.103 -14.619 1.00 0.00 C ATOM 1219 C GLY A 75 106.943 -7.065 -15.483 1.00 0.00 C ATOM 1220 O GLY A 75 107.567 -6.012 -15.636 1.00 0.00 O ATOM 0 H GLY A 75 105.885 -5.089 -14.065 1.00 0.00 H new ATOM 0 HA2 GLY A 75 105.911 -7.586 -13.668 1.00 0.00 H new ATOM 0 HA3 GLY A 75 104.922 -7.704 -15.109 1.00 0.00 H new ATOM 1224 N GLY A 76 107.300 -8.222 -16.042 1.00 0.00 N ATOM 1225 CA GLY A 76 108.483 -8.328 -16.897 1.00 0.00 C ATOM 1226 C GLY A 76 108.101 -8.229 -18.370 1.00 0.00 C ATOM 1227 O GLY A 76 108.855 -7.632 -19.118 1.00 0.00 O ATOM 1228 OXT GLY A 76 107.058 -8.752 -18.726 1.00 0.00 O ATOM 0 H GLY A 76 106.789 -9.096 -15.919 1.00 0.00 H new ATOM 0 HA2 GLY A 76 109.190 -7.537 -16.647 1.00 0.00 H new ATOM 0 HA3 GLY A 76 108.987 -9.276 -16.711 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 115.177 -11.380 -9.843 1.00 0.00 N ATOM 1234 CA GLN B 198 115.003 -10.502 -8.651 1.00 0.00 C ATOM 1235 C GLN B 198 113.674 -10.820 -7.974 1.00 0.00 C ATOM 1236 O GLN B 198 112.623 -10.318 -8.382 1.00 0.00 O ATOM 1237 CB GLN B 198 115.031 -9.034 -9.093 1.00 0.00 C ATOM 1238 CG GLN B 198 116.416 -8.677 -9.642 1.00 0.00 C ATOM 1239 CD GLN B 198 117.458 -8.735 -8.527 1.00 0.00 C ATOM 1240 OE1 GLN B 198 117.290 -8.100 -7.485 1.00 0.00 O ATOM 1241 NE2 GLN B 198 118.526 -9.467 -8.683 1.00 0.00 N ATOM 0 HA GLN B 198 115.813 -10.678 -7.943 1.00 0.00 H new ATOM 0 HB2 GLN B 198 114.273 -8.861 -9.857 1.00 0.00 H new ATOM 0 HB3 GLN B 198 114.787 -8.387 -8.250 1.00 0.00 H new ATOM 0 HG2 GLN B 198 116.688 -9.368 -10.440 1.00 0.00 H new ATOM 0 HG3 GLN B 198 116.396 -7.678 -10.079 1.00 0.00 H new ATOM 0 HE21 GLN B 198 118.663 -9.992 -9.547 1.00 0.00 H new ATOM 0 HE22 GLN B 198 119.224 -9.515 -7.941 1.00 0.00 H new ATOM 1250 N VAL B 199 113.732 -11.658 -6.935 1.00 0.00 N ATOM 1251 CA VAL B 199 112.529 -12.047 -6.195 1.00 0.00 C ATOM 1252 C VAL B 199 112.629 -11.536 -4.757 1.00 0.00 C ATOM 1253 O VAL B 199 113.625 -11.779 -4.071 1.00 0.00 O ATOM 1254 CB VAL B 199 112.372 -13.583 -6.201 1.00 0.00 C ATOM 1255 CG1 VAL B 199 111.080 -13.991 -5.481 1.00 0.00 C ATOM 1256 CG2 VAL B 199 112.313 -14.100 -7.644 1.00 0.00 C ATOM 0 H VAL B 199 114.595 -12.078 -6.589 1.00 0.00 H new ATOM 0 HA VAL B 199 111.655 -11.607 -6.675 1.00 0.00 H new ATOM 0 HB VAL B 199 113.230 -14.015 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL B 199 110.984 -15.077 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL B 199 111.113 -13.642 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL B 199 110.224 -13.545 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL B 199 112.202 -15.184 -7.638 1.00 0.00 H new ATOM 0 HG22 VAL B 199 111.462 -13.651 -8.157 1.00 0.00 H new ATOM 0 HG23 VAL B 199 113.233 -13.832 -8.164 1.00 0.00 H new ATOM 1266 N THR B 200 111.588 -10.829 -4.316 1.00 0.00 N ATOM 1267 CA THR B 200 111.548 -10.281 -2.964 1.00 0.00 C ATOM 1268 C THR B 200 110.291 -10.754 -2.242 1.00 0.00 C ATOM 1269 O THR B 200 109.181 -10.595 -2.750 1.00 0.00 O ATOM 1270 CB THR B 200 111.569 -8.748 -3.034 1.00 0.00 C ATOM 1271 OG1 THR B 200 112.695 -8.330 -3.791 1.00 0.00 O ATOM 1272 CG2 THR B 200 111.665 -8.162 -1.623 1.00 0.00 C ATOM 0 H THR B 200 110.762 -10.623 -4.878 1.00 0.00 H new ATOM 0 HA THR B 200 112.419 -10.629 -2.409 1.00 0.00 H new ATOM 0 HB THR B 200 110.652 -8.398 -3.507 1.00 0.00 H new ATOM 0 HG1 THR B 200 112.711 -7.351 -3.840 1.00 0.00 H new ATOM 0 HG21 THR B 200 111.679 -7.074 -1.681 1.00 0.00 H new ATOM 0 HG22 THR B 200 110.804 -8.483 -1.037 1.00 0.00 H new ATOM 0 HG23 THR B 200 112.580 -8.512 -1.145 1.00 0.00 H new ATOM 1280 N LYS B 201 110.481 -11.329 -1.055 1.00 0.00 N ATOM 1281 CA LYS B 201 109.367 -11.824 -0.254 1.00 0.00 C ATOM 1282 C LYS B 201 108.853 -10.734 0.680 1.00 0.00 C ATOM 1283 O LYS B 201 109.634 -9.948 1.224 1.00 0.00 O ATOM 1284 CB LYS B 201 109.820 -13.040 0.553 1.00 0.00 C ATOM 1285 CG LYS B 201 110.083 -14.208 -0.401 1.00 0.00 C ATOM 1286 CD LYS B 201 110.674 -15.382 0.381 1.00 0.00 C ATOM 1287 CE LYS B 201 110.926 -16.554 -0.568 1.00 0.00 C ATOM 1288 NZ LYS B 201 111.524 -17.687 0.192 1.00 0.00 N ATOM 0 H LYS B 201 111.398 -11.463 -0.628 1.00 0.00 H new ATOM 0 HA LYS B 201 108.554 -12.115 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.724 -12.803 1.114 1.00 0.00 H new ATOM 0 HB3 LYS B 201 109.056 -13.314 1.280 1.00 0.00 H new ATOM 0 HG2 LYS B 201 109.155 -14.511 -0.887 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.770 -13.900 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS B 201 111.606 -15.081 0.859 1.00 0.00 H new ATOM 0 HD3 LYS B 201 109.991 -15.684 1.175 1.00 0.00 H new ATOM 0 HE2 LYS B 201 109.991 -16.867 -1.033 1.00 0.00 H new ATOM 0 HE3 LYS B 201 111.595 -16.248 -1.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 111.696 -18.485 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 112.424 -17.384 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 110.870 -17.984 0.944 1.00 0.00 H new ATOM 1302 N VAL B 202 107.534 -10.701 0.856 1.00 0.00 N ATOM 1303 CA VAL B 202 106.892 -9.713 1.724 1.00 0.00 C ATOM 1304 C VAL B 202 105.698 -10.338 2.441 1.00 0.00 C ATOM 1305 O VAL B 202 104.939 -11.108 1.849 1.00 0.00 O ATOM 1306 CB VAL B 202 106.443 -8.481 0.917 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.673 -7.744 0.373 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.549 -8.910 -0.257 1.00 0.00 C ATOM 0 H VAL B 202 106.886 -11.349 0.408 1.00 0.00 H new ATOM 0 HA VAL B 202 107.620 -9.387 2.467 1.00 0.00 H new ATOM 0 HB VAL B 202 105.878 -7.820 1.574 1.00 0.00 H new ATOM 0 HG11 VAL B 202 107.352 -6.873 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL B 202 108.301 -7.423 1.204 1.00 0.00 H new ATOM 0 HG13 VAL B 202 108.241 -8.412 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL B 202 105.239 -8.029 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL B 202 106.105 -9.581 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.668 -9.425 0.126 1.00 0.00 H new ATOM 1318 N ASP B 203 105.551 -9.997 3.721 1.00 0.00 N ATOM 1319 CA ASP B 203 104.461 -10.517 4.539 1.00 0.00 C ATOM 1320 C ASP B 203 103.149 -9.817 4.197 1.00 0.00 C ATOM 1321 O ASP B 203 103.155 -8.679 3.723 1.00 0.00 O ATOM 1322 CB ASP B 203 104.788 -10.298 6.016 1.00 0.00 C ATOM 1323 CG ASP B 203 106.026 -11.099 6.407 1.00 0.00 C ATOM 1324 OD1 ASP B 203 106.072 -12.275 6.085 1.00 0.00 O ATOM 1325 OD2 ASP B 203 106.911 -10.524 7.020 1.00 0.00 O ATOM 0 H ASP B 203 106.177 -9.360 4.214 1.00 0.00 H new ATOM 0 HA ASP B 203 104.348 -11.582 4.337 1.00 0.00 H new ATOM 0 HB2 ASP B 203 104.957 -9.238 6.205 1.00 0.00 H new ATOM 0 HB3 ASP B 203 103.941 -10.600 6.632 1.00 0.00 H new ATOM 1330 N CYS B 204 102.028 -10.500 4.452 1.00 0.00 N ATOM 1331 CA CYS B 204 100.706 -9.926 4.180 1.00 0.00 C ATOM 1332 C CYS B 204 100.159 -9.229 5.442 1.00 0.00 C ATOM 1333 O CYS B 204 100.044 -9.879 6.483 1.00 0.00 O ATOM 1334 CB CYS B 204 99.727 -11.025 3.754 1.00 0.00 C ATOM 1335 SG CYS B 204 98.093 -10.310 3.398 1.00 0.00 S ATOM 0 H CYS B 204 102.009 -11.442 4.843 1.00 0.00 H new ATOM 0 HA CYS B 204 100.808 -9.198 3.375 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.107 -11.538 2.871 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.641 -11.771 4.544 1.00 0.00 H new ATOM 1340 N PRO B 205 99.808 -7.940 5.397 1.00 0.00 N ATOM 1341 CA PRO B 205 99.263 -7.223 6.600 1.00 0.00 C ATOM 1342 C PRO B 205 97.822 -7.635 6.933 1.00 0.00 C ATOM 1343 O PRO B 205 97.279 -7.242 7.968 1.00 0.00 O ATOM 1344 CB PRO B 205 99.326 -5.743 6.209 1.00 0.00 C ATOM 1345 CG PRO B 205 99.260 -5.716 4.718 1.00 0.00 C ATOM 1346 CD PRO B 205 99.872 -7.028 4.224 1.00 0.00 C ATOM 0 HA PRO B 205 99.835 -7.459 7.497 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.498 -5.187 6.648 1.00 0.00 H new ATOM 0 HB3 PRO B 205 100.246 -5.282 6.569 1.00 0.00 H new ATOM 0 HG2 PRO B 205 98.229 -5.619 4.379 1.00 0.00 H new ATOM 0 HG3 PRO B 205 99.808 -4.861 4.322 1.00 0.00 H new ATOM 0 HD2 PRO B 205 99.315 -7.431 3.378 1.00 0.00 H new ATOM 0 HD3 PRO B 205 100.899 -6.884 3.890 1.00 0.00 H new ATOM 1354 N VAL B 206 97.211 -8.405 6.031 1.00 0.00 N ATOM 1355 CA VAL B 206 95.831 -8.858 6.190 1.00 0.00 C ATOM 1356 C VAL B 206 95.771 -10.201 6.916 1.00 0.00 C ATOM 1357 O VAL B 206 94.995 -10.376 7.859 1.00 0.00 O ATOM 1358 CB VAL B 206 95.189 -9.064 4.803 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.693 -9.378 4.945 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.359 -7.828 3.907 1.00 0.00 C ATOM 0 H VAL B 206 97.658 -8.730 5.174 1.00 0.00 H new ATOM 0 HA VAL B 206 95.302 -8.099 6.766 1.00 0.00 H new ATOM 0 HB VAL B 206 95.702 -9.904 4.335 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.256 -9.520 3.957 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.566 -10.287 5.532 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.193 -8.549 5.447 1.00 0.00 H new ATOM 0 HG21 VAL B 206 94.893 -8.013 2.939 1.00 0.00 H new ATOM 0 HG22 VAL B 206 94.884 -6.968 4.379 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.420 -7.624 3.766 1.00 0.00 H new ATOM 1370 N CYS B 207 96.557 -11.161 6.417 1.00 0.00 N ATOM 1371 CA CYS B 207 96.559 -12.517 6.958 1.00 0.00 C ATOM 1372 C CYS B 207 97.949 -12.963 7.456 1.00 0.00 C ATOM 1373 O CYS B 207 98.051 -13.931 8.215 1.00 0.00 O ATOM 1374 CB CYS B 207 96.032 -13.463 5.861 1.00 0.00 C ATOM 1375 SG CYS B 207 97.306 -13.775 4.598 1.00 0.00 S ATOM 0 H CYS B 207 97.200 -11.020 5.638 1.00 0.00 H new ATOM 0 HA CYS B 207 95.914 -12.547 7.836 1.00 0.00 H new ATOM 0 HB2 CYS B 207 95.721 -14.407 6.309 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.150 -13.026 5.392 1.00 0.00 H new ATOM 1380 N GLY B 208 99.009 -12.258 7.034 1.00 0.00 N ATOM 1381 CA GLY B 208 100.374 -12.600 7.454 1.00 0.00 C ATOM 1382 C GLY B 208 100.859 -13.880 6.778 1.00 0.00 C ATOM 1383 O GLY B 208 100.983 -14.924 7.422 1.00 0.00 O ATOM 0 H GLY B 208 98.948 -11.455 6.408 1.00 0.00 H new ATOM 0 HA2 GLY B 208 101.048 -11.779 7.209 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.403 -12.725 8.536 1.00 0.00 H new ATOM 1387 N VAL B 209 101.133 -13.781 5.477 1.00 0.00 N ATOM 1388 CA VAL B 209 101.612 -14.916 4.700 1.00 0.00 C ATOM 1389 C VAL B 209 102.810 -14.489 3.853 1.00 0.00 C ATOM 1390 O VAL B 209 102.789 -13.425 3.223 1.00 0.00 O ATOM 1391 CB VAL B 209 100.465 -15.459 3.820 1.00 0.00 C ATOM 1392 CG1 VAL B 209 100.968 -16.516 2.827 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.410 -16.103 4.718 1.00 0.00 C ATOM 0 H VAL B 209 101.029 -12.920 4.940 1.00 0.00 H new ATOM 0 HA VAL B 209 101.937 -15.715 5.367 1.00 0.00 H new ATOM 0 HB VAL B 209 100.047 -14.624 3.258 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.134 -16.876 2.225 1.00 0.00 H new ATOM 0 HG12 VAL B 209 101.722 -16.074 2.176 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.406 -17.350 3.375 1.00 0.00 H new ATOM 0 HG21 VAL B 209 98.596 -16.489 4.104 1.00 0.00 H new ATOM 0 HG22 VAL B 209 99.861 -16.921 5.280 1.00 0.00 H new ATOM 0 HG23 VAL B 209 99.019 -15.359 5.412 1.00 0.00 H new ATOM 1403 N ASN B 210 103.834 -15.337 3.833 1.00 0.00 N ATOM 1404 CA ASN B 210 105.024 -15.061 3.048 1.00 0.00 C ATOM 1405 C ASN B 210 104.681 -15.191 1.571 1.00 0.00 C ATOM 1406 O ASN B 210 104.215 -16.246 1.135 1.00 0.00 O ATOM 1407 CB ASN B 210 106.136 -16.042 3.413 1.00 0.00 C ATOM 1408 CG ASN B 210 107.475 -15.434 3.039 1.00 0.00 C ATOM 1409 OD1 ASN B 210 107.857 -15.452 1.872 1.00 0.00 O ATOM 1410 ND2 ASN B 210 108.208 -14.881 3.964 1.00 0.00 N ATOM 0 H ASN B 210 103.860 -16.216 4.350 1.00 0.00 H new ATOM 0 HA ASN B 210 105.373 -14.050 3.258 1.00 0.00 H new ATOM 0 HB2 ASN B 210 106.108 -16.263 4.480 1.00 0.00 H new ATOM 0 HB3 ASN B 210 105.992 -16.986 2.888 1.00 0.00 H new ATOM 0 HD21 ASN B 210 109.105 -14.460 3.720 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.885 -14.869 4.931 1.00 0.00 H new ATOM 1417 N ILE B 211 104.903 -14.117 0.811 1.00 0.00 N ATOM 1418 CA ILE B 211 104.600 -14.129 -0.626 1.00 0.00 C ATOM 1419 C ILE B 211 105.527 -13.156 -1.389 1.00 0.00 C ATOM 1420 O ILE B 211 105.768 -12.048 -0.903 1.00 0.00 O ATOM 1421 CB ILE B 211 103.125 -13.725 -0.891 1.00 0.00 C ATOM 1422 CG1 ILE B 211 102.158 -14.598 -0.053 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.820 -13.905 -2.392 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.714 -14.103 -0.199 1.00 0.00 C ATOM 0 H ILE B 211 105.286 -13.238 1.158 1.00 0.00 H new ATOM 0 HA ILE B 211 104.763 -15.146 -0.982 1.00 0.00 H new ATOM 0 HB ILE B 211 102.983 -12.684 -0.601 1.00 0.00 H new ATOM 0 HG12 ILE B 211 102.226 -15.637 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.452 -14.571 0.996 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.786 -13.624 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.486 -13.271 -2.977 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.972 -14.947 -2.672 1.00 0.00 H new ATOM 0 HD11 ILE B 211 100.052 -14.731 0.398 1.00 0.00 H new ATOM 0 HD12 ILE B 211 100.646 -13.072 0.147 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.416 -14.154 -1.246 1.00 0.00 H new ATOM 1436 N PRO B 212 106.020 -13.514 -2.584 1.00 0.00 N ATOM 1437 CA PRO B 212 106.881 -12.597 -3.390 1.00 0.00 C ATOM 1438 C PRO B 212 106.160 -11.285 -3.680 1.00 0.00 C ATOM 1439 O PRO B 212 104.936 -11.204 -3.546 1.00 0.00 O ATOM 1440 CB PRO B 212 107.160 -13.363 -4.689 1.00 0.00 C ATOM 1441 CG PRO B 212 106.899 -14.794 -4.377 1.00 0.00 C ATOM 1442 CD PRO B 212 105.836 -14.810 -3.287 1.00 0.00 C ATOM 0 HA PRO B 212 107.798 -12.330 -2.864 1.00 0.00 H new ATOM 0 HB2 PRO B 212 106.515 -13.014 -5.495 1.00 0.00 H new ATOM 0 HB3 PRO B 212 108.189 -13.215 -5.017 1.00 0.00 H new ATOM 0 HG2 PRO B 212 106.555 -15.328 -5.263 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.809 -15.290 -4.039 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.834 -14.897 -3.708 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.971 -15.654 -2.610 1.00 0.00 H new ATOM 1450 N GLU B 213 106.924 -10.275 -4.095 1.00 0.00 N ATOM 1451 CA GLU B 213 106.347 -8.972 -4.425 1.00 0.00 C ATOM 1452 C GLU B 213 105.611 -9.002 -5.771 1.00 0.00 C ATOM 1453 O GLU B 213 104.902 -8.048 -6.104 1.00 0.00 O ATOM 1454 CB GLU B 213 107.432 -7.894 -4.454 1.00 0.00 C ATOM 1455 CG GLU B 213 107.904 -7.592 -3.018 1.00 0.00 C ATOM 1456 CD GLU B 213 109.017 -6.527 -3.001 1.00 0.00 C ATOM 1457 OE1 GLU B 213 109.559 -6.294 -1.933 1.00 0.00 O ATOM 1458 OE2 GLU B 213 109.305 -5.947 -4.043 1.00 0.00 O ATOM 0 H GLU B 213 107.936 -10.332 -4.210 1.00 0.00 H new ATOM 0 HA GLU B 213 105.622 -8.733 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.274 -8.228 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU B 213 107.044 -6.987 -4.918 1.00 0.00 H new ATOM 0 HG2 GLU B 213 107.060 -7.247 -2.422 1.00 0.00 H new ATOM 0 HG3 GLU B 213 108.269 -8.508 -2.554 1.00 0.00 H new ATOM 1465 N SER B 214 105.778 -10.090 -6.534 1.00 0.00 N ATOM 1466 CA SER B 214 105.116 -10.226 -7.830 1.00 0.00 C ATOM 1467 C SER B 214 103.714 -10.811 -7.661 1.00 0.00 C ATOM 1468 O SER B 214 102.754 -10.329 -8.264 1.00 0.00 O ATOM 1469 CB SER B 214 105.945 -11.136 -8.738 1.00 0.00 C ATOM 1470 OG SER B 214 105.320 -11.233 -10.010 1.00 0.00 O ATOM 0 H SER B 214 106.364 -10.884 -6.274 1.00 0.00 H new ATOM 0 HA SER B 214 105.029 -9.238 -8.281 1.00 0.00 H new ATOM 0 HB2 SER B 214 106.954 -10.738 -8.846 1.00 0.00 H new ATOM 0 HB3 SER B 214 106.039 -12.126 -8.291 1.00 0.00 H new ATOM 0 HG SER B 214 105.852 -11.815 -10.592 1.00 0.00 H new ATOM 1476 N HIS B 215 103.615 -11.864 -6.846 1.00 0.00 N ATOM 1477 CA HIS B 215 102.330 -12.533 -6.598 1.00 0.00 C ATOM 1478 C HIS B 215 101.519 -11.826 -5.501 1.00 0.00 C ATOM 1479 O HIS B 215 100.411 -12.261 -5.180 1.00 0.00 O ATOM 1480 CB HIS B 215 102.569 -14.000 -6.189 1.00 0.00 C ATOM 1481 CG HIS B 215 102.605 -14.891 -7.408 1.00 0.00 C ATOM 1482 ND1 HIS B 215 103.790 -15.261 -8.026 1.00 0.00 N ATOM 1483 CD2 HIS B 215 101.602 -15.489 -8.133 1.00 0.00 C ATOM 1484 CE1 HIS B 215 103.474 -16.047 -9.073 1.00 0.00 C ATOM 1485 NE2 HIS B 215 102.153 -16.218 -9.183 1.00 0.00 N ATOM 0 H HIS B 215 104.405 -12.273 -6.347 1.00 0.00 H new ATOM 0 HA HIS B 215 101.757 -12.491 -7.524 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.509 -14.083 -5.643 1.00 0.00 H new ATOM 0 HB3 HIS B 215 101.779 -14.329 -5.514 1.00 0.00 H new ATOM 0 HD2 HIS B 215 100.546 -15.406 -7.920 1.00 0.00 H new ATOM 0 HE1 HIS B 215 104.200 -16.486 -9.742 1.00 0.00 H new ATOM 0 HE2 HIS B 215 101.655 -16.765 -9.885 1.00 0.00 H new ATOM 1493 N ILE B 216 102.071 -10.750 -4.930 1.00 0.00 N ATOM 1494 CA ILE B 216 101.389 -10.008 -3.874 1.00 0.00 C ATOM 1495 C ILE B 216 100.108 -9.349 -4.406 1.00 0.00 C ATOM 1496 O ILE B 216 99.107 -9.278 -3.695 1.00 0.00 O ATOM 1497 CB ILE B 216 102.354 -8.955 -3.287 1.00 0.00 C ATOM 1498 CG1 ILE B 216 101.726 -8.313 -2.038 1.00 0.00 C ATOM 1499 CG2 ILE B 216 102.682 -7.870 -4.330 1.00 0.00 C ATOM 1500 CD1 ILE B 216 101.799 -9.291 -0.860 1.00 0.00 C ATOM 0 H ILE B 216 102.986 -10.377 -5.183 1.00 0.00 H new ATOM 0 HA ILE B 216 101.094 -10.698 -3.084 1.00 0.00 H new ATOM 0 HB ILE B 216 103.283 -9.453 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE B 216 102.250 -7.390 -1.790 1.00 0.00 H new ATOM 0 HG13 ILE B 216 100.688 -8.046 -2.238 1.00 0.00 H new ATOM 0 HG21 ILE B 216 103.363 -7.140 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE B 216 103.152 -8.331 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE B 216 101.763 -7.371 -4.637 1.00 0.00 H new ATOM 0 HD11 ILE B 216 101.353 -8.832 0.022 1.00 0.00 H new ATOM 0 HD12 ILE B 216 101.255 -10.202 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE B 216 102.841 -9.536 -0.654 1.00 0.00 H new ATOM 1512 N ASN B 217 100.159 -8.856 -5.652 1.00 0.00 N ATOM 1513 CA ASN B 217 99.002 -8.191 -6.258 1.00 0.00 C ATOM 1514 C ASN B 217 97.803 -9.136 -6.336 1.00 0.00 C ATOM 1515 O ASN B 217 96.690 -8.764 -5.953 1.00 0.00 O ATOM 1516 CB ASN B 217 99.359 -7.691 -7.666 1.00 0.00 C ATOM 1517 CG ASN B 217 99.745 -8.860 -8.574 1.00 0.00 C ATOM 1518 OD1 ASN B 217 100.310 -9.850 -8.115 1.00 0.00 O ATOM 1519 ND2 ASN B 217 99.466 -8.802 -9.848 1.00 0.00 N ATOM 0 H ASN B 217 100.982 -8.905 -6.253 1.00 0.00 H new ATOM 0 HA ASN B 217 98.732 -7.343 -5.629 1.00 0.00 H new ATOM 0 HB2 ASN B 217 98.510 -7.157 -8.094 1.00 0.00 H new ATOM 0 HB3 ASN B 217 100.185 -6.982 -7.607 1.00 0.00 H new ATOM 0 HD21 ASN B 217 99.717 -9.578 -10.461 1.00 0.00 H new ATOM 0 HD22 ASN B 217 98.997 -7.981 -10.231 1.00 0.00 H new ATOM 1526 N LYS B 218 98.043 -10.359 -6.815 1.00 0.00 N ATOM 1527 CA LYS B 218 96.981 -11.357 -6.919 1.00 0.00 C ATOM 1528 C LYS B 218 96.499 -11.744 -5.530 1.00 0.00 C ATOM 1529 O LYS B 218 95.294 -11.843 -5.287 1.00 0.00 O ATOM 1530 CB LYS B 218 97.491 -12.595 -7.658 1.00 0.00 C ATOM 1531 CG LYS B 218 97.762 -12.241 -9.122 1.00 0.00 C ATOM 1532 CD LYS B 218 98.254 -13.486 -9.865 1.00 0.00 C ATOM 1533 CE LYS B 218 98.510 -13.140 -11.334 1.00 0.00 C ATOM 1534 NZ LYS B 218 98.969 -14.361 -12.059 1.00 0.00 N ATOM 0 H LYS B 218 98.957 -10.679 -7.134 1.00 0.00 H new ATOM 0 HA LYS B 218 96.149 -10.931 -7.480 1.00 0.00 H new ATOM 0 HB2 LYS B 218 98.403 -12.963 -7.187 1.00 0.00 H new ATOM 0 HB3 LYS B 218 96.755 -13.397 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS B 218 96.854 -11.861 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS B 218 98.508 -11.449 -9.184 1.00 0.00 H new ATOM 0 HD2 LYS B 218 99.169 -13.859 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS B 218 97.513 -14.282 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS B 218 97.600 -12.753 -11.792 1.00 0.00 H new ATOM 0 HE3 LYS B 218 99.263 -12.355 -11.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 99.143 -14.127 -13.057 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 99.848 -14.711 -11.627 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 98.236 -15.097 -11.999 1.00 0.00 H new ATOM 1548 N HIS B 219 97.452 -11.965 -4.625 1.00 0.00 N ATOM 1549 CA HIS B 219 97.116 -12.339 -3.257 1.00 0.00 C ATOM 1550 C HIS B 219 96.251 -11.260 -2.605 1.00 0.00 C ATOM 1551 O HIS B 219 95.292 -11.587 -1.914 1.00 0.00 O ATOM 1552 CB HIS B 219 98.385 -12.573 -2.426 1.00 0.00 C ATOM 1553 CG HIS B 219 97.987 -12.922 -1.011 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.458 -14.154 -0.668 1.00 0.00 N ATOM 1555 CD2 HIS B 219 97.975 -12.174 0.137 1.00 0.00 C ATOM 1556 CE1 HIS B 219 97.146 -14.108 0.640 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.441 -12.920 1.182 1.00 0.00 N ATOM 0 H HIS B 219 98.452 -11.892 -4.814 1.00 0.00 H new ATOM 0 HA HIS B 219 96.551 -13.270 -3.291 1.00 0.00 H new ATOM 0 HB2 HIS B 219 98.977 -13.379 -2.861 1.00 0.00 H new ATOM 0 HB3 HIS B 219 99.010 -11.680 -2.432 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.328 -14.950 -1.292 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.328 -11.156 0.218 1.00 0.00 H new ATOM 0 HE1 HIS B 219 96.710 -14.931 1.187 1.00 0.00 H new ATOM 1564 N LEU B 220 96.599 -9.991 -2.813 1.00 0.00 N ATOM 1565 CA LEU B 220 95.833 -8.897 -2.216 1.00 0.00 C ATOM 1566 C LEU B 220 94.400 -8.925 -2.741 1.00 0.00 C ATOM 1567 O LEU B 220 93.454 -8.692 -1.990 1.00 0.00 O ATOM 1568 CB LEU B 220 96.487 -7.543 -2.521 1.00 0.00 C ATOM 1569 CG LEU B 220 97.693 -7.319 -1.594 1.00 0.00 C ATOM 1570 CD1 LEU B 220 98.522 -6.143 -2.109 1.00 0.00 C ATOM 1571 CD2 LEU B 220 97.207 -7.009 -0.170 1.00 0.00 C ATOM 0 H LEU B 220 97.394 -9.697 -3.381 1.00 0.00 H new ATOM 0 HA LEU B 220 95.820 -9.029 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.808 -7.511 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.761 -6.741 -2.387 1.00 0.00 H new ATOM 0 HG LEU B 220 98.304 -8.222 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU B 220 99.377 -5.985 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.875 -6.361 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.906 -5.244 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU B 220 98.066 -6.851 0.482 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.592 -6.109 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.617 -7.846 0.203 1.00 0.00 H new ATOM 1583 N ASP B 221 94.257 -9.230 -4.030 1.00 0.00 N ATOM 1584 CA ASP B 221 92.944 -9.313 -4.662 1.00 0.00 C ATOM 1585 C ASP B 221 92.081 -10.386 -3.986 1.00 0.00 C ATOM 1586 O ASP B 221 90.862 -10.231 -3.888 1.00 0.00 O ATOM 1587 CB ASP B 221 93.115 -9.638 -6.150 1.00 0.00 C ATOM 1588 CG ASP B 221 93.361 -8.359 -6.942 1.00 0.00 C ATOM 1589 OD1 ASP B 221 92.514 -7.482 -6.887 1.00 0.00 O ATOM 1590 OD2 ASP B 221 94.388 -8.275 -7.595 1.00 0.00 O ATOM 0 H ASP B 221 95.038 -9.424 -4.657 1.00 0.00 H new ATOM 0 HA ASP B 221 92.440 -8.353 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.950 -10.325 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP B 221 92.224 -10.141 -6.525 1.00 0.00 H new ATOM 1595 N SER B 222 92.723 -11.463 -3.517 1.00 0.00 N ATOM 1596 CA SER B 222 92.011 -12.553 -2.842 1.00 0.00 C ATOM 1597 C SER B 222 91.814 -12.243 -1.355 1.00 0.00 C ATOM 1598 O SER B 222 90.696 -12.313 -0.840 1.00 0.00 O ATOM 1599 CB SER B 222 92.803 -13.852 -2.985 1.00 0.00 C ATOM 1600 OG SER B 222 94.025 -13.734 -2.269 1.00 0.00 O ATOM 0 H SER B 222 93.731 -11.602 -3.592 1.00 0.00 H new ATOM 0 HA SER B 222 91.032 -12.660 -3.309 1.00 0.00 H new ATOM 0 HB2 SER B 222 92.222 -14.691 -2.601 1.00 0.00 H new ATOM 0 HB3 SER B 222 93.002 -14.057 -4.037 1.00 0.00 H new ATOM 0 HG SER B 222 94.478 -12.905 -2.529 1.00 0.00 H new ATOM 1606 N CYS B 223 92.914 -11.906 -0.677 1.00 0.00 N ATOM 1607 CA CYS B 223 92.880 -11.589 0.753 1.00 0.00 C ATOM 1608 C CYS B 223 91.880 -10.468 1.032 1.00 0.00 C ATOM 1609 O CYS B 223 91.103 -10.544 1.985 1.00 0.00 O ATOM 1610 CB CYS B 223 94.288 -11.173 1.225 1.00 0.00 C ATOM 1611 SG CYS B 223 94.575 -11.776 2.913 1.00 0.00 S ATOM 0 H CYS B 223 93.842 -11.846 -1.097 1.00 0.00 H new ATOM 0 HA CYS B 223 92.563 -12.476 1.302 1.00 0.00 H new ATOM 0 HB2 CYS B 223 95.042 -11.579 0.551 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.385 -10.088 1.195 1.00 0.00 H new ATOM 1616 N LEU B 224 91.906 -9.436 0.189 1.00 0.00 N ATOM 1617 CA LEU B 224 90.996 -8.301 0.333 1.00 0.00 C ATOM 1618 C LEU B 224 89.548 -8.733 0.106 1.00 0.00 C ATOM 1619 O LEU B 224 88.641 -8.280 0.810 1.00 0.00 O ATOM 1620 CB LEU B 224 91.383 -7.196 -0.658 1.00 0.00 C ATOM 1621 CG LEU B 224 92.731 -6.590 -0.244 1.00 0.00 C ATOM 1622 CD1 LEU B 224 93.295 -5.760 -1.397 1.00 0.00 C ATOM 1623 CD2 LEU B 224 92.542 -5.687 0.985 1.00 0.00 C ATOM 0 H LEU B 224 92.548 -9.363 -0.601 1.00 0.00 H new ATOM 0 HA LEU B 224 91.079 -7.916 1.349 1.00 0.00 H new ATOM 0 HB2 LEU B 224 91.449 -7.604 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU B 224 90.615 -6.423 -0.676 1.00 0.00 H new ATOM 0 HG LEU B 224 93.423 -7.395 0.002 1.00 0.00 H new ATOM 0 HD11 LEU B 224 94.252 -5.330 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU B 224 93.437 -6.398 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU B 224 92.598 -4.959 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU B 224 93.502 -5.260 1.274 1.00 0.00 H new ATOM 0 HD22 LEU B 224 91.846 -4.884 0.743 1.00 0.00 H new ATOM 0 HD23 LEU B 224 92.143 -6.276 1.811 1.00 0.00 H new ATOM 1635 N SER B 225 89.342 -9.611 -0.879 1.00 0.00 N ATOM 1636 CA SER B 225 88.002 -10.106 -1.200 1.00 0.00 C ATOM 1637 C SER B 225 87.356 -10.766 0.018 1.00 0.00 C ATOM 1638 O SER B 225 86.139 -10.687 0.196 1.00 0.00 O ATOM 1639 CB SER B 225 88.075 -11.114 -2.349 1.00 0.00 C ATOM 1640 OG SER B 225 88.375 -10.431 -3.560 1.00 0.00 O ATOM 0 H SER B 225 90.084 -9.992 -1.466 1.00 0.00 H new ATOM 0 HA SER B 225 87.391 -9.255 -1.500 1.00 0.00 H new ATOM 0 HB2 SER B 225 88.840 -11.863 -2.142 1.00 0.00 H new ATOM 0 HB3 SER B 225 87.127 -11.644 -2.443 1.00 0.00 H new ATOM 0 HG SER B 225 89.265 -10.696 -3.873 1.00 0.00 H new ATOM 1646 N ARG B 226 88.179 -11.405 0.855 1.00 0.00 N ATOM 1647 CA ARG B 226 87.680 -12.069 2.058 1.00 0.00 C ATOM 1648 C ARG B 226 87.019 -11.047 2.976 1.00 0.00 C ATOM 1649 O ARG B 226 85.959 -11.307 3.547 1.00 0.00 O ATOM 1650 CB ARG B 226 88.837 -12.741 2.796 1.00 0.00 C ATOM 1651 CG ARG B 226 89.332 -13.941 1.986 1.00 0.00 C ATOM 1652 CD ARG B 226 90.528 -14.576 2.696 1.00 0.00 C ATOM 1653 NE ARG B 226 91.028 -15.718 1.922 1.00 0.00 N ATOM 1654 CZ ARG B 226 90.511 -16.958 2.032 1.00 0.00 C ATOM 1655 NH1 ARG B 226 89.522 -17.222 2.857 1.00 0.00 N ATOM 1656 NH2 ARG B 226 90.999 -17.918 1.296 1.00 0.00 N ATOM 0 H ARG B 226 89.188 -11.475 0.721 1.00 0.00 H new ATOM 0 HA ARG B 226 86.948 -12.823 1.769 1.00 0.00 H new ATOM 0 HB2 ARG B 226 89.649 -12.030 2.945 1.00 0.00 H new ATOM 0 HB3 ARG B 226 88.512 -13.065 3.785 1.00 0.00 H new ATOM 0 HG2 ARG B 226 88.532 -14.673 1.873 1.00 0.00 H new ATOM 0 HG3 ARG B 226 89.617 -13.624 0.983 1.00 0.00 H new ATOM 0 HD2 ARG B 226 91.320 -13.838 2.822 1.00 0.00 H new ATOM 0 HD3 ARG B 226 90.236 -14.903 3.694 1.00 0.00 H new ATOM 0 HE ARG B 226 91.800 -15.567 1.273 1.00 0.00 H new ATOM 0 HH11 ARG B 226 89.127 -16.479 3.434 1.00 0.00 H new ATOM 0 HH12 ARG B 226 89.150 -18.170 2.920 1.00 0.00 H new ATOM 0 HH21 ARG B 226 91.762 -17.726 0.647 1.00 0.00 H new ATOM 0 HH22 ARG B 226 90.617 -18.861 1.369 1.00 0.00 H new ATOM 1670 N GLU B 227 87.662 -9.887 3.108 1.00 0.00 N ATOM 1671 CA GLU B 227 87.142 -8.819 3.956 1.00 0.00 C ATOM 1672 C GLU B 227 85.729 -8.425 3.510 1.00 0.00 C ATOM 1673 O GLU B 227 84.875 -8.121 4.346 1.00 0.00 O ATOM 1674 CB GLU B 227 88.077 -7.606 3.897 1.00 0.00 C ATOM 1675 CG GLU B 227 87.666 -6.586 4.973 1.00 0.00 C ATOM 1676 CD GLU B 227 87.918 -7.140 6.386 1.00 0.00 C ATOM 1677 OE1 GLU B 227 87.238 -6.699 7.298 1.00 0.00 O ATOM 1678 OE2 GLU B 227 88.795 -7.981 6.542 1.00 0.00 O ATOM 0 H GLU B 227 88.541 -9.665 2.640 1.00 0.00 H new ATOM 0 HA GLU B 227 87.091 -9.177 4.984 1.00 0.00 H new ATOM 0 HB2 GLU B 227 89.108 -7.921 4.055 1.00 0.00 H new ATOM 0 HB3 GLU B 227 88.032 -7.147 2.910 1.00 0.00 H new ATOM 0 HG2 GLU B 227 88.227 -5.662 4.836 1.00 0.00 H new ATOM 0 HG3 GLU B 227 86.611 -6.338 4.859 1.00 0.00 H new ATOM 1685 N GLU B 228 85.493 -8.445 2.194 1.00 0.00 N ATOM 1686 CA GLU B 228 84.177 -8.104 1.636 1.00 0.00 C ATOM 1687 C GLU B 228 83.150 -9.226 1.872 1.00 0.00 C ATOM 1688 O GLU B 228 81.942 -8.986 1.797 1.00 0.00 O ATOM 1689 CB GLU B 228 84.309 -7.840 0.133 1.00 0.00 C ATOM 1690 CG GLU B 228 85.121 -6.558 -0.099 1.00 0.00 C ATOM 1691 CD GLU B 228 84.367 -5.327 0.417 1.00 0.00 C ATOM 1692 OE1 GLU B 228 83.147 -5.323 0.355 1.00 0.00 O ATOM 1693 OE2 GLU B 228 85.025 -4.405 0.873 1.00 0.00 O ATOM 0 H GLU B 228 86.194 -8.693 1.495 1.00 0.00 H new ATOM 0 HA GLU B 228 83.820 -7.209 2.145 1.00 0.00 H new ATOM 0 HB2 GLU B 228 84.798 -8.684 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU B 228 83.321 -7.742 -0.317 1.00 0.00 H new ATOM 0 HG2 GLU B 228 86.084 -6.637 0.406 1.00 0.00 H new ATOM 0 HG3 GLU B 228 85.328 -6.442 -1.163 1.00 0.00 H new ATOM 1700 N LYS B 229 83.637 -10.438 2.170 1.00 0.00 N ATOM 1701 CA LYS B 229 82.761 -11.583 2.439 1.00 0.00 C ATOM 1702 C LYS B 229 82.175 -11.499 3.850 1.00 0.00 C ATOM 1703 O LYS B 229 81.006 -11.831 4.063 1.00 0.00 O ATOM 1704 CB LYS B 229 83.543 -12.891 2.278 1.00 0.00 C ATOM 1705 CG LYS B 229 83.972 -13.073 0.816 1.00 0.00 C ATOM 1706 CD LYS B 229 82.766 -13.468 -0.046 1.00 0.00 C ATOM 1707 CE LYS B 229 83.207 -13.649 -1.501 1.00 0.00 C ATOM 1708 NZ LYS B 229 82.040 -14.072 -2.324 1.00 0.00 N ATOM 0 H LYS B 229 84.633 -10.649 2.231 1.00 0.00 H new ATOM 0 HA LYS B 229 81.941 -11.563 1.722 1.00 0.00 H new ATOM 0 HB2 LYS B 229 84.421 -12.881 2.924 1.00 0.00 H new ATOM 0 HB3 LYS B 229 82.926 -13.733 2.592 1.00 0.00 H new ATOM 0 HG2 LYS B 229 84.409 -12.148 0.440 1.00 0.00 H new ATOM 0 HG3 LYS B 229 84.743 -13.840 0.749 1.00 0.00 H new ATOM 0 HD2 LYS B 229 82.327 -14.393 0.328 1.00 0.00 H new ATOM 0 HD3 LYS B 229 81.995 -12.700 0.017 1.00 0.00 H new ATOM 0 HE2 LYS B 229 83.618 -12.716 -1.886 1.00 0.00 H new ATOM 0 HE3 LYS B 229 83.999 -14.396 -1.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 82.339 -14.195 -3.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 81.667 -14.972 -1.960 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 81.298 -13.345 -2.275 1.00 0.00 H new ATOM 1722 N LYS B 230 83.006 -11.071 4.807 1.00 0.00 N ATOM 1723 CA LYS B 230 82.577 -10.961 6.203 1.00 0.00 C ATOM 1724 C LYS B 230 81.399 -10.002 6.339 1.00 0.00 C ATOM 1725 O LYS B 230 80.449 -10.284 7.077 1.00 0.00 O ATOM 1726 CB LYS B 230 83.737 -10.469 7.075 1.00 0.00 C ATOM 1727 CG LYS B 230 84.805 -11.560 7.170 1.00 0.00 C ATOM 1728 CD LYS B 230 85.953 -11.074 8.057 1.00 0.00 C ATOM 1729 CE LYS B 230 87.010 -12.174 8.178 1.00 0.00 C ATOM 1730 NZ LYS B 230 88.128 -11.699 9.044 1.00 0.00 N ATOM 0 H LYS B 230 83.974 -10.797 4.640 1.00 0.00 H new ATOM 0 HA LYS B 230 82.263 -11.950 6.536 1.00 0.00 H new ATOM 0 HB2 LYS B 230 84.166 -9.562 6.649 1.00 0.00 H new ATOM 0 HB3 LYS B 230 83.374 -10.213 8.071 1.00 0.00 H new ATOM 0 HG2 LYS B 230 84.373 -12.472 7.583 1.00 0.00 H new ATOM 0 HG3 LYS B 230 85.178 -11.806 6.176 1.00 0.00 H new ATOM 0 HD2 LYS B 230 86.398 -10.174 7.633 1.00 0.00 H new ATOM 0 HD3 LYS B 230 85.576 -10.808 9.044 1.00 0.00 H new ATOM 0 HE2 LYS B 230 86.566 -13.075 8.602 1.00 0.00 H new ATOM 0 HE3 LYS B 230 87.388 -12.439 7.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 88.846 -12.447 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 88.558 -10.851 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 87.761 -11.467 9.989 1.00 0.00 H new ATOM 1744 N GLU B 231 81.464 -8.875 5.621 1.00 0.00 N ATOM 1745 CA GLU B 231 80.391 -7.885 5.670 1.00 0.00 C ATOM 1746 C GLU B 231 79.076 -8.506 5.196 1.00 0.00 C ATOM 1747 O GLU B 231 78.155 -8.705 5.994 1.00 0.00 O ATOM 1748 CB GLU B 231 80.750 -6.672 4.796 1.00 0.00 C ATOM 1749 CG GLU B 231 81.946 -5.926 5.408 1.00 0.00 C ATOM 1750 CD GLU B 231 82.407 -4.767 4.508 1.00 0.00 C ATOM 1751 OE1 GLU B 231 83.408 -4.159 4.846 1.00 0.00 O ATOM 1752 OE2 GLU B 231 81.758 -4.493 3.505 1.00 0.00 O ATOM 0 H GLU B 231 82.241 -8.631 5.007 1.00 0.00 H new ATOM 0 HA GLU B 231 80.269 -7.552 6.701 1.00 0.00 H new ATOM 0 HB2 GLU B 231 80.992 -7.000 3.785 1.00 0.00 H new ATOM 0 HB3 GLU B 231 79.893 -6.002 4.717 1.00 0.00 H new ATOM 0 HG2 GLU B 231 81.672 -5.539 6.389 1.00 0.00 H new ATOM 0 HG3 GLU B 231 82.772 -6.622 5.559 1.00 0.00 H new ATOM 1759 N SER B 232 78.998 -8.800 3.895 1.00 0.00 N ATOM 1760 CA SER B 232 77.798 -9.385 3.305 1.00 0.00 C ATOM 1761 C SER B 232 78.141 -10.141 2.027 1.00 0.00 C ATOM 1762 O SER B 232 79.187 -9.904 1.420 1.00 0.00 O ATOM 1763 CB SER B 232 76.798 -8.276 2.981 1.00 0.00 C ATOM 1764 OG SER B 232 76.463 -7.583 4.175 1.00 0.00 O ATOM 0 H SER B 232 79.756 -8.641 3.231 1.00 0.00 H new ATOM 0 HA SER B 232 77.363 -10.083 4.021 1.00 0.00 H new ATOM 0 HB2 SER B 232 77.226 -7.586 2.254 1.00 0.00 H new ATOM 0 HB3 SER B 232 75.901 -8.700 2.529 1.00 0.00 H new ATOM 0 HG SER B 232 75.823 -6.870 3.971 1.00 0.00 H new ATOM 1770 N LEU B 233 77.246 -11.045 1.623 1.00 0.00 N ATOM 1771 CA LEU B 233 77.453 -11.829 0.411 1.00 0.00 C ATOM 1772 C LEU B 233 76.934 -11.067 -0.804 1.00 0.00 C ATOM 1773 O LEU B 233 75.754 -10.714 -0.864 1.00 0.00 O ATOM 1774 CB LEU B 233 76.724 -13.168 0.525 1.00 0.00 C ATOM 1775 CG LEU B 233 77.405 -14.050 1.585 1.00 0.00 C ATOM 1776 CD1 LEU B 233 76.487 -15.219 1.942 1.00 0.00 C ATOM 1777 CD2 LEU B 233 78.723 -14.607 1.026 1.00 0.00 C ATOM 0 H LEU B 233 76.377 -11.249 2.116 1.00 0.00 H new ATOM 0 HA LEU B 233 78.521 -12.009 0.289 1.00 0.00 H new ATOM 0 HB2 LEU B 233 75.681 -13.002 0.794 1.00 0.00 H new ATOM 0 HB3 LEU B 233 76.727 -13.676 -0.439 1.00 0.00 H new ATOM 0 HG LEU B 233 77.606 -13.450 2.473 1.00 0.00 H new ATOM 0 HD11 LEU B 233 76.969 -15.844 2.693 1.00 0.00 H new ATOM 0 HD12 LEU B 233 75.547 -14.835 2.338 1.00 0.00 H new ATOM 0 HD13 LEU B 233 76.289 -15.812 1.049 1.00 0.00 H new ATOM 0 HD21 LEU B 233 79.203 -15.231 1.780 1.00 0.00 H new ATOM 0 HD22 LEU B 233 78.518 -15.204 0.137 1.00 0.00 H new ATOM 0 HD23 LEU B 233 79.385 -13.781 0.764 1.00 0.00 H new ATOM 1789 N ARG B 234 77.826 -10.820 -1.764 1.00 0.00 N ATOM 1790 CA ARG B 234 77.462 -10.094 -2.979 1.00 0.00 C ATOM 1791 C ARG B 234 77.076 -11.058 -4.095 1.00 0.00 C ATOM 1792 O ARG B 234 77.624 -12.158 -4.195 1.00 0.00 O ATOM 1793 CB ARG B 234 78.631 -9.224 -3.442 1.00 0.00 C ATOM 1794 CG ARG B 234 78.855 -8.097 -2.433 1.00 0.00 C ATOM 1795 CD ARG B 234 80.028 -7.227 -2.887 1.00 0.00 C ATOM 1796 NE ARG B 234 80.258 -6.144 -1.922 1.00 0.00 N ATOM 1797 CZ ARG B 234 79.642 -4.948 -2.004 1.00 0.00 C ATOM 1798 NH1 ARG B 234 78.780 -4.674 -2.959 1.00 0.00 N ATOM 1799 NH2 ARG B 234 79.908 -4.036 -1.110 1.00 0.00 N ATOM 0 H ARG B 234 78.803 -11.111 -1.723 1.00 0.00 H new ATOM 0 HA ARG B 234 76.604 -9.462 -2.749 1.00 0.00 H new ATOM 0 HB2 ARG B 234 79.534 -9.828 -3.536 1.00 0.00 H new ATOM 0 HB3 ARG B 234 78.422 -8.808 -4.428 1.00 0.00 H new ATOM 0 HG2 ARG B 234 77.953 -7.491 -2.343 1.00 0.00 H new ATOM 0 HG3 ARG B 234 79.059 -8.514 -1.447 1.00 0.00 H new ATOM 0 HD2 ARG B 234 80.927 -7.836 -2.982 1.00 0.00 H new ATOM 0 HD3 ARG B 234 79.820 -6.809 -3.872 1.00 0.00 H new ATOM 0 HE ARG B 234 80.913 -6.304 -1.156 1.00 0.00 H new ATOM 0 HH11 ARG B 234 78.561 -5.377 -3.665 1.00 0.00 H new ATOM 0 HH12 ARG B 234 78.331 -3.759 -2.993 1.00 0.00 H new ATOM 0 HH21 ARG B 234 80.574 -4.233 -0.363 1.00 0.00 H new ATOM 0 HH22 ARG B 234 79.450 -3.126 -1.158 1.00 0.00 H new ATOM 1813 N SER B 235 76.132 -10.623 -4.932 1.00 0.00 N ATOM 1814 CA SER B 235 75.667 -11.434 -6.055 1.00 0.00 C ATOM 1815 C SER B 235 76.725 -11.463 -7.153 1.00 0.00 C ATOM 1816 O SER B 235 77.755 -10.791 -7.046 1.00 0.00 O ATOM 1817 CB SER B 235 74.364 -10.859 -6.613 1.00 0.00 C ATOM 1818 OG SER B 235 73.296 -11.162 -5.724 1.00 0.00 O ATOM 0 H SER B 235 75.676 -9.714 -4.852 1.00 0.00 H new ATOM 0 HA SER B 235 75.489 -12.450 -5.703 1.00 0.00 H new ATOM 0 HB2 SER B 235 74.453 -9.780 -6.737 1.00 0.00 H new ATOM 0 HB3 SER B 235 74.161 -11.278 -7.599 1.00 0.00 H new ATOM 0 HG SER B 235 72.460 -10.793 -6.079 1.00 0.00 H new ATOM 1824 N SER B 236 76.465 -12.247 -8.203 1.00 0.00 N ATOM 1825 CA SER B 236 77.403 -12.366 -9.322 1.00 0.00 C ATOM 1826 C SER B 236 78.774 -12.815 -8.814 1.00 0.00 C ATOM 1827 O SER B 236 79.651 -11.991 -8.530 1.00 0.00 O ATOM 1828 CB SER B 236 77.522 -11.022 -10.053 1.00 0.00 C ATOM 1829 OG SER B 236 77.944 -11.251 -11.393 1.00 0.00 O ATOM 0 H SER B 236 75.617 -12.806 -8.301 1.00 0.00 H new ATOM 0 HA SER B 236 77.027 -13.114 -10.020 1.00 0.00 H new ATOM 0 HB2 SER B 236 76.563 -10.505 -10.045 1.00 0.00 H new ATOM 0 HB3 SER B 236 78.236 -10.378 -9.540 1.00 0.00 H new ATOM 0 HG SER B 236 78.019 -10.394 -11.863 1.00 0.00 H new ATOM 1835 N VAL B 237 78.942 -14.134 -8.692 1.00 0.00 N ATOM 1836 CA VAL B 237 80.201 -14.709 -8.208 1.00 0.00 C ATOM 1837 C VAL B 237 80.679 -15.790 -9.182 1.00 0.00 C ATOM 1838 O VAL B 237 79.887 -16.620 -9.639 1.00 0.00 O ATOM 1839 CB VAL B 237 80.016 -15.307 -6.798 1.00 0.00 C ATOM 1840 CG1 VAL B 237 81.354 -15.840 -6.266 1.00 0.00 C ATOM 1841 CG2 VAL B 237 79.497 -14.233 -5.836 1.00 0.00 C ATOM 0 H VAL B 237 78.225 -14.823 -8.921 1.00 0.00 H new ATOM 0 HA VAL B 237 80.951 -13.920 -8.149 1.00 0.00 H new ATOM 0 HB VAL B 237 79.297 -16.124 -6.864 1.00 0.00 H new ATOM 0 HG11 VAL B 237 81.209 -16.259 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL B 237 81.729 -16.615 -6.935 1.00 0.00 H new ATOM 0 HG13 VAL B 237 82.076 -15.025 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL B 237 79.370 -14.665 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL B 237 80.213 -13.413 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL B 237 78.539 -13.857 -6.194 1.00 0.00 H new ATOM 1851 N HIS B 238 81.975 -15.763 -9.490 1.00 0.00 N ATOM 1852 CA HIS B 238 82.566 -16.735 -10.409 1.00 0.00 C ATOM 1853 C HIS B 238 82.344 -18.154 -9.900 1.00 0.00 C ATOM 1854 O HIS B 238 81.960 -19.042 -10.665 1.00 0.00 O ATOM 1855 CB HIS B 238 84.065 -16.470 -10.554 1.00 0.00 C ATOM 1856 CG HIS B 238 84.281 -15.192 -11.317 1.00 0.00 C ATOM 1857 ND1 HIS B 238 84.098 -15.112 -12.688 1.00 0.00 N ATOM 1858 CD2 HIS B 238 84.666 -13.936 -10.916 1.00 0.00 C ATOM 1859 CE1 HIS B 238 84.371 -13.849 -13.061 1.00 0.00 C ATOM 1860 NE2 HIS B 238 84.722 -13.089 -12.019 1.00 0.00 N ATOM 0 H HIS B 238 82.635 -15.080 -9.117 1.00 0.00 H new ATOM 0 HA HIS B 238 82.084 -16.631 -11.381 1.00 0.00 H new ATOM 0 HB2 HIS B 238 84.529 -16.401 -9.570 1.00 0.00 H new ATOM 0 HB3 HIS B 238 84.543 -17.301 -11.074 1.00 0.00 H new ATOM 0 HD2 HIS B 238 84.891 -13.649 -9.899 1.00 0.00 H new ATOM 0 HE1 HIS B 238 84.314 -13.492 -14.079 1.00 0.00 H new ATOM 0 HE2 HIS B 238 84.976 -12.101 -12.030 1.00 0.00 H new ATOM 1868 N LYS B 239 82.589 -18.354 -8.604 1.00 0.00 N ATOM 1869 CA LYS B 239 82.412 -19.668 -7.982 1.00 0.00 C ATOM 1870 C LYS B 239 81.208 -19.658 -7.045 1.00 0.00 C ATOM 1871 O LYS B 239 80.996 -18.696 -6.304 1.00 0.00 O ATOM 1872 CB LYS B 239 83.675 -20.045 -7.197 1.00 0.00 C ATOM 1873 CG LYS B 239 84.868 -20.198 -8.152 1.00 0.00 C ATOM 1874 CD LYS B 239 84.737 -21.496 -8.960 1.00 0.00 C ATOM 1875 CE LYS B 239 85.924 -21.626 -9.918 1.00 0.00 C ATOM 1876 NZ LYS B 239 85.805 -22.899 -10.683 1.00 0.00 N ATOM 0 H LYS B 239 82.910 -17.626 -7.966 1.00 0.00 H new ATOM 0 HA LYS B 239 82.239 -20.404 -8.767 1.00 0.00 H new ATOM 0 HB2 LYS B 239 83.892 -19.279 -6.453 1.00 0.00 H new ATOM 0 HB3 LYS B 239 83.511 -20.977 -6.656 1.00 0.00 H new ATOM 0 HG2 LYS B 239 84.914 -19.344 -8.827 1.00 0.00 H new ATOM 0 HG3 LYS B 239 85.799 -20.207 -7.585 1.00 0.00 H new ATOM 0 HD2 LYS B 239 84.704 -22.353 -8.288 1.00 0.00 H new ATOM 0 HD3 LYS B 239 83.802 -21.494 -9.521 1.00 0.00 H new ATOM 0 HE2 LYS B 239 85.948 -20.778 -10.603 1.00 0.00 H new ATOM 0 HE3 LYS B 239 86.860 -21.611 -9.359 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 86.611 -22.989 -11.334 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 85.802 -23.702 -10.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 84.919 -22.896 -11.227 1.00 0.00 H new ATOM 1890 N ARG B 240 80.425 -20.738 -7.088 1.00 0.00 N ATOM 1891 CA ARG B 240 79.236 -20.856 -6.244 1.00 0.00 C ATOM 1892 C ARG B 240 78.737 -22.302 -6.208 1.00 0.00 C ATOM 1893 O ARG B 240 77.925 -22.608 -5.351 1.00 0.00 O ATOM 1894 CB ARG B 240 78.128 -19.920 -6.760 1.00 0.00 C ATOM 1895 CG ARG B 240 77.736 -20.286 -8.201 1.00 0.00 C ATOM 1896 CD ARG B 240 76.669 -19.312 -8.707 1.00 0.00 C ATOM 1897 NE ARG B 240 75.436 -19.457 -7.924 1.00 0.00 N ATOM 1898 CZ ARG B 240 74.518 -20.410 -8.179 1.00 0.00 C ATOM 1899 NH1 ARG B 240 74.677 -21.277 -9.153 1.00 0.00 N ATOM 1900 NH2 ARG B 240 73.446 -20.474 -7.439 1.00 0.00 N ATOM 1901 OXT ARG B 240 79.179 -23.080 -7.039 1.00 0.00 O ATOM 0 H ARG B 240 80.592 -21.540 -7.696 1.00 0.00 H new ATOM 0 HA ARG B 240 79.502 -20.563 -5.228 1.00 0.00 H new ATOM 0 HB2 ARG B 240 77.255 -19.990 -6.111 1.00 0.00 H new ATOM 0 HB3 ARG B 240 78.471 -18.886 -6.722 1.00 0.00 H new ATOM 0 HG2 ARG B 240 78.613 -20.249 -8.848 1.00 0.00 H new ATOM 0 HG3 ARG B 240 77.357 -21.307 -8.237 1.00 0.00 H new ATOM 0 HD2 ARG B 240 77.037 -18.289 -8.633 1.00 0.00 H new ATOM 0 HD3 ARG B 240 76.464 -19.502 -9.760 1.00 0.00 H new ATOM 0 HE ARG B 240 75.267 -18.809 -7.154 1.00 0.00 H new ATOM 0 HH11 ARG B 240 75.511 -21.239 -9.738 1.00 0.00 H new ATOM 0 HH12 ARG B 240 73.966 -21.988 -9.324 1.00 0.00 H new ATOM 0 HH21 ARG B 240 73.311 -19.808 -6.679 1.00 0.00 H new ATOM 0 HH22 ARG B 240 72.743 -21.190 -7.621 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 96.858 -12.213 2.958 1.00 0.00 ZN