USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 219 HIS HE2 : B 219 HIS NE2 : B 300 ZNZN :(H bumps) USER MOD Set 1.1: B 214 SER OG : rot 180:sc= -0.0196 USER MOD Set 1.2: B 215 HIS : no HE2:sc= 0.0113 X(o=-0.0083,f=-0.35) USER MOD Set 2.1: A 7 THR OG1 : rot 110:sc= 0.834 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 MET CE :methyl -148:sc= -0.237 (180deg=-1.32) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.15 (180deg=0.779) USER MOD Single : A 2 GLN : amide:sc= -3.5 X(o=-3.5,f=-3.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -80:sc= 1.65 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0551 USER MOD Single : A 25 ASN : amide:sc= -4.09 K(o=-4.1,f=-6.9!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.476 (180deg=-0.073) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.81 K(o=-1.8,f=-2.3) USER MOD Single : A 33 LYS NZ :NH3+ -136:sc= -1.55 (180deg=-4.71!) USER MOD Single : A 40 GLN : amide:sc= -2.16 K(o=-2.2,f=-1.5!) USER MOD Single : A 41 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.37) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.56) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -1.21 USER MOD Single : A 59 TYR OH : rot -150:sc= -0.474 USER MOD Single : A 60 ASN : amide:sc= -0.0314 K(o=-0.031,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 103:sc= 0.785 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.667 X(o=-0.67,f=-0.5) USER MOD Single : B 198 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.199 X(o=-0.2,f=-0.041) USER MOD Single : B 217 ASN : amide:sc= -0.598 K(o=-0.6,f=-2.9!) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 SER OG : rot 180:sc= 0 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 LYS NZ :NH3+ -161:sc= -0.0336 (180deg=-0.357) USER MOD Single : B 232 SER OG : rot 180:sc= 0 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) USER MOD Single : B 239 LYS NZ :NH3+ -164:sc= -0.0266 (180deg=-0.322) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.143 15.530 10.165 1.00 0.00 N ATOM 2 CA MET A 1 96.812 14.778 11.266 1.00 0.00 C ATOM 3 C MET A 1 98.060 14.097 10.732 1.00 0.00 C ATOM 4 O MET A 1 98.093 13.659 9.576 1.00 0.00 O ATOM 5 CB MET A 1 95.866 13.716 11.855 1.00 0.00 C ATOM 6 CG MET A 1 95.330 12.803 10.746 1.00 0.00 C ATOM 7 SD MET A 1 94.309 11.495 11.464 1.00 0.00 S ATOM 8 CE MET A 1 94.047 10.561 9.939 1.00 0.00 C ATOM 0 H1 MET A 1 95.134 15.647 10.388 1.00 0.00 H new ATOM 0 H2 MET A 1 96.586 16.465 10.064 1.00 0.00 H new ATOM 0 H3 MET A 1 96.242 15.002 9.274 1.00 0.00 H new ATOM 0 HA MET A 1 97.080 15.483 12.052 1.00 0.00 H new ATOM 0 HB2 MET A 1 96.395 13.122 12.600 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.036 14.203 12.367 1.00 0.00 H new ATOM 0 HG2 MET A 1 94.743 13.385 10.036 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.160 12.365 10.191 1.00 0.00 H new ATOM 0 HE1 MET A 1 93.067 10.086 9.967 1.00 0.00 H new ATOM 0 HE2 MET A 1 94.098 11.237 9.085 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.818 9.797 9.843 1.00 0.00 H new ATOM 20 N GLN A 2 99.073 14.000 11.588 1.00 0.00 N ATOM 21 CA GLN A 2 100.313 13.350 11.207 1.00 0.00 C ATOM 22 C GLN A 2 100.151 11.839 11.291 1.00 0.00 C ATOM 23 O GLN A 2 99.849 11.291 12.354 1.00 0.00 O ATOM 24 CB GLN A 2 101.468 13.790 12.112 1.00 0.00 C ATOM 25 CG GLN A 2 102.810 13.163 11.647 1.00 0.00 C ATOM 26 CD GLN A 2 103.448 12.382 12.789 1.00 0.00 C ATOM 27 OE1 GLN A 2 102.799 11.527 13.391 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.683 12.625 13.120 1.00 0.00 N ATOM 0 H GLN A 2 99.056 14.361 12.542 1.00 0.00 H new ATOM 0 HA GLN A 2 100.546 13.640 10.183 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.548 14.877 12.103 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.262 13.494 13.141 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.636 12.503 10.797 1.00 0.00 H new ATOM 0 HG3 GLN A 2 103.488 13.946 11.309 1.00 0.00 H new ATOM 0 HE21 GLN A 2 105.216 13.335 12.617 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.118 12.106 13.882 1.00 0.00 H new ATOM 37 N ILE A 3 100.362 11.183 10.160 1.00 0.00 N ATOM 38 CA ILE A 3 100.256 9.734 10.076 1.00 0.00 C ATOM 39 C ILE A 3 101.558 9.168 9.538 1.00 0.00 C ATOM 40 O ILE A 3 102.366 9.904 8.967 1.00 0.00 O ATOM 41 CB ILE A 3 99.077 9.325 9.174 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.253 9.920 7.763 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.771 9.837 9.795 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.288 9.239 6.786 1.00 0.00 C ATOM 0 H ILE A 3 100.610 11.636 9.280 1.00 0.00 H new ATOM 0 HA ILE A 3 100.070 9.331 11.072 1.00 0.00 H new ATOM 0 HB ILE A 3 99.046 8.239 9.091 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.064 10.993 7.785 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.281 9.784 7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 3 96.931 9.551 9.162 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.644 9.401 10.786 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.809 10.923 9.879 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.418 9.664 5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.497 8.170 6.754 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.262 9.398 7.118 1.00 0.00 H new ATOM 56 N PHE A 4 101.756 7.871 9.733 1.00 0.00 N ATOM 57 CA PHE A 4 102.971 7.212 9.268 1.00 0.00 C ATOM 58 C PHE A 4 102.611 6.141 8.251 1.00 0.00 C ATOM 59 O PHE A 4 101.595 5.458 8.397 1.00 0.00 O ATOM 60 CB PHE A 4 103.707 6.559 10.444 1.00 0.00 C ATOM 61 CG PHE A 4 104.101 7.613 11.458 1.00 0.00 C ATOM 62 CD1 PHE A 4 103.376 7.746 12.651 1.00 0.00 C ATOM 63 CD2 PHE A 4 105.190 8.456 11.205 1.00 0.00 C ATOM 64 CE1 PHE A 4 103.739 8.721 13.586 1.00 0.00 C ATOM 65 CE2 PHE A 4 105.552 9.431 12.142 1.00 0.00 C ATOM 66 CZ PHE A 4 104.829 9.563 13.333 1.00 0.00 C ATOM 0 H PHE A 4 101.095 7.256 10.208 1.00 0.00 H new ATOM 0 HA PHE A 4 103.620 7.958 8.810 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.068 5.812 10.914 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.595 6.039 10.084 1.00 0.00 H new ATOM 0 HD1 PHE A 4 102.537 7.095 12.848 1.00 0.00 H new ATOM 0 HD2 PHE A 4 105.750 8.354 10.287 1.00 0.00 H new ATOM 0 HE1 PHE A 4 103.178 8.824 14.503 1.00 0.00 H new ATOM 0 HE2 PHE A 4 106.391 10.082 11.945 1.00 0.00 H new ATOM 0 HZ PHE A 4 105.111 10.314 14.056 1.00 0.00 H new ATOM 76 N VAL A 5 103.453 5.994 7.233 1.00 0.00 N ATOM 77 CA VAL A 5 103.233 4.987 6.200 1.00 0.00 C ATOM 78 C VAL A 5 104.461 4.081 6.151 1.00 0.00 C ATOM 79 O VAL A 5 105.598 4.560 6.185 1.00 0.00 O ATOM 80 CB VAL A 5 102.968 5.652 4.833 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.722 4.583 3.760 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.731 6.552 4.930 1.00 0.00 C ATOM 0 H VAL A 5 104.293 6.558 7.101 1.00 0.00 H new ATOM 0 HA VAL A 5 102.351 4.393 6.437 1.00 0.00 H new ATOM 0 HB VAL A 5 103.841 6.245 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.536 5.066 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.599 3.940 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.856 3.982 4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.545 7.021 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.866 5.952 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 5 101.900 7.324 5.681 1.00 0.00 H new ATOM 92 N LYS A 6 104.217 2.773 6.087 1.00 0.00 N ATOM 93 CA LYS A 6 105.295 1.794 6.049 1.00 0.00 C ATOM 94 C LYS A 6 105.112 0.844 4.876 1.00 0.00 C ATOM 95 O LYS A 6 104.116 0.122 4.795 1.00 0.00 O ATOM 96 CB LYS A 6 105.314 0.998 7.355 1.00 0.00 C ATOM 97 CG LYS A 6 106.583 0.146 7.417 1.00 0.00 C ATOM 98 CD LYS A 6 106.627 -0.608 8.744 1.00 0.00 C ATOM 99 CE LYS A 6 107.901 -1.448 8.801 1.00 0.00 C ATOM 100 NZ LYS A 6 107.977 -2.147 10.114 1.00 0.00 N ATOM 0 H LYS A 6 103.281 2.369 6.060 1.00 0.00 H new ATOM 0 HA LYS A 6 106.241 2.322 5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.277 1.677 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.432 0.360 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.601 -0.559 6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.464 0.780 7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.603 0.095 9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.750 -1.248 8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 6 107.906 -2.175 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 6 108.775 -0.812 8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 108.845 -2.719 10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 107.991 -1.445 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 107.149 -2.766 10.226 1.00 0.00 H new ATOM 114 N THR A 7 106.083 0.866 3.969 1.00 0.00 N ATOM 115 CA THR A 7 106.041 0.017 2.783 1.00 0.00 C ATOM 116 C THR A 7 106.520 -1.388 3.135 1.00 0.00 C ATOM 117 O THR A 7 107.114 -1.605 4.194 1.00 0.00 O ATOM 118 CB THR A 7 106.936 0.601 1.679 1.00 0.00 C ATOM 119 OG1 THR A 7 108.286 0.605 2.124 1.00 0.00 O ATOM 120 CG2 THR A 7 106.507 2.037 1.346 1.00 0.00 C ATOM 0 H THR A 7 106.908 1.462 4.032 1.00 0.00 H new ATOM 0 HA THR A 7 105.014 -0.028 2.422 1.00 0.00 H new ATOM 0 HB THR A 7 106.839 -0.013 0.783 1.00 0.00 H new ATOM 0 HG1 THR A 7 108.799 -0.060 1.619 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.151 2.437 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 7 105.473 2.037 1.001 1.00 0.00 H new ATOM 0 HG23 THR A 7 106.592 2.658 2.238 1.00 0.00 H new ATOM 128 N LEU A 8 106.244 -2.334 2.241 1.00 0.00 N ATOM 129 CA LEU A 8 106.632 -3.730 2.444 1.00 0.00 C ATOM 130 C LEU A 8 108.152 -3.878 2.529 1.00 0.00 C ATOM 131 O LEU A 8 108.653 -4.823 3.140 1.00 0.00 O ATOM 132 CB LEU A 8 106.107 -4.582 1.287 1.00 0.00 C ATOM 133 CG LEU A 8 104.571 -4.570 1.273 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.069 -5.169 -0.045 1.00 0.00 C ATOM 135 CD2 LEU A 8 104.032 -5.394 2.451 1.00 0.00 C ATOM 0 H LEU A 8 105.751 -2.160 1.365 1.00 0.00 H new ATOM 0 HA LEU A 8 106.200 -4.067 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.489 -4.199 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.469 -5.605 1.386 1.00 0.00 H new ATOM 0 HG LEU A 8 104.218 -3.543 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 8 102.979 -5.161 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.445 -4.578 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.425 -6.195 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 8 102.942 -5.381 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.384 -6.422 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.386 -4.964 3.388 1.00 0.00 H new ATOM 147 N THR A 9 108.870 -2.934 1.920 1.00 0.00 N ATOM 148 CA THR A 9 110.333 -2.951 1.934 1.00 0.00 C ATOM 149 C THR A 9 110.890 -2.496 3.293 1.00 0.00 C ATOM 150 O THR A 9 112.068 -2.713 3.583 1.00 0.00 O ATOM 151 CB THR A 9 110.859 -2.047 0.816 1.00 0.00 C ATOM 152 OG1 THR A 9 110.286 -0.754 0.948 1.00 0.00 O ATOM 153 CG2 THR A 9 110.482 -2.643 -0.544 1.00 0.00 C ATOM 0 H THR A 9 108.463 -2.149 1.412 1.00 0.00 H new ATOM 0 HA THR A 9 110.668 -3.975 1.770 1.00 0.00 H new ATOM 0 HB THR A 9 111.944 -1.971 0.887 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.622 -0.173 0.234 1.00 0.00 H new ATOM 0 HG21 THR A 9 110.857 -1.999 -1.340 1.00 0.00 H new ATOM 0 HG22 THR A 9 110.923 -3.635 -0.642 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.397 -2.720 -0.620 1.00 0.00 H new ATOM 161 N GLY A 10 110.036 -1.874 4.117 1.00 0.00 N ATOM 162 CA GLY A 10 110.452 -1.401 5.440 1.00 0.00 C ATOM 163 C GLY A 10 110.625 0.122 5.489 1.00 0.00 C ATOM 164 O GLY A 10 110.830 0.683 6.569 1.00 0.00 O ATOM 0 H GLY A 10 109.059 -1.688 3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.712 -1.704 6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.392 -1.880 5.715 1.00 0.00 H new ATOM 168 N LYS A 11 110.540 0.785 4.329 1.00 0.00 N ATOM 169 CA LYS A 11 110.689 2.235 4.275 1.00 0.00 C ATOM 170 C LYS A 11 109.593 2.902 5.101 1.00 0.00 C ATOM 171 O LYS A 11 108.416 2.553 4.981 1.00 0.00 O ATOM 172 CB LYS A 11 110.616 2.725 2.820 1.00 0.00 C ATOM 173 CG LYS A 11 110.938 4.226 2.754 1.00 0.00 C ATOM 174 CD LYS A 11 112.444 4.444 2.929 1.00 0.00 C ATOM 175 CE LYS A 11 112.760 5.931 2.809 1.00 0.00 C ATOM 176 NZ LYS A 11 114.218 6.140 3.030 1.00 0.00 N ATOM 0 H LYS A 11 110.370 0.341 3.426 1.00 0.00 H new ATOM 0 HA LYS A 11 111.662 2.502 4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.320 2.166 2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 11 109.621 2.540 2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.611 4.635 1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 11 110.392 4.759 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.766 4.070 3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 11 112.994 3.882 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 11 112.473 6.298 1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.184 6.498 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 114.440 7.153 2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 114.477 5.803 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 114.757 5.610 2.316 1.00 0.00 H new ATOM 190 N THR A 12 109.995 3.864 5.938 1.00 0.00 N ATOM 191 CA THR A 12 109.047 4.584 6.784 1.00 0.00 C ATOM 192 C THR A 12 109.027 6.066 6.423 1.00 0.00 C ATOM 193 O THR A 12 110.061 6.738 6.437 1.00 0.00 O ATOM 194 CB THR A 12 109.428 4.417 8.258 1.00 0.00 C ATOM 195 OG1 THR A 12 109.655 3.042 8.533 1.00 0.00 O ATOM 196 CG2 THR A 12 108.286 4.928 9.141 1.00 0.00 C ATOM 0 H THR A 12 110.966 4.158 6.045 1.00 0.00 H new ATOM 0 HA THR A 12 108.053 4.169 6.619 1.00 0.00 H new ATOM 0 HB THR A 12 110.334 4.987 8.466 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.901 2.933 9.475 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.556 4.809 10.190 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.106 5.982 8.929 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.381 4.357 8.933 1.00 0.00 H new ATOM 204 N ILE A 13 107.835 6.552 6.105 1.00 0.00 N ATOM 205 CA ILE A 13 107.630 7.950 5.736 1.00 0.00 C ATOM 206 C ILE A 13 106.475 8.534 6.548 1.00 0.00 C ATOM 207 O ILE A 13 105.425 7.905 6.680 1.00 0.00 O ATOM 208 CB ILE A 13 107.329 8.065 4.216 1.00 0.00 C ATOM 209 CG1 ILE A 13 107.039 9.542 3.831 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.121 7.179 3.846 1.00 0.00 C ATOM 211 CD1 ILE A 13 106.873 9.682 2.313 1.00 0.00 C ATOM 0 H ILE A 13 106.983 5.991 6.095 1.00 0.00 H new ATOM 0 HA ILE A 13 108.538 8.512 5.954 1.00 0.00 H new ATOM 0 HB ILE A 13 108.204 7.724 3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.134 9.884 4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.854 10.179 4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 13 105.919 7.267 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.344 6.140 4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.246 7.503 4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.671 10.724 2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.788 9.361 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 13 106.042 9.061 1.979 1.00 0.00 H new ATOM 223 N THR A 14 106.674 9.749 7.055 1.00 0.00 N ATOM 224 CA THR A 14 105.631 10.426 7.818 1.00 0.00 C ATOM 225 C THR A 14 104.884 11.361 6.883 1.00 0.00 C ATOM 226 O THR A 14 105.494 12.182 6.191 1.00 0.00 O ATOM 227 CB THR A 14 106.221 11.221 8.979 1.00 0.00 C ATOM 228 OG1 THR A 14 107.111 10.395 9.717 1.00 0.00 O ATOM 229 CG2 THR A 14 105.092 11.700 9.894 1.00 0.00 C ATOM 0 H THR A 14 107.539 10.279 6.952 1.00 0.00 H new ATOM 0 HA THR A 14 104.955 9.680 8.237 1.00 0.00 H new ATOM 0 HB THR A 14 106.764 12.082 8.590 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.597 9.813 10.315 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.512 12.268 10.724 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.410 12.335 9.328 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.548 10.839 10.282 1.00 0.00 H new ATOM 237 N LEU A 15 103.572 11.192 6.832 1.00 0.00 N ATOM 238 CA LEU A 15 102.733 11.979 5.942 1.00 0.00 C ATOM 239 C LEU A 15 101.638 12.700 6.713 1.00 0.00 C ATOM 240 O LEU A 15 101.041 12.144 7.633 1.00 0.00 O ATOM 241 CB LEU A 15 102.115 11.035 4.905 1.00 0.00 C ATOM 242 CG LEU A 15 101.346 11.819 3.836 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.318 12.597 2.941 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.549 10.830 2.992 1.00 0.00 C ATOM 0 H LEU A 15 103.063 10.514 7.399 1.00 0.00 H new ATOM 0 HA LEU A 15 103.341 12.739 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.900 10.444 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.443 10.335 5.401 1.00 0.00 H new ATOM 0 HG LEU A 15 100.676 12.532 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.756 13.148 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 15 102.892 13.296 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 15 102.997 11.900 2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 15 99.994 11.370 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.231 10.124 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.851 10.287 3.630 1.00 0.00 H new ATOM 256 N GLU A 16 101.376 13.939 6.306 1.00 0.00 N ATOM 257 CA GLU A 16 100.343 14.754 6.936 1.00 0.00 C ATOM 258 C GLU A 16 99.116 14.830 6.042 1.00 0.00 C ATOM 259 O GLU A 16 99.175 15.375 4.936 1.00 0.00 O ATOM 260 CB GLU A 16 100.871 16.164 7.194 1.00 0.00 C ATOM 261 CG GLU A 16 101.936 16.137 8.306 1.00 0.00 C ATOM 262 CD GLU A 16 103.334 15.821 7.748 1.00 0.00 C ATOM 263 OE1 GLU A 16 103.453 15.541 6.563 1.00 0.00 O ATOM 264 OE2 GLU A 16 104.272 15.866 8.526 1.00 0.00 O ATOM 0 H GLU A 16 101.867 14.401 5.540 1.00 0.00 H new ATOM 0 HA GLU A 16 100.068 14.292 7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 16 101.300 16.573 6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 16 100.050 16.821 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 16 101.956 17.101 8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 16 101.664 15.390 9.052 1.00 0.00 H new ATOM 271 N VAL A 17 98.009 14.276 6.528 1.00 0.00 N ATOM 272 CA VAL A 17 96.757 14.275 5.772 1.00 0.00 C ATOM 273 C VAL A 17 95.586 14.566 6.695 1.00 0.00 C ATOM 274 O VAL A 17 95.658 14.288 7.894 1.00 0.00 O ATOM 275 CB VAL A 17 96.551 12.920 5.071 1.00 0.00 C ATOM 276 CG1 VAL A 17 97.675 12.699 4.058 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.565 11.775 6.098 1.00 0.00 C ATOM 0 H VAL A 17 97.952 13.822 7.440 1.00 0.00 H new ATOM 0 HA VAL A 17 96.812 15.055 5.013 1.00 0.00 H new ATOM 0 HB VAL A 17 95.586 12.930 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.532 11.740 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 17 97.660 13.499 3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 17 98.635 12.700 4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.418 10.824 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.524 11.763 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 17 95.763 11.925 6.821 1.00 0.00 H new ATOM 287 N GLU A 18 94.510 15.116 6.133 1.00 0.00 N ATOM 288 CA GLU A 18 93.329 15.435 6.925 1.00 0.00 C ATOM 289 C GLU A 18 92.261 14.337 6.773 1.00 0.00 C ATOM 290 O GLU A 18 92.123 13.774 5.684 1.00 0.00 O ATOM 291 CB GLU A 18 92.739 16.784 6.496 1.00 0.00 C ATOM 292 CG GLU A 18 93.588 17.928 7.060 1.00 0.00 C ATOM 293 CD GLU A 18 93.277 18.118 8.542 1.00 0.00 C ATOM 294 OE1 GLU A 18 94.208 18.106 9.329 1.00 0.00 O ATOM 295 OE2 GLU A 18 92.111 18.273 8.867 1.00 0.00 O ATOM 0 H GLU A 18 94.434 15.347 5.142 1.00 0.00 H new ATOM 0 HA GLU A 18 93.633 15.495 7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.705 16.847 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 18 91.713 16.872 6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 18 94.647 17.708 6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 18 93.383 18.849 6.515 1.00 0.00 H new ATOM 302 N PRO A 19 91.500 14.017 7.823 1.00 0.00 N ATOM 303 CA PRO A 19 90.432 12.965 7.745 1.00 0.00 C ATOM 304 C PRO A 19 89.451 13.235 6.600 1.00 0.00 C ATOM 305 O PRO A 19 88.959 12.304 5.955 1.00 0.00 O ATOM 306 CB PRO A 19 89.726 13.060 9.101 1.00 0.00 C ATOM 307 CG PRO A 19 90.740 13.634 10.028 1.00 0.00 C ATOM 308 CD PRO A 19 91.568 14.593 9.191 1.00 0.00 C ATOM 0 HA PRO A 19 90.843 11.975 7.545 1.00 0.00 H new ATOM 0 HB2 PRO A 19 88.842 13.695 9.041 1.00 0.00 H new ATOM 0 HB3 PRO A 19 89.392 12.080 9.441 1.00 0.00 H new ATOM 0 HG2 PRO A 19 90.261 14.153 10.859 1.00 0.00 H new ATOM 0 HG3 PRO A 19 91.364 12.851 10.458 1.00 0.00 H new ATOM 0 HD2 PRO A 19 91.161 15.604 9.220 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.596 14.653 9.550 1.00 0.00 H new ATOM 316 N SER A 20 89.189 14.517 6.365 1.00 0.00 N ATOM 317 CA SER A 20 88.277 14.940 5.294 1.00 0.00 C ATOM 318 C SER A 20 88.886 14.700 3.904 1.00 0.00 C ATOM 319 O SER A 20 88.163 14.678 2.905 1.00 0.00 O ATOM 320 CB SER A 20 87.940 16.423 5.443 1.00 0.00 C ATOM 321 OG SER A 20 89.139 17.182 5.388 1.00 0.00 O ATOM 0 H SER A 20 89.593 15.286 6.900 1.00 0.00 H new ATOM 0 HA SER A 20 87.371 14.341 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 20 87.261 16.735 4.650 1.00 0.00 H new ATOM 0 HB3 SER A 20 87.427 16.599 6.389 1.00 0.00 H new ATOM 0 HG SER A 20 88.928 18.134 5.481 1.00 0.00 H new ATOM 327 N ASP A 21 90.214 14.528 3.849 1.00 0.00 N ATOM 328 CA ASP A 21 90.907 14.296 2.587 1.00 0.00 C ATOM 329 C ASP A 21 90.648 12.884 2.087 1.00 0.00 C ATOM 330 O ASP A 21 90.583 11.938 2.879 1.00 0.00 O ATOM 331 CB ASP A 21 92.414 14.508 2.769 1.00 0.00 C ATOM 332 CG ASP A 21 93.098 14.689 1.413 1.00 0.00 C ATOM 333 OD1 ASP A 21 92.493 15.286 0.532 1.00 0.00 O ATOM 334 OD2 ASP A 21 94.219 14.233 1.275 1.00 0.00 O ATOM 0 H ASP A 21 90.824 14.546 4.666 1.00 0.00 H new ATOM 0 HA ASP A 21 90.528 15.005 1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 21 92.591 15.385 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 21 92.847 13.654 3.290 1.00 0.00 H new ATOM 339 N THR A 22 90.503 12.750 0.769 1.00 0.00 N ATOM 340 CA THR A 22 90.256 11.450 0.161 1.00 0.00 C ATOM 341 C THR A 22 91.568 10.708 -0.043 1.00 0.00 C ATOM 342 O THR A 22 92.635 11.323 -0.085 1.00 0.00 O ATOM 343 CB THR A 22 89.551 11.637 -1.184 1.00 0.00 C ATOM 344 OG1 THR A 22 90.195 12.674 -1.912 1.00 0.00 O ATOM 345 CG2 THR A 22 88.086 12.010 -0.950 1.00 0.00 C ATOM 0 H THR A 22 90.553 13.524 0.107 1.00 0.00 H new ATOM 0 HA THR A 22 89.620 10.863 0.824 1.00 0.00 H new ATOM 0 HB THR A 22 89.599 10.708 -1.752 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.747 12.795 -2.775 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.587 12.143 -1.910 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.593 11.215 -0.391 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.033 12.939 -0.382 1.00 0.00 H new ATOM 353 N ILE A 23 91.477 9.383 -0.151 1.00 0.00 N ATOM 354 CA ILE A 23 92.660 8.542 -0.326 1.00 0.00 C ATOM 355 C ILE A 23 93.382 8.927 -1.614 1.00 0.00 C ATOM 356 O ILE A 23 94.613 9.028 -1.629 1.00 0.00 O ATOM 357 CB ILE A 23 92.254 7.050 -0.351 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.428 6.681 0.919 1.00 0.00 C ATOM 359 CG2 ILE A 23 93.507 6.160 -0.450 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.240 6.867 2.220 1.00 0.00 C ATOM 0 H ILE A 23 90.596 8.869 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 23 93.338 8.697 0.513 1.00 0.00 H new ATOM 0 HB ILE A 23 91.629 6.878 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.533 7.301 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 23 91.096 5.646 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 23 93.208 5.112 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 23 94.050 6.397 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 23 94.150 6.340 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 23 91.622 6.597 3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 23 93.122 6.227 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 23 92.550 7.908 2.310 1.00 0.00 H new ATOM 372 N GLU A 24 92.618 9.151 -2.683 1.00 0.00 N ATOM 373 CA GLU A 24 93.203 9.543 -3.967 1.00 0.00 C ATOM 374 C GLU A 24 94.060 10.807 -3.800 1.00 0.00 C ATOM 375 O GLU A 24 95.096 10.956 -4.454 1.00 0.00 O ATOM 376 CB GLU A 24 92.086 9.817 -4.980 1.00 0.00 C ATOM 377 CG GLU A 24 92.688 10.050 -6.376 1.00 0.00 C ATOM 378 CD GLU A 24 91.596 10.309 -7.425 1.00 0.00 C ATOM 379 OE1 GLU A 24 90.467 10.594 -7.049 1.00 0.00 O ATOM 380 OE2 GLU A 24 91.912 10.219 -8.600 1.00 0.00 O ATOM 0 H GLU A 24 91.601 9.069 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 24 93.835 8.731 -4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.395 8.974 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 24 91.511 10.690 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 24 93.370 10.900 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 24 93.276 9.181 -6.669 1.00 0.00 H new ATOM 387 N ASN A 25 93.629 11.693 -2.897 1.00 0.00 N ATOM 388 CA ASN A 25 94.364 12.925 -2.615 1.00 0.00 C ATOM 389 C ASN A 25 95.658 12.608 -1.863 1.00 0.00 C ATOM 390 O ASN A 25 96.700 13.218 -2.119 1.00 0.00 O ATOM 391 CB ASN A 25 93.496 13.880 -1.787 1.00 0.00 C ATOM 392 CG ASN A 25 94.209 15.220 -1.600 1.00 0.00 C ATOM 393 OD1 ASN A 25 95.417 15.259 -1.368 1.00 0.00 O ATOM 394 ND2 ASN A 25 93.526 16.328 -1.692 1.00 0.00 N ATOM 0 H ASN A 25 92.775 11.578 -2.350 1.00 0.00 H new ATOM 0 HA ASN A 25 94.615 13.406 -3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.539 14.036 -2.285 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.281 13.436 -0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 25 93.993 17.227 -1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 25 92.525 16.295 -1.884 1.00 0.00 H new ATOM 401 N VAL A 26 95.573 11.657 -0.925 1.00 0.00 N ATOM 402 CA VAL A 26 96.728 11.261 -0.116 1.00 0.00 C ATOM 403 C VAL A 26 97.842 10.712 -1.011 1.00 0.00 C ATOM 404 O VAL A 26 99.014 11.062 -0.833 1.00 0.00 O ATOM 405 CB VAL A 26 96.303 10.197 0.923 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.518 9.719 1.742 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.262 10.800 1.876 1.00 0.00 C ATOM 0 H VAL A 26 94.716 11.148 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 26 97.107 12.138 0.409 1.00 0.00 H new ATOM 0 HB VAL A 26 95.878 9.345 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.197 8.971 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.258 9.281 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 26 97.959 10.566 2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 26 94.962 10.051 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.694 11.658 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.390 11.120 1.306 1.00 0.00 H new ATOM 417 N LYS A 27 97.476 9.832 -1.946 1.00 0.00 N ATOM 418 CA LYS A 27 98.468 9.221 -2.833 1.00 0.00 C ATOM 419 C LYS A 27 99.273 10.301 -3.544 1.00 0.00 C ATOM 420 O LYS A 27 100.501 10.223 -3.603 1.00 0.00 O ATOM 421 CB LYS A 27 97.789 8.312 -3.856 1.00 0.00 C ATOM 422 CG LYS A 27 97.197 7.096 -3.140 1.00 0.00 C ATOM 423 CD LYS A 27 96.540 6.169 -4.162 1.00 0.00 C ATOM 424 CE LYS A 27 95.903 4.982 -3.438 1.00 0.00 C ATOM 425 NZ LYS A 27 96.971 4.150 -2.818 1.00 0.00 N ATOM 0 H LYS A 27 96.515 9.530 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 27 99.144 8.616 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 27 97.004 8.858 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.509 7.990 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.979 6.563 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.463 7.418 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.783 6.712 -4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 27 97.282 5.816 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 27 95.213 5.337 -2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 27 95.322 4.384 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 96.561 3.259 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 97.704 3.942 -3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 97.395 4.667 -2.022 1.00 0.00 H new ATOM 439 N ALA A 28 98.576 11.307 -4.081 1.00 0.00 N ATOM 440 CA ALA A 28 99.242 12.404 -4.788 1.00 0.00 C ATOM 441 C ALA A 28 100.340 13.020 -3.918 1.00 0.00 C ATOM 442 O ALA A 28 101.423 13.336 -4.416 1.00 0.00 O ATOM 443 CB ALA A 28 98.221 13.480 -5.163 1.00 0.00 C ATOM 0 H ALA A 28 97.560 11.384 -4.040 1.00 0.00 H new ATOM 0 HA ALA A 28 99.696 12.003 -5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.724 14.292 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.458 13.048 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.753 13.868 -4.259 1.00 0.00 H new ATOM 449 N LYS A 29 100.059 13.168 -2.618 1.00 0.00 N ATOM 450 CA LYS A 29 101.042 13.728 -1.687 1.00 0.00 C ATOM 451 C LYS A 29 102.257 12.805 -1.593 1.00 0.00 C ATOM 452 O LYS A 29 103.403 13.265 -1.589 1.00 0.00 O ATOM 453 CB LYS A 29 100.429 13.893 -0.295 1.00 0.00 C ATOM 454 CG LYS A 29 99.343 14.970 -0.330 1.00 0.00 C ATOM 455 CD LYS A 29 98.743 15.130 1.068 1.00 0.00 C ATOM 456 CE LYS A 29 97.654 16.203 1.039 1.00 0.00 C ATOM 457 NZ LYS A 29 97.057 16.342 2.398 1.00 0.00 N ATOM 0 H LYS A 29 99.169 12.911 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 29 101.350 14.705 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 29 100.004 12.947 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.202 14.167 0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.765 15.917 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.565 14.695 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.325 14.182 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.521 15.406 1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 29 98.075 17.155 0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 29 96.883 15.934 0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.316 17.072 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.641 15.434 2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 97.796 16.617 3.076 1.00 0.00 H new ATOM 471 N ILE A 30 101.987 11.498 -1.522 1.00 0.00 N ATOM 472 CA ILE A 30 103.046 10.498 -1.430 1.00 0.00 C ATOM 473 C ILE A 30 103.910 10.552 -2.691 1.00 0.00 C ATOM 474 O ILE A 30 105.133 10.471 -2.609 1.00 0.00 O ATOM 475 CB ILE A 30 102.432 9.091 -1.253 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.716 9.027 0.105 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.539 8.015 -1.288 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.829 7.775 0.174 1.00 0.00 C ATOM 0 H ILE A 30 101.043 11.111 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 30 103.672 10.711 -0.563 1.00 0.00 H new ATOM 0 HB ILE A 30 101.728 8.904 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.449 9.008 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 30 101.109 9.921 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 30 103.092 7.029 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 30 104.058 8.058 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.249 8.197 -0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.326 7.738 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 30 100.085 7.812 -0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.446 6.885 0.052 1.00 0.00 H new ATOM 490 N GLN A 31 103.261 10.680 -3.853 1.00 0.00 N ATOM 491 CA GLN A 31 103.975 10.731 -5.129 1.00 0.00 C ATOM 492 C GLN A 31 105.086 11.782 -5.079 1.00 0.00 C ATOM 493 O GLN A 31 106.172 11.564 -5.611 1.00 0.00 O ATOM 494 CB GLN A 31 102.988 11.066 -6.259 1.00 0.00 C ATOM 495 CG GLN A 31 103.706 11.036 -7.618 1.00 0.00 C ATOM 496 CD GLN A 31 102.762 11.483 -8.731 1.00 0.00 C ATOM 497 OE1 GLN A 31 101.904 12.342 -8.517 1.00 0.00 O ATOM 498 NE2 GLN A 31 102.877 10.951 -9.918 1.00 0.00 N ATOM 0 H GLN A 31 102.247 10.750 -3.934 1.00 0.00 H new ATOM 0 HA GLN A 31 104.427 9.758 -5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 31 102.166 10.350 -6.258 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.553 12.051 -6.091 1.00 0.00 H new ATOM 0 HG2 GLN A 31 104.579 11.688 -7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 31 104.068 10.028 -7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 31 103.588 10.241 -10.092 1.00 0.00 H new ATOM 0 HE22 GLN A 31 102.256 11.246 -10.671 1.00 0.00 H new ATOM 507 N ASP A 32 104.791 12.921 -4.466 1.00 0.00 N ATOM 508 CA ASP A 32 105.764 14.008 -4.364 1.00 0.00 C ATOM 509 C ASP A 32 106.966 13.637 -3.483 1.00 0.00 C ATOM 510 O ASP A 32 108.089 14.069 -3.751 1.00 0.00 O ATOM 511 CB ASP A 32 105.084 15.260 -3.808 1.00 0.00 C ATOM 512 CG ASP A 32 104.413 16.037 -4.939 1.00 0.00 C ATOM 513 OD1 ASP A 32 105.046 16.220 -5.966 1.00 0.00 O ATOM 514 OD2 ASP A 32 103.272 16.435 -4.762 1.00 0.00 O ATOM 0 H ASP A 32 103.889 13.119 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 32 106.143 14.200 -5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 32 104.343 14.979 -3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 32 105.819 15.891 -3.308 1.00 0.00 H new ATOM 519 N LYS A 33 106.715 12.868 -2.417 1.00 0.00 N ATOM 520 CA LYS A 33 107.784 12.476 -1.481 1.00 0.00 C ATOM 521 C LYS A 33 108.587 11.259 -1.936 1.00 0.00 C ATOM 522 O LYS A 33 109.812 11.237 -1.787 1.00 0.00 O ATOM 523 CB LYS A 33 107.198 12.189 -0.100 1.00 0.00 C ATOM 524 CG LYS A 33 106.736 13.493 0.546 1.00 0.00 C ATOM 525 CD LYS A 33 106.121 13.202 1.912 1.00 0.00 C ATOM 526 CE LYS A 33 105.610 14.506 2.526 1.00 0.00 C ATOM 527 NZ LYS A 33 104.996 14.224 3.854 1.00 0.00 N ATOM 0 H LYS A 33 105.792 12.506 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 33 108.470 13.322 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.359 11.498 -0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 33 107.945 11.705 0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.579 14.175 0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 33 106.006 13.988 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.302 12.489 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 33 106.862 12.744 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 33 106.431 15.214 2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 33 104.877 14.968 1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 104.102 14.748 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 104.810 13.204 3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 105.647 14.522 4.608 1.00 0.00 H new ATOM 541 N GLU A 34 107.902 10.241 -2.457 1.00 0.00 N ATOM 542 CA GLU A 34 108.572 9.015 -2.896 1.00 0.00 C ATOM 543 C GLU A 34 108.790 8.975 -4.414 1.00 0.00 C ATOM 544 O GLU A 34 109.506 8.100 -4.909 1.00 0.00 O ATOM 545 CB GLU A 34 107.730 7.806 -2.492 1.00 0.00 C ATOM 546 CG GLU A 34 107.719 7.663 -0.964 1.00 0.00 C ATOM 547 CD GLU A 34 106.817 6.500 -0.512 1.00 0.00 C ATOM 548 OE1 GLU A 34 106.748 6.277 0.683 1.00 0.00 O ATOM 549 OE2 GLU A 34 106.209 5.850 -1.356 1.00 0.00 O ATOM 0 H GLU A 34 106.890 10.239 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 34 109.550 8.993 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.711 7.921 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 34 108.134 6.902 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 34 108.735 7.497 -0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 34 107.370 8.592 -0.513 1.00 0.00 H new ATOM 556 N GLY A 35 108.187 9.918 -5.143 1.00 0.00 N ATOM 557 CA GLY A 35 108.337 9.973 -6.596 1.00 0.00 C ATOM 558 C GLY A 35 107.723 8.748 -7.274 1.00 0.00 C ATOM 559 O GLY A 35 108.118 8.404 -8.391 1.00 0.00 O ATOM 0 H GLY A 35 107.594 10.649 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 35 107.861 10.877 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.395 10.038 -6.851 1.00 0.00 H new ATOM 563 N ILE A 36 106.773 8.081 -6.598 1.00 0.00 N ATOM 564 CA ILE A 36 106.143 6.883 -7.166 1.00 0.00 C ATOM 565 C ILE A 36 104.731 7.204 -7.704 1.00 0.00 C ATOM 566 O ILE A 36 103.958 7.878 -7.018 1.00 0.00 O ATOM 567 CB ILE A 36 106.062 5.750 -6.122 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.472 5.439 -5.590 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.483 4.484 -6.779 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.377 4.597 -4.316 1.00 0.00 C ATOM 0 H ILE A 36 106.431 8.346 -5.674 1.00 0.00 H new ATOM 0 HA ILE A 36 106.766 6.547 -7.995 1.00 0.00 H new ATOM 0 HB ILE A 36 105.419 6.065 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 36 108.045 4.904 -6.347 1.00 0.00 H new ATOM 0 HG13 ILE A 36 108.005 6.367 -5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.426 3.684 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 36 104.485 4.697 -7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 36 106.128 4.173 -7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.380 4.382 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 36 106.821 5.147 -3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.863 3.661 -4.536 1.00 0.00 H new ATOM 582 N PRO A 37 104.373 6.737 -8.907 1.00 0.00 N ATOM 583 CA PRO A 37 103.023 6.999 -9.496 1.00 0.00 C ATOM 584 C PRO A 37 101.875 6.519 -8.576 1.00 0.00 C ATOM 585 O PRO A 37 101.927 5.390 -8.080 1.00 0.00 O ATOM 586 CB PRO A 37 103.022 6.220 -10.820 1.00 0.00 C ATOM 587 CG PRO A 37 104.154 5.258 -10.723 1.00 0.00 C ATOM 588 CD PRO A 37 105.189 5.925 -9.837 1.00 0.00 C ATOM 0 HA PRO A 37 102.851 8.067 -9.632 1.00 0.00 H new ATOM 0 HB2 PRO A 37 102.076 5.698 -10.966 1.00 0.00 H new ATOM 0 HB3 PRO A 37 103.150 6.891 -11.669 1.00 0.00 H new ATOM 0 HG2 PRO A 37 103.826 4.310 -10.296 1.00 0.00 H new ATOM 0 HG3 PRO A 37 104.566 5.038 -11.708 1.00 0.00 H new ATOM 0 HD2 PRO A 37 105.795 5.192 -9.305 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.874 6.544 -10.416 1.00 0.00 H new ATOM 596 N PRO A 38 100.843 7.336 -8.335 1.00 0.00 N ATOM 597 CA PRO A 38 99.693 6.941 -7.458 1.00 0.00 C ATOM 598 C PRO A 38 99.034 5.642 -7.911 1.00 0.00 C ATOM 599 O PRO A 38 98.595 4.838 -7.084 1.00 0.00 O ATOM 600 CB PRO A 38 98.707 8.109 -7.577 1.00 0.00 C ATOM 601 CG PRO A 38 99.521 9.274 -8.019 1.00 0.00 C ATOM 602 CD PRO A 38 100.654 8.709 -8.856 1.00 0.00 C ATOM 0 HA PRO A 38 100.021 6.756 -6.435 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.919 7.885 -8.296 1.00 0.00 H new ATOM 0 HB3 PRO A 38 98.220 8.310 -6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 38 98.918 9.971 -8.601 1.00 0.00 H new ATOM 0 HG3 PRO A 38 99.908 9.825 -7.162 1.00 0.00 H new ATOM 0 HD2 PRO A 38 100.400 8.701 -9.916 1.00 0.00 H new ATOM 0 HD3 PRO A 38 101.562 9.303 -8.750 1.00 0.00 H new ATOM 610 N ASP A 39 98.956 5.449 -9.232 1.00 0.00 N ATOM 611 CA ASP A 39 98.335 4.249 -9.798 1.00 0.00 C ATOM 612 C ASP A 39 99.114 2.981 -9.443 1.00 0.00 C ATOM 613 O ASP A 39 98.556 1.887 -9.492 1.00 0.00 O ATOM 614 CB ASP A 39 98.265 4.373 -11.321 1.00 0.00 C ATOM 615 CG ASP A 39 97.279 5.467 -11.722 1.00 0.00 C ATOM 616 OD1 ASP A 39 96.210 5.524 -11.133 1.00 0.00 O ATOM 617 OD2 ASP A 39 97.607 6.235 -12.611 1.00 0.00 O ATOM 0 H ASP A 39 99.314 6.106 -9.926 1.00 0.00 H new ATOM 0 HA ASP A 39 97.335 4.168 -9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 39 99.253 4.602 -11.719 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.959 3.422 -11.756 1.00 0.00 H new ATOM 622 N GLN A 40 100.396 3.133 -9.096 1.00 0.00 N ATOM 623 CA GLN A 40 101.236 1.985 -8.741 1.00 0.00 C ATOM 624 C GLN A 40 101.324 1.794 -7.214 1.00 0.00 C ATOM 625 O GLN A 40 102.043 0.910 -6.742 1.00 0.00 O ATOM 626 CB GLN A 40 102.640 2.187 -9.313 1.00 0.00 C ATOM 627 CG GLN A 40 103.390 0.849 -9.338 1.00 0.00 C ATOM 628 CD GLN A 40 104.701 0.970 -10.112 1.00 0.00 C ATOM 629 OE1 GLN A 40 104.857 1.847 -10.967 1.00 0.00 O ATOM 630 NE2 GLN A 40 105.665 0.137 -9.853 1.00 0.00 N ATOM 0 H GLN A 40 100.872 4.034 -9.053 1.00 0.00 H new ATOM 0 HA GLN A 40 100.781 1.090 -9.165 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.576 2.597 -10.321 1.00 0.00 H new ATOM 0 HB3 GLN A 40 103.188 2.910 -8.709 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.595 0.524 -8.318 1.00 0.00 H new ATOM 0 HG3 GLN A 40 102.762 0.085 -9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 40 105.537 -0.588 -9.147 1.00 0.00 H new ATOM 0 HE22 GLN A 40 106.549 0.208 -10.356 1.00 0.00 H new ATOM 639 N GLN A 41 100.595 2.618 -6.447 1.00 0.00 N ATOM 640 CA GLN A 41 100.617 2.517 -4.988 1.00 0.00 C ATOM 641 C GLN A 41 99.237 2.193 -4.436 1.00 0.00 C ATOM 642 O GLN A 41 98.249 2.854 -4.766 1.00 0.00 O ATOM 643 CB GLN A 41 101.108 3.830 -4.383 1.00 0.00 C ATOM 644 CG GLN A 41 102.584 4.025 -4.726 1.00 0.00 C ATOM 645 CD GLN A 41 103.064 5.370 -4.198 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.552 6.414 -4.601 1.00 0.00 O ATOM 647 NE2 GLN A 41 104.023 5.407 -3.314 1.00 0.00 N ATOM 0 H GLN A 41 99.990 3.353 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 41 101.296 1.708 -4.719 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.520 4.663 -4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 41 100.973 3.818 -3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 41 103.177 3.221 -4.291 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.725 3.977 -5.806 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.445 4.539 -2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.351 6.303 -2.954 1.00 0.00 H new ATOM 656 N ARG A 42 99.193 1.176 -3.579 1.00 0.00 N ATOM 657 CA ARG A 42 97.952 0.751 -2.943 1.00 0.00 C ATOM 658 C ARG A 42 98.108 0.801 -1.431 1.00 0.00 C ATOM 659 O ARG A 42 99.004 0.156 -0.878 1.00 0.00 O ATOM 660 CB ARG A 42 97.605 -0.673 -3.363 1.00 0.00 C ATOM 661 CG ARG A 42 97.113 -0.681 -4.810 1.00 0.00 C ATOM 662 CD ARG A 42 96.851 -2.128 -5.252 1.00 0.00 C ATOM 663 NE ARG A 42 95.803 -2.729 -4.418 1.00 0.00 N ATOM 664 CZ ARG A 42 95.437 -4.018 -4.520 1.00 0.00 C ATOM 665 NH1 ARG A 42 96.006 -4.828 -5.382 1.00 0.00 N ATOM 666 NH2 ARG A 42 94.497 -4.472 -3.739 1.00 0.00 N ATOM 0 H ARG A 42 100.010 0.628 -3.308 1.00 0.00 H new ATOM 0 HA ARG A 42 97.152 1.423 -3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.480 -1.315 -3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.836 -1.079 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.201 -0.091 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 42 97.856 -0.219 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 42 96.549 -2.147 -6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 42 97.768 -2.712 -5.174 1.00 0.00 H new ATOM 0 HE ARG A 42 95.331 -2.142 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 42 96.745 -4.483 -5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 42 95.709 -5.802 -5.439 1.00 0.00 H new ATOM 0 HH21 ARG A 42 94.051 -3.851 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 42 94.207 -5.448 -3.804 1.00 0.00 H new ATOM 680 N LEU A 43 97.253 1.581 -0.769 1.00 0.00 N ATOM 681 CA LEU A 43 97.319 1.728 0.677 1.00 0.00 C ATOM 682 C LEU A 43 96.293 0.838 1.362 1.00 0.00 C ATOM 683 O LEU A 43 95.124 0.810 0.975 1.00 0.00 O ATOM 684 CB LEU A 43 97.053 3.189 1.053 1.00 0.00 C ATOM 685 CG LEU A 43 98.219 4.074 0.583 1.00 0.00 C ATOM 686 CD1 LEU A 43 97.774 5.538 0.564 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.399 3.929 1.552 1.00 0.00 C ATOM 0 H LEU A 43 96.509 2.118 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 43 98.314 1.430 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 43 96.122 3.527 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 43 96.930 3.279 2.132 1.00 0.00 H new ATOM 0 HG LEU A 43 98.522 3.764 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.601 6.165 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 43 96.933 5.654 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.471 5.839 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 43 100.224 4.557 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 43 99.090 4.238 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.723 2.888 1.578 1.00 0.00 H new ATOM 699 N ILE A 44 96.745 0.132 2.396 1.00 0.00 N ATOM 700 CA ILE A 44 95.871 -0.743 3.172 1.00 0.00 C ATOM 701 C ILE A 44 95.931 -0.344 4.640 1.00 0.00 C ATOM 702 O ILE A 44 96.999 -0.055 5.180 1.00 0.00 O ATOM 703 CB ILE A 44 96.254 -2.229 2.996 1.00 0.00 C ATOM 704 CG1 ILE A 44 96.066 -2.603 1.512 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.353 -3.133 3.885 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.474 -4.059 1.265 1.00 0.00 C ATOM 0 H ILE A 44 97.713 0.149 2.716 1.00 0.00 H new ATOM 0 HA ILE A 44 94.851 -0.627 2.805 1.00 0.00 H new ATOM 0 HB ILE A 44 97.290 -2.380 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 44 95.025 -2.458 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.665 -1.941 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.637 -4.176 3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.480 -2.857 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.310 -3.000 3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.334 -4.303 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.522 -4.193 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 44 95.857 -4.718 1.875 1.00 0.00 H new ATOM 718 N PHE A 45 94.760 -0.343 5.259 1.00 0.00 N ATOM 719 CA PHE A 45 94.631 0.008 6.669 1.00 0.00 C ATOM 720 C PHE A 45 93.901 -1.110 7.421 1.00 0.00 C ATOM 721 O PHE A 45 92.841 -1.569 6.995 1.00 0.00 O ATOM 722 CB PHE A 45 93.869 1.333 6.805 1.00 0.00 C ATOM 723 CG PHE A 45 93.761 1.730 8.266 1.00 0.00 C ATOM 724 CD1 PHE A 45 94.905 2.119 8.977 1.00 0.00 C ATOM 725 CD2 PHE A 45 92.517 1.698 8.909 1.00 0.00 C ATOM 726 CE1 PHE A 45 94.802 2.475 10.325 1.00 0.00 C ATOM 727 CE2 PHE A 45 92.416 2.055 10.257 1.00 0.00 C ATOM 728 CZ PHE A 45 93.559 2.443 10.966 1.00 0.00 C ATOM 0 H PHE A 45 93.879 -0.583 4.805 1.00 0.00 H new ATOM 0 HA PHE A 45 95.623 0.128 7.103 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.382 2.115 6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 45 92.873 1.234 6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 45 95.865 2.144 8.484 1.00 0.00 H new ATOM 0 HD2 PHE A 45 91.635 1.397 8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 45 95.683 2.775 10.872 1.00 0.00 H new ATOM 0 HE2 PHE A 45 91.456 2.031 10.751 1.00 0.00 H new ATOM 0 HZ PHE A 45 93.481 2.718 12.008 1.00 0.00 H new ATOM 738 N ALA A 46 94.492 -1.528 8.535 1.00 0.00 N ATOM 739 CA ALA A 46 93.920 -2.591 9.362 1.00 0.00 C ATOM 740 C ALA A 46 93.567 -3.834 8.531 1.00 0.00 C ATOM 741 O ALA A 46 92.709 -4.631 8.930 1.00 0.00 O ATOM 742 CB ALA A 46 92.672 -2.073 10.080 1.00 0.00 C ATOM 0 H ALA A 46 95.370 -1.147 8.889 1.00 0.00 H new ATOM 0 HA ALA A 46 94.672 -2.885 10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 46 92.250 -2.868 10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 46 92.941 -1.228 10.714 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.935 -1.753 9.343 1.00 0.00 H new ATOM 748 N GLY A 47 94.245 -4.005 7.390 1.00 0.00 N ATOM 749 CA GLY A 47 94.011 -5.164 6.527 1.00 0.00 C ATOM 750 C GLY A 47 92.881 -4.931 5.514 1.00 0.00 C ATOM 751 O GLY A 47 92.328 -5.894 4.977 1.00 0.00 O ATOM 0 H GLY A 47 94.955 -3.359 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.929 -5.404 5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.767 -6.028 7.145 1.00 0.00 H new ATOM 755 N LYS A 48 92.542 -3.659 5.249 1.00 0.00 N ATOM 756 CA LYS A 48 91.477 -3.335 4.290 1.00 0.00 C ATOM 757 C LYS A 48 92.002 -2.379 3.225 1.00 0.00 C ATOM 758 O LYS A 48 92.840 -1.518 3.513 1.00 0.00 O ATOM 759 CB LYS A 48 90.291 -2.682 5.004 1.00 0.00 C ATOM 760 CG LYS A 48 89.696 -3.659 6.021 1.00 0.00 C ATOM 761 CD LYS A 48 88.446 -3.048 6.670 1.00 0.00 C ATOM 762 CE LYS A 48 88.852 -1.946 7.656 1.00 0.00 C ATOM 763 NZ LYS A 48 87.661 -1.505 8.433 1.00 0.00 N ATOM 0 H LYS A 48 92.985 -2.848 5.680 1.00 0.00 H new ATOM 0 HA LYS A 48 91.149 -4.263 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 48 90.615 -1.771 5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.532 -2.392 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 48 89.438 -4.597 5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.435 -3.894 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 48 87.791 -2.637 5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 48 87.881 -3.822 7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.623 -2.315 8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 48 89.280 -1.101 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 87.939 -0.758 9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 86.939 -1.136 7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 87.272 -2.313 8.960 1.00 0.00 H new ATOM 777 N GLN A 49 91.494 -2.523 1.997 1.00 0.00 N ATOM 778 CA GLN A 49 91.909 -1.662 0.892 1.00 0.00 C ATOM 779 C GLN A 49 91.218 -0.308 0.988 1.00 0.00 C ATOM 780 O GLN A 49 89.999 -0.230 1.176 1.00 0.00 O ATOM 781 CB GLN A 49 91.559 -2.316 -0.449 1.00 0.00 C ATOM 782 CG GLN A 49 92.203 -1.522 -1.590 1.00 0.00 C ATOM 783 CD GLN A 49 91.787 -2.106 -2.932 1.00 0.00 C ATOM 784 OE1 GLN A 49 90.623 -2.455 -3.125 1.00 0.00 O ATOM 785 NE2 GLN A 49 92.674 -2.230 -3.877 1.00 0.00 N ATOM 0 H GLN A 49 90.798 -3.225 1.747 1.00 0.00 H new ATOM 0 HA GLN A 49 92.988 -1.520 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 49 91.912 -3.347 -0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 49 90.477 -2.347 -0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 49 91.902 -0.476 -1.531 1.00 0.00 H new ATOM 0 HG3 GLN A 49 93.288 -1.548 -1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 49 93.638 -1.939 -3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 49 92.405 -2.618 -4.781 1.00 0.00 H new ATOM 794 N LEU A 50 92.014 0.747 0.851 1.00 0.00 N ATOM 795 CA LEU A 50 91.497 2.110 0.921 1.00 0.00 C ATOM 796 C LEU A 50 91.087 2.594 -0.462 1.00 0.00 C ATOM 797 O LEU A 50 91.932 2.956 -1.287 1.00 0.00 O ATOM 798 CB LEU A 50 92.566 3.043 1.512 1.00 0.00 C ATOM 799 CG LEU A 50 93.023 2.536 2.899 1.00 0.00 C ATOM 800 CD1 LEU A 50 94.192 3.388 3.390 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.865 2.621 3.908 1.00 0.00 C ATOM 0 H LEU A 50 93.019 0.685 0.691 1.00 0.00 H new ATOM 0 HA LEU A 50 90.618 2.120 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.421 3.098 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 50 92.166 4.053 1.602 1.00 0.00 H new ATOM 0 HG LEU A 50 93.336 1.496 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.516 3.032 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 50 95.019 3.312 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.876 4.428 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 50 92.202 2.261 4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.537 3.656 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 50 91.034 2.006 3.561 1.00 0.00 H new ATOM 813 N GLU A 51 89.779 2.583 -0.696 1.00 0.00 N ATOM 814 CA GLU A 51 89.222 3.006 -1.975 1.00 0.00 C ATOM 815 C GLU A 51 89.491 4.489 -2.216 1.00 0.00 C ATOM 816 O GLU A 51 89.300 5.320 -1.325 1.00 0.00 O ATOM 817 CB GLU A 51 87.716 2.744 -2.004 1.00 0.00 C ATOM 818 CG GLU A 51 87.205 2.878 -3.445 1.00 0.00 C ATOM 819 CD GLU A 51 87.727 1.741 -4.334 1.00 0.00 C ATOM 820 OE1 GLU A 51 87.541 1.837 -5.534 1.00 0.00 O ATOM 821 OE2 GLU A 51 88.295 0.786 -3.813 1.00 0.00 O ATOM 0 H GLU A 51 89.083 2.284 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 51 89.704 2.430 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 51 87.502 1.746 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 51 87.200 3.452 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 51 86.115 2.873 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 51 87.520 3.837 -3.856 1.00 0.00 H new ATOM 828 N ASP A 52 89.957 4.796 -3.425 1.00 0.00 N ATOM 829 CA ASP A 52 90.285 6.172 -3.801 1.00 0.00 C ATOM 830 C ASP A 52 89.087 7.099 -3.608 1.00 0.00 C ATOM 831 O ASP A 52 89.252 8.246 -3.178 1.00 0.00 O ATOM 832 CB ASP A 52 90.737 6.216 -5.263 1.00 0.00 C ATOM 833 CG ASP A 52 92.229 5.898 -5.371 1.00 0.00 C ATOM 834 OD1 ASP A 52 92.984 6.343 -4.519 1.00 0.00 O ATOM 835 OD2 ASP A 52 92.596 5.209 -6.310 1.00 0.00 O ATOM 0 H ASP A 52 90.117 4.110 -4.163 1.00 0.00 H new ATOM 0 HA ASP A 52 91.092 6.516 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 52 90.163 5.499 -5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 52 90.538 7.202 -5.682 1.00 0.00 H new ATOM 840 N GLY A 53 87.893 6.601 -3.935 1.00 0.00 N ATOM 841 CA GLY A 53 86.665 7.393 -3.808 1.00 0.00 C ATOM 842 C GLY A 53 86.160 7.484 -2.358 1.00 0.00 C ATOM 843 O GLY A 53 85.058 7.983 -2.122 1.00 0.00 O ATOM 0 H GLY A 53 87.749 5.655 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.846 8.398 -4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.888 6.951 -4.431 1.00 0.00 H new ATOM 847 N ARG A 54 86.963 7.008 -1.403 1.00 0.00 N ATOM 848 CA ARG A 54 86.583 7.048 0.011 1.00 0.00 C ATOM 849 C ARG A 54 87.492 7.987 0.786 1.00 0.00 C ATOM 850 O ARG A 54 88.587 8.321 0.327 1.00 0.00 O ATOM 851 CB ARG A 54 86.653 5.644 0.614 1.00 0.00 C ATOM 852 CG ARG A 54 85.517 4.776 0.057 1.00 0.00 C ATOM 853 CD ARG A 54 84.198 5.139 0.744 1.00 0.00 C ATOM 854 NE ARG A 54 83.102 4.364 0.161 1.00 0.00 N ATOM 855 CZ ARG A 54 82.359 4.813 -0.870 1.00 0.00 C ATOM 856 NH1 ARG A 54 82.582 5.983 -1.431 1.00 0.00 N ATOM 857 NH2 ARG A 54 81.399 4.062 -1.332 1.00 0.00 N ATOM 0 H ARG A 54 87.877 6.592 -1.582 1.00 0.00 H new ATOM 0 HA ARG A 54 85.560 7.418 0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.616 5.188 0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.579 5.702 1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 54 85.429 4.924 -1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.742 3.721 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 54 84.268 4.939 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.001 6.205 0.632 1.00 0.00 H new ATOM 0 HE ARG A 54 82.892 3.445 0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 54 83.335 6.578 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 54 82.002 6.294 -2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 54 81.219 3.149 -0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 54 80.827 4.387 -2.112 1.00 0.00 H new ATOM 871 N THR A 55 87.021 8.416 1.960 1.00 0.00 N ATOM 872 CA THR A 55 87.789 9.328 2.802 1.00 0.00 C ATOM 873 C THR A 55 88.376 8.596 4.002 1.00 0.00 C ATOM 874 O THR A 55 87.904 7.523 4.382 1.00 0.00 O ATOM 875 CB THR A 55 86.897 10.480 3.282 1.00 0.00 C ATOM 876 OG1 THR A 55 85.789 9.955 3.997 1.00 0.00 O ATOM 877 CG2 THR A 55 86.401 11.291 2.083 1.00 0.00 C ATOM 0 H THR A 55 86.116 8.146 2.345 1.00 0.00 H new ATOM 0 HA THR A 55 88.609 9.730 2.207 1.00 0.00 H new ATOM 0 HB THR A 55 87.475 11.132 3.937 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.220 10.691 4.305 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.768 12.107 2.432 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.254 11.700 1.542 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.826 10.645 1.419 1.00 0.00 H new ATOM 885 N LEU A 56 89.432 9.180 4.565 1.00 0.00 N ATOM 886 CA LEU A 56 90.131 8.585 5.699 1.00 0.00 C ATOM 887 C LEU A 56 89.189 8.393 6.883 1.00 0.00 C ATOM 888 O LEU A 56 89.228 7.352 7.546 1.00 0.00 O ATOM 889 CB LEU A 56 91.296 9.493 6.112 1.00 0.00 C ATOM 890 CG LEU A 56 92.372 9.513 5.014 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.349 10.659 5.281 1.00 0.00 C ATOM 892 CD2 LEU A 56 93.148 8.190 5.012 1.00 0.00 C ATOM 0 H LEU A 56 89.823 10.069 4.252 1.00 0.00 H new ATOM 0 HA LEU A 56 90.508 7.607 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 56 90.932 10.504 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.728 9.139 7.048 1.00 0.00 H new ATOM 0 HG LEU A 56 91.887 9.651 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.113 10.675 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 56 92.809 11.606 5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.823 10.514 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.908 8.215 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.628 8.048 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.461 7.365 4.824 1.00 0.00 H new ATOM 904 N SER A 57 88.339 9.389 7.140 1.00 0.00 N ATOM 905 CA SER A 57 87.379 9.305 8.246 1.00 0.00 C ATOM 906 C SER A 57 86.468 8.083 8.086 1.00 0.00 C ATOM 907 O SER A 57 86.043 7.482 9.074 1.00 0.00 O ATOM 908 CB SER A 57 86.524 10.573 8.299 1.00 0.00 C ATOM 909 OG SER A 57 87.371 11.710 8.351 1.00 0.00 O ATOM 0 H SER A 57 88.294 10.256 6.604 1.00 0.00 H new ATOM 0 HA SER A 57 87.941 9.205 9.174 1.00 0.00 H new ATOM 0 HB2 SER A 57 85.878 10.626 7.422 1.00 0.00 H new ATOM 0 HB3 SER A 57 85.873 10.550 9.173 1.00 0.00 H new ATOM 0 HG SER A 57 86.825 12.523 8.383 1.00 0.00 H new ATOM 915 N ASP A 58 86.175 7.735 6.831 1.00 0.00 N ATOM 916 CA ASP A 58 85.315 6.594 6.520 1.00 0.00 C ATOM 917 C ASP A 58 85.949 5.273 6.967 1.00 0.00 C ATOM 918 O ASP A 58 85.240 4.334 7.342 1.00 0.00 O ATOM 919 CB ASP A 58 85.039 6.540 5.014 1.00 0.00 C ATOM 920 CG ASP A 58 83.838 5.639 4.719 1.00 0.00 C ATOM 921 OD1 ASP A 58 83.696 4.621 5.380 1.00 0.00 O ATOM 922 OD2 ASP A 58 83.074 5.982 3.832 1.00 0.00 O ATOM 0 H ASP A 58 86.523 8.231 6.011 1.00 0.00 H new ATOM 0 HA ASP A 58 84.380 6.727 7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 58 84.848 7.545 4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 58 85.919 6.166 4.491 1.00 0.00 H new ATOM 927 N TYR A 59 87.285 5.200 6.911 1.00 0.00 N ATOM 928 CA TYR A 59 88.000 3.975 7.300 1.00 0.00 C ATOM 929 C TYR A 59 88.393 3.969 8.782 1.00 0.00 C ATOM 930 O TYR A 59 89.167 3.102 9.203 1.00 0.00 O ATOM 931 CB TYR A 59 89.260 3.810 6.451 1.00 0.00 C ATOM 932 CG TYR A 59 88.871 3.576 5.008 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.937 4.627 4.087 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.444 2.306 4.594 1.00 0.00 C ATOM 935 CE1 TYR A 59 88.575 4.411 2.754 1.00 0.00 C ATOM 936 CE2 TYR A 59 88.082 2.092 3.258 1.00 0.00 C ATOM 937 CZ TYR A 59 88.148 3.147 2.338 1.00 0.00 C ATOM 938 OH TYR A 59 87.787 2.940 1.024 1.00 0.00 O ATOM 0 H TYR A 59 87.888 5.964 6.604 1.00 0.00 H new ATOM 0 HA TYR A 59 87.315 3.144 7.131 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.884 4.700 6.530 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.852 2.972 6.819 1.00 0.00 H new ATOM 0 HD1 TYR A 59 89.267 5.605 4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.394 1.494 5.304 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.625 5.223 2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 59 87.752 1.115 2.937 1.00 0.00 H new ATOM 0 HH TYR A 59 87.102 2.241 0.979 1.00 0.00 H new ATOM 948 N ASN A 60 87.870 4.917 9.574 1.00 0.00 N ATOM 949 CA ASN A 60 88.187 4.978 11.001 1.00 0.00 C ATOM 950 C ASN A 60 89.700 5.101 11.223 1.00 0.00 C ATOM 951 O ASN A 60 90.312 4.311 11.955 1.00 0.00 O ATOM 952 CB ASN A 60 87.629 3.735 11.709 1.00 0.00 C ATOM 953 CG ASN A 60 86.102 3.773 11.721 1.00 0.00 C ATOM 954 OD1 ASN A 60 85.504 4.843 11.848 1.00 0.00 O ATOM 955 ND2 ASN A 60 85.433 2.661 11.595 1.00 0.00 N ATOM 0 H ASN A 60 87.232 5.644 9.251 1.00 0.00 H new ATOM 0 HA ASN A 60 87.719 5.866 11.427 1.00 0.00 H new ATOM 0 HB2 ASN A 60 87.973 2.834 11.202 1.00 0.00 H new ATOM 0 HB3 ASN A 60 88.007 3.690 12.731 1.00 0.00 H new ATOM 0 HD21 ASN A 60 84.413 2.676 11.601 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.930 1.776 11.490 1.00 0.00 H new ATOM 962 N ILE A 61 90.296 6.117 10.595 1.00 0.00 N ATOM 963 CA ILE A 61 91.730 6.367 10.733 1.00 0.00 C ATOM 964 C ILE A 61 91.930 7.574 11.646 1.00 0.00 C ATOM 965 O ILE A 61 91.499 8.683 11.320 1.00 0.00 O ATOM 966 CB ILE A 61 92.372 6.625 9.352 1.00 0.00 C ATOM 967 CG1 ILE A 61 92.146 5.405 8.441 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.886 6.858 9.516 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.454 5.773 6.985 1.00 0.00 C ATOM 0 H ILE A 61 89.809 6.777 9.989 1.00 0.00 H new ATOM 0 HA ILE A 61 92.213 5.492 11.167 1.00 0.00 H new ATOM 0 HB ILE A 61 91.913 7.507 8.906 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.784 4.580 8.759 1.00 0.00 H new ATOM 0 HG13 ILE A 61 91.115 5.062 8.528 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.334 7.039 8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 61 94.054 7.723 10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 61 94.343 5.977 9.967 1.00 0.00 H new ATOM 0 HD11 ILE A 61 92.291 4.904 6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.798 6.583 6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.492 6.094 6.903 1.00 0.00 H new ATOM 981 N GLN A 62 92.571 7.343 12.793 1.00 0.00 N ATOM 982 CA GLN A 62 92.811 8.407 13.760 1.00 0.00 C ATOM 983 C GLN A 62 94.216 8.994 13.595 1.00 0.00 C ATOM 984 O GLN A 62 94.942 8.641 12.663 1.00 0.00 O ATOM 985 CB GLN A 62 92.623 7.855 15.182 1.00 0.00 C ATOM 986 CG GLN A 62 91.140 7.561 15.424 1.00 0.00 C ATOM 987 CD GLN A 62 90.947 6.927 16.797 1.00 0.00 C ATOM 988 OE1 GLN A 62 91.487 5.853 17.066 1.00 0.00 O ATOM 989 NE2 GLN A 62 90.206 7.528 17.687 1.00 0.00 N ATOM 0 H GLN A 62 92.931 6.430 13.071 1.00 0.00 H new ATOM 0 HA GLN A 62 92.094 9.209 13.585 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.211 6.946 15.311 1.00 0.00 H new ATOM 0 HB3 GLN A 62 92.986 8.576 15.914 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.563 8.483 15.357 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.763 6.892 14.650 1.00 0.00 H new ATOM 0 HE21 GLN A 62 89.760 8.417 17.463 1.00 0.00 H new ATOM 0 HE22 GLN A 62 90.073 7.109 18.607 1.00 0.00 H new ATOM 998 N LYS A 63 94.577 9.894 14.511 1.00 0.00 N ATOM 999 CA LYS A 63 95.876 10.550 14.496 1.00 0.00 C ATOM 1000 C LYS A 63 96.993 9.545 14.744 1.00 0.00 C ATOM 1001 O LYS A 63 96.869 8.660 15.593 1.00 0.00 O ATOM 1002 CB LYS A 63 95.911 11.621 15.586 1.00 0.00 C ATOM 1003 CG LYS A 63 94.924 12.734 15.238 1.00 0.00 C ATOM 1004 CD LYS A 63 94.954 13.805 16.323 1.00 0.00 C ATOM 1005 CE LYS A 63 94.003 14.933 15.933 1.00 0.00 C ATOM 1006 NZ LYS A 63 94.020 15.987 16.987 1.00 0.00 N ATOM 0 H LYS A 63 93.975 10.185 15.281 1.00 0.00 H new ATOM 0 HA LYS A 63 96.027 11.003 13.516 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.655 11.182 16.550 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.918 12.029 15.678 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.181 13.172 14.274 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.918 12.325 15.145 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.659 13.378 17.282 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.966 14.191 16.444 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.300 15.358 14.974 1.00 0.00 H new ATOM 0 HE3 LYS A 63 92.992 14.544 15.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 93.372 16.755 16.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 93.716 15.577 17.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 94.984 16.366 17.084 1.00 0.00 H new ATOM 1020 N GLU A 64 98.080 9.694 13.989 1.00 0.00 N ATOM 1021 CA GLU A 64 99.235 8.808 14.109 1.00 0.00 C ATOM 1022 C GLU A 64 98.825 7.347 13.897 1.00 0.00 C ATOM 1023 O GLU A 64 98.583 6.605 14.856 1.00 0.00 O ATOM 1024 CB GLU A 64 99.886 8.978 15.483 1.00 0.00 C ATOM 1025 CG GLU A 64 100.554 10.354 15.581 1.00 0.00 C ATOM 1026 CD GLU A 64 101.146 10.594 16.978 1.00 0.00 C ATOM 1027 OE1 GLU A 64 101.596 11.700 17.213 1.00 0.00 O ATOM 1028 OE2 GLU A 64 101.151 9.675 17.793 1.00 0.00 O ATOM 0 H GLU A 64 98.184 10.424 13.284 1.00 0.00 H new ATOM 0 HA GLU A 64 99.956 9.077 13.337 1.00 0.00 H new ATOM 0 HB2 GLU A 64 99.135 8.873 16.266 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.626 8.194 15.644 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.343 10.431 14.832 1.00 0.00 H new ATOM 0 HG3 GLU A 64 99.824 11.131 15.356 1.00 0.00 H new ATOM 1035 N SER A 65 98.756 6.949 12.628 1.00 0.00 N ATOM 1036 CA SER A 65 98.387 5.583 12.265 1.00 0.00 C ATOM 1037 C SER A 65 99.387 5.037 11.254 1.00 0.00 C ATOM 1038 O SER A 65 99.953 5.800 10.466 1.00 0.00 O ATOM 1039 CB SER A 65 96.976 5.562 11.674 1.00 0.00 C ATOM 1040 OG SER A 65 96.051 6.015 12.653 1.00 0.00 O ATOM 0 H SER A 65 98.952 7.556 11.832 1.00 0.00 H new ATOM 0 HA SER A 65 98.402 4.957 13.157 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.930 6.199 10.791 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.719 4.553 11.353 1.00 0.00 H new ATOM 0 HG SER A 65 95.792 6.939 12.456 1.00 0.00 H new ATOM 1046 N THR A 66 99.606 3.721 11.286 1.00 0.00 N ATOM 1047 CA THR A 66 100.553 3.089 10.370 1.00 0.00 C ATOM 1048 C THR A 66 99.819 2.429 9.210 1.00 0.00 C ATOM 1049 O THR A 66 99.050 1.485 9.403 1.00 0.00 O ATOM 1050 CB THR A 66 101.384 2.040 11.118 1.00 0.00 C ATOM 1051 OG1 THR A 66 101.905 2.615 12.309 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.542 1.575 10.232 1.00 0.00 C ATOM 0 H THR A 66 99.145 3.079 11.930 1.00 0.00 H new ATOM 0 HA THR A 66 101.214 3.859 9.973 1.00 0.00 H new ATOM 0 HB THR A 66 100.753 1.187 11.367 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.435 1.946 12.790 1.00 0.00 H new ATOM 0 HG21 THR A 66 103.132 0.829 10.765 1.00 0.00 H new ATOM 0 HG22 THR A 66 102.146 1.137 9.316 1.00 0.00 H new ATOM 0 HG23 THR A 66 103.174 2.427 9.983 1.00 0.00 H new ATOM 1060 N LEU A 67 100.065 2.947 8.007 1.00 0.00 N ATOM 1061 CA LEU A 67 99.431 2.426 6.800 1.00 0.00 C ATOM 1062 C LEU A 67 100.416 1.583 6.003 1.00 0.00 C ATOM 1063 O LEU A 67 101.561 1.985 5.804 1.00 0.00 O ATOM 1064 CB LEU A 67 98.951 3.587 5.925 1.00 0.00 C ATOM 1065 CG LEU A 67 97.840 4.366 6.645 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.647 5.725 5.966 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.522 3.584 6.571 1.00 0.00 C ATOM 0 H LEU A 67 100.700 3.728 7.844 1.00 0.00 H new ATOM 0 HA LEU A 67 98.584 1.807 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.785 4.252 5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.581 3.206 4.973 1.00 0.00 H new ATOM 0 HG LEU A 67 98.124 4.506 7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.859 6.278 6.477 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.577 6.291 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.368 5.574 4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.739 4.142 7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.242 3.441 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.648 2.613 7.049 1.00 0.00 H new ATOM 1079 N HIS A 68 99.955 0.422 5.541 1.00 0.00 N ATOM 1080 CA HIS A 68 100.800 -0.471 4.756 1.00 0.00 C ATOM 1081 C HIS A 68 100.593 -0.211 3.275 1.00 0.00 C ATOM 1082 O HIS A 68 99.466 -0.235 2.786 1.00 0.00 O ATOM 1083 CB HIS A 68 100.463 -1.939 5.078 1.00 0.00 C ATOM 1084 CG HIS A 68 101.325 -2.436 6.206 1.00 0.00 C ATOM 1085 ND1 HIS A 68 101.217 -1.938 7.494 1.00 0.00 N ATOM 1086 CD2 HIS A 68 102.331 -3.367 6.243 1.00 0.00 C ATOM 1087 CE1 HIS A 68 102.139 -2.567 8.247 1.00 0.00 C ATOM 1088 NE2 HIS A 68 102.844 -3.449 7.532 1.00 0.00 N ATOM 0 H HIS A 68 99.006 0.081 5.696 1.00 0.00 H new ATOM 0 HA HIS A 68 101.843 -0.282 5.011 1.00 0.00 H new ATOM 0 HB2 HIS A 68 99.411 -2.027 5.349 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.617 -2.557 4.194 1.00 0.00 H new ATOM 0 HD2 HIS A 68 102.673 -3.948 5.399 1.00 0.00 H new ATOM 0 HE1 HIS A 68 102.290 -2.381 9.300 1.00 0.00 H new ATOM 0 HE2 HIS A 68 103.597 -4.053 7.862 1.00 0.00 H new ATOM 1096 N LEU A 69 101.698 0.039 2.573 1.00 0.00 N ATOM 1097 CA LEU A 69 101.649 0.306 1.142 1.00 0.00 C ATOM 1098 C LEU A 69 102.247 -0.857 0.363 1.00 0.00 C ATOM 1099 O LEU A 69 103.279 -1.413 0.745 1.00 0.00 O ATOM 1100 CB LEU A 69 102.423 1.594 0.812 1.00 0.00 C ATOM 1101 CG LEU A 69 102.222 1.961 -0.671 1.00 0.00 C ATOM 1102 CD1 LEU A 69 100.814 2.553 -0.892 1.00 0.00 C ATOM 1103 CD2 LEU A 69 103.290 2.975 -1.103 1.00 0.00 C ATOM 0 H LEU A 69 102.635 0.061 2.974 1.00 0.00 H new ATOM 0 HA LEU A 69 100.605 0.430 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.077 2.409 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 69 103.484 1.455 1.021 1.00 0.00 H new ATOM 0 HG LEU A 69 102.318 1.058 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 69 100.687 2.807 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.061 1.820 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 69 100.698 3.451 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.144 3.232 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.205 3.875 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 69 104.280 2.539 -0.970 1.00 0.00 H new ATOM 1115 N VAL A 70 101.591 -1.197 -0.742 1.00 0.00 N ATOM 1116 CA VAL A 70 102.046 -2.275 -1.613 1.00 0.00 C ATOM 1117 C VAL A 70 102.322 -1.679 -2.984 1.00 0.00 C ATOM 1118 O VAL A 70 101.654 -0.717 -3.382 1.00 0.00 O ATOM 1119 CB VAL A 70 100.975 -3.377 -1.725 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.524 -4.549 -2.549 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.586 -3.878 -0.324 1.00 0.00 C ATOM 0 H VAL A 70 100.736 -0.738 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 70 102.947 -2.729 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 70 100.094 -2.965 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.764 -5.327 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.789 -4.200 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.410 -4.954 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 70 99.829 -4.657 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.466 -4.284 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.187 -3.049 0.261 1.00 0.00 H new ATOM 1131 N LEU A 71 103.304 -2.228 -3.699 1.00 0.00 N ATOM 1132 CA LEU A 71 103.641 -1.702 -5.016 1.00 0.00 C ATOM 1133 C LEU A 71 103.081 -2.616 -6.091 1.00 0.00 C ATOM 1134 O LEU A 71 103.222 -3.841 -6.013 1.00 0.00 O ATOM 1135 CB LEU A 71 105.172 -1.564 -5.169 1.00 0.00 C ATOM 1136 CG LEU A 71 105.521 -0.468 -6.197 1.00 0.00 C ATOM 1137 CD1 LEU A 71 105.157 0.916 -5.628 1.00 0.00 C ATOM 1138 CD2 LEU A 71 107.027 -0.502 -6.504 1.00 0.00 C ATOM 0 H LEU A 71 103.869 -3.021 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 71 103.198 -0.712 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.618 -1.320 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.598 -2.516 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 71 104.956 -0.650 -7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.406 1.686 -6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 71 104.089 0.951 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.718 1.091 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 71 107.268 0.274 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.589 -0.327 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 71 107.293 -1.477 -6.913 1.00 0.00 H new ATOM 1150 N ARG A 72 102.455 -2.010 -7.096 1.00 0.00 N ATOM 1151 CA ARG A 72 101.877 -2.769 -8.204 1.00 0.00 C ATOM 1152 C ARG A 72 102.905 -2.996 -9.314 1.00 0.00 C ATOM 1153 O ARG A 72 102.545 -3.382 -10.426 1.00 0.00 O ATOM 1154 CB ARG A 72 100.678 -2.022 -8.768 1.00 0.00 C ATOM 1155 CG ARG A 72 99.594 -1.951 -7.697 1.00 0.00 C ATOM 1156 CD ARG A 72 98.466 -1.063 -8.193 1.00 0.00 C ATOM 1157 NE ARG A 72 97.778 -1.687 -9.327 1.00 0.00 N ATOM 1158 CZ ARG A 72 96.793 -1.074 -10.013 1.00 0.00 C ATOM 1159 NH1 ARG A 72 96.387 0.137 -9.701 1.00 0.00 N ATOM 1160 NH2 ARG A 72 96.228 -1.699 -11.008 1.00 0.00 N ATOM 0 H ARG A 72 102.335 -1.000 -7.167 1.00 0.00 H new ATOM 0 HA ARG A 72 101.563 -3.740 -7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 72 100.970 -1.018 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 72 100.300 -2.531 -9.655 1.00 0.00 H new ATOM 0 HG2 ARG A 72 99.217 -2.950 -7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 72 100.006 -1.553 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 72 97.757 -0.882 -7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 72 98.864 -0.093 -8.491 1.00 0.00 H new ATOM 0 HE ARG A 72 98.057 -2.627 -9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 72 96.820 0.635 -8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 72 95.639 0.578 -10.237 1.00 0.00 H new ATOM 0 HH21 ARG A 72 96.533 -2.640 -11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 72 95.481 -1.247 -11.536 1.00 0.00 H new ATOM 1174 N LEU A 73 104.182 -2.742 -9.006 1.00 0.00 N ATOM 1175 CA LEU A 73 105.256 -2.903 -9.971 1.00 0.00 C ATOM 1176 C LEU A 73 105.168 -4.267 -10.642 1.00 0.00 C ATOM 1177 O LEU A 73 105.027 -5.291 -9.966 1.00 0.00 O ATOM 1178 CB LEU A 73 106.605 -2.781 -9.252 1.00 0.00 C ATOM 1179 CG LEU A 73 107.719 -2.362 -10.244 1.00 0.00 C ATOM 1180 CD1 LEU A 73 108.801 -1.556 -9.516 1.00 0.00 C ATOM 1181 CD2 LEU A 73 108.365 -3.604 -10.874 1.00 0.00 C ATOM 0 H LEU A 73 104.490 -2.422 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 73 105.165 -2.128 -10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 73 106.530 -2.046 -8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 73 106.863 -3.733 -8.789 1.00 0.00 H new ATOM 0 HG LEU A 73 107.268 -1.749 -11.024 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.578 -1.268 -10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 73 108.357 -0.661 -9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 73 109.239 -2.166 -8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 73 109.146 -3.295 -11.569 1.00 0.00 H new ATOM 0 HD22 LEU A 73 108.801 -4.224 -10.091 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.608 -4.176 -11.410 1.00 0.00 H new ATOM 1193 N ARG A 74 105.255 -4.266 -11.969 1.00 0.00 N ATOM 1194 CA ARG A 74 105.187 -5.500 -12.732 1.00 0.00 C ATOM 1195 C ARG A 74 106.552 -6.175 -12.776 1.00 0.00 C ATOM 1196 O ARG A 74 107.555 -5.555 -13.144 1.00 0.00 O ATOM 1197 CB ARG A 74 104.718 -5.200 -14.151 1.00 0.00 C ATOM 1198 CG ARG A 74 104.305 -6.499 -14.839 1.00 0.00 C ATOM 1199 CD ARG A 74 103.804 -6.187 -16.249 1.00 0.00 C ATOM 1200 NE ARG A 74 104.913 -5.723 -17.092 1.00 0.00 N ATOM 1201 CZ ARG A 74 104.743 -5.310 -18.363 1.00 0.00 C ATOM 1202 NH1 ARG A 74 103.561 -5.303 -18.937 1.00 0.00 N ATOM 1203 NH2 ARG A 74 105.783 -4.909 -19.044 1.00 0.00 N ATOM 0 H ARG A 74 105.372 -3.425 -12.534 1.00 0.00 H new ATOM 0 HA ARG A 74 104.479 -6.173 -12.248 1.00 0.00 H new ATOM 0 HB2 ARG A 74 103.878 -4.506 -14.128 1.00 0.00 H new ATOM 0 HB3 ARG A 74 105.516 -4.716 -14.714 1.00 0.00 H new ATOM 0 HG2 ARG A 74 105.151 -7.185 -14.885 1.00 0.00 H new ATOM 0 HG3 ARG A 74 103.523 -6.996 -14.264 1.00 0.00 H new ATOM 0 HD2 ARG A 74 103.353 -7.077 -16.687 1.00 0.00 H new ATOM 0 HD3 ARG A 74 103.027 -5.424 -16.206 1.00 0.00 H new ATOM 0 HE ARG A 74 105.854 -5.713 -16.698 1.00 0.00 H new ATOM 0 HH11 ARG A 74 102.740 -5.616 -18.418 1.00 0.00 H new ATOM 0 HH12 ARG A 74 103.464 -4.984 -19.901 1.00 0.00 H new ATOM 0 HH21 ARG A 74 106.707 -4.912 -18.612 1.00 0.00 H new ATOM 0 HH22 ARG A 74 105.671 -4.593 -20.007 1.00 0.00 H new ATOM 1217 N GLY A 75 106.571 -7.448 -12.400 1.00 0.00 N ATOM 1218 CA GLY A 75 107.809 -8.228 -12.392 1.00 0.00 C ATOM 1219 C GLY A 75 108.351 -8.412 -13.807 1.00 0.00 C ATOM 1220 O GLY A 75 109.564 -8.374 -14.025 1.00 0.00 O ATOM 0 H GLY A 75 105.746 -7.965 -12.096 1.00 0.00 H new ATOM 0 HA2 GLY A 75 108.555 -7.726 -11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 75 107.626 -9.203 -11.940 1.00 0.00 H new ATOM 1224 N GLY A 76 107.437 -8.607 -14.759 1.00 0.00 N ATOM 1225 CA GLY A 76 107.811 -8.797 -16.158 1.00 0.00 C ATOM 1226 C GLY A 76 107.645 -10.255 -16.571 1.00 0.00 C ATOM 1227 O GLY A 76 107.076 -10.491 -17.623 1.00 0.00 O ATOM 1228 OXT GLY A 76 108.092 -11.114 -15.827 1.00 0.00 O ATOM 0 H GLY A 76 106.432 -8.637 -14.585 1.00 0.00 H new ATOM 0 HA2 GLY A 76 107.193 -8.162 -16.793 1.00 0.00 H new ATOM 0 HA3 GLY A 76 108.845 -8.488 -16.308 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 115.775 -12.590 -9.119 1.00 0.00 N ATOM 1234 CA GLN B 198 115.677 -11.456 -8.157 1.00 0.00 C ATOM 1235 C GLN B 198 114.225 -11.327 -7.686 1.00 0.00 C ATOM 1236 O GLN B 198 113.438 -10.555 -8.246 1.00 0.00 O ATOM 1237 CB GLN B 198 116.141 -10.162 -8.846 1.00 0.00 C ATOM 1238 CG GLN B 198 116.190 -9.021 -7.825 1.00 0.00 C ATOM 1239 CD GLN B 198 116.610 -7.722 -8.504 1.00 0.00 C ATOM 1240 OE1 GLN B 198 115.919 -7.238 -9.401 1.00 0.00 O ATOM 1241 NE2 GLN B 198 117.708 -7.126 -8.128 1.00 0.00 N ATOM 0 HA GLN B 198 116.315 -11.637 -7.292 1.00 0.00 H new ATOM 0 HB2 GLN B 198 117.126 -10.308 -9.290 1.00 0.00 H new ATOM 0 HB3 GLN B 198 115.460 -9.907 -9.658 1.00 0.00 H new ATOM 0 HG2 GLN B 198 115.212 -8.897 -7.361 1.00 0.00 H new ATOM 0 HG3 GLN B 198 116.892 -9.267 -7.028 1.00 0.00 H new ATOM 0 HE21 GLN B 198 118.278 -7.529 -7.385 1.00 0.00 H new ATOM 0 HE22 GLN B 198 117.996 -6.257 -8.577 1.00 0.00 H new ATOM 1250 N VAL B 199 113.880 -12.096 -6.651 1.00 0.00 N ATOM 1251 CA VAL B 199 112.524 -12.073 -6.098 1.00 0.00 C ATOM 1252 C VAL B 199 112.586 -11.733 -4.609 1.00 0.00 C ATOM 1253 O VAL B 199 113.382 -12.314 -3.867 1.00 0.00 O ATOM 1254 CB VAL B 199 111.835 -13.441 -6.302 1.00 0.00 C ATOM 1255 CG1 VAL B 199 110.394 -13.394 -5.773 1.00 0.00 C ATOM 1256 CG2 VAL B 199 111.800 -13.792 -7.795 1.00 0.00 C ATOM 0 H VAL B 199 114.517 -12.739 -6.181 1.00 0.00 H new ATOM 0 HA VAL B 199 111.941 -11.313 -6.618 1.00 0.00 H new ATOM 0 HB VAL B 199 112.401 -14.196 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL B 199 109.920 -14.364 -5.923 1.00 0.00 H new ATOM 0 HG12 VAL B 199 110.404 -13.155 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL B 199 109.834 -12.629 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL B 199 111.313 -14.758 -7.930 1.00 0.00 H new ATOM 0 HG22 VAL B 199 111.244 -13.026 -8.336 1.00 0.00 H new ATOM 0 HG23 VAL B 199 112.818 -13.842 -8.181 1.00 0.00 H new ATOM 1266 N THR B 200 111.744 -10.787 -4.189 1.00 0.00 N ATOM 1267 CA THR B 200 111.697 -10.363 -2.797 1.00 0.00 C ATOM 1268 C THR B 200 110.308 -10.625 -2.218 1.00 0.00 C ATOM 1269 O THR B 200 109.298 -10.206 -2.791 1.00 0.00 O ATOM 1270 CB THR B 200 112.033 -8.869 -2.701 1.00 0.00 C ATOM 1271 OG1 THR B 200 113.291 -8.633 -3.316 1.00 0.00 O ATOM 1272 CG2 THR B 200 112.103 -8.439 -1.233 1.00 0.00 C ATOM 0 H THR B 200 111.086 -10.302 -4.798 1.00 0.00 H new ATOM 0 HA THR B 200 112.430 -10.932 -2.224 1.00 0.00 H new ATOM 0 HB THR B 200 111.256 -8.295 -3.206 1.00 0.00 H new ATOM 0 HG1 THR B 200 113.509 -7.679 -3.259 1.00 0.00 H new ATOM 0 HG21 THR B 200 112.342 -7.377 -1.176 1.00 0.00 H new ATOM 0 HG22 THR B 200 111.141 -8.621 -0.754 1.00 0.00 H new ATOM 0 HG23 THR B 200 112.876 -9.013 -0.722 1.00 0.00 H new ATOM 1280 N LYS B 201 110.278 -11.313 -1.080 1.00 0.00 N ATOM 1281 CA LYS B 201 109.023 -11.628 -0.409 1.00 0.00 C ATOM 1282 C LYS B 201 108.559 -10.443 0.430 1.00 0.00 C ATOM 1283 O LYS B 201 109.371 -9.654 0.919 1.00 0.00 O ATOM 1284 CB LYS B 201 109.199 -12.860 0.477 1.00 0.00 C ATOM 1285 CG LYS B 201 109.432 -14.085 -0.407 1.00 0.00 C ATOM 1286 CD LYS B 201 109.649 -15.319 0.470 1.00 0.00 C ATOM 1287 CE LYS B 201 109.909 -16.536 -0.418 1.00 0.00 C ATOM 1288 NZ LYS B 201 110.142 -17.732 0.439 1.00 0.00 N ATOM 0 H LYS B 201 111.110 -11.663 -0.604 1.00 0.00 H new ATOM 0 HA LYS B 201 108.266 -11.839 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.042 -12.719 1.153 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.314 -13.007 1.097 1.00 0.00 H new ATOM 0 HG2 LYS B 201 108.576 -14.240 -1.064 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.300 -13.924 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS B 201 110.493 -15.158 1.141 1.00 0.00 H new ATOM 0 HD3 LYS B 201 108.773 -15.492 1.096 1.00 0.00 H new ATOM 0 HE2 LYS B 201 109.058 -16.707 -1.077 1.00 0.00 H new ATOM 0 HE3 LYS B 201 110.775 -16.357 -1.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 110.319 -18.561 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 110.967 -17.566 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 109.303 -17.905 1.029 1.00 0.00 H new ATOM 1302 N VAL B 202 107.242 -10.334 0.581 1.00 0.00 N ATOM 1303 CA VAL B 202 106.637 -9.251 1.359 1.00 0.00 C ATOM 1304 C VAL B 202 105.514 -9.795 2.236 1.00 0.00 C ATOM 1305 O VAL B 202 104.679 -10.577 1.779 1.00 0.00 O ATOM 1306 CB VAL B 202 106.098 -8.146 0.430 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.272 -7.448 -0.270 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.161 -8.746 -0.629 1.00 0.00 C ATOM 0 H VAL B 202 106.569 -10.984 0.174 1.00 0.00 H new ATOM 0 HA VAL B 202 107.406 -8.818 1.998 1.00 0.00 H new ATOM 0 HB VAL B 202 105.541 -7.425 1.029 1.00 0.00 H new ATOM 0 HG11 VAL B 202 106.891 -6.666 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL B 202 107.930 -7.005 0.478 1.00 0.00 H new ATOM 0 HG13 VAL B 202 107.830 -8.176 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL B 202 104.789 -7.953 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL B 202 105.707 -9.476 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.321 -9.236 -0.136 1.00 0.00 H new ATOM 1318 N ASP B 203 105.516 -9.376 3.500 1.00 0.00 N ATOM 1319 CA ASP B 203 104.506 -9.820 4.459 1.00 0.00 C ATOM 1320 C ASP B 203 103.145 -9.207 4.132 1.00 0.00 C ATOM 1321 O ASP B 203 103.078 -8.074 3.646 1.00 0.00 O ATOM 1322 CB ASP B 203 104.923 -9.404 5.868 1.00 0.00 C ATOM 1323 CG ASP B 203 106.176 -10.165 6.291 1.00 0.00 C ATOM 1324 OD1 ASP B 203 106.197 -11.372 6.122 1.00 0.00 O ATOM 1325 OD2 ASP B 203 107.096 -9.527 6.778 1.00 0.00 O ATOM 0 H ASP B 203 106.206 -8.730 3.884 1.00 0.00 H new ATOM 0 HA ASP B 203 104.425 -10.905 4.401 1.00 0.00 H new ATOM 0 HB2 ASP B 203 105.113 -8.331 5.897 1.00 0.00 H new ATOM 0 HB3 ASP B 203 104.113 -9.604 6.569 1.00 0.00 H new ATOM 1330 N CYS B 204 102.065 -9.951 4.409 1.00 0.00 N ATOM 1331 CA CYS B 204 100.714 -9.451 4.146 1.00 0.00 C ATOM 1332 C CYS B 204 100.167 -8.733 5.399 1.00 0.00 C ATOM 1333 O CYS B 204 100.131 -9.333 6.470 1.00 0.00 O ATOM 1334 CB CYS B 204 99.773 -10.603 3.761 1.00 0.00 C ATOM 1335 SG CYS B 204 98.123 -9.954 3.345 1.00 0.00 S ATOM 0 H CYS B 204 102.101 -10.888 4.810 1.00 0.00 H new ATOM 0 HA CYS B 204 100.763 -8.748 3.315 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.183 -11.148 2.911 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.696 -11.311 4.586 1.00 0.00 H new ATOM 1340 N PRO B 205 99.739 -7.475 5.310 1.00 0.00 N ATOM 1341 CA PRO B 205 99.190 -6.737 6.500 1.00 0.00 C ATOM 1342 C PRO B 205 97.790 -7.228 6.908 1.00 0.00 C ATOM 1343 O PRO B 205 97.268 -6.842 7.955 1.00 0.00 O ATOM 1344 CB PRO B 205 99.134 -5.281 6.032 1.00 0.00 C ATOM 1345 CG PRO B 205 99.033 -5.338 4.545 1.00 0.00 C ATOM 1346 CD PRO B 205 99.721 -6.619 4.100 1.00 0.00 C ATOM 0 HA PRO B 205 99.808 -6.888 7.385 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.277 -4.764 6.463 1.00 0.00 H new ATOM 0 HB3 PRO B 205 100.025 -4.735 6.343 1.00 0.00 H new ATOM 0 HG2 PRO B 205 97.990 -5.331 4.229 1.00 0.00 H new ATOM 0 HG3 PRO B 205 99.509 -4.468 4.093 1.00 0.00 H new ATOM 0 HD2 PRO B 205 99.179 -7.097 3.284 1.00 0.00 H new ATOM 0 HD3 PRO B 205 100.730 -6.422 3.739 1.00 0.00 H new ATOM 1354 N VAL B 206 97.192 -8.058 6.053 1.00 0.00 N ATOM 1355 CA VAL B 206 95.846 -8.593 6.272 1.00 0.00 C ATOM 1356 C VAL B 206 95.890 -9.925 7.008 1.00 0.00 C ATOM 1357 O VAL B 206 95.099 -10.173 7.924 1.00 0.00 O ATOM 1358 CB VAL B 206 95.183 -8.876 4.913 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.722 -9.322 5.098 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.228 -7.649 3.999 1.00 0.00 C ATOM 0 H VAL B 206 97.627 -8.379 5.188 1.00 0.00 H new ATOM 0 HA VAL B 206 95.296 -7.855 6.856 1.00 0.00 H new ATOM 0 HB VAL B 206 95.749 -9.681 4.443 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.275 -9.516 4.123 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.692 -10.231 5.698 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.163 -8.535 5.604 1.00 0.00 H new ATOM 0 HG21 VAL B 206 94.751 -7.886 3.048 1.00 0.00 H new ATOM 0 HG22 VAL B 206 94.700 -6.822 4.474 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.265 -7.364 3.823 1.00 0.00 H new ATOM 1370 N CYS B 207 96.763 -10.800 6.525 1.00 0.00 N ATOM 1371 CA CYS B 207 96.862 -12.154 7.051 1.00 0.00 C ATOM 1372 C CYS B 207 98.290 -12.515 7.483 1.00 0.00 C ATOM 1373 O CYS B 207 98.490 -13.485 8.218 1.00 0.00 O ATOM 1374 CB CYS B 207 96.340 -13.110 5.956 1.00 0.00 C ATOM 1375 SG CYS B 207 97.589 -13.398 4.663 1.00 0.00 S ATOM 0 H CYS B 207 97.414 -10.594 5.767 1.00 0.00 H new ATOM 0 HA CYS B 207 96.261 -12.241 7.956 1.00 0.00 H new ATOM 0 HB2 CYS B 207 96.058 -14.061 6.408 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.440 -12.691 5.506 1.00 0.00 H new ATOM 1380 N GLY B 208 99.272 -11.734 7.023 1.00 0.00 N ATOM 1381 CA GLY B 208 100.671 -11.982 7.368 1.00 0.00 C ATOM 1382 C GLY B 208 101.132 -13.321 6.815 1.00 0.00 C ATOM 1383 O GLY B 208 101.266 -14.296 7.556 1.00 0.00 O ATOM 0 H GLY B 208 99.123 -10.929 6.414 1.00 0.00 H new ATOM 0 HA2 GLY B 208 101.296 -11.183 6.969 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.791 -11.970 8.451 1.00 0.00 H new ATOM 1387 N VAL B 209 101.373 -13.348 5.506 1.00 0.00 N ATOM 1388 CA VAL B 209 101.831 -14.555 4.833 1.00 0.00 C ATOM 1389 C VAL B 209 102.986 -14.205 3.900 1.00 0.00 C ATOM 1390 O VAL B 209 102.938 -13.196 3.191 1.00 0.00 O ATOM 1391 CB VAL B 209 100.658 -15.203 4.060 1.00 0.00 C ATOM 1392 CG1 VAL B 209 101.155 -16.351 3.164 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.649 -15.765 5.063 1.00 0.00 C ATOM 0 H VAL B 209 101.257 -12.543 4.891 1.00 0.00 H new ATOM 0 HA VAL B 209 102.188 -15.278 5.567 1.00 0.00 H new ATOM 0 HB VAL B 209 100.196 -14.442 3.432 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.311 -16.789 2.632 1.00 0.00 H new ATOM 0 HG12 VAL B 209 101.876 -15.964 2.444 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.631 -17.114 3.780 1.00 0.00 H new ATOM 0 HG21 VAL B 209 98.819 -16.224 4.526 1.00 0.00 H new ATOM 0 HG22 VAL B 209 100.135 -16.514 5.687 1.00 0.00 H new ATOM 0 HG23 VAL B 209 99.273 -14.958 5.692 1.00 0.00 H new ATOM 1403 N ASN B 210 104.008 -15.061 3.900 1.00 0.00 N ATOM 1404 CA ASN B 210 105.162 -14.857 3.037 1.00 0.00 C ATOM 1405 C ASN B 210 104.735 -15.056 1.598 1.00 0.00 C ATOM 1406 O ASN B 210 104.211 -16.115 1.241 1.00 0.00 O ATOM 1407 CB ASN B 210 106.263 -15.848 3.395 1.00 0.00 C ATOM 1408 CG ASN B 210 107.065 -15.329 4.578 1.00 0.00 C ATOM 1409 OD1 ASN B 210 107.192 -16.013 5.593 1.00 0.00 O ATOM 1410 ND2 ASN B 210 107.620 -14.151 4.507 1.00 0.00 N ATOM 0 H ASN B 210 104.057 -15.895 4.485 1.00 0.00 H new ATOM 0 HA ASN B 210 105.548 -13.847 3.171 1.00 0.00 H new ATOM 0 HB2 ASN B 210 105.827 -16.817 3.638 1.00 0.00 H new ATOM 0 HB3 ASN B 210 106.920 -16.000 2.538 1.00 0.00 H new ATOM 0 HD21 ASN B 210 108.161 -13.794 5.294 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.513 -13.587 3.664 1.00 0.00 H new ATOM 1417 N ILE B 211 104.940 -14.025 0.780 1.00 0.00 N ATOM 1418 CA ILE B 211 104.544 -14.091 -0.626 1.00 0.00 C ATOM 1419 C ILE B 211 105.479 -13.234 -1.501 1.00 0.00 C ATOM 1420 O ILE B 211 105.848 -12.128 -1.096 1.00 0.00 O ATOM 1421 CB ILE B 211 103.087 -13.602 -0.816 1.00 0.00 C ATOM 1422 CG1 ILE B 211 102.126 -14.380 0.113 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.651 -13.821 -2.277 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.743 -13.723 0.134 1.00 0.00 C ATOM 0 H ILE B 211 105.372 -13.145 1.061 1.00 0.00 H new ATOM 0 HA ILE B 211 104.616 -15.134 -0.934 1.00 0.00 H new ATOM 0 HB ILE B 211 103.047 -12.541 -0.568 1.00 0.00 H new ATOM 0 HG12 ILE B 211 102.039 -15.412 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.535 -14.411 1.123 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.625 -13.476 -2.406 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.309 -13.260 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.710 -14.882 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE B 211 100.083 -14.286 0.793 1.00 0.00 H new ATOM 0 HD12 ILE B 211 100.832 -12.699 0.498 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.329 -13.715 -0.874 1.00 0.00 H new ATOM 1436 N PRO B 212 105.846 -13.689 -2.704 1.00 0.00 N ATOM 1437 CA PRO B 212 106.719 -12.890 -3.617 1.00 0.00 C ATOM 1438 C PRO B 212 106.099 -11.526 -3.905 1.00 0.00 C ATOM 1439 O PRO B 212 104.878 -11.368 -3.838 1.00 0.00 O ATOM 1440 CB PRO B 212 106.815 -13.736 -4.895 1.00 0.00 C ATOM 1441 CG PRO B 212 106.458 -15.125 -4.488 1.00 0.00 C ATOM 1442 CD PRO B 212 105.494 -14.996 -3.318 1.00 0.00 C ATOM 0 HA PRO B 212 107.699 -12.688 -3.184 1.00 0.00 H new ATOM 0 HB2 PRO B 212 106.134 -13.366 -5.662 1.00 0.00 H new ATOM 0 HB3 PRO B 212 107.820 -13.697 -5.315 1.00 0.00 H new ATOM 0 HG2 PRO B 212 105.996 -15.665 -5.314 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.347 -15.685 -4.199 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.457 -15.014 -3.652 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.615 -15.815 -2.609 1.00 0.00 H new ATOM 1450 N GLU B 213 106.948 -10.550 -4.223 1.00 0.00 N ATOM 1451 CA GLU B 213 106.475 -9.195 -4.524 1.00 0.00 C ATOM 1452 C GLU B 213 105.575 -9.186 -5.774 1.00 0.00 C ATOM 1453 O GLU B 213 104.847 -8.218 -6.005 1.00 0.00 O ATOM 1454 CB GLU B 213 107.668 -8.255 -4.731 1.00 0.00 C ATOM 1455 CG GLU B 213 107.176 -6.798 -4.809 1.00 0.00 C ATOM 1456 CD GLU B 213 108.351 -5.815 -4.928 1.00 0.00 C ATOM 1457 OE1 GLU B 213 109.474 -6.195 -4.627 1.00 0.00 O ATOM 1458 OE2 GLU B 213 108.101 -4.688 -5.320 1.00 0.00 O ATOM 0 H GLU B 213 107.960 -10.668 -4.279 1.00 0.00 H new ATOM 0 HA GLU B 213 105.885 -8.846 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.377 -8.366 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU B 213 108.197 -8.520 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU B 213 106.514 -6.681 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU B 213 106.591 -6.562 -3.920 1.00 0.00 H new ATOM 1465 N SER B 214 105.633 -10.259 -6.572 1.00 0.00 N ATOM 1466 CA SER B 214 104.829 -10.363 -7.783 1.00 0.00 C ATOM 1467 C SER B 214 103.447 -10.940 -7.481 1.00 0.00 C ATOM 1468 O SER B 214 102.439 -10.464 -8.008 1.00 0.00 O ATOM 1469 CB SER B 214 105.543 -11.259 -8.789 1.00 0.00 C ATOM 1470 OG SER B 214 105.774 -12.530 -8.195 1.00 0.00 O ATOM 0 H SER B 214 106.231 -11.066 -6.395 1.00 0.00 H new ATOM 0 HA SER B 214 104.700 -9.362 -8.196 1.00 0.00 H new ATOM 0 HB2 SER B 214 104.940 -11.369 -9.690 1.00 0.00 H new ATOM 0 HB3 SER B 214 106.488 -10.807 -9.091 1.00 0.00 H new ATOM 0 HG SER B 214 106.231 -13.113 -8.837 1.00 0.00 H new ATOM 1476 N HIS B 215 103.418 -11.967 -6.632 1.00 0.00 N ATOM 1477 CA HIS B 215 102.157 -12.622 -6.254 1.00 0.00 C ATOM 1478 C HIS B 215 101.348 -11.792 -5.251 1.00 0.00 C ATOM 1479 O HIS B 215 100.231 -12.172 -4.896 1.00 0.00 O ATOM 1480 CB HIS B 215 102.450 -13.991 -5.636 1.00 0.00 C ATOM 1481 CG HIS B 215 102.827 -14.972 -6.711 1.00 0.00 C ATOM 1482 ND1 HIS B 215 104.081 -14.985 -7.300 1.00 0.00 N ATOM 1483 CD2 HIS B 215 102.116 -15.975 -7.319 1.00 0.00 C ATOM 1484 CE1 HIS B 215 104.087 -15.967 -8.219 1.00 0.00 C ATOM 1485 NE2 HIS B 215 102.912 -16.603 -8.271 1.00 0.00 N ATOM 0 H HIS B 215 104.248 -12.365 -6.192 1.00 0.00 H new ATOM 0 HA HIS B 215 101.565 -12.727 -7.163 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.259 -13.906 -4.910 1.00 0.00 H new ATOM 0 HB3 HIS B 215 101.574 -14.350 -5.096 1.00 0.00 H new ATOM 0 HD1 HIS B 215 104.858 -14.363 -7.077 1.00 0.00 H new ATOM 0 HD2 HIS B 215 101.093 -16.237 -7.093 1.00 0.00 H new ATOM 0 HE1 HIS B 215 104.937 -16.212 -8.839 1.00 0.00 H new ATOM 1493 N ILE B 216 101.916 -10.675 -4.790 1.00 0.00 N ATOM 1494 CA ILE B 216 101.240 -9.819 -3.826 1.00 0.00 C ATOM 1495 C ILE B 216 99.977 -9.193 -4.427 1.00 0.00 C ATOM 1496 O ILE B 216 98.962 -9.054 -3.738 1.00 0.00 O ATOM 1497 CB ILE B 216 102.212 -8.723 -3.332 1.00 0.00 C ATOM 1498 CG1 ILE B 216 101.583 -7.962 -2.152 1.00 0.00 C ATOM 1499 CG2 ILE B 216 102.547 -7.734 -4.467 1.00 0.00 C ATOM 1500 CD1 ILE B 216 101.541 -8.857 -0.905 1.00 0.00 C ATOM 0 H ILE B 216 102.840 -10.347 -5.071 1.00 0.00 H new ATOM 0 HA ILE B 216 100.930 -10.430 -2.978 1.00 0.00 H new ATOM 0 HB ILE B 216 103.135 -9.203 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE B 216 102.159 -7.061 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE B 216 100.574 -7.642 -2.413 1.00 0.00 H new ATOM 0 HG21 ILE B 216 103.232 -6.972 -4.095 1.00 0.00 H new ATOM 0 HG22 ILE B 216 103.015 -8.272 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE B 216 101.631 -7.258 -4.817 1.00 0.00 H new ATOM 0 HD11 ILE B 216 101.094 -8.307 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE B 216 100.945 -9.745 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE B 216 102.555 -9.155 -0.637 1.00 0.00 H new ATOM 1512 N ASN B 217 100.060 -8.798 -5.699 1.00 0.00 N ATOM 1513 CA ASN B 217 98.929 -8.168 -6.373 1.00 0.00 C ATOM 1514 C ASN B 217 97.745 -9.128 -6.440 1.00 0.00 C ATOM 1515 O ASN B 217 96.616 -8.753 -6.112 1.00 0.00 O ATOM 1516 CB ASN B 217 99.335 -7.752 -7.790 1.00 0.00 C ATOM 1517 CG ASN B 217 100.188 -6.482 -7.747 1.00 0.00 C ATOM 1518 OD1 ASN B 217 99.991 -5.625 -6.886 1.00 0.00 O ATOM 1519 ND2 ASN B 217 101.133 -6.315 -8.633 1.00 0.00 N ATOM 0 H ASN B 217 100.893 -8.903 -6.278 1.00 0.00 H new ATOM 0 HA ASN B 217 98.634 -7.285 -5.806 1.00 0.00 H new ATOM 0 HB2 ASN B 217 99.894 -8.557 -8.267 1.00 0.00 H new ATOM 0 HB3 ASN B 217 98.445 -7.580 -8.395 1.00 0.00 H new ATOM 0 HD21 ASN B 217 101.709 -5.473 -8.612 1.00 0.00 H new ATOM 0 HD22 ASN B 217 101.295 -7.026 -9.346 1.00 0.00 H new ATOM 1526 N LYS B 218 98.022 -10.370 -6.843 1.00 0.00 N ATOM 1527 CA LYS B 218 96.981 -11.394 -6.925 1.00 0.00 C ATOM 1528 C LYS B 218 96.501 -11.764 -5.528 1.00 0.00 C ATOM 1529 O LYS B 218 95.299 -11.905 -5.293 1.00 0.00 O ATOM 1530 CB LYS B 218 97.503 -12.640 -7.638 1.00 0.00 C ATOM 1531 CG LYS B 218 97.757 -12.313 -9.108 1.00 0.00 C ATOM 1532 CD LYS B 218 98.268 -13.561 -9.827 1.00 0.00 C ATOM 1533 CE LYS B 218 98.528 -13.232 -11.298 1.00 0.00 C ATOM 1534 NZ LYS B 218 99.033 -14.449 -11.995 1.00 0.00 N ATOM 0 H LYS B 218 98.952 -10.688 -7.116 1.00 0.00 H new ATOM 0 HA LYS B 218 96.147 -10.989 -7.498 1.00 0.00 H new ATOM 0 HB2 LYS B 218 98.423 -12.984 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS B 218 96.779 -13.451 -7.554 1.00 0.00 H new ATOM 0 HG2 LYS B 218 96.838 -11.961 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS B 218 98.487 -11.508 -9.192 1.00 0.00 H new ATOM 0 HD2 LYS B 218 99.184 -13.916 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS B 218 97.536 -14.365 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS B 218 97.611 -12.882 -11.772 1.00 0.00 H new ATOM 0 HE3 LYS B 218 99.256 -12.425 -11.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 99.210 -14.228 -12.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 99.918 -14.763 -11.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 98.324 -15.207 -11.929 1.00 0.00 H new ATOM 1548 N HIS B 219 97.458 -11.923 -4.608 1.00 0.00 N ATOM 1549 CA HIS B 219 97.133 -12.284 -3.233 1.00 0.00 C ATOM 1550 C HIS B 219 96.210 -11.245 -2.601 1.00 0.00 C ATOM 1551 O HIS B 219 95.309 -11.613 -1.852 1.00 0.00 O ATOM 1552 CB HIS B 219 98.408 -12.443 -2.387 1.00 0.00 C ATOM 1553 CG HIS B 219 98.014 -12.733 -0.959 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.498 -13.954 -0.560 1.00 0.00 N ATOM 1555 CD2 HIS B 219 97.996 -11.936 0.154 1.00 0.00 C ATOM 1556 CE1 HIS B 219 97.190 -13.855 0.746 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.476 -12.647 1.231 1.00 0.00 N ATOM 0 H HIS B 219 98.455 -11.808 -4.792 1.00 0.00 H new ATOM 0 HA HIS B 219 96.614 -13.242 -3.257 1.00 0.00 H new ATOM 0 HB2 HIS B 219 99.023 -13.253 -2.780 1.00 0.00 H new ATOM 0 HB3 HIS B 219 99.008 -11.534 -2.435 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.374 -14.778 -1.148 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.334 -10.911 0.190 1.00 0.00 H new ATOM 0 HE1 HIS B 219 96.763 -14.657 1.330 1.00 0.00 H new ATOM 1564 N LEU B 220 96.448 -9.965 -2.878 1.00 0.00 N ATOM 1565 CA LEU B 220 95.625 -8.909 -2.295 1.00 0.00 C ATOM 1566 C LEU B 220 94.167 -9.097 -2.697 1.00 0.00 C ATOM 1567 O LEU B 220 93.263 -8.899 -1.879 1.00 0.00 O ATOM 1568 CB LEU B 220 96.124 -7.535 -2.752 1.00 0.00 C ATOM 1569 CG LEU B 220 97.367 -7.134 -1.941 1.00 0.00 C ATOM 1570 CD1 LEU B 220 98.066 -5.959 -2.629 1.00 0.00 C ATOM 1571 CD2 LEU B 220 96.945 -6.711 -0.525 1.00 0.00 C ATOM 0 H LEU B 220 97.193 -9.637 -3.493 1.00 0.00 H new ATOM 0 HA LEU B 220 95.701 -8.966 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.365 -7.561 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.338 -6.791 -2.621 1.00 0.00 H new ATOM 0 HG LEU B 220 98.047 -7.983 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU B 220 98.948 -5.673 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.367 -6.253 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.382 -5.113 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU B 220 97.828 -6.427 0.048 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.264 -5.862 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.444 -7.543 -0.031 1.00 0.00 H new ATOM 1583 N ASP B 221 93.950 -9.496 -3.947 1.00 0.00 N ATOM 1584 CA ASP B 221 92.600 -9.733 -4.452 1.00 0.00 C ATOM 1585 C ASP B 221 91.931 -10.888 -3.696 1.00 0.00 C ATOM 1586 O ASP B 221 90.719 -10.866 -3.473 1.00 0.00 O ATOM 1587 CB ASP B 221 92.660 -10.060 -5.944 1.00 0.00 C ATOM 1588 CG ASP B 221 91.264 -9.991 -6.550 1.00 0.00 C ATOM 1589 OD1 ASP B 221 90.773 -11.023 -6.977 1.00 0.00 O ATOM 1590 OD2 ASP B 221 90.706 -8.907 -6.581 1.00 0.00 O ATOM 0 H ASP B 221 94.690 -9.662 -4.629 1.00 0.00 H new ATOM 0 HA ASP B 221 92.009 -8.831 -4.298 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.321 -9.358 -6.452 1.00 0.00 H new ATOM 0 HB3 ASP B 221 93.080 -11.055 -6.090 1.00 0.00 H new ATOM 1595 N SER B 222 92.731 -11.887 -3.307 1.00 0.00 N ATOM 1596 CA SER B 222 92.219 -13.050 -2.574 1.00 0.00 C ATOM 1597 C SER B 222 91.983 -12.720 -1.097 1.00 0.00 C ATOM 1598 O SER B 222 90.920 -13.015 -0.547 1.00 0.00 O ATOM 1599 CB SER B 222 93.216 -14.205 -2.682 1.00 0.00 C ATOM 1600 OG SER B 222 92.680 -15.350 -2.031 1.00 0.00 O ATOM 0 H SER B 222 93.735 -11.913 -3.487 1.00 0.00 H new ATOM 0 HA SER B 222 91.265 -13.335 -3.018 1.00 0.00 H new ATOM 0 HB2 SER B 222 93.418 -14.429 -3.729 1.00 0.00 H new ATOM 0 HB3 SER B 222 94.166 -13.925 -2.227 1.00 0.00 H new ATOM 0 HG SER B 222 93.316 -16.093 -2.100 1.00 0.00 H new ATOM 1606 N CYS B 223 92.995 -12.116 -0.471 1.00 0.00 N ATOM 1607 CA CYS B 223 92.935 -11.742 0.941 1.00 0.00 C ATOM 1608 C CYS B 223 91.805 -10.746 1.189 1.00 0.00 C ATOM 1609 O CYS B 223 91.045 -10.879 2.151 1.00 0.00 O ATOM 1610 CB CYS B 223 94.279 -11.125 1.365 1.00 0.00 C ATOM 1611 SG CYS B 223 94.669 -11.597 3.071 1.00 0.00 S ATOM 0 H CYS B 223 93.875 -11.874 -0.927 1.00 0.00 H new ATOM 0 HA CYS B 223 92.739 -12.636 1.533 1.00 0.00 H new ATOM 0 HB2 CYS B 223 95.070 -11.463 0.696 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.232 -10.039 1.281 1.00 0.00 H new ATOM 1616 N LEU B 224 91.709 -9.752 0.306 1.00 0.00 N ATOM 1617 CA LEU B 224 90.676 -8.725 0.413 1.00 0.00 C ATOM 1618 C LEU B 224 89.286 -9.335 0.254 1.00 0.00 C ATOM 1619 O LEU B 224 88.345 -8.940 0.950 1.00 0.00 O ATOM 1620 CB LEU B 224 90.913 -7.645 -0.649 1.00 0.00 C ATOM 1621 CG LEU B 224 92.163 -6.828 -0.287 1.00 0.00 C ATOM 1622 CD1 LEU B 224 92.609 -6.009 -1.499 1.00 0.00 C ATOM 1623 CD2 LEU B 224 91.842 -5.875 0.872 1.00 0.00 C ATOM 0 H LEU B 224 92.335 -9.637 -0.491 1.00 0.00 H new ATOM 0 HA LEU B 224 90.732 -8.272 1.403 1.00 0.00 H new ATOM 0 HB2 LEU B 224 91.039 -8.106 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU B 224 90.045 -6.989 -0.715 1.00 0.00 H new ATOM 0 HG LEU B 224 92.960 -7.509 0.010 1.00 0.00 H new ATOM 0 HD11 LEU B 224 93.496 -5.430 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU B 224 92.842 -6.680 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU B 224 91.808 -5.332 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU B 224 92.731 -5.298 1.125 1.00 0.00 H new ATOM 0 HD22 LEU B 224 91.042 -5.197 0.575 1.00 0.00 H new ATOM 0 HD23 LEU B 224 91.525 -6.452 1.740 1.00 0.00 H new ATOM 1635 N SER B 225 89.168 -10.301 -0.661 1.00 0.00 N ATOM 1636 CA SER B 225 87.891 -10.971 -0.908 1.00 0.00 C ATOM 1637 C SER B 225 87.359 -11.605 0.376 1.00 0.00 C ATOM 1638 O SER B 225 86.149 -11.617 0.606 1.00 0.00 O ATOM 1639 CB SER B 225 88.061 -12.056 -1.972 1.00 0.00 C ATOM 1640 OG SER B 225 86.792 -12.362 -2.533 1.00 0.00 O ATOM 0 H SER B 225 89.938 -10.635 -1.240 1.00 0.00 H new ATOM 0 HA SER B 225 87.179 -10.224 -1.259 1.00 0.00 H new ATOM 0 HB2 SER B 225 88.744 -11.715 -2.750 1.00 0.00 H new ATOM 0 HB3 SER B 225 88.502 -12.950 -1.530 1.00 0.00 H new ATOM 0 HG SER B 225 86.896 -13.056 -3.217 1.00 0.00 H new ATOM 1646 N ARG B 226 88.272 -12.121 1.209 1.00 0.00 N ATOM 1647 CA ARG B 226 87.885 -12.744 2.475 1.00 0.00 C ATOM 1648 C ARG B 226 87.182 -11.719 3.368 1.00 0.00 C ATOM 1649 O ARG B 226 86.155 -12.012 3.982 1.00 0.00 O ATOM 1650 CB ARG B 226 89.134 -13.282 3.190 1.00 0.00 C ATOM 1651 CG ARG B 226 88.725 -14.022 4.470 1.00 0.00 C ATOM 1652 CD ARG B 226 89.967 -14.543 5.187 1.00 0.00 C ATOM 1653 NE ARG B 226 89.575 -15.222 6.429 1.00 0.00 N ATOM 1654 CZ ARG B 226 89.230 -16.522 6.474 1.00 0.00 C ATOM 1655 NH1 ARG B 226 89.223 -17.272 5.396 1.00 0.00 N ATOM 1656 NH2 ARG B 226 88.886 -17.049 7.616 1.00 0.00 N ATOM 0 H ARG B 226 89.276 -12.118 1.028 1.00 0.00 H new ATOM 0 HA ARG B 226 87.201 -13.568 2.272 1.00 0.00 H new ATOM 0 HB2 ARG B 226 89.680 -13.955 2.529 1.00 0.00 H new ATOM 0 HB3 ARG B 226 89.806 -12.460 3.434 1.00 0.00 H new ATOM 0 HG2 ARG B 226 88.170 -13.352 5.126 1.00 0.00 H new ATOM 0 HG3 ARG B 226 88.061 -14.851 4.225 1.00 0.00 H new ATOM 0 HD2 ARG B 226 90.509 -15.233 4.540 1.00 0.00 H new ATOM 0 HD3 ARG B 226 90.643 -13.717 5.410 1.00 0.00 H new ATOM 0 HE ARG B 226 89.564 -14.684 7.296 1.00 0.00 H new ATOM 0 HH11 ARG B 226 89.484 -16.872 4.495 1.00 0.00 H new ATOM 0 HH12 ARG B 226 88.957 -18.255 5.460 1.00 0.00 H new ATOM 0 HH21 ARG B 226 88.881 -16.477 8.461 1.00 0.00 H new ATOM 0 HH22 ARG B 226 88.622 -18.033 7.665 1.00 0.00 H new ATOM 1670 N GLU B 227 87.758 -10.522 3.431 1.00 0.00 N ATOM 1671 CA GLU B 227 87.203 -9.449 4.250 1.00 0.00 C ATOM 1672 C GLU B 227 85.752 -9.168 3.861 1.00 0.00 C ATOM 1673 O GLU B 227 84.928 -8.834 4.716 1.00 0.00 O ATOM 1674 CB GLU B 227 88.040 -8.185 4.074 1.00 0.00 C ATOM 1675 CG GLU B 227 89.443 -8.415 4.644 1.00 0.00 C ATOM 1676 CD GLU B 227 89.394 -8.572 6.163 1.00 0.00 C ATOM 1677 OE1 GLU B 227 90.156 -9.372 6.674 1.00 0.00 O ATOM 1678 OE2 GLU B 227 88.604 -7.883 6.792 1.00 0.00 O ATOM 0 H GLU B 227 88.608 -10.271 2.926 1.00 0.00 H new ATOM 0 HA GLU B 227 87.226 -9.760 5.295 1.00 0.00 H new ATOM 0 HB2 GLU B 227 88.104 -7.923 3.018 1.00 0.00 H new ATOM 0 HB3 GLU B 227 87.563 -7.347 4.582 1.00 0.00 H new ATOM 0 HG2 GLU B 227 89.880 -9.307 4.196 1.00 0.00 H new ATOM 0 HG3 GLU B 227 90.089 -7.577 4.381 1.00 0.00 H new ATOM 1685 N GLU B 228 85.447 -9.318 2.569 1.00 0.00 N ATOM 1686 CA GLU B 228 84.090 -9.096 2.071 1.00 0.00 C ATOM 1687 C GLU B 228 83.157 -10.260 2.440 1.00 0.00 C ATOM 1688 O GLU B 228 81.934 -10.117 2.387 1.00 0.00 O ATOM 1689 CB GLU B 228 84.109 -8.935 0.551 1.00 0.00 C ATOM 1690 CG GLU B 228 84.847 -7.642 0.171 1.00 0.00 C ATOM 1691 CD GLU B 228 84.924 -7.469 -1.356 1.00 0.00 C ATOM 1692 OE1 GLU B 228 84.450 -8.339 -2.080 1.00 0.00 O ATOM 1693 OE2 GLU B 228 85.457 -6.460 -1.784 1.00 0.00 O ATOM 0 H GLU B 228 86.120 -9.591 1.853 1.00 0.00 H new ATOM 0 HA GLU B 228 83.713 -8.187 2.539 1.00 0.00 H new ATOM 0 HB2 GLU B 228 84.600 -9.793 0.092 1.00 0.00 H new ATOM 0 HB3 GLU B 228 83.089 -8.908 0.167 1.00 0.00 H new ATOM 0 HG2 GLU B 228 84.335 -6.786 0.611 1.00 0.00 H new ATOM 0 HG3 GLU B 228 85.854 -7.660 0.588 1.00 0.00 H new ATOM 1700 N LYS B 229 83.740 -11.405 2.828 1.00 0.00 N ATOM 1701 CA LYS B 229 82.956 -12.576 3.219 1.00 0.00 C ATOM 1702 C LYS B 229 82.447 -12.437 4.654 1.00 0.00 C ATOM 1703 O LYS B 229 81.332 -12.864 4.966 1.00 0.00 O ATOM 1704 CB LYS B 229 83.800 -13.846 3.092 1.00 0.00 C ATOM 1705 CG LYS B 229 84.115 -14.096 1.617 1.00 0.00 C ATOM 1706 CD LYS B 229 84.974 -15.354 1.482 1.00 0.00 C ATOM 1707 CE LYS B 229 85.264 -15.614 0.004 1.00 0.00 C ATOM 1708 NZ LYS B 229 86.102 -16.839 -0.128 1.00 0.00 N ATOM 0 H LYS B 229 84.750 -11.540 2.878 1.00 0.00 H new ATOM 0 HA LYS B 229 82.098 -12.646 2.550 1.00 0.00 H new ATOM 0 HB2 LYS B 229 84.724 -13.741 3.661 1.00 0.00 H new ATOM 0 HB3 LYS B 229 83.263 -14.697 3.511 1.00 0.00 H new ATOM 0 HG2 LYS B 229 83.190 -14.213 1.052 1.00 0.00 H new ATOM 0 HG3 LYS B 229 84.640 -13.238 1.196 1.00 0.00 H new ATOM 0 HD2 LYS B 229 85.908 -15.231 2.031 1.00 0.00 H new ATOM 0 HD3 LYS B 229 84.458 -16.209 1.919 1.00 0.00 H new ATOM 0 HE2 LYS B 229 84.330 -15.738 -0.545 1.00 0.00 H new ATOM 0 HE3 LYS B 229 85.779 -14.759 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 86.300 -17.017 -1.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 86.998 -16.704 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 85.594 -17.652 0.274 1.00 0.00 H new ATOM 1722 N LYS B 230 83.279 -11.849 5.519 1.00 0.00 N ATOM 1723 CA LYS B 230 82.922 -11.670 6.924 1.00 0.00 C ATOM 1724 C LYS B 230 81.672 -10.801 7.063 1.00 0.00 C ATOM 1725 O LYS B 230 80.774 -11.123 7.849 1.00 0.00 O ATOM 1726 CB LYS B 230 84.089 -11.019 7.686 1.00 0.00 C ATOM 1727 CG LYS B 230 83.771 -10.976 9.186 1.00 0.00 C ATOM 1728 CD LYS B 230 84.957 -10.396 9.951 1.00 0.00 C ATOM 1729 CE LYS B 230 84.640 -10.396 11.447 1.00 0.00 C ATOM 1730 NZ LYS B 230 83.529 -9.440 11.721 1.00 0.00 N ATOM 0 H LYS B 230 84.201 -11.491 5.269 1.00 0.00 H new ATOM 0 HA LYS B 230 82.713 -12.652 7.348 1.00 0.00 H new ATOM 0 HB2 LYS B 230 85.006 -11.583 7.515 1.00 0.00 H new ATOM 0 HB3 LYS B 230 84.261 -10.010 7.312 1.00 0.00 H new ATOM 0 HG2 LYS B 230 82.882 -10.370 9.361 1.00 0.00 H new ATOM 0 HG3 LYS B 230 83.549 -11.980 9.549 1.00 0.00 H new ATOM 0 HD2 LYS B 230 85.853 -10.985 9.757 1.00 0.00 H new ATOM 0 HD3 LYS B 230 85.163 -9.381 9.611 1.00 0.00 H new ATOM 0 HE2 LYS B 230 84.359 -11.398 11.770 1.00 0.00 H new ATOM 0 HE3 LYS B 230 85.525 -10.114 12.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 83.524 -9.194 12.732 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 83.666 -8.578 11.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 82.622 -9.880 11.467 1.00 0.00 H new ATOM 1744 N GLU B 231 81.626 -9.703 6.309 1.00 0.00 N ATOM 1745 CA GLU B 231 80.483 -8.787 6.361 1.00 0.00 C ATOM 1746 C GLU B 231 79.173 -9.547 6.134 1.00 0.00 C ATOM 1747 O GLU B 231 78.344 -9.649 7.042 1.00 0.00 O ATOM 1748 CB GLU B 231 80.647 -7.681 5.291 1.00 0.00 C ATOM 1749 CG GLU B 231 81.141 -6.378 5.928 1.00 0.00 C ATOM 1750 CD GLU B 231 82.581 -6.540 6.400 1.00 0.00 C ATOM 1751 OE1 GLU B 231 82.870 -6.111 7.502 1.00 0.00 O ATOM 1752 OE2 GLU B 231 83.375 -7.088 5.652 1.00 0.00 O ATOM 0 H GLU B 231 82.361 -9.426 5.658 1.00 0.00 H new ATOM 0 HA GLU B 231 80.449 -8.328 7.349 1.00 0.00 H new ATOM 0 HB2 GLU B 231 81.353 -8.009 4.528 1.00 0.00 H new ATOM 0 HB3 GLU B 231 79.694 -7.508 4.791 1.00 0.00 H new ATOM 0 HG2 GLU B 231 81.076 -5.564 5.206 1.00 0.00 H new ATOM 0 HG3 GLU B 231 80.502 -6.110 6.769 1.00 0.00 H new ATOM 1759 N SER B 232 78.994 -10.067 4.916 1.00 0.00 N ATOM 1760 CA SER B 232 77.788 -10.802 4.572 1.00 0.00 C ATOM 1761 C SER B 232 78.143 -12.155 3.974 1.00 0.00 C ATOM 1762 O SER B 232 78.809 -12.231 2.939 1.00 0.00 O ATOM 1763 CB SER B 232 76.970 -9.992 3.566 1.00 0.00 C ATOM 1764 OG SER B 232 75.756 -10.677 3.287 1.00 0.00 O ATOM 0 H SER B 232 79.672 -9.989 4.158 1.00 0.00 H new ATOM 0 HA SER B 232 77.202 -10.964 5.476 1.00 0.00 H new ATOM 0 HB2 SER B 232 76.758 -9.001 3.967 1.00 0.00 H new ATOM 0 HB3 SER B 232 77.540 -9.849 2.648 1.00 0.00 H new ATOM 0 HG SER B 232 75.229 -10.159 2.644 1.00 0.00 H new ATOM 1770 N LEU B 233 77.689 -13.216 4.639 1.00 0.00 N ATOM 1771 CA LEU B 233 77.946 -14.580 4.181 1.00 0.00 C ATOM 1772 C LEU B 233 77.100 -14.881 2.952 1.00 0.00 C ATOM 1773 O LEU B 233 76.009 -14.327 2.798 1.00 0.00 O ATOM 1774 CB LEU B 233 77.621 -15.583 5.295 1.00 0.00 C ATOM 1775 CG LEU B 233 78.622 -15.432 6.447 1.00 0.00 C ATOM 1776 CD1 LEU B 233 78.101 -16.186 7.674 1.00 0.00 C ATOM 1777 CD2 LEU B 233 79.981 -16.018 6.040 1.00 0.00 C ATOM 0 H LEU B 233 77.141 -13.157 5.497 1.00 0.00 H new ATOM 0 HA LEU B 233 79.001 -14.671 3.921 1.00 0.00 H new ATOM 0 HB2 LEU B 233 76.607 -15.418 5.660 1.00 0.00 H new ATOM 0 HB3 LEU B 233 77.657 -16.599 4.902 1.00 0.00 H new ATOM 0 HG LEU B 233 78.739 -14.374 6.681 1.00 0.00 H new ATOM 0 HD11 LEU B 233 78.811 -16.080 8.494 1.00 0.00 H new ATOM 0 HD12 LEU B 233 77.137 -15.773 7.972 1.00 0.00 H new ATOM 0 HD13 LEU B 233 77.984 -17.242 7.430 1.00 0.00 H new ATOM 0 HD21 LEU B 233 80.686 -15.907 6.863 1.00 0.00 H new ATOM 0 HD22 LEU B 233 79.865 -17.075 5.802 1.00 0.00 H new ATOM 0 HD23 LEU B 233 80.358 -15.488 5.165 1.00 0.00 H new ATOM 1789 N ARG B 234 77.619 -15.746 2.076 1.00 0.00 N ATOM 1790 CA ARG B 234 76.908 -16.105 0.852 1.00 0.00 C ATOM 1791 C ARG B 234 75.618 -16.864 1.189 1.00 0.00 C ATOM 1792 O ARG B 234 75.580 -18.102 1.169 1.00 0.00 O ATOM 1793 CB ARG B 234 77.811 -16.964 -0.043 1.00 0.00 C ATOM 1794 CG ARG B 234 77.132 -17.184 -1.400 1.00 0.00 C ATOM 1795 CD ARG B 234 77.956 -18.167 -2.229 1.00 0.00 C ATOM 1796 NE ARG B 234 79.257 -17.578 -2.572 1.00 0.00 N ATOM 1797 CZ ARG B 234 79.405 -16.645 -3.531 1.00 0.00 C ATOM 1798 NH1 ARG B 234 78.382 -16.205 -4.227 1.00 0.00 N ATOM 1799 NH2 ARG B 234 80.595 -16.167 -3.774 1.00 0.00 N ATOM 0 H ARG B 234 78.522 -16.206 2.192 1.00 0.00 H new ATOM 0 HA ARG B 234 76.643 -15.193 0.317 1.00 0.00 H new ATOM 0 HB2 ARG B 234 78.774 -16.473 -0.182 1.00 0.00 H new ATOM 0 HB3 ARG B 234 78.008 -17.923 0.436 1.00 0.00 H new ATOM 0 HG2 ARG B 234 76.123 -17.570 -1.255 1.00 0.00 H new ATOM 0 HG3 ARG B 234 77.037 -16.236 -1.929 1.00 0.00 H new ATOM 0 HD2 ARG B 234 78.103 -19.091 -1.670 1.00 0.00 H new ATOM 0 HD3 ARG B 234 77.416 -18.428 -3.139 1.00 0.00 H new ATOM 0 HE ARG B 234 80.084 -17.889 -2.062 1.00 0.00 H new ATOM 0 HH11 ARG B 234 77.447 -16.571 -4.046 1.00 0.00 H new ATOM 0 HH12 ARG B 234 78.522 -15.497 -4.948 1.00 0.00 H new ATOM 0 HH21 ARG B 234 81.397 -16.501 -3.240 1.00 0.00 H new ATOM 0 HH22 ARG B 234 80.722 -15.460 -4.498 1.00 0.00 H new ATOM 1813 N SER B 235 74.565 -16.111 1.493 1.00 0.00 N ATOM 1814 CA SER B 235 73.272 -16.705 1.821 1.00 0.00 C ATOM 1815 C SER B 235 72.745 -17.504 0.632 1.00 0.00 C ATOM 1816 O SER B 235 72.170 -18.579 0.805 1.00 0.00 O ATOM 1817 CB SER B 235 72.274 -15.613 2.194 1.00 0.00 C ATOM 1818 OG SER B 235 72.792 -14.855 3.278 1.00 0.00 O ATOM 0 H SER B 235 74.581 -15.091 1.519 1.00 0.00 H new ATOM 0 HA SER B 235 73.400 -17.376 2.671 1.00 0.00 H new ATOM 0 HB2 SER B 235 72.089 -14.965 1.337 1.00 0.00 H new ATOM 0 HB3 SER B 235 71.318 -16.057 2.470 1.00 0.00 H new ATOM 0 HG SER B 235 72.154 -14.151 3.519 1.00 0.00 H new ATOM 1824 N SER B 236 72.950 -16.962 -0.572 1.00 0.00 N ATOM 1825 CA SER B 236 72.498 -17.616 -1.794 1.00 0.00 C ATOM 1826 C SER B 236 73.429 -17.279 -2.955 1.00 0.00 C ATOM 1827 O SER B 236 74.269 -16.381 -2.849 1.00 0.00 O ATOM 1828 CB SER B 236 71.077 -17.163 -2.131 1.00 0.00 C ATOM 1829 OG SER B 236 71.036 -15.742 -2.185 1.00 0.00 O ATOM 0 H SER B 236 73.426 -16.073 -0.722 1.00 0.00 H new ATOM 0 HA SER B 236 72.508 -18.694 -1.634 1.00 0.00 H new ATOM 0 HB2 SER B 236 70.766 -17.584 -3.087 1.00 0.00 H new ATOM 0 HB3 SER B 236 70.378 -17.530 -1.379 1.00 0.00 H new ATOM 0 HG SER B 236 70.126 -15.449 -2.403 1.00 0.00 H new ATOM 1835 N VAL B 237 73.269 -18.011 -4.059 1.00 0.00 N ATOM 1836 CA VAL B 237 74.093 -17.805 -5.250 1.00 0.00 C ATOM 1837 C VAL B 237 73.211 -17.418 -6.440 1.00 0.00 C ATOM 1838 O VAL B 237 72.144 -17.998 -6.648 1.00 0.00 O ATOM 1839 CB VAL B 237 74.898 -19.084 -5.567 1.00 0.00 C ATOM 1840 CG1 VAL B 237 73.949 -20.258 -5.850 1.00 0.00 C ATOM 1841 CG2 VAL B 237 75.796 -18.854 -6.794 1.00 0.00 C ATOM 0 H VAL B 237 72.575 -18.753 -4.152 1.00 0.00 H new ATOM 0 HA VAL B 237 74.794 -16.993 -5.059 1.00 0.00 H new ATOM 0 HB VAL B 237 75.517 -19.322 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL B 237 74.532 -21.152 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL B 237 73.324 -20.440 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL B 237 73.316 -20.017 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL B 237 76.359 -19.762 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL B 237 75.178 -18.599 -7.655 1.00 0.00 H new ATOM 0 HG23 VAL B 237 76.489 -18.038 -6.590 1.00 0.00 H new ATOM 1851 N HIS B 238 73.680 -16.439 -7.208 1.00 0.00 N ATOM 1852 CA HIS B 238 72.948 -15.974 -8.378 1.00 0.00 C ATOM 1853 C HIS B 238 72.901 -17.070 -9.440 1.00 0.00 C ATOM 1854 O HIS B 238 71.856 -17.306 -10.051 1.00 0.00 O ATOM 1855 CB HIS B 238 73.629 -14.726 -8.955 1.00 0.00 C ATOM 1856 CG HIS B 238 73.165 -13.495 -8.219 1.00 0.00 C ATOM 1857 ND1 HIS B 238 73.745 -13.085 -7.028 1.00 0.00 N ATOM 1858 CD2 HIS B 238 72.176 -12.583 -8.487 1.00 0.00 C ATOM 1859 CE1 HIS B 238 73.107 -11.971 -6.628 1.00 0.00 C ATOM 1860 NE2 HIS B 238 72.141 -11.621 -7.481 1.00 0.00 N ATOM 0 H HIS B 238 74.562 -15.954 -7.040 1.00 0.00 H new ATOM 0 HA HIS B 238 71.930 -15.725 -8.080 1.00 0.00 H new ATOM 0 HB2 HIS B 238 74.712 -14.822 -8.872 1.00 0.00 H new ATOM 0 HB3 HIS B 238 73.397 -14.634 -10.016 1.00 0.00 H new ATOM 0 HD2 HIS B 238 71.524 -12.607 -9.347 1.00 0.00 H new ATOM 0 HE1 HIS B 238 73.347 -11.426 -5.727 1.00 0.00 H new ATOM 0 HE2 HIS B 238 71.512 -10.821 -7.411 1.00 0.00 H new ATOM 1868 N LYS B 239 74.039 -17.740 -9.646 1.00 0.00 N ATOM 1869 CA LYS B 239 74.125 -18.817 -10.633 1.00 0.00 C ATOM 1870 C LYS B 239 73.374 -20.050 -10.143 1.00 0.00 C ATOM 1871 O LYS B 239 73.540 -20.470 -8.995 1.00 0.00 O ATOM 1872 CB LYS B 239 75.589 -19.176 -10.892 1.00 0.00 C ATOM 1873 CG LYS B 239 76.283 -18.014 -11.605 1.00 0.00 C ATOM 1874 CD LYS B 239 77.751 -18.368 -11.854 1.00 0.00 C ATOM 1875 CE LYS B 239 78.453 -17.189 -12.531 1.00 0.00 C ATOM 1876 NZ LYS B 239 77.896 -16.998 -13.899 1.00 0.00 N ATOM 0 H LYS B 239 74.908 -17.556 -9.145 1.00 0.00 H new ATOM 0 HA LYS B 239 73.669 -18.472 -11.561 1.00 0.00 H new ATOM 0 HB2 LYS B 239 76.093 -19.391 -9.950 1.00 0.00 H new ATOM 0 HB3 LYS B 239 75.651 -20.078 -11.500 1.00 0.00 H new ATOM 0 HG2 LYS B 239 75.784 -17.804 -12.551 1.00 0.00 H new ATOM 0 HG3 LYS B 239 76.214 -17.110 -11.000 1.00 0.00 H new ATOM 0 HD2 LYS B 239 78.244 -18.606 -10.911 1.00 0.00 H new ATOM 0 HD3 LYS B 239 77.820 -19.256 -12.483 1.00 0.00 H new ATOM 0 HE2 LYS B 239 78.316 -16.283 -11.941 1.00 0.00 H new ATOM 0 HE3 LYS B 239 79.526 -17.374 -12.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 78.536 -16.394 -14.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 77.800 -17.922 -14.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 76.962 -16.544 -13.834 1.00 0.00 H new ATOM 1890 N ARG B 240 72.551 -20.624 -11.023 1.00 0.00 N ATOM 1891 CA ARG B 240 71.769 -21.813 -10.683 1.00 0.00 C ATOM 1892 C ARG B 240 71.989 -22.908 -11.720 1.00 0.00 C ATOM 1893 O ARG B 240 72.301 -22.574 -12.851 1.00 0.00 O ATOM 1894 CB ARG B 240 70.280 -21.461 -10.620 1.00 0.00 C ATOM 1895 CG ARG B 240 70.016 -20.544 -9.423 1.00 0.00 C ATOM 1896 CD ARG B 240 68.525 -20.203 -9.366 1.00 0.00 C ATOM 1897 NE ARG B 240 68.245 -19.301 -8.239 1.00 0.00 N ATOM 1898 CZ ARG B 240 67.002 -19.096 -7.760 1.00 0.00 C ATOM 1899 NH1 ARG B 240 65.956 -19.701 -8.281 1.00 0.00 N ATOM 1900 NH2 ARG B 240 66.831 -18.281 -6.756 1.00 0.00 N ATOM 1901 OXT ARG B 240 71.841 -24.069 -11.369 1.00 0.00 O ATOM 0 H ARG B 240 72.409 -20.285 -11.975 1.00 0.00 H new ATOM 0 HA ARG B 240 72.097 -22.175 -9.709 1.00 0.00 H new ATOM 0 HB2 ARG B 240 69.974 -20.968 -11.543 1.00 0.00 H new ATOM 0 HB3 ARG B 240 69.685 -22.370 -10.532 1.00 0.00 H new ATOM 0 HG2 ARG B 240 70.324 -21.034 -8.500 1.00 0.00 H new ATOM 0 HG3 ARG B 240 70.606 -19.632 -9.512 1.00 0.00 H new ATOM 0 HD2 ARG B 240 68.218 -19.733 -10.300 1.00 0.00 H new ATOM 0 HD3 ARG B 240 67.941 -21.117 -9.261 1.00 0.00 H new ATOM 0 HE ARG B 240 69.024 -18.810 -7.801 1.00 0.00 H new ATOM 0 HH11 ARG B 240 66.076 -20.342 -9.065 1.00 0.00 H new ATOM 0 HH12 ARG B 240 65.025 -19.529 -7.900 1.00 0.00 H new ATOM 0 HH21 ARG B 240 67.633 -17.807 -6.342 1.00 0.00 H new ATOM 0 HH22 ARG B 240 65.895 -18.118 -6.385 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 96.966 -11.918 3.011 1.00 0.00 ZN