USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 892 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 HD1 : B 219 HIS ND1 : B 301 ZNZN :(H bumps) USER MOD Set 1.1: A 7 THR OG1 : rot 136:sc= 0.189 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.902 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -151:sc= 1.27 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 134:sc= 1.06 USER MOD Single : A 0 HIS : no HE2:sc= 0.0497 X(o=0.05,f=-0.39) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A -1 SER OG : rot 41:sc= 0.102 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 140:sc= -0.548 (180deg=-2.49!) USER MOD Single : A 14 THR OG1 : rot -85:sc= 0.161 USER MOD Single : A 20 SER OG : rot -48:sc= 0.385 USER MOD Single : A 22 THR OG1 : rot 33:sc= 0.29 USER MOD Single : A 25 ASN : amide:sc=-0.000905 X(o=-0.00091,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= 0.00249 (180deg=-0.688) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.838 X(o=-0.84,f=-0.59) USER MOD Single : A 33 LYS NZ :NH3+ -151:sc= 0.694 (180deg=0.359) USER MOD Single : A 40 GLN : amide:sc= 0.225 X(o=0.23,f=-0.21) USER MOD Single : A 41 GLN :FLIP amide:sc= -5.03! C(o=-6.7!,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.054) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0449 USER MOD Single : A 57 SER OG : rot -26:sc= 0.00103 USER MOD Single : A 59 TYR OH : rot -82:sc= 0.0793 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0576 F(o=-2.2!,f=-0.058) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= 1.42 (180deg=1.25) USER MOD Single : A 65 SER OG : rot -130:sc= 0.0703 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : B 196 SER OG : rot 180:sc= 0 USER MOD Single : B 198 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 200 THR OG1 : rot 180:sc= 0 USER MOD Single : B 201 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0316) USER MOD Single : B 210 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=-0.021) USER MOD Single : B 217 ASN : amide:sc= -1.42 K(o=-1.4,f=-3!) 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 ----------------------------------------------------------------- ATOM 1 N GLY A -2 3.758 -0.661 -2.820 1.00 0.00 N ATOM 2 CA GLY A -2 2.840 0.449 -2.487 1.00 0.00 C ATOM 3 C GLY A -2 3.569 1.788 -2.498 1.00 0.00 C ATOM 4 O GLY A -2 4.176 2.165 -1.491 1.00 0.00 O ATOM 0 H1 GLY A -2 3.235 -1.560 -2.805 1.00 0.00 H new ATOM 0 H2 GLY A -2 4.158 -0.508 -3.768 1.00 0.00 H new ATOM 0 H3 GLY A -2 4.528 -0.696 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A -2 2.019 0.473 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A -2 2.401 0.279 -1.504 1.00 0.00 H new ATOM 10 N SER A -1 3.526 2.492 -3.650 1.00 0.00 N ATOM 11 CA SER A -1 4.185 3.796 -3.833 1.00 0.00 C ATOM 12 C SER A -1 3.462 4.903 -3.032 1.00 0.00 C ATOM 13 O SER A -1 2.298 5.225 -3.306 1.00 0.00 O ATOM 14 CB SER A -1 4.229 4.143 -5.342 1.00 0.00 C ATOM 15 OG SER A -1 2.946 4.014 -5.953 1.00 0.00 O ATOM 0 H SER A -1 3.030 2.167 -4.480 1.00 0.00 H new ATOM 0 HA SER A -1 5.204 3.733 -3.452 1.00 0.00 H new ATOM 0 HB2 SER A -1 4.592 5.163 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A -1 4.939 3.487 -5.845 1.00 0.00 H new ATOM 0 HG SER A -1 2.259 4.363 -5.348 1.00 0.00 H new ATOM 21 N HIS A 0 4.152 5.457 -2.016 1.00 0.00 N ATOM 22 CA HIS A 0 3.625 6.556 -1.179 1.00 0.00 C ATOM 23 C HIS A 0 4.357 7.870 -1.517 1.00 0.00 C ATOM 24 O HIS A 0 5.264 7.899 -2.366 1.00 0.00 O ATOM 25 CB HIS A 0 3.778 6.211 0.331 1.00 0.00 C ATOM 26 CG HIS A 0 3.185 4.876 0.711 1.00 0.00 C ATOM 27 ND1 HIS A 0 1.847 4.573 0.557 1.00 0.00 N ATOM 28 CD2 HIS A 0 3.759 3.752 1.208 1.00 0.00 C ATOM 29 CE1 HIS A 0 1.634 3.329 0.932 1.00 0.00 C ATOM 30 NE2 HIS A 0 2.774 2.806 1.329 1.00 0.00 N ATOM 0 H HIS A 0 5.090 5.156 -1.751 1.00 0.00 H new ATOM 0 HA HIS A 0 2.563 6.685 -1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 0 4.837 6.215 0.590 1.00 0.00 H new ATOM 0 HB3 HIS A 0 3.302 6.992 0.923 1.00 0.00 H new ATOM 0 HD1 HIS A 0 1.134 5.213 0.207 1.00 0.00 H new ATOM 0 HD2 HIS A 0 4.801 3.625 1.462 1.00 0.00 H new ATOM 0 HE1 HIS A 0 0.681 2.822 0.916 1.00 0.00 H new ATOM 39 N MET A 1 3.950 8.960 -0.855 1.00 0.00 N ATOM 40 CA MET A 1 4.549 10.298 -1.038 1.00 0.00 C ATOM 41 C MET A 1 5.267 10.722 0.249 1.00 0.00 C ATOM 42 O MET A 1 5.114 10.085 1.293 1.00 0.00 O ATOM 43 CB MET A 1 3.451 11.319 -1.422 1.00 0.00 C ATOM 44 CG MET A 1 2.689 10.942 -2.696 1.00 0.00 C ATOM 45 SD MET A 1 3.807 10.716 -4.100 1.00 0.00 S ATOM 46 CE MET A 1 2.676 10.245 -5.404 1.00 0.00 C ATOM 0 H MET A 1 3.192 8.944 -0.173 1.00 0.00 H new ATOM 0 HA MET A 1 5.280 10.264 -1.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.744 11.408 -0.597 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.908 12.299 -1.557 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.127 10.023 -2.526 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.963 11.721 -2.930 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.233 10.075 -6.325 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.155 9.330 -5.121 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.949 11.042 -5.561 1.00 0.00 H new ATOM 56 N GLN A 2 6.075 11.785 0.166 1.00 0.00 N ATOM 57 CA GLN A 2 6.776 12.346 1.334 1.00 0.00 C ATOM 58 C GLN A 2 6.377 13.799 1.556 1.00 0.00 C ATOM 59 O GLN A 2 6.181 14.529 0.596 1.00 0.00 O ATOM 60 CB GLN A 2 8.320 12.233 1.211 1.00 0.00 C ATOM 61 CG GLN A 2 8.884 10.789 1.331 1.00 0.00 C ATOM 62 CD GLN A 2 8.917 10.027 0.003 1.00 0.00 C ATOM 63 OE1 GLN A 2 7.989 9.300 -0.361 1.00 0.00 O ATOM 64 NE2 GLN A 2 9.986 10.225 -0.741 1.00 0.00 N ATOM 0 H GLN A 2 6.263 12.280 -0.706 1.00 0.00 H new ATOM 0 HA GLN A 2 6.472 11.752 2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.624 12.647 0.250 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.777 12.851 1.984 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.894 10.836 1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.279 10.230 2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.734 10.833 -0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.066 9.770 -1.651 1.00 0.00 H new ATOM 73 N ILE A 3 6.265 14.184 2.841 1.00 0.00 N ATOM 74 CA ILE A 3 5.981 15.572 3.286 1.00 0.00 C ATOM 75 C ILE A 3 6.965 15.962 4.398 1.00 0.00 C ATOM 76 O ILE A 3 7.493 15.091 5.109 1.00 0.00 O ATOM 77 CB ILE A 3 4.489 15.810 3.793 1.00 0.00 C ATOM 78 CG1 ILE A 3 4.056 14.789 4.909 1.00 0.00 C ATOM 79 CG2 ILE A 3 3.492 15.810 2.609 1.00 0.00 C ATOM 80 CD1 ILE A 3 3.765 13.376 4.417 1.00 0.00 C ATOM 0 H ILE A 3 6.370 13.531 3.618 1.00 0.00 H new ATOM 0 HA ILE A 3 6.104 16.202 2.405 1.00 0.00 H new ATOM 0 HB ILE A 3 4.468 16.797 4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.844 14.740 5.660 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.166 15.174 5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.482 15.974 2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.755 16.606 1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.537 14.849 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.475 12.749 5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.953 13.404 3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.658 12.963 3.948 1.00 0.00 H new ATOM 92 N PHE A 4 7.194 17.278 4.542 1.00 0.00 N ATOM 93 CA PHE A 4 8.198 17.838 5.468 1.00 0.00 C ATOM 94 C PHE A 4 7.490 18.611 6.592 1.00 0.00 C ATOM 95 O PHE A 4 6.914 19.670 6.370 1.00 0.00 O ATOM 96 CB PHE A 4 9.192 18.744 4.686 1.00 0.00 C ATOM 97 CG PHE A 4 9.928 17.996 3.568 1.00 0.00 C ATOM 98 CD1 PHE A 4 11.070 17.243 3.847 1.00 0.00 C ATOM 99 CD2 PHE A 4 9.471 18.032 2.248 1.00 0.00 C ATOM 100 CE1 PHE A 4 11.722 16.543 2.847 1.00 0.00 C ATOM 101 CE2 PHE A 4 10.127 17.333 1.250 1.00 0.00 C ATOM 102 CZ PHE A 4 11.257 16.594 1.548 1.00 0.00 C ATOM 0 H PHE A 4 6.686 17.989 4.017 1.00 0.00 H new ATOM 0 HA PHE A 4 8.772 17.031 5.924 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.648 19.585 4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.922 19.158 5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.450 17.206 4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.594 18.613 2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.597 15.955 3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.756 17.365 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.775 16.058 0.766 1.00 0.00 H new ATOM 112 N VAL A 5 7.511 18.042 7.794 1.00 0.00 N ATOM 113 CA VAL A 5 6.889 18.627 8.990 1.00 0.00 C ATOM 114 C VAL A 5 8.006 19.177 9.897 1.00 0.00 C ATOM 115 O VAL A 5 8.882 18.431 10.312 1.00 0.00 O ATOM 116 CB VAL A 5 6.015 17.553 9.739 1.00 0.00 C ATOM 117 CG1 VAL A 5 5.363 18.138 11.004 1.00 0.00 C ATOM 118 CG2 VAL A 5 4.933 16.971 8.796 1.00 0.00 C ATOM 0 H VAL A 5 7.967 17.147 7.973 1.00 0.00 H new ATOM 0 HA VAL A 5 6.221 19.441 8.708 1.00 0.00 H new ATOM 0 HB VAL A 5 6.681 16.747 10.047 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.767 17.369 11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.139 18.486 11.685 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.720 18.974 10.729 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.341 16.231 9.334 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.282 17.774 8.449 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.413 16.498 7.939 1.00 0.00 H new ATOM 128 N LYS A 6 7.973 20.483 10.167 1.00 0.00 N ATOM 129 CA LYS A 6 9.052 21.203 10.863 1.00 0.00 C ATOM 130 C LYS A 6 8.619 21.555 12.301 1.00 0.00 C ATOM 131 O LYS A 6 7.585 22.195 12.471 1.00 0.00 O ATOM 132 CB LYS A 6 9.365 22.513 10.079 1.00 0.00 C ATOM 133 CG LYS A 6 10.738 23.139 10.394 1.00 0.00 C ATOM 134 CD LYS A 6 11.884 22.441 9.631 1.00 0.00 C ATOM 135 CE LYS A 6 13.252 23.052 9.951 1.00 0.00 C ATOM 136 NZ LYS A 6 14.326 22.518 9.082 1.00 0.00 N ATOM 0 H LYS A 6 7.189 21.082 9.907 1.00 0.00 H new ATOM 0 HA LYS A 6 9.939 20.571 10.911 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.313 22.302 9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.588 23.246 10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.722 24.197 10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.927 23.077 11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.894 21.381 9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.699 22.511 8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.199 24.135 9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.500 22.854 10.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.231 22.543 9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.104 21.537 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.398 23.099 8.222 1.00 0.00 H new ATOM 150 N THR A 7 9.411 21.164 13.324 1.00 0.00 N ATOM 151 CA THR A 7 9.118 21.512 14.733 1.00 0.00 C ATOM 152 C THR A 7 9.477 22.978 15.047 1.00 0.00 C ATOM 153 O THR A 7 10.159 23.651 14.261 1.00 0.00 O ATOM 154 CB THR A 7 9.880 20.603 15.742 1.00 0.00 C ATOM 155 OG1 THR A 7 11.289 20.709 15.518 1.00 0.00 O ATOM 156 CG2 THR A 7 9.446 19.140 15.659 1.00 0.00 C ATOM 0 H THR A 7 10.257 20.608 13.201 1.00 0.00 H new ATOM 0 HA THR A 7 8.045 21.358 14.850 1.00 0.00 H new ATOM 0 HB THR A 7 9.633 20.953 16.744 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.752 20.787 16.378 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.009 18.552 16.384 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.381 19.063 15.878 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.638 18.760 14.656 1.00 0.00 H new ATOM 164 N LEU A 8 9.023 23.441 16.228 1.00 0.00 N ATOM 165 CA LEU A 8 9.402 24.750 16.790 1.00 0.00 C ATOM 166 C LEU A 8 10.877 24.755 17.254 1.00 0.00 C ATOM 167 O LEU A 8 11.492 25.820 17.364 1.00 0.00 O ATOM 168 CB LEU A 8 8.471 25.106 17.976 1.00 0.00 C ATOM 169 CG LEU A 8 6.950 25.214 17.653 1.00 0.00 C ATOM 170 CD1 LEU A 8 6.142 25.526 18.930 1.00 0.00 C ATOM 171 CD2 LEU A 8 6.677 26.258 16.543 1.00 0.00 C ATOM 0 H LEU A 8 8.381 22.915 16.820 1.00 0.00 H new ATOM 0 HA LEU A 8 9.292 25.500 16.007 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.603 24.352 18.752 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.800 26.057 18.395 1.00 0.00 H new ATOM 0 HG LEU A 8 6.620 24.247 17.272 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.083 25.597 18.682 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.291 24.729 19.659 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.480 26.472 19.352 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.606 26.306 16.344 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.030 27.236 16.869 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.202 25.967 15.633 1.00 0.00 H new ATOM 183 N THR A 9 11.422 23.547 17.537 1.00 0.00 N ATOM 184 CA THR A 9 12.851 23.359 17.868 1.00 0.00 C ATOM 185 C THR A 9 13.721 23.340 16.587 1.00 0.00 C ATOM 186 O THR A 9 14.951 23.289 16.667 1.00 0.00 O ATOM 187 CB THR A 9 13.071 22.055 18.716 1.00 0.00 C ATOM 188 OG1 THR A 9 12.494 20.921 18.048 1.00 0.00 O ATOM 189 CG2 THR A 9 12.461 22.182 20.128 1.00 0.00 C ATOM 0 H THR A 9 10.884 22.680 17.542 1.00 0.00 H new ATOM 0 HA THR A 9 13.165 24.208 18.475 1.00 0.00 H new ATOM 0 HB THR A 9 14.147 21.913 18.819 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.640 20.115 18.586 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.634 21.260 20.683 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.929 23.015 20.653 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.389 22.361 20.046 1.00 0.00 H new ATOM 197 N GLY A 10 13.058 23.374 15.412 1.00 0.00 N ATOM 198 CA GLY A 10 13.720 23.635 14.131 1.00 0.00 C ATOM 199 C GLY A 10 14.246 22.385 13.440 1.00 0.00 C ATOM 200 O GLY A 10 15.129 22.479 12.579 1.00 0.00 O ATOM 0 H GLY A 10 12.053 23.221 15.332 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.017 24.137 13.466 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.549 24.323 14.296 1.00 0.00 H new ATOM 204 N LYS A 11 13.709 21.219 13.807 1.00 0.00 N ATOM 205 CA LYS A 11 14.073 19.935 13.174 1.00 0.00 C ATOM 206 C LYS A 11 13.071 19.617 12.038 1.00 0.00 C ATOM 207 O LYS A 11 11.922 20.078 12.073 1.00 0.00 O ATOM 208 CB LYS A 11 14.118 18.782 14.226 1.00 0.00 C ATOM 209 CG LYS A 11 12.771 18.076 14.447 1.00 0.00 C ATOM 210 CD LYS A 11 12.762 17.002 15.556 1.00 0.00 C ATOM 211 CE LYS A 11 13.466 15.697 15.158 1.00 0.00 C ATOM 212 NZ LYS A 11 14.937 15.831 15.034 1.00 0.00 N ATOM 0 H LYS A 11 13.012 21.131 14.547 1.00 0.00 H new ATOM 0 HA LYS A 11 15.073 20.021 12.748 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.854 18.044 13.908 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.463 19.187 15.177 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.020 18.829 14.687 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.466 17.610 13.510 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.244 17.407 16.446 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.730 16.780 15.826 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.240 14.931 15.900 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.060 15.350 14.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.397 14.986 15.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.193 15.928 14.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.254 16.673 15.556 1.00 0.00 H new ATOM 226 N THR A 12 13.514 18.848 11.033 1.00 0.00 N ATOM 227 CA THR A 12 12.649 18.381 9.927 1.00 0.00 C ATOM 228 C THR A 12 12.281 16.893 10.110 1.00 0.00 C ATOM 229 O THR A 12 13.145 16.056 10.400 1.00 0.00 O ATOM 230 CB THR A 12 13.369 18.562 8.560 1.00 0.00 C ATOM 231 OG1 THR A 12 13.736 19.932 8.382 1.00 0.00 O ATOM 232 CG2 THR A 12 12.508 18.104 7.356 1.00 0.00 C ATOM 0 H THR A 12 14.480 18.530 10.959 1.00 0.00 H new ATOM 0 HA THR A 12 11.738 18.980 9.941 1.00 0.00 H new ATOM 0 HB THR A 12 14.254 17.927 8.587 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.662 19.984 8.065 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.065 18.256 6.432 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.265 17.047 7.464 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.587 18.687 7.324 1.00 0.00 H new ATOM 240 N ILE A 13 10.996 16.583 9.918 1.00 0.00 N ATOM 241 CA ILE A 13 10.453 15.217 9.985 1.00 0.00 C ATOM 242 C ILE A 13 9.858 14.861 8.609 1.00 0.00 C ATOM 243 O ILE A 13 8.844 15.434 8.207 1.00 0.00 O ATOM 244 CB ILE A 13 9.354 15.071 11.117 1.00 0.00 C ATOM 245 CG1 ILE A 13 9.923 15.451 12.536 1.00 0.00 C ATOM 246 CG2 ILE A 13 8.755 13.653 11.135 1.00 0.00 C ATOM 247 CD1 ILE A 13 9.749 16.911 12.901 1.00 0.00 C ATOM 0 H ILE A 13 10.287 17.286 9.707 1.00 0.00 H new ATOM 0 HA ILE A 13 11.260 14.530 10.239 1.00 0.00 H new ATOM 0 HB ILE A 13 8.556 15.775 10.880 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.429 14.838 13.290 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.984 15.203 12.568 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.004 13.585 11.922 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.291 13.442 10.172 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.545 12.927 11.324 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.166 17.091 13.892 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.267 17.533 12.171 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.688 17.162 12.903 1.00 0.00 H new ATOM 259 N THR A 14 10.518 13.945 7.880 1.00 0.00 N ATOM 260 CA THR A 14 10.035 13.451 6.579 1.00 0.00 C ATOM 261 C THR A 14 9.162 12.199 6.796 1.00 0.00 C ATOM 262 O THR A 14 9.640 11.197 7.342 1.00 0.00 O ATOM 263 CB THR A 14 11.228 13.106 5.622 1.00 0.00 C ATOM 264 OG1 THR A 14 12.075 14.262 5.463 1.00 0.00 O ATOM 265 CG2 THR A 14 10.749 12.628 4.225 1.00 0.00 C ATOM 0 H THR A 14 11.400 13.527 8.175 1.00 0.00 H new ATOM 0 HA THR A 14 9.444 14.239 6.111 1.00 0.00 H new ATOM 0 HB THR A 14 11.781 12.287 6.081 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.716 14.836 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.614 12.402 3.601 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.138 11.732 4.337 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.158 13.414 3.755 1.00 0.00 H new ATOM 273 N LEU A 15 7.879 12.276 6.385 1.00 0.00 N ATOM 274 CA LEU A 15 6.914 11.154 6.501 1.00 0.00 C ATOM 275 C LEU A 15 6.694 10.528 5.137 1.00 0.00 C ATOM 276 O LEU A 15 6.836 11.198 4.129 1.00 0.00 O ATOM 277 CB LEU A 15 5.536 11.606 7.076 1.00 0.00 C ATOM 278 CG LEU A 15 5.562 12.302 8.464 1.00 0.00 C ATOM 279 CD1 LEU A 15 6.434 11.518 9.455 1.00 0.00 C ATOM 280 CD2 LEU A 15 6.011 13.769 8.351 1.00 0.00 C ATOM 0 H LEU A 15 7.480 13.115 5.964 1.00 0.00 H new ATOM 0 HA LEU A 15 7.345 10.433 7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.074 12.287 6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.891 10.730 7.145 1.00 0.00 H new ATOM 0 HG LEU A 15 4.544 12.308 8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.436 12.026 10.419 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.033 10.512 9.576 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.454 11.459 9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.017 14.225 9.341 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.014 13.811 7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.320 14.312 7.706 1.00 0.00 H new ATOM 292 N GLU A 16 6.284 9.259 5.139 1.00 0.00 N ATOM 293 CA GLU A 16 6.131 8.444 3.926 1.00 0.00 C ATOM 294 C GLU A 16 4.677 7.954 3.842 1.00 0.00 C ATOM 295 O GLU A 16 4.385 6.783 4.113 1.00 0.00 O ATOM 296 CB GLU A 16 7.143 7.262 3.979 1.00 0.00 C ATOM 297 CG GLU A 16 8.613 7.701 4.152 1.00 0.00 C ATOM 298 CD GLU A 16 9.563 6.535 4.468 1.00 0.00 C ATOM 299 OE1 GLU A 16 9.506 6.010 5.596 1.00 0.00 O ATOM 300 OE2 GLU A 16 10.364 6.138 3.597 1.00 0.00 O ATOM 0 H GLU A 16 6.044 8.758 5.995 1.00 0.00 H new ATOM 0 HA GLU A 16 6.345 9.027 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.872 6.602 4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.054 6.680 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.947 8.195 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.673 8.437 4.954 1.00 0.00 H new ATOM 307 N VAL A 17 3.759 8.885 3.520 1.00 0.00 N ATOM 308 CA VAL A 17 2.299 8.634 3.497 1.00 0.00 C ATOM 309 C VAL A 17 1.680 9.321 2.259 1.00 0.00 C ATOM 310 O VAL A 17 2.387 9.912 1.450 1.00 0.00 O ATOM 311 CB VAL A 17 1.576 9.139 4.809 1.00 0.00 C ATOM 312 CG1 VAL A 17 2.117 8.470 6.098 1.00 0.00 C ATOM 313 CG2 VAL A 17 1.640 10.671 4.913 1.00 0.00 C ATOM 0 H VAL A 17 4.008 9.841 3.266 1.00 0.00 H new ATOM 0 HA VAL A 17 2.152 7.555 3.446 1.00 0.00 H new ATOM 0 HB VAL A 17 0.532 8.837 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.580 8.859 6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.972 7.391 6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.180 8.688 6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.136 10.995 5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.682 10.991 4.941 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.148 11.115 4.048 1.00 0.00 H new ATOM 323 N GLU A 18 0.353 9.258 2.128 1.00 0.00 N ATOM 324 CA GLU A 18 -0.359 9.730 0.923 1.00 0.00 C ATOM 325 C GLU A 18 -1.137 11.037 1.226 1.00 0.00 C ATOM 326 O GLU A 18 -1.433 11.313 2.393 1.00 0.00 O ATOM 327 CB GLU A 18 -1.313 8.597 0.435 1.00 0.00 C ATOM 328 CG GLU A 18 -0.736 7.180 0.641 1.00 0.00 C ATOM 329 CD GLU A 18 -1.593 6.040 0.076 1.00 0.00 C ATOM 330 OE1 GLU A 18 -2.829 6.082 0.223 1.00 0.00 O ATOM 331 OE2 GLU A 18 -1.020 5.068 -0.458 1.00 0.00 O ATOM 0 H GLU A 18 -0.263 8.881 2.848 1.00 0.00 H new ATOM 0 HA GLU A 18 0.356 9.960 0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.261 8.676 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.528 8.744 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.250 7.136 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.596 7.013 1.709 1.00 0.00 H new ATOM 338 N PRO A 19 -1.478 11.873 0.186 1.00 0.00 N ATOM 339 CA PRO A 19 -2.356 13.063 0.370 1.00 0.00 C ATOM 340 C PRO A 19 -3.781 12.665 0.830 1.00 0.00 C ATOM 341 O PRO A 19 -4.442 13.417 1.550 1.00 0.00 O ATOM 342 CB PRO A 19 -2.364 13.726 -1.037 1.00 0.00 C ATOM 343 CG PRO A 19 -2.018 12.609 -1.976 1.00 0.00 C ATOM 344 CD PRO A 19 -1.023 11.751 -1.231 1.00 0.00 C ATOM 0 HA PRO A 19 -1.998 13.734 1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.339 14.153 -1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.638 14.537 -1.099 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.904 12.036 -2.248 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.590 12.993 -2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.043 10.717 -1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.002 12.110 -1.361 1.00 0.00 H new ATOM 352 N SER A 20 -4.215 11.446 0.449 1.00 0.00 N ATOM 353 CA SER A 20 -5.560 10.921 0.770 1.00 0.00 C ATOM 354 C SER A 20 -5.440 9.791 1.821 1.00 0.00 C ATOM 355 O SER A 20 -6.317 8.929 1.937 1.00 0.00 O ATOM 356 CB SER A 20 -6.254 10.444 -0.538 1.00 0.00 C ATOM 357 OG SER A 20 -7.600 10.039 -0.325 1.00 0.00 O ATOM 0 H SER A 20 -3.643 10.797 -0.091 1.00 0.00 H new ATOM 0 HA SER A 20 -6.181 11.704 1.205 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.233 11.250 -1.271 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.691 9.613 -0.962 1.00 0.00 H new ATOM 0 HG SER A 20 -7.641 9.430 0.442 1.00 0.00 H new ATOM 363 N ASP A 21 -4.345 9.840 2.614 1.00 0.00 N ATOM 364 CA ASP A 21 -4.111 8.913 3.739 1.00 0.00 C ATOM 365 C ASP A 21 -5.013 9.323 4.938 1.00 0.00 C ATOM 366 O ASP A 21 -6.204 9.009 4.912 1.00 0.00 O ATOM 367 CB ASP A 21 -2.586 8.885 4.066 1.00 0.00 C ATOM 368 CG ASP A 21 -2.190 8.112 5.333 1.00 0.00 C ATOM 369 OD1 ASP A 21 -2.472 6.899 5.423 1.00 0.00 O ATOM 370 OD2 ASP A 21 -1.577 8.730 6.230 1.00 0.00 O ATOM 0 H ASP A 21 -3.600 10.525 2.490 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.391 7.891 3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.059 8.449 3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.236 9.912 4.165 1.00 0.00 H new ATOM 375 N THR A 22 -4.451 10.044 5.942 1.00 0.00 N ATOM 376 CA THR A 22 -5.181 10.622 7.090 1.00 0.00 C ATOM 377 C THR A 22 -4.161 11.220 8.077 1.00 0.00 C ATOM 378 O THR A 22 -3.103 10.632 8.309 1.00 0.00 O ATOM 379 CB THR A 22 -6.136 9.617 7.845 1.00 0.00 C ATOM 380 OG1 THR A 22 -6.811 10.291 8.917 1.00 0.00 O ATOM 381 CG2 THR A 22 -5.405 8.384 8.402 1.00 0.00 C ATOM 0 H THR A 22 -3.451 10.242 5.972 1.00 0.00 H new ATOM 0 HA THR A 22 -5.840 11.387 6.680 1.00 0.00 H new ATOM 0 HB THR A 22 -6.852 9.260 7.105 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.978 11.223 8.664 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.120 7.735 8.908 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.936 7.838 7.583 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.640 8.703 9.110 1.00 0.00 H new ATOM 389 N ILE A 23 -4.505 12.387 8.652 1.00 0.00 N ATOM 390 CA ILE A 23 -3.632 13.167 9.556 1.00 0.00 C ATOM 391 C ILE A 23 -3.208 12.349 10.801 1.00 0.00 C ATOM 392 O ILE A 23 -2.067 12.470 11.265 1.00 0.00 O ATOM 393 CB ILE A 23 -4.348 14.500 10.024 1.00 0.00 C ATOM 394 CG1 ILE A 23 -4.756 15.416 8.814 1.00 0.00 C ATOM 395 CG2 ILE A 23 -3.489 15.298 11.036 1.00 0.00 C ATOM 396 CD1 ILE A 23 -3.594 15.952 7.988 1.00 0.00 C ATOM 0 H ILE A 23 -5.414 12.824 8.500 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.736 13.416 8.987 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.262 14.186 10.528 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.418 14.851 8.158 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.330 16.260 9.195 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.020 16.204 11.329 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.303 14.685 11.918 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.539 15.567 10.574 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.979 16.572 7.178 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.941 16.550 8.624 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.030 15.118 7.570 1.00 0.00 H new ATOM 408 N GLU A 24 -4.142 11.527 11.320 1.00 0.00 N ATOM 409 CA GLU A 24 -3.901 10.650 12.492 1.00 0.00 C ATOM 410 C GLU A 24 -2.728 9.683 12.229 1.00 0.00 C ATOM 411 O GLU A 24 -1.907 9.413 13.116 1.00 0.00 O ATOM 412 CB GLU A 24 -5.181 9.846 12.832 1.00 0.00 C ATOM 413 CG GLU A 24 -5.057 8.913 14.061 1.00 0.00 C ATOM 414 CD GLU A 24 -6.329 8.098 14.347 1.00 0.00 C ATOM 415 OE1 GLU A 24 -6.700 7.257 13.498 1.00 0.00 O ATOM 416 OE2 GLU A 24 -6.966 8.302 15.398 1.00 0.00 O ATOM 0 H GLU A 24 -5.086 11.450 10.941 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.640 11.284 13.339 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.997 10.547 13.007 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.457 9.246 11.965 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.224 8.228 13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.815 9.512 14.939 1.00 0.00 H new ATOM 423 N ASN A 25 -2.660 9.195 10.987 1.00 0.00 N ATOM 424 CA ASN A 25 -1.617 8.257 10.543 1.00 0.00 C ATOM 425 C ASN A 25 -0.288 8.994 10.371 1.00 0.00 C ATOM 426 O ASN A 25 0.755 8.491 10.776 1.00 0.00 O ATOM 427 CB ASN A 25 -2.039 7.603 9.217 1.00 0.00 C ATOM 428 CG ASN A 25 -1.137 6.441 8.774 1.00 0.00 C ATOM 429 OD1 ASN A 25 -1.323 5.299 9.194 1.00 0.00 O ATOM 430 ND2 ASN A 25 -0.177 6.716 7.901 1.00 0.00 N ATOM 0 H ASN A 25 -3.328 9.439 10.256 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.489 7.480 11.297 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.062 7.238 9.314 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.044 8.363 8.435 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.431 5.971 7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.047 7.672 7.571 1.00 0.00 H new ATOM 437 N VAL A 26 -0.368 10.204 9.785 1.00 0.00 N ATOM 438 CA VAL A 26 0.809 11.075 9.530 1.00 0.00 C ATOM 439 C VAL A 26 1.538 11.403 10.849 1.00 0.00 C ATOM 440 O VAL A 26 2.762 11.297 10.933 1.00 0.00 O ATOM 441 CB VAL A 26 0.407 12.428 8.814 1.00 0.00 C ATOM 442 CG1 VAL A 26 1.648 13.308 8.487 1.00 0.00 C ATOM 443 CG2 VAL A 26 -0.428 12.157 7.546 1.00 0.00 C ATOM 0 H VAL A 26 -1.249 10.611 9.472 1.00 0.00 H new ATOM 0 HA VAL A 26 1.471 10.519 8.867 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.210 12.990 9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.324 14.226 7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.172 13.555 9.410 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.318 12.760 7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.691 13.104 7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.154 11.553 6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.338 11.622 7.817 1.00 0.00 H new ATOM 453 N LYS A 27 0.752 11.769 11.881 1.00 0.00 N ATOM 454 CA LYS A 27 1.281 12.166 13.201 1.00 0.00 C ATOM 455 C LYS A 27 1.793 10.951 13.995 1.00 0.00 C ATOM 456 O LYS A 27 2.695 11.079 14.839 1.00 0.00 O ATOM 457 CB LYS A 27 0.216 12.954 14.001 1.00 0.00 C ATOM 458 CG LYS A 27 -1.011 12.161 14.475 1.00 0.00 C ATOM 459 CD LYS A 27 -2.020 13.041 15.249 1.00 0.00 C ATOM 460 CE LYS A 27 -2.645 14.143 14.380 1.00 0.00 C ATOM 461 NZ LYS A 27 -3.529 15.049 15.168 1.00 0.00 N ATOM 0 H LYS A 27 -0.266 11.798 11.823 1.00 0.00 H new ATOM 0 HA LYS A 27 2.135 12.823 13.035 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.699 13.389 14.876 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.131 13.782 13.383 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.508 11.716 13.613 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.685 11.340 15.113 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.812 12.409 15.650 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.516 13.499 16.100 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.853 14.728 13.913 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.221 13.686 13.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.457 15.118 14.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.650 14.668 16.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.098 15.994 15.223 1.00 0.00 H new ATOM 475 N ALA A 28 1.206 9.778 13.705 1.00 0.00 N ATOM 476 CA ALA A 28 1.697 8.487 14.208 1.00 0.00 C ATOM 477 C ALA A 28 3.083 8.166 13.605 1.00 0.00 C ATOM 478 O ALA A 28 3.945 7.587 14.276 1.00 0.00 O ATOM 479 CB ALA A 28 0.674 7.384 13.884 1.00 0.00 C ATOM 0 H ALA A 28 0.378 9.700 13.115 1.00 0.00 H new ATOM 0 HA ALA A 28 1.814 8.540 15.290 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.040 6.428 14.258 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.278 7.620 14.360 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.535 7.323 12.805 1.00 0.00 H new ATOM 485 N LYS A 29 3.286 8.575 12.330 1.00 0.00 N ATOM 486 CA LYS A 29 4.580 8.426 11.641 1.00 0.00 C ATOM 487 C LYS A 29 5.615 9.436 12.151 1.00 0.00 C ATOM 488 O LYS A 29 6.803 9.166 12.094 1.00 0.00 O ATOM 489 CB LYS A 29 4.435 8.520 10.092 1.00 0.00 C ATOM 490 CG LYS A 29 3.426 7.534 9.481 1.00 0.00 C ATOM 491 CD LYS A 29 3.652 6.077 9.940 1.00 0.00 C ATOM 492 CE LYS A 29 2.485 5.163 9.555 1.00 0.00 C ATOM 493 NZ LYS A 29 2.677 3.789 10.086 1.00 0.00 N ATOM 0 H LYS A 29 2.563 9.012 11.759 1.00 0.00 H new ATOM 0 HA LYS A 29 4.941 7.425 11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.136 9.535 9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.411 8.348 9.638 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.416 7.842 9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.493 7.581 8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.572 5.696 9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.787 6.055 11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.553 5.577 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.392 5.126 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.870 3.194 9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.554 3.386 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.741 3.824 11.123 1.00 0.00 H new ATOM 507 N ILE A 30 5.164 10.594 12.645 1.00 0.00 N ATOM 508 CA ILE A 30 6.061 11.599 13.260 1.00 0.00 C ATOM 509 C ILE A 30 6.654 11.045 14.574 1.00 0.00 C ATOM 510 O ILE A 30 7.827 11.267 14.885 1.00 0.00 O ATOM 511 CB ILE A 30 5.307 12.952 13.469 1.00 0.00 C ATOM 512 CG1 ILE A 30 4.845 13.492 12.079 1.00 0.00 C ATOM 513 CG2 ILE A 30 6.178 13.998 14.208 1.00 0.00 C ATOM 514 CD1 ILE A 30 3.924 14.671 12.127 1.00 0.00 C ATOM 0 H ILE A 30 4.181 10.866 12.634 1.00 0.00 H new ATOM 0 HA ILE A 30 6.894 11.802 12.587 1.00 0.00 H new ATOM 0 HB ILE A 30 4.439 12.772 14.103 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.728 13.764 11.501 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.348 12.685 11.540 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.612 14.922 14.330 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.458 13.611 15.188 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.078 14.198 13.626 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.662 14.969 11.112 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.019 14.404 12.672 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.420 15.500 12.632 1.00 0.00 H new ATOM 526 N GLN A 31 5.829 10.271 15.302 1.00 0.00 N ATOM 527 CA GLN A 31 6.284 9.482 16.463 1.00 0.00 C ATOM 528 C GLN A 31 7.273 8.372 16.017 1.00 0.00 C ATOM 529 O GLN A 31 8.200 8.022 16.749 1.00 0.00 O ATOM 530 CB GLN A 31 5.064 8.862 17.196 1.00 0.00 C ATOM 531 CG GLN A 31 5.425 8.049 18.460 1.00 0.00 C ATOM 532 CD GLN A 31 4.221 7.428 19.181 1.00 0.00 C ATOM 533 OE1 GLN A 31 4.229 7.294 20.402 1.00 0.00 O ATOM 534 NE2 GLN A 31 3.197 7.010 18.438 1.00 0.00 N ATOM 0 H GLN A 31 4.833 10.174 15.104 1.00 0.00 H new ATOM 0 HA GLN A 31 6.807 10.145 17.152 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.379 9.662 17.477 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.529 8.213 16.502 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.115 7.253 18.180 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.954 8.699 19.157 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.217 7.134 17.426 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.393 6.566 18.881 1.00 0.00 H new ATOM 543 N ASP A 32 7.053 7.829 14.810 1.00 0.00 N ATOM 544 CA ASP A 32 7.946 6.812 14.194 1.00 0.00 C ATOM 545 C ASP A 32 9.303 7.428 13.768 1.00 0.00 C ATOM 546 O ASP A 32 10.295 6.705 13.658 1.00 0.00 O ATOM 547 CB ASP A 32 7.225 6.152 12.978 1.00 0.00 C ATOM 548 CG ASP A 32 8.064 5.118 12.199 1.00 0.00 C ATOM 549 OD1 ASP A 32 8.356 4.041 12.757 1.00 0.00 O ATOM 550 OD2 ASP A 32 8.452 5.386 11.036 1.00 0.00 O ATOM 0 H ASP A 32 6.254 8.076 14.227 1.00 0.00 H new ATOM 0 HA ASP A 32 8.164 6.046 14.938 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.317 5.665 13.335 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.915 6.938 12.289 1.00 0.00 H new ATOM 555 N LYS A 33 9.351 8.765 13.543 1.00 0.00 N ATOM 556 CA LYS A 33 10.589 9.438 13.072 1.00 0.00 C ATOM 557 C LYS A 33 11.344 10.092 14.248 1.00 0.00 C ATOM 558 O LYS A 33 12.435 9.637 14.614 1.00 0.00 O ATOM 559 CB LYS A 33 10.283 10.505 11.981 1.00 0.00 C ATOM 560 CG LYS A 33 9.470 10.000 10.769 1.00 0.00 C ATOM 561 CD LYS A 33 10.157 8.877 9.964 1.00 0.00 C ATOM 562 CE LYS A 33 9.225 8.278 8.889 1.00 0.00 C ATOM 563 NZ LYS A 33 9.839 7.109 8.207 1.00 0.00 N ATOM 0 H LYS A 33 8.558 9.392 13.678 1.00 0.00 H new ATOM 0 HA LYS A 33 11.222 8.669 12.629 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.739 11.328 12.444 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.228 10.911 11.619 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.503 9.639 11.120 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.274 10.840 10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.054 9.271 9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.478 8.088 10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.286 7.975 9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.985 9.043 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.470 7.040 7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.872 7.228 8.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.605 6.240 8.729 1.00 0.00 H new ATOM 577 N GLU A 34 10.750 11.153 14.854 1.00 0.00 N ATOM 578 CA GLU A 34 11.414 11.931 15.924 1.00 0.00 C ATOM 579 C GLU A 34 11.233 11.275 17.306 1.00 0.00 C ATOM 580 O GLU A 34 12.046 11.495 18.213 1.00 0.00 O ATOM 581 CB GLU A 34 10.949 13.414 15.950 1.00 0.00 C ATOM 582 CG GLU A 34 9.485 13.689 16.359 1.00 0.00 C ATOM 583 CD GLU A 34 9.190 15.200 16.549 1.00 0.00 C ATOM 584 OE1 GLU A 34 9.898 15.851 17.352 1.00 0.00 O ATOM 585 OE2 GLU A 34 8.261 15.732 15.918 1.00 0.00 O ATOM 0 H GLU A 34 9.815 11.486 14.618 1.00 0.00 H new ATOM 0 HA GLU A 34 12.478 11.928 15.689 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.599 13.960 16.634 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.107 13.835 14.957 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.818 13.286 15.597 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.266 13.161 17.287 1.00 0.00 H new ATOM 592 N GLY A 35 10.166 10.473 17.456 1.00 0.00 N ATOM 593 CA GLY A 35 9.935 9.688 18.676 1.00 0.00 C ATOM 594 C GLY A 35 8.966 10.334 19.646 1.00 0.00 C ATOM 595 O GLY A 35 8.783 9.834 20.764 1.00 0.00 O ATOM 0 H GLY A 35 9.447 10.352 16.742 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.555 8.705 18.398 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.888 9.530 19.181 1.00 0.00 H new ATOM 599 N ILE A 36 8.324 11.433 19.217 1.00 0.00 N ATOM 600 CA ILE A 36 7.398 12.205 20.066 1.00 0.00 C ATOM 601 C ILE A 36 5.939 11.797 19.724 1.00 0.00 C ATOM 602 O ILE A 36 5.546 11.871 18.554 1.00 0.00 O ATOM 603 CB ILE A 36 7.620 13.775 19.921 1.00 0.00 C ATOM 604 CG1 ILE A 36 8.918 14.257 20.677 1.00 0.00 C ATOM 605 CG2 ILE A 36 6.393 14.571 20.437 1.00 0.00 C ATOM 606 CD1 ILE A 36 10.248 13.774 20.114 1.00 0.00 C ATOM 0 H ILE A 36 8.431 11.811 18.276 1.00 0.00 H new ATOM 0 HA ILE A 36 7.601 11.970 21.111 1.00 0.00 H new ATOM 0 HB ILE A 36 7.747 13.972 18.857 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.925 15.347 20.683 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.849 13.933 21.715 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.578 15.639 20.323 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.510 14.292 19.861 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.227 14.342 21.490 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.064 14.171 20.718 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.278 12.685 20.135 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.355 14.120 19.086 1.00 0.00 H new ATOM 618 N PRO A 37 5.121 11.357 20.744 1.00 0.00 N ATOM 619 CA PRO A 37 3.774 10.770 20.513 1.00 0.00 C ATOM 620 C PRO A 37 2.754 11.803 19.989 1.00 0.00 C ATOM 621 O PRO A 37 2.916 12.991 20.270 1.00 0.00 O ATOM 622 CB PRO A 37 3.375 10.239 21.922 1.00 0.00 C ATOM 623 CG PRO A 37 4.099 11.136 22.870 1.00 0.00 C ATOM 624 CD PRO A 37 5.430 11.427 22.204 1.00 0.00 C ATOM 0 HA PRO A 37 3.786 9.998 19.744 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.297 10.286 22.074 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.671 9.198 22.054 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.539 12.054 23.049 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.240 10.655 23.838 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.812 12.408 22.485 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.188 10.697 22.488 1.00 0.00 H new ATOM 632 N PRO A 38 1.677 11.353 19.248 1.00 0.00 N ATOM 633 CA PRO A 38 0.586 12.240 18.735 1.00 0.00 C ATOM 634 C PRO A 38 -0.095 13.103 19.827 1.00 0.00 C ATOM 635 O PRO A 38 -0.820 14.053 19.516 1.00 0.00 O ATOM 636 CB PRO A 38 -0.426 11.239 18.091 1.00 0.00 C ATOM 637 CG PRO A 38 -0.044 9.892 18.631 1.00 0.00 C ATOM 638 CD PRO A 38 1.450 9.948 18.815 1.00 0.00 C ATOM 0 HA PRO A 38 0.979 12.981 18.039 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.453 11.492 18.355 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.362 11.260 17.003 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.549 9.689 19.575 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.326 9.097 17.941 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.792 9.234 19.564 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.980 9.719 17.891 1.00 0.00 H new ATOM 646 N ASP A 39 0.130 12.727 21.097 1.00 0.00 N ATOM 647 CA ASP A 39 -0.347 13.473 22.267 1.00 0.00 C ATOM 648 C ASP A 39 0.543 14.718 22.524 1.00 0.00 C ATOM 649 O ASP A 39 0.033 15.801 22.799 1.00 0.00 O ATOM 650 CB ASP A 39 -0.358 12.525 23.501 1.00 0.00 C ATOM 651 CG ASP A 39 -0.938 13.153 24.782 1.00 0.00 C ATOM 652 OD1 ASP A 39 -2.041 13.735 24.722 1.00 0.00 O ATOM 653 OD2 ASP A 39 -0.310 13.053 25.856 1.00 0.00 O ATOM 0 H ASP A 39 0.654 11.887 21.340 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.360 13.831 22.084 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.936 11.634 23.254 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.662 12.198 23.701 1.00 0.00 H new ATOM 658 N GLN A 40 1.877 14.548 22.392 1.00 0.00 N ATOM 659 CA GLN A 40 2.886 15.599 22.714 1.00 0.00 C ATOM 660 C GLN A 40 3.267 16.462 21.498 1.00 0.00 C ATOM 661 O GLN A 40 3.849 17.526 21.661 1.00 0.00 O ATOM 662 CB GLN A 40 4.160 14.946 23.347 1.00 0.00 C ATOM 663 CG GLN A 40 4.206 14.944 24.891 1.00 0.00 C ATOM 664 CD GLN A 40 2.884 14.550 25.540 1.00 0.00 C ATOM 665 OE1 GLN A 40 2.071 15.415 25.866 1.00 0.00 O ATOM 666 NE2 GLN A 40 2.658 13.259 25.717 1.00 0.00 N ATOM 0 H GLN A 40 2.292 13.678 22.059 1.00 0.00 H new ATOM 0 HA GLN A 40 2.424 16.272 23.436 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.232 13.916 22.997 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.040 15.471 22.975 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.983 14.255 25.222 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.490 15.937 25.239 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.359 12.575 25.432 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.783 12.948 26.138 1.00 0.00 H new ATOM 675 N GLN A 41 3.002 15.977 20.298 1.00 0.00 N ATOM 676 CA GLN A 41 3.190 16.765 19.063 1.00 0.00 C ATOM 677 C GLN A 41 1.826 17.259 18.553 1.00 0.00 C ATOM 678 O GLN A 41 0.801 16.611 18.795 1.00 0.00 O ATOM 679 CB GLN A 41 3.984 15.936 18.015 1.00 0.00 C ATOM 680 CG GLN A 41 3.404 14.559 17.633 1.00 0.00 C ATOM 681 CD GLN A 41 2.427 14.601 16.467 1.00 0.00 C ATOM 682 OE1 GLN A 41 2.959 14.535 15.268 1.00 0.00 O flip ATOM 683 NE2 GLN A 41 1.214 14.720 16.639 1.00 0.00 N flip ATOM 0 H GLN A 41 2.652 15.033 20.138 1.00 0.00 H new ATOM 0 HA GLN A 41 3.789 17.653 19.265 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.071 16.532 17.106 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.994 15.785 18.396 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.225 13.887 17.382 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.900 14.135 18.501 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.835 14.768 17.585 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.588 14.770 15.836 1.00 0.00 H new ATOM 692 N ARG A 42 1.814 18.428 17.883 1.00 0.00 N ATOM 693 CA ARG A 42 0.577 19.081 17.419 1.00 0.00 C ATOM 694 C ARG A 42 0.756 19.561 15.969 1.00 0.00 C ATOM 695 O ARG A 42 1.737 20.242 15.652 1.00 0.00 O ATOM 696 CB ARG A 42 0.246 20.269 18.368 1.00 0.00 C ATOM 697 CG ARG A 42 -1.235 20.684 18.399 1.00 0.00 C ATOM 698 CD ARG A 42 -1.514 21.708 19.508 1.00 0.00 C ATOM 699 NE ARG A 42 -2.957 21.873 19.764 1.00 0.00 N ATOM 700 CZ ARG A 42 -3.489 22.512 20.821 1.00 0.00 C ATOM 701 NH1 ARG A 42 -2.721 23.145 21.707 1.00 0.00 N ATOM 702 NH2 ARG A 42 -4.801 22.526 20.979 1.00 0.00 N ATOM 0 H ARG A 42 2.662 18.945 17.649 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.253 18.375 17.439 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.554 20.003 19.379 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.843 21.131 18.069 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.515 21.107 17.434 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.857 19.802 18.553 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.018 21.392 20.426 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.084 22.670 19.229 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.603 21.470 19.085 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.708 23.151 21.591 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.146 23.623 22.501 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.401 22.055 20.302 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.213 23.008 21.778 1.00 0.00 H new ATOM 716 N LEU A 43 -0.206 19.215 15.105 1.00 0.00 N ATOM 717 CA LEU A 43 -0.117 19.444 13.648 1.00 0.00 C ATOM 718 C LEU A 43 -0.814 20.747 13.267 1.00 0.00 C ATOM 719 O LEU A 43 -1.985 20.921 13.576 1.00 0.00 O ATOM 720 CB LEU A 43 -0.746 18.242 12.872 1.00 0.00 C ATOM 721 CG LEU A 43 0.201 17.051 12.567 1.00 0.00 C ATOM 722 CD1 LEU A 43 1.368 17.503 11.658 1.00 0.00 C ATOM 723 CD2 LEU A 43 0.704 16.413 13.868 1.00 0.00 C ATOM 0 H LEU A 43 -1.075 18.765 15.393 1.00 0.00 H new ATOM 0 HA LEU A 43 0.935 19.524 13.374 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.592 17.868 13.448 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.143 18.614 11.928 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.358 16.288 12.025 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.021 16.654 11.455 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.970 17.887 10.719 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.937 18.287 12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.366 15.580 13.632 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.248 17.156 14.451 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.145 16.049 14.447 1.00 0.00 H new ATOM 735 N ILE A 44 -0.080 21.664 12.606 1.00 0.00 N ATOM 736 CA ILE A 44 -0.607 22.972 12.165 1.00 0.00 C ATOM 737 C ILE A 44 -0.023 23.334 10.782 1.00 0.00 C ATOM 738 O ILE A 44 1.191 23.364 10.612 1.00 0.00 O ATOM 739 CB ILE A 44 -0.277 24.104 13.222 1.00 0.00 C ATOM 740 CG1 ILE A 44 -0.989 23.802 14.582 1.00 0.00 C ATOM 741 CG2 ILE A 44 -0.663 25.519 12.707 1.00 0.00 C ATOM 742 CD1 ILE A 44 -0.582 24.683 15.727 1.00 0.00 C ATOM 0 H ILE A 44 0.899 21.518 12.362 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.691 22.898 12.084 1.00 0.00 H new ATOM 0 HB ILE A 44 0.802 24.101 13.375 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.066 23.895 14.438 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.792 22.765 14.854 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.418 26.262 13.466 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.110 25.737 11.794 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.733 25.551 12.500 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.132 24.393 16.622 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.488 24.575 15.907 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.806 25.722 15.484 1.00 0.00 H new ATOM 754 N PHE A 45 -0.906 23.606 9.812 1.00 0.00 N ATOM 755 CA PHE A 45 -0.539 24.056 8.453 1.00 0.00 C ATOM 756 C PHE A 45 -1.273 25.371 8.170 1.00 0.00 C ATOM 757 O PHE A 45 -2.489 25.414 8.286 1.00 0.00 O ATOM 758 CB PHE A 45 -0.930 22.972 7.409 1.00 0.00 C ATOM 759 CG PHE A 45 -0.702 23.357 5.935 1.00 0.00 C ATOM 760 CD1 PHE A 45 0.565 23.260 5.355 1.00 0.00 C ATOM 761 CD2 PHE A 45 -1.757 23.801 5.129 1.00 0.00 C ATOM 762 CE1 PHE A 45 0.771 23.588 4.028 1.00 0.00 C ATOM 763 CE2 PHE A 45 -1.548 24.126 3.802 1.00 0.00 C ATOM 764 CZ PHE A 45 -0.285 24.021 3.252 1.00 0.00 C ATOM 0 H PHE A 45 -1.913 23.520 9.947 1.00 0.00 H new ATOM 0 HA PHE A 45 0.537 24.214 8.383 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.362 22.066 7.622 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.983 22.727 7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.398 22.923 5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.748 23.891 5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.758 23.505 3.598 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.374 24.463 3.193 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.124 24.278 2.215 1.00 0.00 H new ATOM 774 N ALA A 46 -0.522 26.435 7.845 1.00 0.00 N ATOM 775 CA ALA A 46 -1.081 27.758 7.472 1.00 0.00 C ATOM 776 C ALA A 46 -1.945 28.379 8.606 1.00 0.00 C ATOM 777 O ALA A 46 -2.827 29.204 8.343 1.00 0.00 O ATOM 778 CB ALA A 46 -1.866 27.668 6.139 1.00 0.00 C ATOM 0 H ALA A 46 0.498 26.408 7.831 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.239 28.434 7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.267 28.650 5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.198 27.333 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.686 26.958 6.247 1.00 0.00 H new ATOM 784 N GLY A 47 -1.658 27.988 9.865 1.00 0.00 N ATOM 785 CA GLY A 47 -2.337 28.534 11.044 1.00 0.00 C ATOM 786 C GLY A 47 -3.452 27.635 11.582 1.00 0.00 C ATOM 787 O GLY A 47 -3.827 27.742 12.758 1.00 0.00 O ATOM 0 H GLY A 47 -0.951 27.287 10.086 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.602 28.698 11.832 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.757 29.508 10.792 1.00 0.00 H new ATOM 791 N LYS A 48 -3.984 26.736 10.735 1.00 0.00 N ATOM 792 CA LYS A 48 -5.100 25.841 11.111 1.00 0.00 C ATOM 793 C LYS A 48 -4.537 24.521 11.675 1.00 0.00 C ATOM 794 O LYS A 48 -3.583 23.955 11.122 1.00 0.00 O ATOM 795 CB LYS A 48 -6.030 25.595 9.877 1.00 0.00 C ATOM 796 CG LYS A 48 -5.435 24.694 8.757 1.00 0.00 C ATOM 797 CD LYS A 48 -5.936 25.038 7.336 1.00 0.00 C ATOM 798 CE LYS A 48 -5.538 26.452 6.889 1.00 0.00 C ATOM 799 NZ LYS A 48 -6.036 26.758 5.526 1.00 0.00 N ATOM 0 H LYS A 48 -3.658 26.607 9.777 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.703 26.310 11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.958 25.143 10.228 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.290 26.560 9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.348 24.778 8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.679 23.654 8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.534 24.312 6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.022 24.945 7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.936 27.182 7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.452 26.548 6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.748 27.721 5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.636 26.077 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.074 26.691 5.512 1.00 0.00 H new ATOM 813 N GLN A 49 -5.106 24.057 12.804 1.00 0.00 N ATOM 814 CA GLN A 49 -4.712 22.776 13.427 1.00 0.00 C ATOM 815 C GLN A 49 -5.359 21.630 12.629 1.00 0.00 C ATOM 816 O GLN A 49 -6.520 21.734 12.211 1.00 0.00 O ATOM 817 CB GLN A 49 -5.123 22.749 14.938 1.00 0.00 C ATOM 818 CG GLN A 49 -4.276 21.829 15.868 1.00 0.00 C ATOM 819 CD GLN A 49 -4.446 20.314 15.665 1.00 0.00 C ATOM 820 OE1 GLN A 49 -3.499 19.541 15.841 1.00 0.00 O ATOM 821 NE2 GLN A 49 -5.655 19.872 15.331 1.00 0.00 N ATOM 0 H GLN A 49 -5.843 24.552 13.306 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.629 22.656 13.399 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.071 23.767 15.325 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.165 22.435 15.004 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.224 22.077 15.729 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.525 22.066 16.902 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.419 20.533 15.192 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.818 18.872 15.214 1.00 0.00 H new ATOM 830 N LEU A 50 -4.602 20.545 12.422 1.00 0.00 N ATOM 831 CA LEU A 50 -5.000 19.457 11.534 1.00 0.00 C ATOM 832 C LEU A 50 -5.755 18.357 12.312 1.00 0.00 C ATOM 833 O LEU A 50 -5.219 17.764 13.261 1.00 0.00 O ATOM 834 CB LEU A 50 -3.761 18.879 10.817 1.00 0.00 C ATOM 835 CG LEU A 50 -2.785 19.907 10.150 1.00 0.00 C ATOM 836 CD1 LEU A 50 -1.684 19.177 9.371 1.00 0.00 C ATOM 837 CD2 LEU A 50 -3.524 20.937 9.266 1.00 0.00 C ATOM 0 H LEU A 50 -3.696 20.401 12.868 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.681 19.854 10.781 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.194 18.292 11.540 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.106 18.189 10.047 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.316 20.478 10.951 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.016 19.907 8.915 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.117 18.542 10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.136 18.562 8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.801 21.625 8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.058 20.417 8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.235 21.496 9.875 1.00 0.00 H new ATOM 849 N GLU A 51 -6.993 18.095 11.873 1.00 0.00 N ATOM 850 CA GLU A 51 -7.907 17.135 12.495 1.00 0.00 C ATOM 851 C GLU A 51 -7.519 15.701 12.090 1.00 0.00 C ATOM 852 O GLU A 51 -7.277 15.438 10.909 1.00 0.00 O ATOM 853 CB GLU A 51 -9.354 17.452 12.034 1.00 0.00 C ATOM 854 CG GLU A 51 -10.444 16.523 12.597 1.00 0.00 C ATOM 855 CD GLU A 51 -11.832 16.788 11.992 1.00 0.00 C ATOM 856 OE1 GLU A 51 -12.428 17.844 12.289 1.00 0.00 O ATOM 857 OE2 GLU A 51 -12.339 15.944 11.220 1.00 0.00 O ATOM 0 H GLU A 51 -7.394 18.557 11.056 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.845 17.214 13.580 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.592 18.477 12.318 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.389 17.407 10.945 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.163 15.487 12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.496 16.647 13.679 1.00 0.00 H new ATOM 864 N ASP A 52 -7.561 14.783 13.067 1.00 0.00 N ATOM 865 CA ASP A 52 -7.086 13.392 12.923 1.00 0.00 C ATOM 866 C ASP A 52 -7.866 12.626 11.848 1.00 0.00 C ATOM 867 O ASP A 52 -7.270 11.891 11.055 1.00 0.00 O ATOM 868 CB ASP A 52 -7.203 12.655 14.281 1.00 0.00 C ATOM 869 CG ASP A 52 -6.237 13.199 15.337 1.00 0.00 C ATOM 870 OD1 ASP A 52 -6.418 14.354 15.784 1.00 0.00 O ATOM 871 OD2 ASP A 52 -5.277 12.499 15.709 1.00 0.00 O ATOM 0 H ASP A 52 -7.931 14.986 13.996 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.043 13.430 12.609 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.225 12.743 14.650 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.009 11.593 14.131 1.00 0.00 H new ATOM 876 N GLY A 53 -9.195 12.819 11.845 1.00 0.00 N ATOM 877 CA GLY A 53 -10.093 12.133 10.918 1.00 0.00 C ATOM 878 C GLY A 53 -9.928 12.582 9.466 1.00 0.00 C ATOM 879 O GLY A 53 -10.231 11.819 8.538 1.00 0.00 O ATOM 0 H GLY A 53 -9.671 13.454 12.486 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.916 11.059 10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.124 12.305 11.228 1.00 0.00 H new ATOM 883 N ARG A 54 -9.441 13.826 9.269 1.00 0.00 N ATOM 884 CA ARG A 54 -9.230 14.405 7.924 1.00 0.00 C ATOM 885 C ARG A 54 -7.943 13.887 7.272 1.00 0.00 C ATOM 886 O ARG A 54 -7.200 13.116 7.871 1.00 0.00 O ATOM 887 CB ARG A 54 -9.210 15.951 8.008 1.00 0.00 C ATOM 888 CG ARG A 54 -10.569 16.555 8.407 1.00 0.00 C ATOM 889 CD ARG A 54 -10.554 18.084 8.410 1.00 0.00 C ATOM 890 NE ARG A 54 -11.850 18.664 8.789 1.00 0.00 N ATOM 891 CZ ARG A 54 -12.368 19.785 8.266 1.00 0.00 C ATOM 892 NH1 ARG A 54 -11.757 20.416 7.268 1.00 0.00 N ATOM 893 NH2 ARG A 54 -13.521 20.253 8.720 1.00 0.00 N ATOM 0 H ARG A 54 -9.185 14.453 10.031 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.062 14.090 7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.456 16.259 8.732 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.909 16.357 7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.335 16.204 7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.845 16.196 9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.788 18.434 9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.276 18.442 7.419 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.395 18.179 9.502 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.883 20.048 6.891 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.162 21.268 6.879 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.013 19.761 9.466 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.917 21.105 8.324 1.00 0.00 H new ATOM 907 N THR A 55 -7.708 14.320 6.026 1.00 0.00 N ATOM 908 CA THR A 55 -6.530 13.938 5.231 1.00 0.00 C ATOM 909 C THR A 55 -5.646 15.165 4.969 1.00 0.00 C ATOM 910 O THR A 55 -6.081 16.308 5.183 1.00 0.00 O ATOM 911 CB THR A 55 -6.968 13.313 3.871 1.00 0.00 C ATOM 912 OG1 THR A 55 -7.871 14.209 3.200 1.00 0.00 O ATOM 913 CG2 THR A 55 -7.643 11.944 4.047 1.00 0.00 C ATOM 0 H THR A 55 -8.338 14.954 5.534 1.00 0.00 H new ATOM 0 HA THR A 55 -5.962 13.198 5.796 1.00 0.00 H new ATOM 0 HB THR A 55 -6.068 13.161 3.276 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.145 13.817 2.345 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.929 11.551 3.071 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.948 11.254 4.526 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.532 12.054 4.669 1.00 0.00 H new ATOM 921 N LEU A 56 -4.412 14.912 4.490 1.00 0.00 N ATOM 922 CA LEU A 56 -3.458 15.974 4.121 1.00 0.00 C ATOM 923 C LEU A 56 -4.088 16.932 3.087 1.00 0.00 C ATOM 924 O LEU A 56 -4.219 18.133 3.341 1.00 0.00 O ATOM 925 CB LEU A 56 -2.140 15.358 3.555 1.00 0.00 C ATOM 926 CG LEU A 56 -1.228 14.594 4.571 1.00 0.00 C ATOM 927 CD1 LEU A 56 -0.031 13.924 3.855 1.00 0.00 C ATOM 928 CD2 LEU A 56 -0.731 15.531 5.703 1.00 0.00 C ATOM 0 H LEU A 56 -4.050 13.969 4.349 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.216 16.542 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.404 14.671 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.554 16.161 3.109 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.835 13.811 5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.584 13.401 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.401 13.212 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.568 14.686 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.100 14.968 6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.156 16.350 5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.587 15.934 6.244 1.00 0.00 H new ATOM 940 N SER A 57 -4.541 16.354 1.962 1.00 0.00 N ATOM 941 CA SER A 57 -5.073 17.100 0.811 1.00 0.00 C ATOM 942 C SER A 57 -6.382 17.844 1.158 1.00 0.00 C ATOM 943 O SER A 57 -6.757 18.788 0.448 1.00 0.00 O ATOM 944 CB SER A 57 -5.276 16.136 -0.379 1.00 0.00 C ATOM 945 OG SER A 57 -5.687 16.813 -1.554 1.00 0.00 O ATOM 0 H SER A 57 -4.548 15.343 1.825 1.00 0.00 H new ATOM 0 HA SER A 57 -4.347 17.864 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.345 15.604 -0.576 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.022 15.387 -0.114 1.00 0.00 H new ATOM 0 HG SER A 57 -6.151 17.641 -1.309 1.00 0.00 H new ATOM 951 N ASP A 58 -7.055 17.436 2.262 1.00 0.00 N ATOM 952 CA ASP A 58 -8.245 18.154 2.777 1.00 0.00 C ATOM 953 C ASP A 58 -7.829 19.556 3.248 1.00 0.00 C ATOM 954 O ASP A 58 -8.467 20.566 2.917 1.00 0.00 O ATOM 955 CB ASP A 58 -8.879 17.365 3.952 1.00 0.00 C ATOM 956 CG ASP A 58 -10.179 17.997 4.498 1.00 0.00 C ATOM 957 OD1 ASP A 58 -10.108 18.969 5.284 1.00 0.00 O ATOM 958 OD2 ASP A 58 -11.278 17.515 4.144 1.00 0.00 O ATOM 0 H ASP A 58 -6.794 16.616 2.810 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.984 18.244 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.091 16.348 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.153 17.292 4.762 1.00 0.00 H new ATOM 963 N TYR A 59 -6.717 19.589 4.004 1.00 0.00 N ATOM 964 CA TYR A 59 -6.135 20.822 4.542 1.00 0.00 C ATOM 965 C TYR A 59 -5.174 21.501 3.534 1.00 0.00 C ATOM 966 O TYR A 59 -4.359 22.337 3.934 1.00 0.00 O ATOM 967 CB TYR A 59 -5.403 20.501 5.868 1.00 0.00 C ATOM 968 CG TYR A 59 -6.330 20.441 7.079 1.00 0.00 C ATOM 969 CD1 TYR A 59 -6.959 21.600 7.528 1.00 0.00 C ATOM 970 CD2 TYR A 59 -6.557 19.264 7.784 1.00 0.00 C ATOM 971 CE1 TYR A 59 -7.772 21.599 8.633 1.00 0.00 C ATOM 972 CE2 TYR A 59 -7.377 19.260 8.886 1.00 0.00 C ATOM 973 CZ TYR A 59 -7.983 20.433 9.310 1.00 0.00 C ATOM 974 OH TYR A 59 -8.786 20.437 10.431 1.00 0.00 O ATOM 0 H TYR A 59 -6.196 18.750 4.258 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.942 21.530 4.729 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.889 19.545 5.767 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.638 21.258 6.043 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.802 22.524 6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.085 18.347 7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.241 22.514 8.964 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.550 18.340 9.424 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.267 20.742 11.204 1.00 0.00 H new ATOM 984 N ASN A 60 -5.292 21.136 2.232 1.00 0.00 N ATOM 985 CA ASN A 60 -4.514 21.737 1.117 1.00 0.00 C ATOM 986 C ASN A 60 -3.018 21.325 1.170 1.00 0.00 C ATOM 987 O ASN A 60 -2.171 21.951 0.530 1.00 0.00 O ATOM 988 CB ASN A 60 -4.652 23.301 1.067 1.00 0.00 C ATOM 989 CG ASN A 60 -6.084 23.853 0.872 1.00 0.00 C ATOM 990 OD1 ASN A 60 -7.085 23.268 1.519 1.00 0.00 O flip ATOM 991 ND2 ASN A 60 -6.274 24.856 0.192 1.00 0.00 N flip ATOM 0 H ASN A 60 -5.937 20.408 1.923 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.944 21.339 0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.250 23.710 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.027 23.675 0.256 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.495 25.294 -0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.211 25.252 0.118 1.00 0.00 H new ATOM 998 N ILE A 61 -2.715 20.246 1.905 1.00 0.00 N ATOM 999 CA ILE A 61 -1.345 19.706 2.041 1.00 0.00 C ATOM 1000 C ILE A 61 -1.133 18.627 0.965 1.00 0.00 C ATOM 1001 O ILE A 61 -1.748 17.555 1.018 1.00 0.00 O ATOM 1002 CB ILE A 61 -1.124 19.063 3.461 1.00 0.00 C ATOM 1003 CG1 ILE A 61 -1.613 20.023 4.586 1.00 0.00 C ATOM 1004 CG2 ILE A 61 0.355 18.640 3.685 1.00 0.00 C ATOM 1005 CD1 ILE A 61 -1.933 19.330 5.897 1.00 0.00 C ATOM 0 H ILE A 61 -3.414 19.717 2.427 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.634 20.523 1.920 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.724 18.154 3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.846 20.777 4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.503 20.549 4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.462 18.201 4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.642 17.907 2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.000 19.515 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.266 20.068 6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.723 18.596 5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.041 18.828 6.270 1.00 0.00 H new ATOM 1017 N GLN A 62 -0.294 18.927 -0.018 1.00 0.00 N ATOM 1018 CA GLN A 62 0.103 17.961 -1.051 1.00 0.00 C ATOM 1019 C GLN A 62 1.470 17.366 -0.683 1.00 0.00 C ATOM 1020 O GLN A 62 2.012 17.649 0.399 1.00 0.00 O ATOM 1021 CB GLN A 62 0.144 18.637 -2.450 1.00 0.00 C ATOM 1022 CG GLN A 62 1.212 19.737 -2.613 1.00 0.00 C ATOM 1023 CD GLN A 62 1.405 20.151 -4.066 1.00 0.00 C ATOM 1024 OE1 GLN A 62 0.775 21.090 -4.555 1.00 0.00 O ATOM 1025 NE2 GLN A 62 2.268 19.430 -4.770 1.00 0.00 N ATOM 0 H GLN A 62 0.134 19.846 -0.127 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.633 17.158 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.318 17.868 -3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.835 19.069 -2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.924 20.609 -2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.160 19.381 -2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.770 18.660 -4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.430 19.646 -5.754 1.00 0.00 H new ATOM 1034 N LYS A 63 2.030 16.545 -1.579 1.00 0.00 N ATOM 1035 CA LYS A 63 3.346 15.949 -1.377 1.00 0.00 C ATOM 1036 C LYS A 63 4.432 17.035 -1.361 1.00 0.00 C ATOM 1037 O LYS A 63 4.392 17.989 -2.153 1.00 0.00 O ATOM 1038 CB LYS A 63 3.652 14.876 -2.450 1.00 0.00 C ATOM 1039 CG LYS A 63 3.722 15.372 -3.913 1.00 0.00 C ATOM 1040 CD LYS A 63 4.166 14.253 -4.890 1.00 0.00 C ATOM 1041 CE LYS A 63 5.567 13.697 -4.558 1.00 0.00 C ATOM 1042 NZ LYS A 63 5.937 12.554 -5.433 1.00 0.00 N ATOM 0 H LYS A 63 1.584 16.279 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 63 3.343 15.450 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.604 14.406 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.888 14.101 -2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.744 15.748 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.419 16.207 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.440 13.440 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.166 14.643 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.306 14.490 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.592 13.378 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.966 12.408 -5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.454 11.694 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.651 12.759 -6.412 1.00 0.00 H new ATOM 1056 N GLU A 64 5.340 16.894 -0.382 1.00 0.00 N ATOM 1057 CA GLU A 64 6.507 17.762 -0.177 1.00 0.00 C ATOM 1058 C GLU A 64 6.096 19.176 0.280 1.00 0.00 C ATOM 1059 O GLU A 64 6.907 20.108 0.244 1.00 0.00 O ATOM 1060 CB GLU A 64 7.434 17.756 -1.434 1.00 0.00 C ATOM 1061 CG GLU A 64 7.922 16.340 -1.832 1.00 0.00 C ATOM 1062 CD GLU A 64 8.784 16.330 -3.101 1.00 0.00 C ATOM 1063 OE1 GLU A 64 8.220 16.359 -4.215 1.00 0.00 O ATOM 1064 OE2 GLU A 64 10.028 16.307 -2.995 1.00 0.00 O ATOM 0 H GLU A 64 5.278 16.148 0.310 1.00 0.00 H new ATOM 0 HA GLU A 64 7.099 17.354 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.897 18.197 -2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.300 18.390 -1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.496 15.916 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.057 15.694 -1.984 1.00 0.00 H new ATOM 1071 N SER A 65 4.837 19.307 0.764 1.00 0.00 N ATOM 1072 CA SER A 65 4.381 20.515 1.458 1.00 0.00 C ATOM 1073 C SER A 65 5.025 20.584 2.851 1.00 0.00 C ATOM 1074 O SER A 65 5.162 19.552 3.533 1.00 0.00 O ATOM 1075 CB SER A 65 2.844 20.529 1.584 1.00 0.00 C ATOM 1076 OG SER A 65 2.230 20.549 0.311 1.00 0.00 O ATOM 0 H SER A 65 4.124 18.582 0.681 1.00 0.00 H new ATOM 0 HA SER A 65 4.682 21.386 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.513 19.650 2.137 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.531 21.402 2.156 1.00 0.00 H new ATOM 0 HG SER A 65 1.559 21.263 0.283 1.00 0.00 H new ATOM 1082 N THR A 66 5.444 21.792 3.250 1.00 0.00 N ATOM 1083 CA THR A 66 6.045 22.027 4.562 1.00 0.00 C ATOM 1084 C THR A 66 5.006 22.653 5.504 1.00 0.00 C ATOM 1085 O THR A 66 4.357 23.647 5.160 1.00 0.00 O ATOM 1086 CB THR A 66 7.314 22.925 4.459 1.00 0.00 C ATOM 1087 OG1 THR A 66 8.233 22.342 3.517 1.00 0.00 O ATOM 1088 CG2 THR A 66 8.019 23.091 5.826 1.00 0.00 C ATOM 0 H THR A 66 5.375 22.629 2.672 1.00 0.00 H new ATOM 0 HA THR A 66 6.363 21.068 4.970 1.00 0.00 H new ATOM 0 HB THR A 66 6.998 23.913 4.125 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.032 22.905 3.448 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.898 23.724 5.707 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.332 23.553 6.536 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.324 22.113 6.199 1.00 0.00 H new ATOM 1096 N LEU A 67 4.855 22.046 6.683 1.00 0.00 N ATOM 1097 CA LEU A 67 3.897 22.467 7.713 1.00 0.00 C ATOM 1098 C LEU A 67 4.603 22.499 9.067 1.00 0.00 C ATOM 1099 O LEU A 67 5.724 22.016 9.199 1.00 0.00 O ATOM 1100 CB LEU A 67 2.642 21.536 7.754 1.00 0.00 C ATOM 1101 CG LEU A 67 2.881 19.987 7.830 1.00 0.00 C ATOM 1102 CD1 LEU A 67 1.635 19.256 8.375 1.00 0.00 C ATOM 1103 CD2 LEU A 67 3.274 19.392 6.449 1.00 0.00 C ATOM 0 H LEU A 67 5.405 21.232 6.956 1.00 0.00 H new ATOM 0 HA LEU A 67 3.535 23.466 7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.039 21.824 8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.045 21.739 6.865 1.00 0.00 H new ATOM 0 HG LEU A 67 3.713 19.833 8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.831 18.185 8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.407 19.622 9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.786 19.445 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.430 18.318 6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.475 19.579 5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.193 19.862 6.099 1.00 0.00 H new ATOM 1115 N HIS A 68 3.941 23.094 10.059 1.00 0.00 N ATOM 1116 CA HIS A 68 4.501 23.291 11.406 1.00 0.00 C ATOM 1117 C HIS A 68 4.104 22.147 12.351 1.00 0.00 C ATOM 1118 O HIS A 68 3.057 21.504 12.184 1.00 0.00 O ATOM 1119 CB HIS A 68 4.043 24.658 11.980 1.00 0.00 C ATOM 1120 CG HIS A 68 4.565 25.840 11.198 1.00 0.00 C ATOM 1121 ND1 HIS A 68 5.613 26.622 11.632 1.00 0.00 N ATOM 1122 CD2 HIS A 68 4.183 26.367 10.009 1.00 0.00 C ATOM 1123 CE1 HIS A 68 5.856 27.562 10.746 1.00 0.00 C ATOM 1124 NE2 HIS A 68 5.003 27.432 9.750 1.00 0.00 N ATOM 0 H HIS A 68 2.994 23.457 9.955 1.00 0.00 H new ATOM 0 HA HIS A 68 5.588 23.288 11.324 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.954 24.692 11.993 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.376 24.740 13.015 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.379 26.012 9.381 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.626 28.315 10.822 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.961 28.027 8.923 1.00 0.00 H new ATOM 1133 N LEU A 69 4.969 21.931 13.347 1.00 0.00 N ATOM 1134 CA LEU A 69 4.814 20.918 14.387 1.00 0.00 C ATOM 1135 C LEU A 69 5.136 21.606 15.711 1.00 0.00 C ATOM 1136 O LEU A 69 6.171 22.275 15.842 1.00 0.00 O ATOM 1137 CB LEU A 69 5.779 19.717 14.115 1.00 0.00 C ATOM 1138 CG LEU A 69 5.525 18.356 14.864 1.00 0.00 C ATOM 1139 CD1 LEU A 69 5.863 18.432 16.365 1.00 0.00 C ATOM 1140 CD2 LEU A 69 4.082 17.851 14.635 1.00 0.00 C ATOM 0 H LEU A 69 5.824 22.477 13.452 1.00 0.00 H new ATOM 0 HA LEU A 69 3.803 20.510 14.407 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.759 19.513 13.044 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.790 20.044 14.358 1.00 0.00 H new ATOM 0 HG LEU A 69 6.210 17.628 14.430 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.669 17.466 16.831 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.915 18.690 16.488 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.245 19.194 16.839 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.938 16.909 15.165 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.374 18.590 15.009 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.915 17.697 13.569 1.00 0.00 H new ATOM 1152 N VAL A 70 4.239 21.450 16.678 1.00 0.00 N ATOM 1153 CA VAL A 70 4.387 22.022 18.010 1.00 0.00 C ATOM 1154 C VAL A 70 4.593 20.907 19.030 1.00 0.00 C ATOM 1155 O VAL A 70 3.731 20.041 19.204 1.00 0.00 O ATOM 1156 CB VAL A 70 3.145 22.897 18.386 1.00 0.00 C ATOM 1157 CG1 VAL A 70 3.252 23.425 19.842 1.00 0.00 C ATOM 1158 CG2 VAL A 70 2.981 24.049 17.354 1.00 0.00 C ATOM 0 H VAL A 70 3.378 20.916 16.557 1.00 0.00 H new ATOM 0 HA VAL A 70 5.262 22.672 18.016 1.00 0.00 H new ATOM 0 HB VAL A 70 2.248 22.279 18.346 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.375 24.030 20.075 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.306 22.583 20.532 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.150 24.034 19.943 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.115 24.655 17.620 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.875 24.672 17.359 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.837 23.628 16.359 1.00 0.00 H new ATOM 1168 N LEU A 71 5.758 20.940 19.667 1.00 0.00 N ATOM 1169 CA LEU A 71 6.121 20.022 20.739 1.00 0.00 C ATOM 1170 C LEU A 71 5.503 20.484 22.071 1.00 0.00 C ATOM 1171 O LEU A 71 5.256 21.681 22.272 1.00 0.00 O ATOM 1172 CB LEU A 71 7.661 19.942 20.834 1.00 0.00 C ATOM 1173 CG LEU A 71 8.389 19.350 19.586 1.00 0.00 C ATOM 1174 CD1 LEU A 71 9.921 19.414 19.755 1.00 0.00 C ATOM 1175 CD2 LEU A 71 7.924 17.901 19.300 1.00 0.00 C ATOM 0 H LEU A 71 6.489 21.617 19.449 1.00 0.00 H new ATOM 0 HA LEU A 71 5.729 19.028 20.523 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.048 20.945 21.015 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.922 19.338 21.703 1.00 0.00 H new ATOM 0 HG LEU A 71 8.120 19.962 18.725 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.402 18.995 18.871 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.230 20.452 19.879 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.214 18.840 20.634 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.449 17.516 18.425 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.145 17.271 20.162 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.850 17.894 19.111 1.00 0.00 H new ATOM 1187 N ARG A 72 5.228 19.513 22.949 1.00 0.00 N ATOM 1188 CA ARG A 72 4.676 19.756 24.297 1.00 0.00 C ATOM 1189 C ARG A 72 5.630 19.179 25.357 1.00 0.00 C ATOM 1190 O ARG A 72 5.950 19.844 26.341 1.00 0.00 O ATOM 1191 CB ARG A 72 3.280 19.088 24.434 1.00 0.00 C ATOM 1192 CG ARG A 72 2.177 19.647 23.503 1.00 0.00 C ATOM 1193 CD ARG A 72 0.845 18.892 23.679 1.00 0.00 C ATOM 1194 NE ARG A 72 0.362 18.962 25.073 1.00 0.00 N ATOM 1195 CZ ARG A 72 -0.541 18.144 25.650 1.00 0.00 C ATOM 1196 NH1 ARG A 72 -1.042 17.094 25.008 1.00 0.00 N ATOM 1197 NH2 ARG A 72 -0.939 18.389 26.888 1.00 0.00 N ATOM 0 H ARG A 72 5.382 18.525 22.747 1.00 0.00 H new ATOM 0 HA ARG A 72 4.570 20.830 24.447 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.387 18.021 24.241 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.947 19.193 25.466 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.026 20.706 23.713 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.504 19.572 22.466 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.095 19.316 23.011 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.976 17.849 23.390 1.00 0.00 H new ATOM 0 HE ARG A 72 0.750 19.703 25.657 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.745 16.890 24.054 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.724 16.492 25.469 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.563 19.190 27.395 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.622 17.777 27.335 1.00 0.00 H new ATOM 1211 N LEU A 73 6.024 17.898 25.146 1.00 0.00 N ATOM 1212 CA LEU A 73 6.893 17.116 26.069 1.00 0.00 C ATOM 1213 C LEU A 73 6.315 17.060 27.500 1.00 0.00 C ATOM 1214 O LEU A 73 7.050 16.913 28.476 1.00 0.00 O ATOM 1215 CB LEU A 73 8.377 17.632 26.052 1.00 0.00 C ATOM 1216 CG LEU A 73 9.262 17.206 24.827 1.00 0.00 C ATOM 1217 CD1 LEU A 73 9.396 15.669 24.725 1.00 0.00 C ATOM 1218 CD2 LEU A 73 8.745 17.806 23.504 1.00 0.00 C ATOM 0 H LEU A 73 5.745 17.370 24.319 1.00 0.00 H new ATOM 0 HA LEU A 73 6.910 16.091 25.698 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.358 18.721 26.095 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.867 17.286 26.962 1.00 0.00 H new ATOM 0 HG LEU A 73 10.257 17.615 25.003 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.015 15.414 23.865 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.859 15.283 25.633 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.408 15.225 24.605 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.387 17.485 22.684 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.726 17.464 23.323 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.756 18.894 23.569 1.00 0.00 H new ATOM 1230 N ARG A 74 4.974 17.093 27.593 1.00 0.00 N ATOM 1231 CA ARG A 74 4.252 17.103 28.885 1.00 0.00 C ATOM 1232 C ARG A 74 4.259 15.707 29.540 1.00 0.00 C ATOM 1233 O ARG A 74 4.115 15.584 30.760 1.00 0.00 O ATOM 1234 CB ARG A 74 2.799 17.610 28.697 1.00 0.00 C ATOM 1235 CG ARG A 74 2.676 19.018 28.068 1.00 0.00 C ATOM 1236 CD ARG A 74 3.524 20.094 28.778 1.00 0.00 C ATOM 1237 NE ARG A 74 3.233 20.190 30.221 1.00 0.00 N ATOM 1238 CZ ARG A 74 3.947 20.902 31.113 1.00 0.00 C ATOM 1239 NH1 ARG A 74 5.013 21.609 30.740 1.00 0.00 N ATOM 1240 NH2 ARG A 74 3.591 20.892 32.388 1.00 0.00 N ATOM 0 H ARG A 74 4.359 17.113 26.780 1.00 0.00 H new ATOM 0 HA ARG A 74 4.774 17.789 29.553 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.260 16.900 28.070 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.304 17.617 29.668 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.975 18.965 27.021 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.630 19.323 28.086 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.581 19.867 28.639 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.342 21.061 28.310 1.00 0.00 H new ATOM 0 HE ARG A 74 2.425 19.675 30.571 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.302 21.618 29.762 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.540 22.141 31.433 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.782 20.348 32.687 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.126 21.428 33.071 1.00 0.00 H new ATOM 1254 N GLY A 75 4.414 14.664 28.706 1.00 0.00 N ATOM 1255 CA GLY A 75 4.610 13.290 29.176 1.00 0.00 C ATOM 1256 C GLY A 75 6.074 12.862 29.096 1.00 0.00 C ATOM 1257 O GLY A 75 6.378 11.665 29.178 1.00 0.00 O ATOM 0 H GLY A 75 4.406 14.754 27.690 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.263 13.206 30.206 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.001 12.612 28.578 1.00 0.00 H new ATOM 1261 N GLY A 76 6.985 13.851 28.942 1.00 0.00 N ATOM 1262 CA GLY A 76 8.413 13.586 28.765 1.00 0.00 C ATOM 1263 C GLY A 76 8.746 13.080 27.362 1.00 0.00 C ATOM 1264 O GLY A 76 7.944 13.252 26.430 1.00 0.00 O ATOM 0 H GLY A 76 6.744 14.842 28.938 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.975 14.499 28.961 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.736 12.848 29.500 1.00 0.00 H new TER 1268 GLY A 76 ATOM 1269 N GLY B 195 17.139 18.093 24.976 1.00 0.00 N ATOM 1270 CA GLY B 195 17.875 17.899 26.231 1.00 0.00 C ATOM 1271 C GLY B 195 17.451 18.900 27.297 1.00 0.00 C ATOM 1272 O GLY B 195 17.578 18.633 28.497 1.00 0.00 O ATOM 0 HA2 GLY B 195 17.708 16.886 26.597 1.00 0.00 H new ATOM 0 HA3 GLY B 195 18.944 17.998 26.044 1.00 0.00 H new ATOM 1276 N SER B 196 16.947 20.067 26.851 1.00 0.00 N ATOM 1277 CA SER B 196 16.473 21.126 27.748 1.00 0.00 C ATOM 1278 C SER B 196 15.047 20.802 28.250 1.00 0.00 C ATOM 1279 O SER B 196 14.061 20.992 27.526 1.00 0.00 O ATOM 1280 CB SER B 196 16.526 22.494 27.028 1.00 0.00 C ATOM 1281 OG SER B 196 17.835 22.755 26.538 1.00 0.00 O ATOM 0 H SER B 196 16.859 20.297 25.861 1.00 0.00 H new ATOM 0 HA SER B 196 17.127 21.181 28.619 1.00 0.00 H new ATOM 0 HB2 SER B 196 15.815 22.503 26.202 1.00 0.00 H new ATOM 0 HB3 SER B 196 16.226 23.284 27.716 1.00 0.00 H new ATOM 0 HG SER B 196 17.847 23.624 26.085 1.00 0.00 H new ATOM 1287 N ARG B 197 14.970 20.248 29.476 1.00 0.00 N ATOM 1288 CA ARG B 197 13.691 19.951 30.166 1.00 0.00 C ATOM 1289 C ARG B 197 13.059 21.230 30.746 1.00 0.00 C ATOM 1290 O ARG B 197 11.874 21.241 31.096 1.00 0.00 O ATOM 1291 CB ARG B 197 13.932 18.912 31.298 1.00 0.00 C ATOM 1292 CG ARG B 197 14.955 19.359 32.378 1.00 0.00 C ATOM 1293 CD ARG B 197 15.264 18.258 33.405 1.00 0.00 C ATOM 1294 NE ARG B 197 15.751 17.034 32.752 1.00 0.00 N ATOM 1295 CZ ARG B 197 15.852 15.829 33.329 1.00 0.00 C ATOM 1296 NH1 ARG B 197 15.532 15.641 34.606 1.00 0.00 N ATOM 1297 NH2 ARG B 197 16.270 14.801 32.611 1.00 0.00 N ATOM 0 H ARG B 197 15.794 19.992 30.021 1.00 0.00 H new ATOM 0 HA ARG B 197 12.997 19.536 29.435 1.00 0.00 H new ATOM 0 HB2 ARG B 197 12.981 18.697 31.784 1.00 0.00 H new ATOM 0 HB3 ARG B 197 14.279 17.981 30.851 1.00 0.00 H new ATOM 0 HG2 ARG B 197 15.881 19.663 31.890 1.00 0.00 H new ATOM 0 HG3 ARG B 197 14.567 20.235 32.898 1.00 0.00 H new ATOM 0 HD2 ARG B 197 16.012 18.617 34.111 1.00 0.00 H new ATOM 0 HD3 ARG B 197 14.366 18.032 33.980 1.00 0.00 H new ATOM 0 HE ARG B 197 16.037 17.109 31.776 1.00 0.00 H new ATOM 0 HH11 ARG B 197 15.201 16.424 35.169 1.00 0.00 H new ATOM 0 HH12 ARG B 197 15.618 14.714 35.022 1.00 0.00 H new ATOM 0 HH21 ARG B 197 16.512 14.930 31.628 1.00 0.00 H new ATOM 0 HH22 ARG B 197 16.351 13.879 33.039 1.00 0.00 H new ATOM 1311 N GLN B 198 13.876 22.294 30.850 1.00 0.00 N ATOM 1312 CA GLN B 198 13.455 23.603 31.375 1.00 0.00 C ATOM 1313 C GLN B 198 12.504 24.337 30.399 1.00 0.00 C ATOM 1314 O GLN B 198 12.257 23.870 29.274 1.00 0.00 O ATOM 1315 CB GLN B 198 14.709 24.472 31.663 1.00 0.00 C ATOM 1316 CG GLN B 198 15.677 23.863 32.701 1.00 0.00 C ATOM 1317 CD GLN B 198 16.929 24.714 32.952 1.00 0.00 C ATOM 1318 OE1 GLN B 198 17.400 25.436 32.070 1.00 0.00 O ATOM 1319 NE2 GLN B 198 17.486 24.626 34.150 1.00 0.00 N ATOM 0 H GLN B 198 14.856 22.268 30.569 1.00 0.00 H new ATOM 0 HA GLN B 198 12.902 23.436 32.300 1.00 0.00 H new ATOM 0 HB2 GLN B 198 15.249 24.632 30.730 1.00 0.00 H new ATOM 0 HB3 GLN B 198 14.385 25.451 32.016 1.00 0.00 H new ATOM 0 HG2 GLN B 198 15.146 23.727 33.643 1.00 0.00 H new ATOM 0 HG3 GLN B 198 15.983 22.873 32.362 1.00 0.00 H new ATOM 0 HE21 GLN B 198 17.075 24.021 34.860 1.00 0.00 H new ATOM 0 HE22 GLN B 198 18.326 25.164 34.362 1.00 0.00 H new ATOM 1328 N VAL B 199 11.983 25.486 30.868 1.00 0.00 N ATOM 1329 CA VAL B 199 11.077 26.361 30.103 1.00 0.00 C ATOM 1330 C VAL B 199 11.700 26.786 28.737 1.00 0.00 C ATOM 1331 O VAL B 199 12.587 27.648 28.672 1.00 0.00 O ATOM 1332 CB VAL B 199 10.654 27.605 30.987 1.00 0.00 C ATOM 1333 CG1 VAL B 199 11.876 28.331 31.609 1.00 0.00 C ATOM 1334 CG2 VAL B 199 9.754 28.589 30.204 1.00 0.00 C ATOM 0 H VAL B 199 12.183 25.838 31.804 1.00 0.00 H new ATOM 0 HA VAL B 199 10.175 25.800 29.859 1.00 0.00 H new ATOM 0 HB VAL B 199 10.065 27.208 31.814 1.00 0.00 H new ATOM 0 HG11 VAL B 199 11.532 29.176 32.205 1.00 0.00 H new ATOM 0 HG12 VAL B 199 12.426 27.638 32.245 1.00 0.00 H new ATOM 0 HG13 VAL B 199 12.529 28.690 30.814 1.00 0.00 H new ATOM 0 HG21 VAL B 199 9.487 29.428 30.847 1.00 0.00 H new ATOM 0 HG22 VAL B 199 10.292 28.958 29.331 1.00 0.00 H new ATOM 0 HG23 VAL B 199 8.848 28.076 29.882 1.00 0.00 H new ATOM 1344 N THR B 200 11.250 26.111 27.662 1.00 0.00 N ATOM 1345 CA THR B 200 11.754 26.317 26.293 1.00 0.00 C ATOM 1346 C THR B 200 11.005 27.475 25.610 1.00 0.00 C ATOM 1347 O THR B 200 9.772 27.498 25.602 1.00 0.00 O ATOM 1348 CB THR B 200 11.594 25.004 25.448 1.00 0.00 C ATOM 1349 OG1 THR B 200 12.278 23.922 26.109 1.00 0.00 O ATOM 1350 CG2 THR B 200 12.144 25.149 24.008 1.00 0.00 C ATOM 0 H THR B 200 10.520 25.401 27.721 1.00 0.00 H new ATOM 0 HA THR B 200 12.812 26.572 26.353 1.00 0.00 H new ATOM 0 HB THR B 200 10.526 24.799 25.371 1.00 0.00 H new ATOM 0 HG1 THR B 200 12.177 23.101 25.583 1.00 0.00 H new ATOM 0 HG21 THR B 200 12.007 24.211 23.470 1.00 0.00 H new ATOM 0 HG22 THR B 200 11.607 25.945 23.492 1.00 0.00 H new ATOM 0 HG23 THR B 200 13.206 25.393 24.047 1.00 0.00 H new ATOM 1358 N LYS B 201 11.766 28.433 25.058 1.00 0.00 N ATOM 1359 CA LYS B 201 11.217 29.577 24.313 1.00 0.00 C ATOM 1360 C LYS B 201 11.023 29.150 22.847 1.00 0.00 C ATOM 1361 O LYS B 201 11.963 28.682 22.195 1.00 0.00 O ATOM 1362 CB LYS B 201 12.155 30.827 24.401 1.00 0.00 C ATOM 1363 CG LYS B 201 12.289 31.498 25.800 1.00 0.00 C ATOM 1364 CD LYS B 201 12.998 30.608 26.848 1.00 0.00 C ATOM 1365 CE LYS B 201 13.242 31.325 28.182 1.00 0.00 C ATOM 1366 NZ LYS B 201 11.990 31.825 28.791 1.00 0.00 N ATOM 0 H LYS B 201 12.784 28.436 25.116 1.00 0.00 H new ATOM 0 HA LYS B 201 10.262 29.866 24.753 1.00 0.00 H new ATOM 0 HB2 LYS B 201 13.150 30.531 24.068 1.00 0.00 H new ATOM 0 HB3 LYS B 201 11.793 31.576 23.697 1.00 0.00 H new ATOM 0 HG2 LYS B 201 12.842 32.431 25.695 1.00 0.00 H new ATOM 0 HG3 LYS B 201 11.295 31.756 26.167 1.00 0.00 H new ATOM 0 HD2 LYS B 201 12.396 29.717 27.026 1.00 0.00 H new ATOM 0 HD3 LYS B 201 13.953 30.271 26.444 1.00 0.00 H new ATOM 0 HE2 LYS B 201 13.732 30.641 28.875 1.00 0.00 H new ATOM 0 HE3 LYS B 201 13.924 32.160 28.023 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 12.198 32.241 29.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 11.569 32.549 28.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 11.321 31.037 28.906 1.00 0.00 H new ATOM 1380 N VAL B 202 9.794 29.303 22.357 1.00 0.00 N ATOM 1381 CA VAL B 202 9.358 28.878 21.011 1.00 0.00 C ATOM 1382 C VAL B 202 8.409 29.947 20.434 1.00 0.00 C ATOM 1383 O VAL B 202 8.202 30.986 21.061 1.00 0.00 O ATOM 1384 CB VAL B 202 8.646 27.464 21.062 1.00 0.00 C ATOM 1385 CG1 VAL B 202 9.659 26.313 21.306 1.00 0.00 C ATOM 1386 CG2 VAL B 202 7.526 27.451 22.132 1.00 0.00 C ATOM 0 H VAL B 202 9.045 29.738 22.895 1.00 0.00 H new ATOM 0 HA VAL B 202 10.231 28.778 20.366 1.00 0.00 H new ATOM 0 HB VAL B 202 8.192 27.293 20.086 1.00 0.00 H new ATOM 0 HG11 VAL B 202 9.128 25.361 21.334 1.00 0.00 H new ATOM 0 HG12 VAL B 202 10.392 26.296 20.499 1.00 0.00 H new ATOM 0 HG13 VAL B 202 10.169 26.472 22.256 1.00 0.00 H new ATOM 0 HG21 VAL B 202 7.051 26.470 22.149 1.00 0.00 H new ATOM 0 HG22 VAL B 202 7.956 27.664 23.111 1.00 0.00 H new ATOM 0 HG23 VAL B 202 6.782 28.210 21.890 1.00 0.00 H new ATOM 1396 N ASP B 203 7.851 29.704 19.235 1.00 0.00 N ATOM 1397 CA ASP B 203 6.916 30.656 18.577 1.00 0.00 C ATOM 1398 C ASP B 203 5.553 29.985 18.340 1.00 0.00 C ATOM 1399 O ASP B 203 5.485 28.776 18.111 1.00 0.00 O ATOM 1400 CB ASP B 203 7.504 31.179 17.230 1.00 0.00 C ATOM 1401 CG ASP B 203 6.725 32.377 16.655 1.00 0.00 C ATOM 1402 OD1 ASP B 203 5.768 32.161 15.881 1.00 0.00 O ATOM 1403 OD2 ASP B 203 7.068 33.540 16.977 1.00 0.00 O ATOM 0 H ASP B 203 8.027 28.857 18.695 1.00 0.00 H new ATOM 0 HA ASP B 203 6.779 31.510 19.240 1.00 0.00 H new ATOM 0 HB2 ASP B 203 8.544 31.469 17.383 1.00 0.00 H new ATOM 0 HB3 ASP B 203 7.503 30.369 16.501 1.00 0.00 H new ATOM 1408 N CYS B 204 4.474 30.787 18.418 1.00 0.00 N ATOM 1409 CA CYS B 204 3.091 30.341 18.145 1.00 0.00 C ATOM 1410 C CYS B 204 2.809 30.470 16.638 1.00 0.00 C ATOM 1411 O CYS B 204 2.537 31.568 16.186 1.00 0.00 O ATOM 1412 CB CYS B 204 2.101 31.194 18.981 1.00 0.00 C ATOM 1413 SG CYS B 204 0.338 30.715 18.888 1.00 0.00 S ATOM 0 H CYS B 204 4.537 31.772 18.675 1.00 0.00 H new ATOM 0 HA CYS B 204 2.964 29.297 18.431 1.00 0.00 H new ATOM 0 HB2 CYS B 204 2.412 31.153 20.025 1.00 0.00 H new ATOM 0 HB3 CYS B 204 2.190 32.232 18.662 1.00 0.00 H new ATOM 1418 N PRO B 205 2.850 29.354 15.830 1.00 0.00 N ATOM 1419 CA PRO B 205 2.886 29.435 14.331 1.00 0.00 C ATOM 1420 C PRO B 205 1.557 29.876 13.663 1.00 0.00 C ATOM 1421 O PRO B 205 1.412 29.775 12.439 1.00 0.00 O ATOM 1422 CB PRO B 205 3.272 27.987 13.931 1.00 0.00 C ATOM 1423 CG PRO B 205 2.684 27.138 15.015 1.00 0.00 C ATOM 1424 CD PRO B 205 2.871 27.935 16.293 1.00 0.00 C ATOM 0 HA PRO B 205 3.578 30.206 13.992 1.00 0.00 H new ATOM 0 HB2 PRO B 205 2.867 27.722 12.954 1.00 0.00 H new ATOM 0 HB3 PRO B 205 4.354 27.865 13.872 1.00 0.00 H new ATOM 0 HG2 PRO B 205 1.629 26.936 14.828 1.00 0.00 H new ATOM 0 HG3 PRO B 205 3.187 26.173 15.076 1.00 0.00 H new ATOM 0 HD2 PRO B 205 2.074 27.736 17.010 1.00 0.00 H new ATOM 0 HD3 PRO B 205 3.812 27.688 16.785 1.00 0.00 H new ATOM 1432 N VAL B 206 0.598 30.363 14.472 1.00 0.00 N ATOM 1433 CA VAL B 206 -0.693 30.882 13.985 1.00 0.00 C ATOM 1434 C VAL B 206 -0.694 32.434 14.016 1.00 0.00 C ATOM 1435 O VAL B 206 -0.986 33.083 13.008 1.00 0.00 O ATOM 1436 CB VAL B 206 -1.897 30.330 14.840 1.00 0.00 C ATOM 1437 CG1 VAL B 206 -3.256 30.694 14.193 1.00 0.00 C ATOM 1438 CG2 VAL B 206 -1.772 28.802 15.075 1.00 0.00 C ATOM 0 H VAL B 206 0.698 30.408 15.486 1.00 0.00 H new ATOM 0 HA VAL B 206 -0.821 30.540 12.958 1.00 0.00 H new ATOM 0 HB VAL B 206 -1.857 30.813 15.816 1.00 0.00 H new ATOM 0 HG11 VAL B 206 -4.067 30.300 14.805 1.00 0.00 H new ATOM 0 HG12 VAL B 206 -3.347 31.778 14.124 1.00 0.00 H new ATOM 0 HG13 VAL B 206 -3.311 30.261 13.194 1.00 0.00 H new ATOM 0 HG21 VAL B 206 -2.618 28.455 15.668 1.00 0.00 H new ATOM 0 HG22 VAL B 206 -1.765 28.286 14.115 1.00 0.00 H new ATOM 0 HG23 VAL B 206 -0.845 28.590 15.608 1.00 0.00 H new ATOM 1448 N CYS B 207 -0.357 33.018 15.193 1.00 0.00 N ATOM 1449 CA CYS B 207 -0.358 34.497 15.400 1.00 0.00 C ATOM 1450 C CYS B 207 1.082 35.065 15.469 1.00 0.00 C ATOM 1451 O CYS B 207 1.268 36.281 15.532 1.00 0.00 O ATOM 1452 CB CYS B 207 -1.141 34.860 16.686 1.00 0.00 C ATOM 1453 SG CYS B 207 -0.321 34.379 18.240 1.00 0.00 S ATOM 0 H CYS B 207 -0.079 32.489 16.019 1.00 0.00 H new ATOM 0 HA CYS B 207 -0.853 34.951 14.542 1.00 0.00 H new ATOM 0 HB2 CYS B 207 -1.311 35.937 16.699 1.00 0.00 H new ATOM 0 HB3 CYS B 207 -2.120 34.383 16.645 1.00 0.00 H new ATOM 1458 N GLY B 208 2.078 34.160 15.469 1.00 0.00 N ATOM 1459 CA GLY B 208 3.511 34.498 15.456 1.00 0.00 C ATOM 1460 C GLY B 208 3.997 35.332 16.636 1.00 0.00 C ATOM 1461 O GLY B 208 4.493 36.449 16.449 1.00 0.00 O ATOM 0 H GLY B 208 1.905 33.155 15.478 1.00 0.00 H new ATOM 0 HA2 GLY B 208 4.085 33.572 15.427 1.00 0.00 H new ATOM 0 HA3 GLY B 208 3.731 35.039 14.536 1.00 0.00 H new ATOM 1465 N VAL B 209 3.827 34.800 17.858 1.00 0.00 N ATOM 1466 CA VAL B 209 4.367 35.415 19.094 1.00 0.00 C ATOM 1467 C VAL B 209 5.339 34.441 19.786 1.00 0.00 C ATOM 1468 O VAL B 209 5.046 33.241 19.898 1.00 0.00 O ATOM 1469 CB VAL B 209 3.229 35.864 20.095 1.00 0.00 C ATOM 1470 CG1 VAL B 209 2.342 36.964 19.469 1.00 0.00 C ATOM 1471 CG2 VAL B 209 2.367 34.667 20.569 1.00 0.00 C ATOM 0 H VAL B 209 3.314 33.934 18.022 1.00 0.00 H new ATOM 0 HA VAL B 209 4.903 36.317 18.800 1.00 0.00 H new ATOM 0 HB VAL B 209 3.722 36.278 20.975 1.00 0.00 H new ATOM 0 HG11 VAL B 209 1.567 37.254 20.179 1.00 0.00 H new ATOM 0 HG12 VAL B 209 2.955 37.832 19.226 1.00 0.00 H new ATOM 0 HG13 VAL B 209 1.877 36.583 18.560 1.00 0.00 H new ATOM 0 HG21 VAL B 209 1.598 35.022 21.255 1.00 0.00 H new ATOM 0 HG22 VAL B 209 1.895 34.195 19.707 1.00 0.00 H new ATOM 0 HG23 VAL B 209 3.001 33.941 21.078 1.00 0.00 H new ATOM 1481 N ASN B 210 6.505 34.960 20.224 1.00 0.00 N ATOM 1482 CA ASN B 210 7.476 34.178 21.000 1.00 0.00 C ATOM 1483 C ASN B 210 6.980 34.052 22.451 1.00 0.00 C ATOM 1484 O ASN B 210 6.759 35.060 23.123 1.00 0.00 O ATOM 1485 CB ASN B 210 8.888 34.811 20.957 1.00 0.00 C ATOM 1486 CG ASN B 210 9.945 33.943 21.666 1.00 0.00 C ATOM 1487 OD1 ASN B 210 10.208 34.102 22.859 1.00 0.00 O ATOM 1488 ND2 ASN B 210 10.531 33.000 20.949 1.00 0.00 N ATOM 0 H ASN B 210 6.793 35.923 20.050 1.00 0.00 H new ATOM 0 HA ASN B 210 7.558 33.187 20.554 1.00 0.00 H new ATOM 0 HB2 ASN B 210 9.184 34.962 19.919 1.00 0.00 H new ATOM 0 HB3 ASN B 210 8.856 35.795 21.426 1.00 0.00 H new ATOM 0 HD21 ASN B 210 11.219 32.383 21.382 1.00 0.00 H new ATOM 0 HD22 ASN B 210 10.296 32.889 19.963 1.00 0.00 H new ATOM 1495 N ILE B 211 6.786 32.802 22.888 1.00 0.00 N ATOM 1496 CA ILE B 211 6.231 32.431 24.209 1.00 0.00 C ATOM 1497 C ILE B 211 6.851 31.078 24.660 1.00 0.00 C ATOM 1498 O ILE B 211 7.409 30.360 23.823 1.00 0.00 O ATOM 1499 CB ILE B 211 4.648 32.309 24.139 1.00 0.00 C ATOM 1500 CG1 ILE B 211 4.230 31.493 22.871 1.00 0.00 C ATOM 1501 CG2 ILE B 211 3.951 33.699 24.191 1.00 0.00 C ATOM 1502 CD1 ILE B 211 2.739 31.394 22.648 1.00 0.00 C ATOM 0 H ILE B 211 7.017 31.989 22.318 1.00 0.00 H new ATOM 0 HA ILE B 211 6.479 33.209 24.931 1.00 0.00 H new ATOM 0 HB ILE B 211 4.309 31.768 25.023 1.00 0.00 H new ATOM 0 HG12 ILE B 211 4.685 31.952 21.994 1.00 0.00 H new ATOM 0 HG13 ILE B 211 4.639 30.486 22.952 1.00 0.00 H new ATOM 0 HG21 ILE B 211 2.870 33.566 24.140 1.00 0.00 H new ATOM 0 HG22 ILE B 211 4.212 34.202 25.122 1.00 0.00 H new ATOM 0 HG23 ILE B 211 4.282 34.304 23.347 1.00 0.00 H new ATOM 0 HD11 ILE B 211 2.544 30.811 21.748 1.00 0.00 H new ATOM 0 HD12 ILE B 211 2.275 30.905 23.504 1.00 0.00 H new ATOM 0 HD13 ILE B 211 2.321 32.394 22.531 1.00 0.00 H new ATOM 1514 N PRO B 212 6.786 30.708 25.984 1.00 0.00 N ATOM 1515 CA PRO B 212 7.249 29.377 26.468 1.00 0.00 C ATOM 1516 C PRO B 212 6.382 28.220 25.915 1.00 0.00 C ATOM 1517 O PRO B 212 5.253 28.443 25.488 1.00 0.00 O ATOM 1518 CB PRO B 212 7.129 29.493 28.007 1.00 0.00 C ATOM 1519 CG PRO B 212 6.092 30.547 28.227 1.00 0.00 C ATOM 1520 CD PRO B 212 6.292 31.546 27.111 1.00 0.00 C ATOM 0 HA PRO B 212 8.260 29.142 26.135 1.00 0.00 H new ATOM 0 HB2 PRO B 212 6.831 28.545 28.454 1.00 0.00 H new ATOM 0 HB3 PRO B 212 8.081 29.773 28.459 1.00 0.00 H new ATOM 0 HG2 PRO B 212 5.088 30.123 28.199 1.00 0.00 H new ATOM 0 HG3 PRO B 212 6.212 31.018 29.202 1.00 0.00 H new ATOM 0 HD2 PRO B 212 5.363 32.055 26.856 1.00 0.00 H new ATOM 0 HD3 PRO B 212 7.013 32.316 27.385 1.00 0.00 H new ATOM 1528 N GLU B 213 6.929 26.993 25.962 1.00 0.00 N ATOM 1529 CA GLU B 213 6.313 25.781 25.370 1.00 0.00 C ATOM 1530 C GLU B 213 4.981 25.396 26.079 1.00 0.00 C ATOM 1531 O GLU B 213 4.071 24.818 25.461 1.00 0.00 O ATOM 1532 CB GLU B 213 7.344 24.617 25.398 1.00 0.00 C ATOM 1533 CG GLU B 213 6.913 23.328 24.664 1.00 0.00 C ATOM 1534 CD GLU B 213 8.020 22.256 24.605 1.00 0.00 C ATOM 1535 OE1 GLU B 213 8.354 21.676 25.666 1.00 0.00 O ATOM 1536 OE2 GLU B 213 8.563 21.987 23.507 1.00 0.00 O ATOM 0 H GLU B 213 7.823 26.807 26.417 1.00 0.00 H new ATOM 0 HA GLU B 213 6.048 25.993 24.334 1.00 0.00 H new ATOM 0 HB2 GLU B 213 8.276 24.970 24.958 1.00 0.00 H new ATOM 0 HB3 GLU B 213 7.557 24.368 26.438 1.00 0.00 H new ATOM 0 HG2 GLU B 213 6.039 22.910 25.163 1.00 0.00 H new ATOM 0 HG3 GLU B 213 6.609 23.582 23.648 1.00 0.00 H new ATOM 1543 N SER B 214 4.861 25.748 27.368 1.00 0.00 N ATOM 1544 CA SER B 214 3.604 25.572 28.131 1.00 0.00 C ATOM 1545 C SER B 214 2.505 26.528 27.591 1.00 0.00 C ATOM 1546 O SER B 214 1.360 26.115 27.323 1.00 0.00 O ATOM 1547 CB SER B 214 3.862 25.818 29.639 1.00 0.00 C ATOM 1548 OG SER B 214 2.688 25.624 30.415 1.00 0.00 O ATOM 0 H SER B 214 5.620 26.159 27.911 1.00 0.00 H new ATOM 0 HA SER B 214 3.251 24.548 28.005 1.00 0.00 H new ATOM 0 HB2 SER B 214 4.644 25.144 29.988 1.00 0.00 H new ATOM 0 HB3 SER B 214 4.229 26.834 29.784 1.00 0.00 H new ATOM 0 HG SER B 214 2.890 25.786 31.360 1.00 0.00 H new ATOM 1554 N HIS B 215 2.887 27.804 27.387 1.00 0.00 N ATOM 1555 CA HIS B 215 1.958 28.856 26.912 1.00 0.00 C ATOM 1556 C HIS B 215 1.764 28.795 25.392 1.00 0.00 C ATOM 1557 O HIS B 215 0.840 29.425 24.877 1.00 0.00 O ATOM 1558 CB HIS B 215 2.452 30.265 27.330 1.00 0.00 C ATOM 1559 CG HIS B 215 2.362 30.536 28.807 1.00 0.00 C ATOM 1560 ND1 HIS B 215 1.786 31.672 29.317 1.00 0.00 N ATOM 1561 CD2 HIS B 215 2.818 29.839 29.880 1.00 0.00 C ATOM 1562 CE1 HIS B 215 1.885 31.662 30.626 1.00 0.00 C ATOM 1563 NE2 HIS B 215 2.502 30.564 30.992 1.00 0.00 N ATOM 0 H HIS B 215 3.839 28.136 27.544 1.00 0.00 H new ATOM 0 HA HIS B 215 0.994 28.669 27.384 1.00 0.00 H new ATOM 0 HB2 HIS B 215 3.488 30.384 27.013 1.00 0.00 H new ATOM 0 HB3 HIS B 215 1.868 31.016 26.798 1.00 0.00 H new ATOM 0 HD2 HIS B 215 3.333 28.890 29.857 1.00 0.00 H new ATOM 0 HE1 HIS B 215 1.519 32.430 31.291 1.00 0.00 H new ATOM 0 HE2 HIS B 215 2.712 30.295 31.953 1.00 0.00 H new ATOM 1572 N ILE B 216 2.639 28.052 24.674 1.00 0.00 N ATOM 1573 CA ILE B 216 2.491 27.848 23.224 1.00 0.00 C ATOM 1574 C ILE B 216 1.335 26.867 23.008 1.00 0.00 C ATOM 1575 O ILE B 216 0.483 27.114 22.169 1.00 0.00 O ATOM 1576 CB ILE B 216 3.848 27.394 22.504 1.00 0.00 C ATOM 1577 CG1 ILE B 216 3.947 27.933 21.034 1.00 0.00 C ATOM 1578 CG2 ILE B 216 4.068 25.861 22.496 1.00 0.00 C ATOM 1579 CD1 ILE B 216 3.028 27.268 20.020 1.00 0.00 C ATOM 0 H ILE B 216 3.451 27.587 25.080 1.00 0.00 H new ATOM 0 HA ILE B 216 2.257 28.799 22.746 1.00 0.00 H new ATOM 0 HB ILE B 216 4.637 27.840 23.110 1.00 0.00 H new ATOM 0 HG12 ILE B 216 3.733 29.002 21.044 1.00 0.00 H new ATOM 0 HG13 ILE B 216 4.976 27.818 20.694 1.00 0.00 H new ATOM 0 HG21 ILE B 216 5.007 25.631 21.992 1.00 0.00 H new ATOM 0 HG22 ILE B 216 4.107 25.494 23.522 1.00 0.00 H new ATOM 0 HG23 ILE B 216 3.245 25.378 21.969 1.00 0.00 H new ATOM 0 HD11 ILE B 216 3.181 27.719 19.040 1.00 0.00 H new ATOM 0 HD12 ILE B 216 3.253 26.203 19.969 1.00 0.00 H new ATOM 0 HD13 ILE B 216 1.990 27.405 20.324 1.00 0.00 H new ATOM 1591 N ASN B 217 1.296 25.801 23.837 1.00 0.00 N ATOM 1592 CA ASN B 217 0.185 24.837 23.882 1.00 0.00 C ATOM 1593 C ASN B 217 -1.141 25.603 24.061 1.00 0.00 C ATOM 1594 O ASN B 217 -2.021 25.549 23.188 1.00 0.00 O ATOM 1595 CB ASN B 217 0.425 23.855 25.070 1.00 0.00 C ATOM 1596 CG ASN B 217 -0.496 22.613 25.159 1.00 0.00 C ATOM 1597 OD1 ASN B 217 -0.068 21.592 25.679 1.00 0.00 O ATOM 1598 ND2 ASN B 217 -1.749 22.667 24.708 1.00 0.00 N ATOM 0 H ASN B 217 2.043 25.587 24.498 1.00 0.00 H new ATOM 0 HA ASN B 217 0.132 24.266 22.955 1.00 0.00 H new ATOM 0 HB2 ASN B 217 1.457 23.507 25.018 1.00 0.00 H new ATOM 0 HB3 ASN B 217 0.325 24.417 25.998 1.00 0.00 H new ATOM 0 HD21 ASN B 217 -2.358 21.853 24.795 1.00 0.00 H new ATOM 0 HD22 ASN B 217 -2.099 23.522 24.276 1.00 0.00 H new ATOM 1605 N LYS B 218 -1.207 26.375 25.163 1.00 0.00 N ATOM 1606 CA LYS B 218 -2.405 27.137 25.577 1.00 0.00 C ATOM 1607 C LYS B 218 -2.853 28.123 24.462 1.00 0.00 C ATOM 1608 O LYS B 218 -4.057 28.197 24.116 1.00 0.00 O ATOM 1609 CB LYS B 218 -2.080 27.880 26.927 1.00 0.00 C ATOM 1610 CG LYS B 218 -3.293 28.203 27.850 1.00 0.00 C ATOM 1611 CD LYS B 218 -4.251 29.265 27.278 1.00 0.00 C ATOM 1612 CE LYS B 218 -5.473 29.528 28.170 1.00 0.00 C ATOM 1613 NZ LYS B 218 -6.417 30.478 27.521 1.00 0.00 N ATOM 0 H LYS B 218 -0.419 26.490 25.801 1.00 0.00 H new ATOM 0 HA LYS B 218 -3.242 26.458 25.738 1.00 0.00 H new ATOM 0 HB2 LYS B 218 -1.374 27.270 27.491 1.00 0.00 H new ATOM 0 HB3 LYS B 218 -1.574 28.815 26.689 1.00 0.00 H new ATOM 0 HG2 LYS B 218 -3.852 27.285 28.033 1.00 0.00 H new ATOM 0 HG3 LYS B 218 -2.921 28.547 28.815 1.00 0.00 H new ATOM 0 HD2 LYS B 218 -3.705 30.198 27.138 1.00 0.00 H new ATOM 0 HD3 LYS B 218 -4.591 28.944 26.294 1.00 0.00 H new ATOM 0 HE2 LYS B 218 -5.984 28.588 28.378 1.00 0.00 H new ATOM 0 HE3 LYS B 218 -5.147 29.932 29.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 -7.233 30.638 28.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 -5.934 31.382 27.345 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 -6.745 30.079 26.618 1.00 0.00 H new ATOM 1627 N HIS B 219 -1.863 28.838 23.877 1.00 0.00 N ATOM 1628 CA HIS B 219 -2.111 29.849 22.832 1.00 0.00 C ATOM 1629 C HIS B 219 -2.799 29.212 21.629 1.00 0.00 C ATOM 1630 O HIS B 219 -3.681 29.817 21.053 1.00 0.00 O ATOM 1631 CB HIS B 219 -0.788 30.551 22.372 1.00 0.00 C ATOM 1632 CG HIS B 219 -0.794 32.056 22.535 1.00 0.00 C ATOM 1633 ND1 HIS B 219 -0.912 32.931 21.464 1.00 0.00 N ATOM 1634 CD2 HIS B 219 -0.670 32.788 23.678 1.00 0.00 C ATOM 1635 CE1 HIS B 219 -0.858 34.144 21.990 1.00 0.00 C ATOM 1636 NE2 HIS B 219 -0.714 34.105 23.318 1.00 0.00 N ATOM 0 H HIS B 219 -0.878 28.728 24.117 1.00 0.00 H new ATOM 0 HA HIS B 219 -2.762 30.608 23.265 1.00 0.00 H new ATOM 0 HB2 HIS B 219 0.045 30.139 22.941 1.00 0.00 H new ATOM 0 HB3 HIS B 219 -0.608 30.311 21.324 1.00 0.00 H new ATOM 0 HD2 HIS B 219 -0.558 32.400 24.680 1.00 0.00 H new ATOM 0 HE1 HIS B 219 -0.923 35.056 21.415 1.00 0.00 H new ATOM 0 HE2 HIS B 219 -0.649 34.907 23.945 1.00 0.00 H new ATOM 1644 N LEU B 220 -2.376 27.986 21.279 1.00 0.00 N ATOM 1645 CA LEU B 220 -2.906 27.256 20.120 1.00 0.00 C ATOM 1646 C LEU B 220 -4.338 26.809 20.345 1.00 0.00 C ATOM 1647 O LEU B 220 -5.108 26.818 19.409 1.00 0.00 O ATOM 1648 CB LEU B 220 -2.048 26.033 19.791 1.00 0.00 C ATOM 1649 CG LEU B 220 -0.583 26.334 19.432 1.00 0.00 C ATOM 1650 CD1 LEU B 220 0.193 25.036 19.256 1.00 0.00 C ATOM 1651 CD2 LEU B 220 -0.464 27.273 18.211 1.00 0.00 C ATOM 0 H LEU B 220 -1.658 27.475 21.792 1.00 0.00 H new ATOM 0 HA LEU B 220 -2.880 27.950 19.280 1.00 0.00 H new ATOM 0 HB2 LEU B 220 -2.064 25.358 20.647 1.00 0.00 H new ATOM 0 HB3 LEU B 220 -2.507 25.501 18.957 1.00 0.00 H new ATOM 0 HG LEU B 220 -0.132 26.878 20.262 1.00 0.00 H new ATOM 0 HD11 LEU B 220 1.228 25.263 19.002 1.00 0.00 H new ATOM 0 HD12 LEU B 220 0.164 24.466 20.184 1.00 0.00 H new ATOM 0 HD13 LEU B 220 -0.257 24.449 18.455 1.00 0.00 H new ATOM 0 HD21 LEU B 220 0.588 27.457 17.995 1.00 0.00 H new ATOM 0 HD22 LEU B 220 -0.936 26.807 17.346 1.00 0.00 H new ATOM 0 HD23 LEU B 220 -0.960 28.218 18.429 1.00 0.00 H new ATOM 1663 N ASP B 221 -4.675 26.418 21.588 1.00 0.00 N ATOM 1664 CA ASP B 221 -6.055 26.038 21.953 1.00 0.00 C ATOM 1665 C ASP B 221 -7.031 27.190 21.647 1.00 0.00 C ATOM 1666 O ASP B 221 -8.184 26.959 21.271 1.00 0.00 O ATOM 1667 CB ASP B 221 -6.139 25.622 23.447 1.00 0.00 C ATOM 1668 CG ASP B 221 -5.476 24.261 23.729 1.00 0.00 C ATOM 1669 OD1 ASP B 221 -6.148 23.220 23.574 1.00 0.00 O ATOM 1670 OD2 ASP B 221 -4.282 24.221 24.076 1.00 0.00 O ATOM 0 H ASP B 221 -4.010 26.356 22.359 1.00 0.00 H new ATOM 0 HA ASP B 221 -6.343 25.177 21.350 1.00 0.00 H new ATOM 0 HB2 ASP B 221 -5.661 26.387 24.059 1.00 0.00 H new ATOM 0 HB3 ASP B 221 -7.186 25.580 23.749 1.00 0.00 H new ATOM 1675 N SER B 222 -6.539 28.435 21.807 1.00 0.00 N ATOM 1676 CA SER B 222 -7.304 29.649 21.452 1.00 0.00 C ATOM 1677 C SER B 222 -7.121 30.017 19.950 1.00 0.00 C ATOM 1678 O SER B 222 -8.074 30.428 19.283 1.00 0.00 O ATOM 1679 CB SER B 222 -6.867 30.817 22.366 1.00 0.00 C ATOM 1680 OG SER B 222 -7.682 31.964 22.170 1.00 0.00 O ATOM 0 H SER B 222 -5.610 28.627 22.182 1.00 0.00 H new ATOM 0 HA SER B 222 -8.365 29.452 21.606 1.00 0.00 H new ATOM 0 HB2 SER B 222 -6.921 30.504 23.409 1.00 0.00 H new ATOM 0 HB3 SER B 222 -5.826 31.070 22.163 1.00 0.00 H new ATOM 0 HG SER B 222 -7.381 32.684 22.763 1.00 0.00 H new ATOM 1686 N CYS B 223 -5.893 29.831 19.430 1.00 0.00 N ATOM 1687 CA CYS B 223 -5.480 30.322 18.095 1.00 0.00 C ATOM 1688 C CYS B 223 -5.935 29.395 16.943 1.00 0.00 C ATOM 1689 O CYS B 223 -5.999 29.837 15.794 1.00 0.00 O ATOM 1690 CB CYS B 223 -3.942 30.562 18.056 1.00 0.00 C ATOM 1691 SG CYS B 223 -3.414 32.047 19.001 1.00 0.00 S ATOM 0 H CYS B 223 -5.153 29.333 19.925 1.00 0.00 H new ATOM 0 HA CYS B 223 -5.988 31.273 17.934 1.00 0.00 H new ATOM 0 HB2 CYS B 223 -3.434 29.685 18.457 1.00 0.00 H new ATOM 0 HB3 CYS B 223 -3.624 30.668 17.019 1.00 0.00 H new ATOM 1696 N LEU B 224 -6.260 28.116 17.249 1.00 0.00 N ATOM 1697 CA LEU B 224 -6.680 27.128 16.220 1.00 0.00 C ATOM 1698 C LEU B 224 -8.127 27.385 15.786 1.00 0.00 C ATOM 1699 O LEU B 224 -8.562 26.895 14.739 1.00 0.00 O ATOM 1700 CB LEU B 224 -6.468 25.650 16.714 1.00 0.00 C ATOM 1701 CG LEU B 224 -7.275 25.130 17.974 1.00 0.00 C ATOM 1702 CD1 LEU B 224 -8.754 24.772 17.667 1.00 0.00 C ATOM 1703 CD2 LEU B 224 -6.554 23.924 18.620 1.00 0.00 C ATOM 0 H LEU B 224 -6.240 27.742 18.198 1.00 0.00 H new ATOM 0 HA LEU B 224 -6.042 27.258 15.346 1.00 0.00 H new ATOM 0 HB2 LEU B 224 -6.702 24.989 15.880 1.00 0.00 H new ATOM 0 HB3 LEU B 224 -5.407 25.526 16.931 1.00 0.00 H new ATOM 0 HG LEU B 224 -7.303 25.963 18.677 1.00 0.00 H new ATOM 0 HD11 LEU B 224 -9.241 24.424 18.578 1.00 0.00 H new ATOM 0 HD12 LEU B 224 -9.272 25.655 17.293 1.00 0.00 H new ATOM 0 HD13 LEU B 224 -8.789 23.985 16.914 1.00 0.00 H new ATOM 0 HD21 LEU B 224 -7.123 23.580 19.484 1.00 0.00 H new ATOM 0 HD22 LEU B 224 -6.474 23.116 17.893 1.00 0.00 H new ATOM 0 HD23 LEU B 224 -5.556 24.225 18.939 1.00 0.00 H new ATOM 1715 N SER B 225 -8.866 28.121 16.638 1.00 0.00 N ATOM 1716 CA SER B 225 -10.221 28.577 16.342 1.00 0.00 C ATOM 1717 C SER B 225 -10.159 29.551 15.154 1.00 0.00 C ATOM 1718 O SER B 225 -9.543 30.622 15.244 1.00 0.00 O ATOM 1719 CB SER B 225 -10.837 29.248 17.587 1.00 0.00 C ATOM 1720 OG SER B 225 -12.185 29.621 17.364 1.00 0.00 O ATOM 0 H SER B 225 -8.529 28.413 17.555 1.00 0.00 H new ATOM 0 HA SER B 225 -10.857 27.732 16.077 1.00 0.00 H new ATOM 0 HB2 SER B 225 -10.783 28.564 18.434 1.00 0.00 H new ATOM 0 HB3 SER B 225 -10.254 30.130 17.852 1.00 0.00 H new ATOM 0 HG SER B 225 -12.546 30.042 18.172 1.00 0.00 H new ATOM 1726 N ARG B 226 -10.778 29.148 14.042 1.00 0.00 N ATOM 1727 CA ARG B 226 -10.643 29.816 12.737 1.00 0.00 C ATOM 1728 C ARG B 226 -12.031 30.199 12.207 1.00 0.00 C ATOM 1729 O ARG B 226 -13.048 29.706 12.714 1.00 0.00 O ATOM 1730 CB ARG B 226 -9.921 28.843 11.756 1.00 0.00 C ATOM 1731 CG ARG B 226 -10.746 27.577 11.377 1.00 0.00 C ATOM 1732 CD ARG B 226 -9.879 26.377 10.941 1.00 0.00 C ATOM 1733 NE ARG B 226 -9.162 25.774 12.084 1.00 0.00 N ATOM 1734 CZ ARG B 226 -8.732 24.500 12.158 1.00 0.00 C ATOM 1735 NH1 ARG B 226 -8.817 23.676 11.113 1.00 0.00 N ATOM 1736 NH2 ARG B 226 -8.190 24.062 13.285 1.00 0.00 N ATOM 0 H ARG B 226 -11.397 28.337 14.018 1.00 0.00 H new ATOM 0 HA ARG B 226 -10.055 30.729 12.834 1.00 0.00 H new ATOM 0 HB2 ARG B 226 -9.672 29.385 10.844 1.00 0.00 H new ATOM 0 HB3 ARG B 226 -8.980 28.527 12.205 1.00 0.00 H new ATOM 0 HG2 ARG B 226 -11.355 27.282 12.232 1.00 0.00 H new ATOM 0 HG3 ARG B 226 -11.432 27.830 10.569 1.00 0.00 H new ATOM 0 HD2 ARG B 226 -10.511 25.624 10.470 1.00 0.00 H new ATOM 0 HD3 ARG B 226 -9.158 26.703 10.191 1.00 0.00 H new ATOM 0 HE ARG B 226 -8.977 26.375 12.887 1.00 0.00 H new ATOM 0 HH11 ARG B 226 -9.214 24.007 10.234 1.00 0.00 H new ATOM 0 HH12 ARG B 226 -8.485 22.715 11.193 1.00 0.00 H new ATOM 0 HH21 ARG B 226 -8.102 24.688 14.085 1.00 0.00 H new ATOM 0 HH22 ARG B 226 -7.861 23.099 13.352 1.00 0.00 H new ATOM 1750 N GLU B 227 -12.064 31.074 11.190 1.00 0.00 N ATOM 1751 CA GLU B 227 -13.306 31.466 10.505 1.00 0.00 C ATOM 1752 C GLU B 227 -13.655 30.397 9.433 1.00 0.00 C ATOM 1753 O GLU B 227 -13.016 30.384 8.354 1.00 0.00 O ATOM 1754 CB GLU B 227 -13.155 32.888 9.878 1.00 0.00 C ATOM 1755 CG GLU B 227 -14.422 33.434 9.180 1.00 0.00 C ATOM 1756 CD GLU B 227 -15.647 33.553 10.113 1.00 0.00 C ATOM 1757 OE1 GLU B 227 -15.720 34.527 10.893 1.00 0.00 O ATOM 1758 OE2 GLU B 227 -16.542 32.680 10.068 1.00 0.00 O ATOM 1759 OXT GLU B 227 -14.545 29.553 9.685 1.00 0.00 O ATOM 0 H GLU B 227 -11.230 31.530 10.819 1.00 0.00 H new ATOM 0 HA GLU B 227 -14.126 31.516 11.222 1.00 0.00 H new ATOM 0 HB2 GLU B 227 -12.862 33.585 10.663 1.00 0.00 H new ATOM 0 HB3 GLU B 227 -12.341 32.864 9.153 1.00 0.00 H new ATOM 0 HG2 GLU B 227 -14.200 34.415 8.761 1.00 0.00 H new ATOM 0 HG3 GLU B 227 -14.675 32.781 8.345 1.00 0.00 H new TER 1766 GLU B 227 HETATM 1767 ZN ZN B 301 -1.112 32.487 19.403 1.00 0.00 ZN