USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 219 HIS HE2 : B 219 HIS NE2 : B 300 ZNZN :(H bumps) USER MOD Set 1.1: B 214 SER OG : rot 80:sc= 0.138 USER MOD Set 1.2: B 215 HIS : no HD1:sc= 0.214 K(o=0.35,f=-0.64) USER MOD Set 2.1: A 55 THR OG1 : rot -69:sc= 0.534 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= -0.681 USER MOD Set 3.2: A 25 ASN : amide:sc= -0.803 K(o=-1.5,f=-2.5!) USER MOD Set 4.1: A 7 THR OG1 : rot 118:sc= 0.466 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.96 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00204) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.66 (180deg=1.26) USER MOD Single : A 2 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.3) USER MOD Single : A 6 LYS NZ :NH3+ 142:sc= 0.518 (180deg=-0.242) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= -0.261 (180deg=-0.701) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -82:sc= 1.32 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.041 (180deg=-0.337) USER MOD Single : A 31 GLN : amide:sc= -2.2 X(o=-2.2,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ -126:sc= -1.42 (180deg=-4.91!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -2.09 K(o=-2.1,f=-10!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.972 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.0131 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.34) USER MOD Single : B 198 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 200 THR OG1 : rot -161:sc= 0.882 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : B 217 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.8!) 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 88:sc= 1.29 USER MOD Single : B 229 LYS NZ :NH3+ 163:sc= -0.0257 (180deg=-0.327) USER MOD Single : B 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 232 SER OG : rot -70:sc= 0.142 USER MOD Single : B 235 SER OG : rot 180:sc= 0 USER MOD Single : B 236 SER OG : rot 180:sc= 0 USER MOD Single : B 238 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : B 239 LYS NZ :NH3+ 150:sc= -0.032 (180deg=-0.367) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.609 16.346 10.371 1.00 0.00 N ATOM 2 CA MET A 1 96.786 15.032 11.059 1.00 0.00 C ATOM 3 C MET A 1 98.022 14.344 10.508 1.00 0.00 C ATOM 4 O MET A 1 98.088 14.009 9.322 1.00 0.00 O ATOM 5 CB MET A 1 95.552 14.145 10.834 1.00 0.00 C ATOM 6 CG MET A 1 95.705 12.807 11.569 1.00 0.00 C ATOM 7 SD MET A 1 94.080 12.051 11.816 1.00 0.00 S ATOM 8 CE MET A 1 94.076 11.026 10.325 1.00 0.00 C ATOM 0 H1 MET A 1 95.655 16.712 10.562 1.00 0.00 H new ATOM 0 H2 MET A 1 97.316 17.021 10.725 1.00 0.00 H new ATOM 0 H3 MET A 1 96.733 16.221 9.346 1.00 0.00 H new ATOM 0 HA MET A 1 96.905 15.199 12.130 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.659 14.660 11.187 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.416 13.966 9.767 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.344 12.137 10.994 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.193 12.964 12.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 93.138 10.475 10.265 1.00 0.00 H new ATOM 0 HE2 MET A 1 94.180 11.662 9.446 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.908 10.323 10.365 1.00 0.00 H new ATOM 20 N GLN A 2 98.988 14.135 11.390 1.00 0.00 N ATOM 21 CA GLN A 2 100.230 13.471 11.010 1.00 0.00 C ATOM 22 C GLN A 2 100.056 11.969 11.126 1.00 0.00 C ATOM 23 O GLN A 2 99.723 11.452 12.194 1.00 0.00 O ATOM 24 CB GLN A 2 101.390 13.923 11.899 1.00 0.00 C ATOM 25 CG GLN A 2 102.712 13.340 11.381 1.00 0.00 C ATOM 26 CD GLN A 2 103.882 13.890 12.189 1.00 0.00 C ATOM 27 OE1 GLN A 2 104.067 15.104 12.272 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.682 13.063 12.804 1.00 0.00 N ATOM 0 H GLN A 2 98.938 14.413 12.370 1.00 0.00 H new ATOM 0 HA GLN A 2 100.463 13.740 9.980 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.445 15.012 11.913 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.219 13.599 12.926 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.691 12.253 11.452 1.00 0.00 H new ATOM 0 HG3 GLN A 2 102.839 13.588 10.327 1.00 0.00 H new ATOM 0 HE21 GLN A 2 104.527 12.057 12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.462 13.422 13.354 1.00 0.00 H new ATOM 37 N ILE A 3 100.290 11.284 10.016 1.00 0.00 N ATOM 38 CA ILE A 3 100.173 9.836 9.969 1.00 0.00 C ATOM 39 C ILE A 3 101.463 9.253 9.420 1.00 0.00 C ATOM 40 O ILE A 3 102.210 9.945 8.727 1.00 0.00 O ATOM 41 CB ILE A 3 98.973 9.412 9.100 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.142 9.942 7.663 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.681 9.971 9.721 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.117 9.282 6.732 1.00 0.00 C ATOM 0 H ILE A 3 100.564 11.712 9.131 1.00 0.00 H new ATOM 0 HA ILE A 3 100.002 9.456 10.976 1.00 0.00 H new ATOM 0 HB ILE A 3 98.919 8.324 9.061 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.013 11.024 7.649 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.152 9.737 7.308 1.00 0.00 H new ATOM 0 HG21 ILE A 3 96.827 9.675 9.112 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.561 9.576 10.730 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.738 11.059 9.762 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.246 9.664 5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.266 8.202 6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.110 9.510 7.080 1.00 0.00 H new ATOM 56 N PHE A 4 101.717 7.995 9.739 1.00 0.00 N ATOM 57 CA PHE A 4 102.930 7.326 9.277 1.00 0.00 C ATOM 58 C PHE A 4 102.564 6.240 8.276 1.00 0.00 C ATOM 59 O PHE A 4 101.518 5.599 8.403 1.00 0.00 O ATOM 60 CB PHE A 4 103.671 6.692 10.462 1.00 0.00 C ATOM 61 CG PHE A 4 104.031 7.756 11.477 1.00 0.00 C ATOM 62 CD1 PHE A 4 103.213 7.962 12.594 1.00 0.00 C ATOM 63 CD2 PHE A 4 105.180 8.535 11.298 1.00 0.00 C ATOM 64 CE1 PHE A 4 103.544 8.945 13.534 1.00 0.00 C ATOM 65 CE2 PHE A 4 105.513 9.517 12.237 1.00 0.00 C ATOM 66 CZ PHE A 4 104.694 9.722 13.355 1.00 0.00 C ATOM 0 H PHE A 4 101.105 7.415 10.313 1.00 0.00 H new ATOM 0 HA PHE A 4 103.578 8.063 8.803 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.045 5.931 10.928 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.574 6.192 10.111 1.00 0.00 H new ATOM 0 HD1 PHE A 4 102.326 7.362 12.731 1.00 0.00 H new ATOM 0 HD2 PHE A 4 105.810 8.378 10.435 1.00 0.00 H new ATOM 0 HE1 PHE A 4 102.913 9.103 14.396 1.00 0.00 H new ATOM 0 HE2 PHE A 4 106.401 10.117 12.100 1.00 0.00 H new ATOM 0 HZ PHE A 4 104.950 10.481 14.080 1.00 0.00 H new ATOM 76 N VAL A 5 103.435 6.029 7.295 1.00 0.00 N ATOM 77 CA VAL A 5 103.212 5.001 6.284 1.00 0.00 C ATOM 78 C VAL A 5 104.450 4.111 6.229 1.00 0.00 C ATOM 79 O VAL A 5 105.579 4.605 6.279 1.00 0.00 O ATOM 80 CB VAL A 5 102.909 5.630 4.908 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.664 4.532 3.864 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.660 6.515 5.010 1.00 0.00 C ATOM 0 H VAL A 5 104.301 6.555 7.178 1.00 0.00 H new ATOM 0 HA VAL A 5 102.342 4.401 6.550 1.00 0.00 H new ATOM 0 HB VAL A 5 103.765 6.231 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.451 4.990 2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.551 3.904 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.815 3.921 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.448 6.958 4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.810 5.910 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 5 101.833 7.306 5.739 1.00 0.00 H new ATOM 92 N LYS A 6 104.223 2.803 6.147 1.00 0.00 N ATOM 93 CA LYS A 6 105.316 1.840 6.106 1.00 0.00 C ATOM 94 C LYS A 6 105.181 0.917 4.906 1.00 0.00 C ATOM 95 O LYS A 6 104.177 0.216 4.758 1.00 0.00 O ATOM 96 CB LYS A 6 105.326 1.006 7.389 1.00 0.00 C ATOM 97 CG LYS A 6 106.625 0.200 7.467 1.00 0.00 C ATOM 98 CD LYS A 6 106.672 -0.567 8.788 1.00 0.00 C ATOM 99 CE LYS A 6 107.952 -1.395 8.846 1.00 0.00 C ATOM 100 NZ LYS A 6 109.127 -0.485 8.953 1.00 0.00 N ATOM 0 H LYS A 6 103.292 2.387 6.108 1.00 0.00 H new ATOM 0 HA LYS A 6 106.252 2.392 6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.237 1.657 8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.468 0.334 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.685 -0.494 6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.484 0.867 7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.637 0.128 9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.801 -1.216 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 6 107.923 -2.071 9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 6 108.038 -2.014 7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 109.833 -0.904 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 109.548 -0.350 8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 108.821 0.434 9.331 1.00 0.00 H new ATOM 114 N THR A 7 106.199 0.943 4.049 1.00 0.00 N ATOM 115 CA THR A 7 106.203 0.118 2.848 1.00 0.00 C ATOM 116 C THR A 7 106.605 -1.307 3.201 1.00 0.00 C ATOM 117 O THR A 7 107.114 -1.565 4.296 1.00 0.00 O ATOM 118 CB THR A 7 107.189 0.687 1.817 1.00 0.00 C ATOM 119 OG1 THR A 7 108.492 0.706 2.379 1.00 0.00 O ATOM 120 CG2 THR A 7 106.783 2.110 1.421 1.00 0.00 C ATOM 0 H THR A 7 107.028 1.525 4.165 1.00 0.00 H new ATOM 0 HA THR A 7 105.200 0.117 2.421 1.00 0.00 H new ATOM 0 HB THR A 7 107.177 0.058 0.927 1.00 0.00 H new ATOM 0 HG1 THR A 7 109.084 0.131 1.851 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.491 2.500 0.690 1.00 0.00 H new ATOM 0 HG22 THR A 7 105.783 2.096 0.986 1.00 0.00 H new ATOM 0 HG23 THR A 7 106.785 2.748 2.305 1.00 0.00 H new ATOM 128 N LEU A 8 106.358 -2.225 2.274 1.00 0.00 N ATOM 129 CA LEU A 8 106.679 -3.636 2.478 1.00 0.00 C ATOM 130 C LEU A 8 108.186 -3.859 2.598 1.00 0.00 C ATOM 131 O LEU A 8 108.627 -4.855 3.178 1.00 0.00 O ATOM 132 CB LEU A 8 106.142 -4.462 1.308 1.00 0.00 C ATOM 133 CG LEU A 8 104.610 -4.367 1.252 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.107 -4.979 -0.061 1.00 0.00 C ATOM 135 CD2 LEU A 8 103.993 -5.124 2.435 1.00 0.00 C ATOM 0 H LEU A 8 105.935 -2.018 1.369 1.00 0.00 H new ATOM 0 HA LEU A 8 106.210 -3.951 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.571 -4.103 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.445 -5.503 1.418 1.00 0.00 H new ATOM 0 HG LEU A 8 104.317 -3.319 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 8 103.020 -4.912 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.535 -4.436 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.408 -6.025 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 8 102.907 -5.051 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.289 -6.172 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.345 -4.687 3.370 1.00 0.00 H new ATOM 147 N THR A 9 108.963 -2.927 2.046 1.00 0.00 N ATOM 148 CA THR A 9 110.419 -3.013 2.087 1.00 0.00 C ATOM 149 C THR A 9 110.962 -2.651 3.478 1.00 0.00 C ATOM 150 O THR A 9 112.113 -2.963 3.793 1.00 0.00 O ATOM 151 CB THR A 9 111.014 -2.078 1.029 1.00 0.00 C ATOM 152 OG1 THR A 9 110.548 -0.756 1.254 1.00 0.00 O ATOM 153 CG2 THR A 9 110.585 -2.542 -0.370 1.00 0.00 C ATOM 0 H THR A 9 108.605 -2.102 1.564 1.00 0.00 H new ATOM 0 HA THR A 9 110.710 -4.042 1.875 1.00 0.00 H new ATOM 0 HB THR A 9 112.102 -2.098 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.929 -0.156 0.579 1.00 0.00 H new ATOM 0 HG21 THR A 9 111.010 -1.875 -1.121 1.00 0.00 H new ATOM 0 HG22 THR A 9 110.943 -3.557 -0.542 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.498 -2.524 -0.442 1.00 0.00 H new ATOM 161 N GLY A 10 110.132 -1.999 4.302 1.00 0.00 N ATOM 162 CA GLY A 10 110.538 -1.606 5.654 1.00 0.00 C ATOM 163 C GLY A 10 110.767 -0.095 5.780 1.00 0.00 C ATOM 164 O GLY A 10 110.986 0.403 6.887 1.00 0.00 O ATOM 0 H GLY A 10 109.178 -1.734 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.772 -1.915 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.453 -2.133 5.923 1.00 0.00 H new ATOM 168 N LYS A 11 110.704 0.629 4.655 1.00 0.00 N ATOM 169 CA LYS A 11 110.894 2.075 4.673 1.00 0.00 C ATOM 170 C LYS A 11 109.772 2.735 5.471 1.00 0.00 C ATOM 171 O LYS A 11 108.644 2.238 5.499 1.00 0.00 O ATOM 172 CB LYS A 11 110.920 2.628 3.243 1.00 0.00 C ATOM 173 CG LYS A 11 111.185 4.139 3.277 1.00 0.00 C ATOM 174 CD LYS A 11 111.241 4.678 1.856 1.00 0.00 C ATOM 175 CE LYS A 11 111.511 6.182 1.889 1.00 0.00 C ATOM 176 NZ LYS A 11 110.348 6.877 2.511 1.00 0.00 N ATOM 0 H LYS A 11 110.524 0.236 3.731 1.00 0.00 H new ATOM 0 HA LYS A 11 111.849 2.299 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.695 2.126 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 11 109.970 2.427 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.399 4.644 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.124 4.342 3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.025 4.170 1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.300 4.478 1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 11 112.419 6.388 2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.675 6.556 0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 110.358 7.881 2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 109.465 6.439 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 110.409 6.797 3.546 1.00 0.00 H new ATOM 190 N THR A 12 110.100 3.863 6.104 1.00 0.00 N ATOM 191 CA THR A 12 109.122 4.601 6.900 1.00 0.00 C ATOM 192 C THR A 12 109.084 6.069 6.482 1.00 0.00 C ATOM 193 O THR A 12 110.112 6.746 6.447 1.00 0.00 O ATOM 194 CB THR A 12 109.466 4.500 8.388 1.00 0.00 C ATOM 195 OG1 THR A 12 109.699 3.141 8.726 1.00 0.00 O ATOM 196 CG2 THR A 12 108.296 5.031 9.223 1.00 0.00 C ATOM 0 H THR A 12 111.030 4.282 6.080 1.00 0.00 H new ATOM 0 HA THR A 12 108.140 4.160 6.727 1.00 0.00 H new ATOM 0 HB THR A 12 110.359 5.090 8.593 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.921 3.074 9.678 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.542 4.958 10.282 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.108 6.073 8.965 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.404 4.440 9.017 1.00 0.00 H new ATOM 204 N ILE A 13 107.880 6.540 6.177 1.00 0.00 N ATOM 205 CA ILE A 13 107.663 7.924 5.762 1.00 0.00 C ATOM 206 C ILE A 13 106.526 8.536 6.579 1.00 0.00 C ATOM 207 O ILE A 13 105.475 7.914 6.753 1.00 0.00 O ATOM 208 CB ILE A 13 107.327 7.980 4.249 1.00 0.00 C ATOM 209 CG1 ILE A 13 107.017 9.438 3.821 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.114 7.079 3.945 1.00 0.00 C ATOM 211 CD1 ILE A 13 106.864 9.527 2.298 1.00 0.00 C ATOM 0 H ILE A 13 107.030 5.978 6.210 1.00 0.00 H new ATOM 0 HA ILE A 13 108.574 8.497 5.938 1.00 0.00 H new ATOM 0 HB ILE A 13 108.189 7.622 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.102 9.779 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.818 10.099 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 13 105.885 7.124 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.346 6.051 4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.252 7.424 4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.647 10.557 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.790 9.206 1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 13 106.047 8.882 1.976 1.00 0.00 H new ATOM 223 N THR A 14 106.737 9.768 7.040 1.00 0.00 N ATOM 224 CA THR A 14 105.709 10.474 7.798 1.00 0.00 C ATOM 225 C THR A 14 104.985 11.411 6.852 1.00 0.00 C ATOM 226 O THR A 14 105.611 12.239 6.184 1.00 0.00 O ATOM 227 CB THR A 14 106.316 11.266 8.954 1.00 0.00 C ATOM 228 OG1 THR A 14 107.170 10.421 9.714 1.00 0.00 O ATOM 229 CG2 THR A 14 105.194 11.798 9.851 1.00 0.00 C ATOM 0 H THR A 14 107.601 10.292 6.903 1.00 0.00 H new ATOM 0 HA THR A 14 105.017 9.750 8.227 1.00 0.00 H new ATOM 0 HB THR A 14 106.893 12.101 8.558 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.634 9.898 10.347 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.626 12.364 10.677 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.540 12.447 9.269 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.617 10.962 10.246 1.00 0.00 H new ATOM 237 N LEU A 15 103.675 11.237 6.769 1.00 0.00 N ATOM 238 CA LEU A 15 102.853 12.023 5.862 1.00 0.00 C ATOM 239 C LEU A 15 101.838 12.861 6.618 1.00 0.00 C ATOM 240 O LEU A 15 101.173 12.374 7.536 1.00 0.00 O ATOM 241 CB LEU A 15 102.139 11.068 4.904 1.00 0.00 C ATOM 242 CG LEU A 15 101.466 11.836 3.763 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.521 12.449 2.831 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.594 10.862 2.970 1.00 0.00 C ATOM 0 H LEU A 15 103.156 10.555 7.322 1.00 0.00 H new ATOM 0 HA LEU A 15 103.492 12.710 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.855 10.355 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.392 10.492 5.449 1.00 0.00 H new ATOM 0 HG LEU A 15 100.860 12.642 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 15 102.025 12.991 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.151 13.136 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.138 11.656 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.107 11.393 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.216 10.064 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.837 10.434 3.627 1.00 0.00 H new ATOM 256 N GLU A 16 101.732 14.125 6.217 1.00 0.00 N ATOM 257 CA GLU A 16 100.797 15.052 6.849 1.00 0.00 C ATOM 258 C GLU A 16 99.535 15.161 6.006 1.00 0.00 C ATOM 259 O GLU A 16 99.575 15.655 4.876 1.00 0.00 O ATOM 260 CB GLU A 16 101.441 16.432 6.986 1.00 0.00 C ATOM 261 CG GLU A 16 100.532 17.346 7.823 1.00 0.00 C ATOM 262 CD GLU A 16 101.182 18.721 8.051 1.00 0.00 C ATOM 263 OE1 GLU A 16 100.727 19.419 8.936 1.00 0.00 O ATOM 264 OE2 GLU A 16 102.112 19.064 7.327 1.00 0.00 O ATOM 0 H GLU A 16 102.281 14.530 5.459 1.00 0.00 H new ATOM 0 HA GLU A 16 100.541 14.677 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 16 102.419 16.343 7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 16 101.603 16.868 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 16 99.575 17.473 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 16 100.325 16.875 8.784 1.00 0.00 H new ATOM 271 N VAL A 17 98.422 14.706 6.569 1.00 0.00 N ATOM 272 CA VAL A 17 97.141 14.754 5.870 1.00 0.00 C ATOM 273 C VAL A 17 96.025 15.097 6.842 1.00 0.00 C ATOM 274 O VAL A 17 96.256 15.169 8.046 1.00 0.00 O ATOM 275 CB VAL A 17 96.848 13.411 5.180 1.00 0.00 C ATOM 276 CG1 VAL A 17 97.944 13.124 4.151 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.809 12.278 6.217 1.00 0.00 C ATOM 0 H VAL A 17 98.379 14.301 7.504 1.00 0.00 H new ATOM 0 HA VAL A 17 97.195 15.530 5.106 1.00 0.00 H new ATOM 0 HB VAL A 17 95.879 13.468 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.741 12.173 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 17 97.962 13.921 3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 17 98.910 13.074 4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.601 11.333 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.772 12.215 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 17 96.027 12.481 6.948 1.00 0.00 H new ATOM 287 N GLU A 18 94.815 15.302 6.315 1.00 0.00 N ATOM 288 CA GLU A 18 93.666 15.621 7.163 1.00 0.00 C ATOM 289 C GLU A 18 92.536 14.603 6.951 1.00 0.00 C ATOM 290 O GLU A 18 92.440 14.015 5.875 1.00 0.00 O ATOM 291 CB GLU A 18 93.150 17.031 6.854 1.00 0.00 C ATOM 292 CG GLU A 18 94.215 18.066 7.230 1.00 0.00 C ATOM 293 CD GLU A 18 94.117 18.393 8.717 1.00 0.00 C ATOM 294 OE1 GLU A 18 94.162 17.469 9.512 1.00 0.00 O ATOM 295 OE2 GLU A 18 94.000 19.564 9.038 1.00 0.00 O ATOM 0 H GLU A 18 94.608 15.253 5.317 1.00 0.00 H new ATOM 0 HA GLU A 18 93.991 15.577 8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.906 17.115 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 18 92.232 17.222 7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 18 95.208 17.680 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 18 94.079 18.972 6.639 1.00 0.00 H new ATOM 302 N PRO A 19 91.677 14.380 7.944 1.00 0.00 N ATOM 303 CA PRO A 19 90.543 13.406 7.817 1.00 0.00 C ATOM 304 C PRO A 19 89.651 13.719 6.612 1.00 0.00 C ATOM 305 O PRO A 19 89.135 12.813 5.951 1.00 0.00 O ATOM 306 CB PRO A 19 89.766 13.571 9.129 1.00 0.00 C ATOM 307 CG PRO A 19 90.750 14.128 10.101 1.00 0.00 C ATOM 308 CD PRO A 19 91.682 15.011 9.289 1.00 0.00 C ATOM 0 HA PRO A 19 90.896 12.388 7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 19 88.916 14.242 9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 19 89.369 12.616 9.474 1.00 0.00 H new ATOM 0 HG2 PRO A 19 90.248 14.702 10.880 1.00 0.00 H new ATOM 0 HG3 PRO A 19 91.302 13.331 10.599 1.00 0.00 H new ATOM 0 HD2 PRO A 19 91.326 16.041 9.250 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.684 15.036 9.716 1.00 0.00 H new ATOM 316 N SER A 20 89.488 15.012 6.343 1.00 0.00 N ATOM 317 CA SER A 20 88.668 15.474 5.218 1.00 0.00 C ATOM 318 C SER A 20 89.308 15.122 3.871 1.00 0.00 C ATOM 319 O SER A 20 88.613 15.055 2.852 1.00 0.00 O ATOM 320 CB SER A 20 88.470 16.988 5.302 1.00 0.00 C ATOM 321 OG SER A 20 87.333 17.357 4.532 1.00 0.00 O ATOM 0 H SER A 20 89.912 15.762 6.888 1.00 0.00 H new ATOM 0 HA SER A 20 87.705 14.968 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 20 88.334 17.291 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 20 89.357 17.503 4.932 1.00 0.00 H new ATOM 0 HG SER A 20 87.203 18.327 4.585 1.00 0.00 H new ATOM 327 N ASP A 21 90.629 14.909 3.872 1.00 0.00 N ATOM 328 CA ASP A 21 91.348 14.576 2.647 1.00 0.00 C ATOM 329 C ASP A 21 91.000 13.166 2.197 1.00 0.00 C ATOM 330 O ASP A 21 90.908 12.248 3.017 1.00 0.00 O ATOM 331 CB ASP A 21 92.863 14.686 2.873 1.00 0.00 C ATOM 332 CG ASP A 21 93.272 16.136 3.164 1.00 0.00 C ATOM 333 OD1 ASP A 21 92.574 17.044 2.728 1.00 0.00 O ATOM 334 OD2 ASP A 21 94.285 16.319 3.817 1.00 0.00 O ATOM 0 H ASP A 21 91.215 14.962 4.705 1.00 0.00 H new ATOM 0 HA ASP A 21 91.050 15.281 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 21 93.157 14.047 3.706 1.00 0.00 H new ATOM 0 HB3 ASP A 21 93.393 14.325 1.992 1.00 0.00 H new ATOM 339 N THR A 22 90.811 13.009 0.889 1.00 0.00 N ATOM 340 CA THR A 22 90.471 11.713 0.320 1.00 0.00 C ATOM 341 C THR A 22 91.726 10.890 0.079 1.00 0.00 C ATOM 342 O THR A 22 92.834 11.424 0.055 1.00 0.00 O ATOM 343 CB THR A 22 89.720 11.907 -0.998 1.00 0.00 C ATOM 344 OG1 THR A 22 90.388 12.891 -1.779 1.00 0.00 O ATOM 345 CG2 THR A 22 88.286 12.361 -0.720 1.00 0.00 C ATOM 0 H THR A 22 90.888 13.763 0.207 1.00 0.00 H new ATOM 0 HA THR A 22 89.834 11.180 1.026 1.00 0.00 H new ATOM 0 HB THR A 22 89.695 10.962 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.910 13.017 -2.625 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.758 12.497 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.774 11.606 -0.123 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.302 13.304 -0.174 1.00 0.00 H new ATOM 353 N ILE A 23 91.541 9.583 -0.072 1.00 0.00 N ATOM 354 CA ILE A 23 92.666 8.673 -0.285 1.00 0.00 C ATOM 355 C ILE A 23 93.393 9.047 -1.575 1.00 0.00 C ATOM 356 O ILE A 23 94.626 9.080 -1.608 1.00 0.00 O ATOM 357 CB ILE A 23 92.170 7.209 -0.339 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.333 6.868 0.930 1.00 0.00 C ATOM 359 CG2 ILE A 23 93.366 6.246 -0.469 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.158 7.004 2.227 1.00 0.00 C ATOM 0 H ILE A 23 90.628 9.129 -0.051 1.00 0.00 H new ATOM 0 HA ILE A 23 93.363 8.763 0.548 1.00 0.00 H new ATOM 0 HB ILE A 23 91.530 7.092 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.468 7.529 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 23 90.952 5.850 0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 23 93.004 5.219 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.916 6.470 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 23 94.026 6.367 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 23 91.532 6.756 3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 23 93.009 6.323 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 23 92.517 8.029 2.324 1.00 0.00 H new ATOM 372 N GLU A 24 92.626 9.343 -2.626 1.00 0.00 N ATOM 373 CA GLU A 24 93.214 9.731 -3.911 1.00 0.00 C ATOM 374 C GLU A 24 94.099 10.975 -3.743 1.00 0.00 C ATOM 375 O GLU A 24 95.138 11.105 -4.400 1.00 0.00 O ATOM 376 CB GLU A 24 92.096 10.039 -4.911 1.00 0.00 C ATOM 377 CG GLU A 24 92.693 10.210 -6.316 1.00 0.00 C ATOM 378 CD GLU A 24 93.238 8.879 -6.859 1.00 0.00 C ATOM 379 OE1 GLU A 24 93.026 7.847 -6.234 1.00 0.00 O ATOM 380 OE2 GLU A 24 93.867 8.914 -7.903 1.00 0.00 O ATOM 0 H GLU A 24 91.606 9.322 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 24 93.826 8.908 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.363 9.232 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 24 91.570 10.947 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 24 91.931 10.596 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 24 93.495 10.948 -6.285 1.00 0.00 H new ATOM 387 N ASN A 25 93.692 11.854 -2.824 1.00 0.00 N ATOM 388 CA ASN A 25 94.458 13.065 -2.527 1.00 0.00 C ATOM 389 C ASN A 25 95.772 12.716 -1.827 1.00 0.00 C ATOM 390 O ASN A 25 96.812 13.316 -2.105 1.00 0.00 O ATOM 391 CB ASN A 25 93.635 14.021 -1.654 1.00 0.00 C ATOM 392 CG ASN A 25 92.578 14.749 -2.492 1.00 0.00 C ATOM 393 OD1 ASN A 25 92.663 14.792 -3.723 1.00 0.00 O ATOM 394 ND2 ASN A 25 91.580 15.336 -1.893 1.00 0.00 N ATOM 0 H ASN A 25 92.839 11.750 -2.275 1.00 0.00 H new ATOM 0 HA ASN A 25 94.688 13.560 -3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.150 13.463 -0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.295 14.748 -1.181 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.874 15.828 -2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.505 15.304 -0.876 1.00 0.00 H new ATOM 401 N VAL A 26 95.702 11.745 -0.911 1.00 0.00 N ATOM 402 CA VAL A 26 96.876 11.309 -0.149 1.00 0.00 C ATOM 403 C VAL A 26 97.945 10.747 -1.088 1.00 0.00 C ATOM 404 O VAL A 26 99.133 11.035 -0.919 1.00 0.00 O ATOM 405 CB VAL A 26 96.466 10.242 0.891 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.692 9.753 1.682 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.448 10.841 1.872 1.00 0.00 C ATOM 0 H VAL A 26 94.843 11.246 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 26 97.292 12.171 0.373 1.00 0.00 H new ATOM 0 HB VAL A 26 96.025 9.398 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.381 9.002 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.417 9.315 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 26 98.148 10.595 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 26 95.161 10.086 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.895 11.693 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.565 11.170 1.324 1.00 0.00 H new ATOM 417 N LYS A 27 97.519 9.921 -2.048 1.00 0.00 N ATOM 418 CA LYS A 27 98.462 9.302 -2.980 1.00 0.00 C ATOM 419 C LYS A 27 99.314 10.371 -3.657 1.00 0.00 C ATOM 420 O LYS A 27 100.540 10.257 -3.693 1.00 0.00 O ATOM 421 CB LYS A 27 97.717 8.487 -4.036 1.00 0.00 C ATOM 422 CG LYS A 27 97.070 7.270 -3.371 1.00 0.00 C ATOM 423 CD LYS A 27 96.317 6.456 -4.423 1.00 0.00 C ATOM 424 CE LYS A 27 95.667 5.243 -3.756 1.00 0.00 C ATOM 425 NZ LYS A 27 94.913 4.462 -4.775 1.00 0.00 N ATOM 0 H LYS A 27 96.542 9.669 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 27 99.112 8.633 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.955 9.102 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.406 8.166 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.833 6.653 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.386 7.592 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.556 7.073 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 27 97.002 6.131 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 27 96.430 4.617 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 27 94.996 5.568 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.471 3.637 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 94.176 5.062 -5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 95.565 4.141 -5.519 1.00 0.00 H new ATOM 439 N ALA A 28 98.658 11.406 -4.189 1.00 0.00 N ATOM 440 CA ALA A 28 99.373 12.494 -4.866 1.00 0.00 C ATOM 441 C ALA A 28 100.475 13.061 -3.971 1.00 0.00 C ATOM 442 O ALA A 28 101.583 13.326 -4.441 1.00 0.00 O ATOM 443 CB ALA A 28 98.395 13.608 -5.243 1.00 0.00 C ATOM 0 H ALA A 28 97.644 11.514 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 28 99.831 12.090 -5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.934 14.411 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.631 13.211 -5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.921 13.997 -4.342 1.00 0.00 H new ATOM 449 N LYS A 29 100.169 13.226 -2.680 1.00 0.00 N ATOM 450 CA LYS A 29 101.153 13.744 -1.726 1.00 0.00 C ATOM 451 C LYS A 29 102.339 12.788 -1.631 1.00 0.00 C ATOM 452 O LYS A 29 103.497 13.215 -1.597 1.00 0.00 O ATOM 453 CB LYS A 29 100.520 13.899 -0.340 1.00 0.00 C ATOM 454 CG LYS A 29 99.486 15.026 -0.364 1.00 0.00 C ATOM 455 CD LYS A 29 98.851 15.163 1.024 1.00 0.00 C ATOM 456 CE LYS A 29 97.869 16.336 1.029 1.00 0.00 C ATOM 457 NZ LYS A 29 96.744 16.045 0.094 1.00 0.00 N ATOM 0 H LYS A 29 99.258 13.011 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 29 101.494 14.718 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 29 100.046 12.964 -0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.291 14.116 0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.960 15.964 -0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.718 14.814 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.333 14.242 1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.625 15.321 1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 29 97.486 16.500 2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 29 98.378 17.252 0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 95.947 16.681 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 97.060 16.193 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 96.439 15.058 0.214 1.00 0.00 H new ATOM 471 N ILE A 30 102.031 11.489 -1.589 1.00 0.00 N ATOM 472 CA ILE A 30 103.059 10.458 -1.499 1.00 0.00 C ATOM 473 C ILE A 30 103.942 10.499 -2.747 1.00 0.00 C ATOM 474 O ILE A 30 105.161 10.370 -2.650 1.00 0.00 O ATOM 475 CB ILE A 30 102.403 9.069 -1.346 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.664 9.009 0.000 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.480 7.962 -1.376 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.743 7.781 0.044 1.00 0.00 C ATOM 0 H ILE A 30 101.077 11.130 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 30 103.680 10.645 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 30 101.706 8.912 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.384 8.962 0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 30 101.079 9.917 0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 30 103.003 6.988 -1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 30 104.015 8.000 -2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.183 8.116 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.225 7.749 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 30 100.012 7.845 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.338 6.876 -0.077 1.00 0.00 H new ATOM 490 N GLN A 31 103.310 10.656 -3.914 1.00 0.00 N ATOM 491 CA GLN A 31 104.041 10.689 -5.180 1.00 0.00 C ATOM 492 C GLN A 31 105.178 11.709 -5.121 1.00 0.00 C ATOM 493 O GLN A 31 106.261 11.465 -5.648 1.00 0.00 O ATOM 494 CB GLN A 31 103.077 11.047 -6.325 1.00 0.00 C ATOM 495 CG GLN A 31 103.806 10.975 -7.676 1.00 0.00 C ATOM 496 CD GLN A 31 102.866 11.374 -8.809 1.00 0.00 C ATOM 497 OE1 GLN A 31 102.069 12.301 -8.660 1.00 0.00 O ATOM 498 NE2 GLN A 31 102.926 10.737 -9.945 1.00 0.00 N ATOM 0 H GLN A 31 102.300 10.762 -4.006 1.00 0.00 H new ATOM 0 HA GLN A 31 104.471 9.704 -5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 31 102.229 10.362 -6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.677 12.049 -6.173 1.00 0.00 H new ATOM 0 HG2 GLN A 31 104.673 11.636 -7.664 1.00 0.00 H new ATOM 0 HG3 GLN A 31 104.178 9.964 -7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 31 103.587 9.970 -10.065 1.00 0.00 H new ATOM 0 HE22 GLN A 31 102.312 11.006 -10.714 1.00 0.00 H new ATOM 507 N ASP A 32 104.913 12.848 -4.495 1.00 0.00 N ATOM 508 CA ASP A 32 105.911 13.910 -4.382 1.00 0.00 C ATOM 509 C ASP A 32 107.088 13.510 -3.484 1.00 0.00 C ATOM 510 O ASP A 32 108.224 13.918 -3.735 1.00 0.00 O ATOM 511 CB ASP A 32 105.256 15.179 -3.836 1.00 0.00 C ATOM 512 CG ASP A 32 104.620 15.970 -4.976 1.00 0.00 C ATOM 513 OD1 ASP A 32 105.268 16.126 -5.999 1.00 0.00 O ATOM 514 OD2 ASP A 32 103.490 16.400 -4.814 1.00 0.00 O ATOM 0 H ASP A 32 104.017 13.063 -4.057 1.00 0.00 H new ATOM 0 HA ASP A 32 106.308 14.092 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 32 104.499 14.918 -3.097 1.00 0.00 H new ATOM 0 HB3 ASP A 32 106.000 15.792 -3.328 1.00 0.00 H new ATOM 519 N LYS A 33 106.807 12.743 -2.425 1.00 0.00 N ATOM 520 CA LYS A 33 107.855 12.332 -1.479 1.00 0.00 C ATOM 521 C LYS A 33 108.639 11.097 -1.924 1.00 0.00 C ATOM 522 O LYS A 33 109.867 11.065 -1.788 1.00 0.00 O ATOM 523 CB LYS A 33 107.248 12.055 -0.104 1.00 0.00 C ATOM 524 CG LYS A 33 106.823 13.370 0.547 1.00 0.00 C ATOM 525 CD LYS A 33 106.200 13.094 1.913 1.00 0.00 C ATOM 526 CE LYS A 33 105.760 14.414 2.547 1.00 0.00 C ATOM 527 NZ LYS A 33 105.202 14.151 3.904 1.00 0.00 N ATOM 0 H LYS A 33 105.874 12.396 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 33 108.556 13.165 -1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.388 11.392 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 33 107.974 11.543 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.686 14.027 0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 33 106.107 13.888 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.345 12.426 1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 33 106.920 12.590 2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 33 106.607 15.097 2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 33 105.010 14.898 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 104.250 14.563 3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 105.148 13.125 4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 105.819 14.581 4.622 1.00 0.00 H new ATOM 541 N GLU A 34 107.936 10.081 -2.422 1.00 0.00 N ATOM 542 CA GLU A 34 108.584 8.836 -2.847 1.00 0.00 C ATOM 543 C GLU A 34 108.843 8.801 -4.356 1.00 0.00 C ATOM 544 O GLU A 34 109.591 7.942 -4.833 1.00 0.00 O ATOM 545 CB GLU A 34 107.698 7.644 -2.455 1.00 0.00 C ATOM 546 CG GLU A 34 107.652 7.515 -0.928 1.00 0.00 C ATOM 547 CD GLU A 34 106.757 6.345 -0.512 1.00 0.00 C ATOM 548 OE1 GLU A 34 105.684 6.210 -1.079 1.00 0.00 O ATOM 549 OE2 GLU A 34 107.160 5.601 0.369 1.00 0.00 O ATOM 0 H GLU A 34 106.923 10.092 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 34 109.550 8.779 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.691 7.782 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 34 108.089 6.727 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 34 108.659 7.365 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 34 107.277 8.440 -0.491 1.00 0.00 H new ATOM 556 N GLY A 35 108.237 9.731 -5.098 1.00 0.00 N ATOM 557 CA GLY A 35 108.421 9.790 -6.544 1.00 0.00 C ATOM 558 C GLY A 35 107.726 8.626 -7.252 1.00 0.00 C ATOM 559 O GLY A 35 108.084 8.298 -8.386 1.00 0.00 O ATOM 0 H GLY A 35 107.618 10.449 -4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 35 108.027 10.733 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.486 9.773 -6.776 1.00 0.00 H new ATOM 563 N ILE A 36 106.745 7.994 -6.586 1.00 0.00 N ATOM 564 CA ILE A 36 106.035 6.861 -7.188 1.00 0.00 C ATOM 565 C ILE A 36 104.613 7.274 -7.626 1.00 0.00 C ATOM 566 O ILE A 36 103.896 7.909 -6.844 1.00 0.00 O ATOM 567 CB ILE A 36 105.961 5.668 -6.213 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.385 5.243 -5.817 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.253 4.482 -6.897 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.335 4.361 -4.569 1.00 0.00 C ATOM 0 H ILE A 36 106.432 8.245 -5.648 1.00 0.00 H new ATOM 0 HA ILE A 36 106.597 6.551 -8.069 1.00 0.00 H new ATOM 0 HB ILE A 36 105.403 5.964 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.854 4.701 -6.638 1.00 0.00 H new ATOM 0 HG13 ILE A 36 107.997 6.124 -5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.202 3.641 -6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 36 104.244 4.777 -7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 36 105.812 4.188 -7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.347 4.063 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 36 106.884 4.918 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.739 3.472 -4.775 1.00 0.00 H new ATOM 582 N PRO A 37 104.183 6.922 -8.846 1.00 0.00 N ATOM 583 CA PRO A 37 102.821 7.280 -9.341 1.00 0.00 C ATOM 584 C PRO A 37 101.701 6.857 -8.366 1.00 0.00 C ATOM 585 O PRO A 37 101.825 5.820 -7.705 1.00 0.00 O ATOM 586 CB PRO A 37 102.692 6.532 -10.671 1.00 0.00 C ATOM 587 CG PRO A 37 104.086 6.290 -11.133 1.00 0.00 C ATOM 588 CD PRO A 37 104.935 6.162 -9.877 1.00 0.00 C ATOM 0 HA PRO A 37 102.710 8.360 -9.443 1.00 0.00 H new ATOM 0 HB2 PRO A 37 102.154 5.593 -10.542 1.00 0.00 H new ATOM 0 HB3 PRO A 37 102.135 7.121 -11.399 1.00 0.00 H new ATOM 0 HG2 PRO A 37 104.144 5.384 -11.736 1.00 0.00 H new ATOM 0 HG3 PRO A 37 104.437 7.111 -11.758 1.00 0.00 H new ATOM 0 HD2 PRO A 37 105.063 5.119 -9.588 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.932 6.575 -10.027 1.00 0.00 H new ATOM 596 N PRO A 38 100.612 7.628 -8.260 1.00 0.00 N ATOM 597 CA PRO A 38 99.476 7.290 -7.343 1.00 0.00 C ATOM 598 C PRO A 38 98.735 6.028 -7.784 1.00 0.00 C ATOM 599 O PRO A 38 98.230 5.273 -6.949 1.00 0.00 O ATOM 600 CB PRO A 38 98.560 8.518 -7.415 1.00 0.00 C ATOM 601 CG PRO A 38 98.891 9.201 -8.699 1.00 0.00 C ATOM 602 CD PRO A 38 100.348 8.890 -8.994 1.00 0.00 C ATOM 0 HA PRO A 38 99.822 7.076 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.511 8.224 -7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 38 98.728 9.180 -6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 38 98.248 8.845 -9.504 1.00 0.00 H new ATOM 0 HG3 PRO A 38 98.733 10.276 -8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 38 100.520 8.771 -10.064 1.00 0.00 H new ATOM 0 HD3 PRO A 38 101.002 9.692 -8.653 1.00 0.00 H new ATOM 610 N ASP A 39 98.684 5.805 -9.099 1.00 0.00 N ATOM 611 CA ASP A 39 98.009 4.630 -9.657 1.00 0.00 C ATOM 612 C ASP A 39 98.787 3.344 -9.362 1.00 0.00 C ATOM 613 O ASP A 39 98.210 2.253 -9.369 1.00 0.00 O ATOM 614 CB ASP A 39 97.852 4.786 -11.171 1.00 0.00 C ATOM 615 CG ASP A 39 99.221 4.961 -11.823 1.00 0.00 C ATOM 616 OD1 ASP A 39 99.539 4.179 -12.703 1.00 0.00 O ATOM 617 OD2 ASP A 39 99.929 5.877 -11.436 1.00 0.00 O ATOM 0 H ASP A 39 99.101 6.421 -9.797 1.00 0.00 H new ATOM 0 HA ASP A 39 97.029 4.557 -9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 39 97.352 3.910 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.222 5.647 -11.393 1.00 0.00 H new ATOM 622 N GLN A 40 100.097 3.479 -9.121 1.00 0.00 N ATOM 623 CA GLN A 40 100.944 2.315 -8.844 1.00 0.00 C ATOM 624 C GLN A 40 101.065 2.039 -7.337 1.00 0.00 C ATOM 625 O GLN A 40 101.871 1.204 -6.925 1.00 0.00 O ATOM 626 CB GLN A 40 102.344 2.539 -9.439 1.00 0.00 C ATOM 627 CG GLN A 40 103.020 1.184 -9.692 1.00 0.00 C ATOM 628 CD GLN A 40 104.434 1.383 -10.220 1.00 0.00 C ATOM 629 OE1 GLN A 40 105.279 1.967 -9.540 1.00 0.00 O ATOM 630 NE2 GLN A 40 104.743 0.919 -11.399 1.00 0.00 N ATOM 0 H GLN A 40 100.588 4.373 -9.112 1.00 0.00 H new ATOM 0 HA GLN A 40 100.474 1.447 -9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.268 3.099 -10.371 1.00 0.00 H new ATOM 0 HB3 GLN A 40 102.949 3.136 -8.757 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.049 0.607 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 40 102.436 0.608 -10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 40 104.039 0.436 -11.958 1.00 0.00 H new ATOM 0 HE22 GLN A 40 105.688 1.039 -11.762 1.00 0.00 H new ATOM 639 N GLN A 41 100.267 2.738 -6.521 1.00 0.00 N ATOM 640 CA GLN A 41 100.307 2.546 -5.073 1.00 0.00 C ATOM 641 C GLN A 41 98.937 2.166 -4.530 1.00 0.00 C ATOM 642 O GLN A 41 97.933 2.815 -4.829 1.00 0.00 O ATOM 643 CB GLN A 41 100.779 3.825 -4.385 1.00 0.00 C ATOM 644 CG GLN A 41 102.228 4.106 -4.772 1.00 0.00 C ATOM 645 CD GLN A 41 102.726 5.347 -4.043 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.755 5.377 -2.813 1.00 0.00 O ATOM 647 NE2 GLN A 41 103.109 6.383 -4.733 1.00 0.00 N ATOM 0 H GLN A 41 99.593 3.435 -6.838 1.00 0.00 H new ATOM 0 HA GLN A 41 101.005 1.735 -4.866 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.145 4.662 -4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 41 100.694 3.721 -3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 41 102.854 3.250 -4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.305 4.251 -5.850 1.00 0.00 H new ATOM 0 HE21 GLN A 41 103.084 6.355 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 41 103.434 7.223 -4.254 1.00 0.00 H new ATOM 656 N ARG A 42 98.921 1.117 -3.711 1.00 0.00 N ATOM 657 CA ARG A 42 97.697 0.642 -3.081 1.00 0.00 C ATOM 658 C ARG A 42 97.886 0.626 -1.574 1.00 0.00 C ATOM 659 O ARG A 42 98.800 -0.030 -1.069 1.00 0.00 O ATOM 660 CB ARG A 42 97.357 -0.769 -3.567 1.00 0.00 C ATOM 661 CG ARG A 42 96.722 -0.695 -4.954 1.00 0.00 C ATOM 662 CD ARG A 42 96.397 -2.103 -5.440 1.00 0.00 C ATOM 663 NE ARG A 42 95.680 -2.032 -6.715 1.00 0.00 N ATOM 664 CZ ARG A 42 95.044 -3.086 -7.258 1.00 0.00 C ATOM 665 NH1 ARG A 42 95.020 -4.257 -6.667 1.00 0.00 N ATOM 666 NH2 ARG A 42 94.434 -2.937 -8.401 1.00 0.00 N ATOM 0 H ARG A 42 99.752 0.577 -3.468 1.00 0.00 H new ATOM 0 HA ARG A 42 96.878 1.310 -3.348 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.259 -1.380 -3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.673 -1.250 -2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 42 95.814 -0.093 -4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 42 97.402 -0.206 -5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 42 97.315 -2.678 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 42 95.790 -2.623 -4.699 1.00 0.00 H new ATOM 0 HE ARG A 42 95.662 -1.143 -7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 42 95.492 -4.386 -5.772 1.00 0.00 H new ATOM 0 HH12 ARG A 42 94.530 -5.038 -7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 42 94.444 -2.031 -8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 42 93.947 -3.726 -8.826 1.00 0.00 H new ATOM 680 N LEU A 43 97.037 1.366 -0.863 1.00 0.00 N ATOM 681 CA LEU A 43 97.134 1.451 0.589 1.00 0.00 C ATOM 682 C LEU A 43 96.147 0.509 1.267 1.00 0.00 C ATOM 683 O LEU A 43 94.978 0.434 0.883 1.00 0.00 O ATOM 684 CB LEU A 43 96.845 2.888 1.036 1.00 0.00 C ATOM 685 CG LEU A 43 98.035 3.797 0.694 1.00 0.00 C ATOM 686 CD1 LEU A 43 97.598 5.262 0.770 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.170 3.560 1.697 1.00 0.00 C ATOM 0 H LEU A 43 96.278 1.913 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 43 98.143 1.159 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 43 95.944 3.255 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 43 96.656 2.912 2.109 1.00 0.00 H new ATOM 0 HG LEU A 43 98.383 3.568 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.443 5.907 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 43 96.791 5.438 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.249 5.486 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 43 100.013 4.206 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 43 98.819 3.787 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.486 2.518 1.649 1.00 0.00 H new ATOM 699 N ILE A 44 96.632 -0.183 2.299 1.00 0.00 N ATOM 700 CA ILE A 44 95.800 -1.100 3.072 1.00 0.00 C ATOM 701 C ILE A 44 95.871 -0.719 4.543 1.00 0.00 C ATOM 702 O ILE A 44 96.935 -0.376 5.066 1.00 0.00 O ATOM 703 CB ILE A 44 96.226 -2.567 2.869 1.00 0.00 C ATOM 704 CG1 ILE A 44 95.998 -2.940 1.394 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.385 -3.497 3.777 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.568 -4.330 1.098 1.00 0.00 C ATOM 0 H ILE A 44 97.599 -0.124 2.618 1.00 0.00 H new ATOM 0 HA ILE A 44 94.772 -1.016 2.720 1.00 0.00 H new ATOM 0 HB ILE A 44 97.278 -2.685 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 44 94.932 -2.922 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.472 -2.201 0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.695 -4.531 3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.538 -3.222 4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.329 -3.394 3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.398 -4.577 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.639 -4.335 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 44 96.074 -5.068 1.730 1.00 0.00 H new ATOM 718 N PHE A 45 94.720 -0.800 5.184 1.00 0.00 N ATOM 719 CA PHE A 45 94.606 -0.481 6.596 1.00 0.00 C ATOM 720 C PHE A 45 93.628 -1.434 7.266 1.00 0.00 C ATOM 721 O PHE A 45 92.451 -1.485 6.908 1.00 0.00 O ATOM 722 CB PHE A 45 94.129 0.971 6.765 1.00 0.00 C ATOM 723 CG PHE A 45 94.054 1.343 8.236 1.00 0.00 C ATOM 724 CD1 PHE A 45 92.809 1.552 8.845 1.00 0.00 C ATOM 725 CD2 PHE A 45 95.228 1.474 8.985 1.00 0.00 C ATOM 726 CE1 PHE A 45 92.740 1.892 10.200 1.00 0.00 C ATOM 727 CE2 PHE A 45 95.159 1.813 10.341 1.00 0.00 C ATOM 728 CZ PHE A 45 93.915 2.024 10.949 1.00 0.00 C ATOM 0 H PHE A 45 93.844 -1.086 4.746 1.00 0.00 H new ATOM 0 HA PHE A 45 95.583 -0.591 7.067 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.811 1.646 6.248 1.00 0.00 H new ATOM 0 HB3 PHE A 45 93.149 1.093 6.303 1.00 0.00 H new ATOM 0 HD1 PHE A 45 91.902 1.450 8.267 1.00 0.00 H new ATOM 0 HD2 PHE A 45 96.188 1.314 8.517 1.00 0.00 H new ATOM 0 HE1 PHE A 45 91.780 2.053 10.668 1.00 0.00 H new ATOM 0 HE2 PHE A 45 96.066 1.912 10.919 1.00 0.00 H new ATOM 0 HZ PHE A 45 93.862 2.288 11.995 1.00 0.00 H new ATOM 738 N ALA A 46 94.134 -2.178 8.251 1.00 0.00 N ATOM 739 CA ALA A 46 93.321 -3.140 9.009 1.00 0.00 C ATOM 740 C ALA A 46 92.967 -4.375 8.167 1.00 0.00 C ATOM 741 O ALA A 46 91.993 -5.073 8.466 1.00 0.00 O ATOM 742 CB ALA A 46 92.031 -2.470 9.515 1.00 0.00 C ATOM 0 H ALA A 46 95.109 -2.134 8.546 1.00 0.00 H new ATOM 0 HA ALA A 46 93.917 -3.471 9.859 1.00 0.00 H new ATOM 0 HB1 ALA A 46 91.440 -3.195 10.074 1.00 0.00 H new ATOM 0 HB2 ALA A 46 92.286 -1.632 10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.452 -2.108 8.666 1.00 0.00 H new ATOM 748 N GLY A 47 93.773 -4.652 7.136 1.00 0.00 N ATOM 749 CA GLY A 47 93.548 -5.820 6.277 1.00 0.00 C ATOM 750 C GLY A 47 92.614 -5.525 5.095 1.00 0.00 C ATOM 751 O GLY A 47 92.199 -6.449 4.392 1.00 0.00 O ATOM 0 H GLY A 47 94.582 -4.087 6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.506 -6.174 5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.125 -6.627 6.875 1.00 0.00 H new ATOM 755 N LYS A 48 92.291 -4.246 4.876 1.00 0.00 N ATOM 756 CA LYS A 48 91.405 -3.856 3.771 1.00 0.00 C ATOM 757 C LYS A 48 91.989 -2.670 3.006 1.00 0.00 C ATOM 758 O LYS A 48 92.672 -1.828 3.590 1.00 0.00 O ATOM 759 CB LYS A 48 90.005 -3.493 4.298 1.00 0.00 C ATOM 760 CG LYS A 48 90.102 -2.379 5.352 1.00 0.00 C ATOM 761 CD LYS A 48 88.702 -1.998 5.834 1.00 0.00 C ATOM 762 CE LYS A 48 88.811 -0.880 6.873 1.00 0.00 C ATOM 763 NZ LYS A 48 87.450 -0.516 7.361 1.00 0.00 N ATOM 0 H LYS A 48 92.626 -3.468 5.444 1.00 0.00 H new ATOM 0 HA LYS A 48 91.318 -4.707 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 48 89.372 -3.167 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.533 -4.374 4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 48 90.708 -2.714 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.600 -1.507 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 48 88.092 -1.670 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.206 -2.866 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.433 -1.205 7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 48 89.296 -0.008 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 87.526 0.244 8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 86.870 -0.189 6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 87.003 -1.348 7.795 1.00 0.00 H new ATOM 777 N GLN A 49 91.700 -2.604 1.707 1.00 0.00 N ATOM 778 CA GLN A 49 92.188 -1.510 0.872 1.00 0.00 C ATOM 779 C GLN A 49 91.395 -0.238 1.119 1.00 0.00 C ATOM 780 O GLN A 49 90.272 -0.282 1.626 1.00 0.00 O ATOM 781 CB GLN A 49 92.086 -1.885 -0.599 1.00 0.00 C ATOM 782 CG GLN A 49 93.156 -2.920 -0.943 1.00 0.00 C ATOM 783 CD GLN A 49 93.053 -3.319 -2.420 1.00 0.00 C ATOM 784 OE1 GLN A 49 92.206 -2.811 -3.164 1.00 0.00 O ATOM 785 NE2 GLN A 49 93.879 -4.203 -2.899 1.00 0.00 N ATOM 0 H GLN A 49 91.133 -3.293 1.213 1.00 0.00 H new ATOM 0 HA GLN A 49 93.231 -1.331 1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 49 91.096 -2.287 -0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 49 92.212 -0.998 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 49 94.146 -2.512 -0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 49 93.036 -3.801 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 49 94.581 -4.627 -2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 49 93.825 -4.472 -3.881 1.00 0.00 H new ATOM 794 N LEU A 50 91.995 0.891 0.746 1.00 0.00 N ATOM 795 CA LEU A 50 91.356 2.190 0.914 1.00 0.00 C ATOM 796 C LEU A 50 90.836 2.698 -0.423 1.00 0.00 C ATOM 797 O LEU A 50 91.613 2.969 -1.341 1.00 0.00 O ATOM 798 CB LEU A 50 92.364 3.184 1.497 1.00 0.00 C ATOM 799 CG LEU A 50 92.741 2.766 2.925 1.00 0.00 C ATOM 800 CD1 LEU A 50 93.987 3.534 3.366 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.591 3.093 3.887 1.00 0.00 C ATOM 0 H LEU A 50 92.923 0.930 0.325 1.00 0.00 H new ATOM 0 HA LEU A 50 90.513 2.088 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.256 3.220 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 50 91.938 4.187 1.503 1.00 0.00 H new ATOM 0 HG LEU A 50 92.936 1.694 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.257 3.239 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 50 94.812 3.307 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.782 4.604 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 50 91.866 2.793 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.394 4.165 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 50 90.695 2.553 3.580 1.00 0.00 H new ATOM 813 N GLU A 51 89.513 2.807 -0.518 1.00 0.00 N ATOM 814 CA GLU A 51 88.866 3.267 -1.745 1.00 0.00 C ATOM 815 C GLU A 51 89.239 4.717 -2.031 1.00 0.00 C ATOM 816 O GLU A 51 89.126 5.583 -1.159 1.00 0.00 O ATOM 817 CB GLU A 51 87.347 3.140 -1.612 1.00 0.00 C ATOM 818 CG GLU A 51 86.688 3.324 -2.984 1.00 0.00 C ATOM 819 CD GLU A 51 85.173 3.160 -2.884 1.00 0.00 C ATOM 820 OE1 GLU A 51 84.519 4.099 -2.465 1.00 0.00 O ATOM 821 OE2 GLU A 51 84.689 2.093 -3.232 1.00 0.00 O ATOM 0 H GLU A 51 88.868 2.583 0.240 1.00 0.00 H new ATOM 0 HA GLU A 51 89.208 2.647 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 51 87.089 2.163 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 51 86.970 3.888 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 51 86.926 4.312 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 51 87.092 2.595 -3.687 1.00 0.00 H new ATOM 828 N ASP A 52 89.706 4.959 -3.253 1.00 0.00 N ATOM 829 CA ASP A 52 90.128 6.298 -3.667 1.00 0.00 C ATOM 830 C ASP A 52 88.997 7.317 -3.508 1.00 0.00 C ATOM 831 O ASP A 52 89.254 8.480 -3.181 1.00 0.00 O ATOM 832 CB ASP A 52 90.585 6.270 -5.128 1.00 0.00 C ATOM 833 CG ASP A 52 89.431 5.856 -6.039 1.00 0.00 C ATOM 834 OD1 ASP A 52 89.233 6.516 -7.044 1.00 0.00 O ATOM 835 OD2 ASP A 52 88.768 4.882 -5.721 1.00 0.00 O ATOM 0 H ASP A 52 89.803 4.246 -3.976 1.00 0.00 H new ATOM 0 HA ASP A 52 90.954 6.601 -3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 52 90.952 7.254 -5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 52 91.415 5.573 -5.243 1.00 0.00 H new ATOM 840 N GLY A 53 87.762 6.876 -3.755 1.00 0.00 N ATOM 841 CA GLY A 53 86.591 7.755 -3.654 1.00 0.00 C ATOM 842 C GLY A 53 86.078 7.908 -2.216 1.00 0.00 C ATOM 843 O GLY A 53 84.983 8.434 -2.006 1.00 0.00 O ATOM 0 H GLY A 53 87.545 5.917 -4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.847 8.738 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.791 7.358 -4.279 1.00 0.00 H new ATOM 847 N ARG A 54 86.870 7.457 -1.238 1.00 0.00 N ATOM 848 CA ARG A 54 86.488 7.560 0.170 1.00 0.00 C ATOM 849 C ARG A 54 87.444 8.469 0.920 1.00 0.00 C ATOM 850 O ARG A 54 88.547 8.747 0.449 1.00 0.00 O ATOM 851 CB ARG A 54 86.473 6.175 0.819 1.00 0.00 C ATOM 852 CG ARG A 54 85.288 5.367 0.283 1.00 0.00 C ATOM 853 CD ARG A 54 83.997 5.835 0.955 1.00 0.00 C ATOM 854 NE ARG A 54 82.869 5.027 0.484 1.00 0.00 N ATOM 855 CZ ARG A 54 82.121 5.371 -0.581 1.00 0.00 C ATOM 856 NH1 ARG A 54 82.367 6.463 -1.275 1.00 0.00 N ATOM 857 NH2 ARG A 54 81.134 4.601 -0.938 1.00 0.00 N ATOM 0 H ARG A 54 87.777 7.018 -1.397 1.00 0.00 H new ATOM 0 HA ARG A 54 85.487 7.988 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.407 5.654 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.400 6.271 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 54 85.212 5.489 -0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.444 4.305 0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 54 84.089 5.751 2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.821 6.887 0.731 1.00 0.00 H new ATOM 0 HE ARG A 54 82.641 4.168 0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 54 83.141 7.072 -1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 54 81.784 6.699 -2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 54 80.936 3.749 -0.413 1.00 0.00 H new ATOM 0 HH22 ARG A 54 80.559 4.849 -1.743 1.00 0.00 H new ATOM 871 N THR A 55 87.004 8.927 2.094 1.00 0.00 N ATOM 872 CA THR A 55 87.819 9.817 2.920 1.00 0.00 C ATOM 873 C THR A 55 88.389 9.076 4.123 1.00 0.00 C ATOM 874 O THR A 55 87.899 8.008 4.501 1.00 0.00 O ATOM 875 CB THR A 55 86.989 11.017 3.393 1.00 0.00 C ATOM 876 OG1 THR A 55 85.886 10.554 4.157 1.00 0.00 O ATOM 877 CG2 THR A 55 86.485 11.816 2.185 1.00 0.00 C ATOM 0 H THR A 55 86.093 8.697 2.491 1.00 0.00 H new ATOM 0 HA THR A 55 88.648 10.175 2.310 1.00 0.00 H new ATOM 0 HB THR A 55 87.612 11.666 4.009 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.250 10.095 3.569 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.897 12.666 2.531 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.336 12.175 1.606 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.864 11.176 1.559 1.00 0.00 H new ATOM 885 N LEU A 56 89.445 9.648 4.698 1.00 0.00 N ATOM 886 CA LEU A 56 90.122 9.049 5.844 1.00 0.00 C ATOM 887 C LEU A 56 89.190 8.953 7.048 1.00 0.00 C ATOM 888 O LEU A 56 89.186 7.941 7.754 1.00 0.00 O ATOM 889 CB LEU A 56 91.356 9.881 6.210 1.00 0.00 C ATOM 890 CG LEU A 56 92.397 9.803 5.083 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.479 10.859 5.314 1.00 0.00 C ATOM 892 CD2 LEU A 56 93.052 8.415 5.064 1.00 0.00 C ATOM 0 H LEU A 56 89.851 10.530 4.386 1.00 0.00 H new ATOM 0 HA LEU A 56 90.428 8.040 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 56 91.068 10.919 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.788 9.515 7.141 1.00 0.00 H new ATOM 0 HG LEU A 56 91.898 9.981 4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.218 10.804 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 56 93.025 11.850 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.967 10.677 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.788 8.371 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.545 8.232 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.289 7.655 4.898 1.00 0.00 H new ATOM 904 N SER A 57 88.401 10.005 7.277 1.00 0.00 N ATOM 905 CA SER A 57 87.463 10.023 8.402 1.00 0.00 C ATOM 906 C SER A 57 86.445 8.887 8.277 1.00 0.00 C ATOM 907 O SER A 57 85.990 8.338 9.284 1.00 0.00 O ATOM 908 CB SER A 57 86.727 11.359 8.458 1.00 0.00 C ATOM 909 OG SER A 57 86.000 11.547 7.252 1.00 0.00 O ATOM 0 H SER A 57 88.392 10.849 6.704 1.00 0.00 H new ATOM 0 HA SER A 57 88.035 9.887 9.320 1.00 0.00 H new ATOM 0 HB2 SER A 57 86.049 11.378 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 57 87.438 12.173 8.598 1.00 0.00 H new ATOM 0 HG SER A 57 85.525 12.404 7.286 1.00 0.00 H new ATOM 915 N ASP A 58 86.103 8.543 7.036 1.00 0.00 N ATOM 916 CA ASP A 58 85.143 7.470 6.769 1.00 0.00 C ATOM 917 C ASP A 58 85.709 6.094 7.133 1.00 0.00 C ATOM 918 O ASP A 58 84.951 5.129 7.265 1.00 0.00 O ATOM 919 CB ASP A 58 84.748 7.487 5.288 1.00 0.00 C ATOM 920 CG ASP A 58 83.873 8.707 4.968 1.00 0.00 C ATOM 921 OD1 ASP A 58 83.290 9.272 5.885 1.00 0.00 O ATOM 922 OD2 ASP A 58 83.809 9.068 3.806 1.00 0.00 O ATOM 0 H ASP A 58 86.476 8.991 6.199 1.00 0.00 H new ATOM 0 HA ASP A 58 84.267 7.646 7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 58 85.645 7.505 4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 58 84.208 6.573 5.041 1.00 0.00 H new ATOM 927 N TYR A 59 87.036 6.006 7.281 1.00 0.00 N ATOM 928 CA TYR A 59 87.685 4.739 7.616 1.00 0.00 C ATOM 929 C TYR A 59 88.041 4.646 9.102 1.00 0.00 C ATOM 930 O TYR A 59 88.767 3.730 9.499 1.00 0.00 O ATOM 931 CB TYR A 59 88.961 4.566 6.782 1.00 0.00 C ATOM 932 CG TYR A 59 88.603 4.131 5.377 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.642 5.055 4.328 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.233 2.803 5.125 1.00 0.00 C ATOM 935 CE1 TYR A 59 88.314 4.657 3.030 1.00 0.00 C ATOM 936 CE2 TYR A 59 87.903 2.403 3.824 1.00 0.00 C ATOM 937 CZ TYR A 59 87.945 3.330 2.777 1.00 0.00 C ATOM 938 OH TYR A 59 87.617 2.939 1.496 1.00 0.00 O ATOM 0 H TYR A 59 87.676 6.793 7.174 1.00 0.00 H new ATOM 0 HA TYR A 59 86.974 3.945 7.389 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.516 5.504 6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.612 3.825 7.247 1.00 0.00 H new ATOM 0 HD1 TYR A 59 88.926 6.079 4.522 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.202 2.088 5.934 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.345 5.373 2.222 1.00 0.00 H new ATOM 0 HE2 TYR A 59 87.616 1.380 3.629 1.00 0.00 H new ATOM 0 HH TYR A 59 87.386 1.987 1.494 1.00 0.00 H new ATOM 948 N ASN A 60 87.531 5.575 9.924 1.00 0.00 N ATOM 949 CA ASN A 60 87.811 5.554 11.358 1.00 0.00 C ATOM 950 C ASN A 60 89.323 5.578 11.614 1.00 0.00 C ATOM 951 O ASN A 60 89.855 4.783 12.401 1.00 0.00 O ATOM 952 CB ASN A 60 87.176 4.308 11.991 1.00 0.00 C ATOM 953 CG ASN A 60 85.657 4.373 11.866 1.00 0.00 C ATOM 954 OD1 ASN A 60 85.061 5.431 12.068 1.00 0.00 O ATOM 955 ND2 ASN A 60 84.994 3.297 11.542 1.00 0.00 N ATOM 0 H ASN A 60 86.929 6.341 9.620 1.00 0.00 H new ATOM 0 HA ASN A 60 87.378 6.443 11.816 1.00 0.00 H new ATOM 0 HB2 ASN A 60 87.551 3.410 11.500 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.460 4.239 13.041 1.00 0.00 H new ATOM 0 HD21 ASN A 60 83.978 3.331 11.455 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.491 2.422 11.375 1.00 0.00 H new ATOM 962 N ILE A 61 90.006 6.508 10.944 1.00 0.00 N ATOM 963 CA ILE A 61 91.455 6.652 11.098 1.00 0.00 C ATOM 964 C ILE A 61 91.736 7.836 12.020 1.00 0.00 C ATOM 965 O ILE A 61 91.331 8.965 11.731 1.00 0.00 O ATOM 966 CB ILE A 61 92.125 6.878 9.727 1.00 0.00 C ATOM 967 CG1 ILE A 61 91.795 5.703 8.785 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.652 6.970 9.900 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.109 6.090 7.335 1.00 0.00 C ATOM 0 H ILE A 61 89.582 7.169 10.293 1.00 0.00 H new ATOM 0 HA ILE A 61 91.866 5.740 11.530 1.00 0.00 H new ATOM 0 HB ILE A 61 91.749 7.808 9.300 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.374 4.824 9.069 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.743 5.435 8.879 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.119 7.130 8.928 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.894 7.803 10.560 1.00 0.00 H new ATOM 0 HG23 ILE A 61 94.026 6.043 10.334 1.00 0.00 H new ATOM 0 HD11 ILE A 61 91.873 5.254 6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.510 6.956 7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.167 6.335 7.245 1.00 0.00 H new ATOM 981 N GLN A 62 92.419 7.562 13.130 1.00 0.00 N ATOM 982 CA GLN A 62 92.744 8.599 14.102 1.00 0.00 C ATOM 983 C GLN A 62 94.129 9.189 13.832 1.00 0.00 C ATOM 984 O GLN A 62 94.790 8.826 12.856 1.00 0.00 O ATOM 985 CB GLN A 62 92.688 8.009 15.515 1.00 0.00 C ATOM 986 CG GLN A 62 91.240 7.641 15.860 1.00 0.00 C ATOM 987 CD GLN A 62 91.170 6.941 17.224 1.00 0.00 C ATOM 988 OE1 GLN A 62 92.180 6.797 17.924 1.00 0.00 O ATOM 989 NE2 GLN A 62 90.023 6.488 17.648 1.00 0.00 N ATOM 0 H GLN A 62 92.757 6.632 13.377 1.00 0.00 H new ATOM 0 HA GLN A 62 92.013 9.403 14.013 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.323 7.125 15.577 1.00 0.00 H new ATOM 0 HB3 GLN A 62 93.073 8.729 16.237 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.624 8.540 15.875 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.832 6.988 15.089 1.00 0.00 H new ATOM 0 HE21 GLN A 62 89.186 6.603 17.076 1.00 0.00 H new ATOM 0 HE22 GLN A 62 89.963 6.018 18.551 1.00 0.00 H new ATOM 998 N LYS A 63 94.550 10.099 14.711 1.00 0.00 N ATOM 999 CA LYS A 63 95.844 10.757 14.597 1.00 0.00 C ATOM 1000 C LYS A 63 96.983 9.759 14.775 1.00 0.00 C ATOM 1001 O LYS A 63 96.904 8.856 15.608 1.00 0.00 O ATOM 1002 CB LYS A 63 95.950 11.844 15.665 1.00 0.00 C ATOM 1003 CG LYS A 63 94.975 12.973 15.331 1.00 0.00 C ATOM 1004 CD LYS A 63 95.073 14.067 16.396 1.00 0.00 C ATOM 1005 CE LYS A 63 94.131 15.216 16.032 1.00 0.00 C ATOM 1006 NZ LYS A 63 94.244 16.298 17.050 1.00 0.00 N ATOM 0 H LYS A 63 94.003 10.397 15.518 1.00 0.00 H new ATOM 0 HA LYS A 63 95.924 11.196 13.603 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.722 11.429 16.647 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.969 12.229 15.710 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.204 13.386 14.349 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.957 12.586 15.285 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.811 13.663 17.374 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.098 14.431 16.466 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.380 15.605 15.045 1.00 0.00 H new ATOM 0 HE3 LYS A 63 93.104 14.855 15.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 93.603 17.078 16.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 93.986 15.923 17.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 95.223 16.649 17.076 1.00 0.00 H new ATOM 1020 N GLU A 64 98.039 9.942 13.980 1.00 0.00 N ATOM 1021 CA GLU A 64 99.206 9.066 14.032 1.00 0.00 C ATOM 1022 C GLU A 64 98.793 7.604 13.857 1.00 0.00 C ATOM 1023 O GLU A 64 98.492 6.903 14.831 1.00 0.00 O ATOM 1024 CB GLU A 64 99.942 9.251 15.360 1.00 0.00 C ATOM 1025 CG GLU A 64 100.593 10.643 15.407 1.00 0.00 C ATOM 1026 CD GLU A 64 101.285 10.893 16.758 1.00 0.00 C ATOM 1027 OE1 GLU A 64 101.276 10.007 17.604 1.00 0.00 O ATOM 1028 OE2 GLU A 64 101.824 11.974 16.924 1.00 0.00 O ATOM 0 H GLU A 64 98.108 10.692 13.292 1.00 0.00 H new ATOM 0 HA GLU A 64 99.875 9.334 13.214 1.00 0.00 H new ATOM 0 HB2 GLU A 64 99.246 9.137 16.191 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.704 8.480 15.474 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.321 10.733 14.601 1.00 0.00 H new ATOM 0 HG3 GLU A 64 99.834 11.407 15.238 1.00 0.00 H new ATOM 1035 N SER A 65 98.782 7.160 12.603 1.00 0.00 N ATOM 1036 CA SER A 65 98.412 5.788 12.271 1.00 0.00 C ATOM 1037 C SER A 65 99.399 5.218 11.263 1.00 0.00 C ATOM 1038 O SER A 65 99.964 5.962 10.455 1.00 0.00 O ATOM 1039 CB SER A 65 96.997 5.754 11.691 1.00 0.00 C ATOM 1040 OG SER A 65 96.597 4.404 11.504 1.00 0.00 O ATOM 0 H SER A 65 99.027 7.734 11.796 1.00 0.00 H new ATOM 0 HA SER A 65 98.437 5.183 13.177 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.304 6.261 12.363 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.968 6.288 10.741 1.00 0.00 H new ATOM 0 HG SER A 65 95.976 4.349 10.748 1.00 0.00 H new ATOM 1046 N THR A 66 99.607 3.900 11.317 1.00 0.00 N ATOM 1047 CA THR A 66 100.539 3.245 10.402 1.00 0.00 C ATOM 1048 C THR A 66 99.788 2.552 9.270 1.00 0.00 C ATOM 1049 O THR A 66 99.062 1.581 9.493 1.00 0.00 O ATOM 1050 CB THR A 66 101.383 2.219 11.162 1.00 0.00 C ATOM 1051 OG1 THR A 66 101.896 2.818 12.344 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.546 1.757 10.281 1.00 0.00 C ATOM 0 H THR A 66 99.147 3.273 11.977 1.00 0.00 H new ATOM 0 HA THR A 66 101.191 4.007 9.974 1.00 0.00 H new ATOM 0 HB THR A 66 100.764 1.361 11.423 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.436 2.164 12.835 1.00 0.00 H new ATOM 0 HG21 THR A 66 103.146 1.027 10.824 1.00 0.00 H new ATOM 0 HG22 THR A 66 102.155 1.301 9.371 1.00 0.00 H new ATOM 0 HG23 THR A 66 103.167 2.614 10.019 1.00 0.00 H new ATOM 1060 N LEU A 67 99.977 3.069 8.056 1.00 0.00 N ATOM 1061 CA LEU A 67 99.324 2.516 6.873 1.00 0.00 C ATOM 1062 C LEU A 67 100.278 1.589 6.130 1.00 0.00 C ATOM 1063 O LEU A 67 101.499 1.750 6.209 1.00 0.00 O ATOM 1064 CB LEU A 67 98.894 3.650 5.936 1.00 0.00 C ATOM 1065 CG LEU A 67 97.826 4.518 6.616 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.668 5.830 5.844 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.483 3.782 6.621 1.00 0.00 C ATOM 0 H LEU A 67 100.578 3.871 7.867 1.00 0.00 H new ATOM 0 HA LEU A 67 98.448 1.952 7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.757 4.261 5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.501 3.236 5.008 1.00 0.00 H new ATOM 0 HG LEU A 67 98.135 4.723 7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.910 6.447 6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.618 6.364 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.363 5.615 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.729 4.403 7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.178 3.574 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.584 2.844 7.166 1.00 0.00 H new ATOM 1079 N HIS A 68 99.707 0.630 5.403 1.00 0.00 N ATOM 1080 CA HIS A 68 100.504 -0.318 4.632 1.00 0.00 C ATOM 1081 C HIS A 68 100.499 0.073 3.162 1.00 0.00 C ATOM 1082 O HIS A 68 99.434 0.226 2.556 1.00 0.00 O ATOM 1083 CB HIS A 68 99.946 -1.733 4.786 1.00 0.00 C ATOM 1084 CG HIS A 68 100.155 -2.199 6.199 1.00 0.00 C ATOM 1085 ND1 HIS A 68 101.420 -2.426 6.717 1.00 0.00 N ATOM 1086 CD2 HIS A 68 99.276 -2.490 7.211 1.00 0.00 C ATOM 1087 CE1 HIS A 68 101.270 -2.833 7.990 1.00 0.00 C ATOM 1088 NE2 HIS A 68 99.982 -2.890 8.343 1.00 0.00 N ATOM 0 H HIS A 68 98.699 0.490 5.333 1.00 0.00 H new ATOM 0 HA HIS A 68 101.527 -0.297 5.009 1.00 0.00 H new ATOM 0 HB2 HIS A 68 98.884 -1.746 4.540 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.443 -2.410 4.091 1.00 0.00 H new ATOM 0 HD2 HIS A 68 98.201 -2.420 7.141 1.00 0.00 H new ATOM 0 HE1 HIS A 68 102.090 -3.083 8.647 1.00 0.00 H new ATOM 0 HE2 HIS A 68 99.599 -3.167 9.247 1.00 0.00 H new ATOM 1096 N LEU A 69 101.696 0.237 2.599 1.00 0.00 N ATOM 1097 CA LEU A 69 101.834 0.614 1.197 1.00 0.00 C ATOM 1098 C LEU A 69 102.329 -0.569 0.382 1.00 0.00 C ATOM 1099 O LEU A 69 103.274 -1.254 0.779 1.00 0.00 O ATOM 1100 CB LEU A 69 102.825 1.775 1.046 1.00 0.00 C ATOM 1101 CG LEU A 69 102.773 2.316 -0.393 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.499 3.145 -0.587 1.00 0.00 C ATOM 1103 CD2 LEU A 69 103.999 3.192 -0.666 1.00 0.00 C ATOM 0 H LEU A 69 102.580 0.115 3.093 1.00 0.00 H new ATOM 0 HA LEU A 69 100.855 0.927 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.581 2.569 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 69 103.834 1.438 1.282 1.00 0.00 H new ATOM 0 HG LEU A 69 102.770 1.477 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.465 3.527 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.626 2.518 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.498 3.980 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.955 3.571 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.011 4.029 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 69 104.905 2.600 -0.538 1.00 0.00 H new ATOM 1115 N VAL A 70 101.694 -0.787 -0.765 1.00 0.00 N ATOM 1116 CA VAL A 70 102.068 -1.869 -1.665 1.00 0.00 C ATOM 1117 C VAL A 70 102.174 -1.288 -3.070 1.00 0.00 C ATOM 1118 O VAL A 70 101.436 -0.358 -3.406 1.00 0.00 O ATOM 1119 CB VAL A 70 101.004 -2.989 -1.635 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.454 -4.163 -2.516 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.804 -3.489 -0.190 1.00 0.00 C ATOM 0 H VAL A 70 100.911 -0.222 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 70 103.019 -2.303 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 70 100.064 -2.587 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.699 -4.948 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.584 -3.819 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.400 -4.556 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 70 100.052 -4.278 -0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.746 -3.880 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.472 -2.663 0.438 1.00 0.00 H new ATOM 1131 N LEU A 71 103.080 -1.826 -3.885 1.00 0.00 N ATOM 1132 CA LEU A 71 103.249 -1.337 -5.253 1.00 0.00 C ATOM 1133 C LEU A 71 102.519 -2.229 -6.240 1.00 0.00 C ATOM 1134 O LEU A 71 102.665 -3.452 -6.206 1.00 0.00 O ATOM 1135 CB LEU A 71 104.747 -1.277 -5.613 1.00 0.00 C ATOM 1136 CG LEU A 71 105.324 0.103 -5.262 1.00 0.00 C ATOM 1137 CD1 LEU A 71 105.408 0.265 -3.742 1.00 0.00 C ATOM 1138 CD2 LEU A 71 106.723 0.247 -5.865 1.00 0.00 C ATOM 0 H LEU A 71 103.702 -2.592 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 71 102.824 -0.335 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.289 -2.054 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 71 104.881 -1.475 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 71 104.669 0.873 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.818 1.246 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 71 104.411 0.173 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 71 106.055 -0.509 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 71 107.128 1.227 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.374 -0.529 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 71 106.664 0.146 -6.949 1.00 0.00 H new ATOM 1150 N ARG A 72 101.746 -1.601 -7.125 1.00 0.00 N ATOM 1151 CA ARG A 72 100.999 -2.335 -8.135 1.00 0.00 C ATOM 1152 C ARG A 72 101.783 -2.359 -9.450 1.00 0.00 C ATOM 1153 O ARG A 72 101.630 -1.472 -10.296 1.00 0.00 O ATOM 1154 CB ARG A 72 99.631 -1.683 -8.350 1.00 0.00 C ATOM 1155 CG ARG A 72 98.798 -2.546 -9.303 1.00 0.00 C ATOM 1156 CD ARG A 72 97.488 -1.842 -9.600 1.00 0.00 C ATOM 1157 NE ARG A 72 97.724 -0.656 -10.429 1.00 0.00 N ATOM 1158 CZ ARG A 72 96.735 0.177 -10.808 1.00 0.00 C ATOM 1159 NH1 ARG A 72 95.487 -0.027 -10.454 1.00 0.00 N ATOM 1160 NH2 ARG A 72 97.025 1.211 -11.550 1.00 0.00 N ATOM 0 H ARG A 72 101.623 -0.589 -7.160 1.00 0.00 H new ATOM 0 HA ARG A 72 100.852 -3.359 -7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 72 99.115 -1.573 -7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 72 99.754 -0.682 -8.763 1.00 0.00 H new ATOM 0 HG2 ARG A 72 99.348 -2.722 -10.228 1.00 0.00 H new ATOM 0 HG3 ARG A 72 98.607 -3.521 -8.856 1.00 0.00 H new ATOM 0 HD2 ARG A 72 96.809 -2.523 -10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 72 97.004 -1.552 -8.668 1.00 0.00 H new ATOM 0 HE ARG A 72 98.677 -0.453 -10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 72 95.246 -0.833 -9.877 1.00 0.00 H new ATOM 0 HH12 ARG A 72 94.759 0.621 -10.756 1.00 0.00 H new ATOM 0 HH21 ARG A 72 97.990 1.380 -11.835 1.00 0.00 H new ATOM 0 HH22 ARG A 72 96.287 1.850 -11.845 1.00 0.00 H new ATOM 1174 N LEU A 73 102.620 -3.381 -9.610 1.00 0.00 N ATOM 1175 CA LEU A 73 103.428 -3.526 -10.807 1.00 0.00 C ATOM 1176 C LEU A 73 102.589 -4.093 -11.944 1.00 0.00 C ATOM 1177 O LEU A 73 101.733 -4.956 -11.722 1.00 0.00 O ATOM 1178 CB LEU A 73 104.621 -4.451 -10.526 1.00 0.00 C ATOM 1179 CG LEU A 73 105.607 -4.399 -11.696 1.00 0.00 C ATOM 1180 CD1 LEU A 73 106.385 -3.082 -11.659 1.00 0.00 C ATOM 1181 CD2 LEU A 73 106.591 -5.569 -11.604 1.00 0.00 C ATOM 0 H LEU A 73 102.753 -4.121 -8.920 1.00 0.00 H new ATOM 0 HA LEU A 73 103.799 -2.544 -11.100 1.00 0.00 H new ATOM 0 HB2 LEU A 73 105.119 -4.147 -9.605 1.00 0.00 H new ATOM 0 HB3 LEU A 73 104.273 -5.473 -10.378 1.00 0.00 H new ATOM 0 HG LEU A 73 105.049 -4.468 -12.630 1.00 0.00 H new ATOM 0 HD11 LEU A 73 107.085 -3.050 -12.494 1.00 0.00 H new ATOM 0 HD12 LEU A 73 105.690 -2.246 -11.736 1.00 0.00 H new ATOM 0 HD13 LEU A 73 106.935 -3.011 -10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.289 -5.524 -12.440 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.144 -5.507 -10.667 1.00 0.00 H new ATOM 0 HD23 LEU A 73 106.042 -6.510 -11.640 1.00 0.00 H new ATOM 1193 N ARG A 74 102.845 -3.608 -13.159 1.00 0.00 N ATOM 1194 CA ARG A 74 102.120 -4.076 -14.334 1.00 0.00 C ATOM 1195 C ARG A 74 102.429 -5.548 -14.593 1.00 0.00 C ATOM 1196 O ARG A 74 101.527 -6.341 -14.871 1.00 0.00 O ATOM 1197 CB ARG A 74 102.505 -3.235 -15.554 1.00 0.00 C ATOM 1198 CG ARG A 74 101.914 -1.831 -15.412 1.00 0.00 C ATOM 1199 CD ARG A 74 102.324 -0.975 -16.610 1.00 0.00 C ATOM 1200 NE ARG A 74 101.728 0.362 -16.497 1.00 0.00 N ATOM 1201 CZ ARG A 74 101.715 1.245 -17.513 1.00 0.00 C ATOM 1202 NH1 ARG A 74 102.246 0.963 -18.680 1.00 0.00 N ATOM 1203 NH2 ARG A 74 101.154 2.410 -17.335 1.00 0.00 N ATOM 0 H ARG A 74 103.547 -2.894 -13.352 1.00 0.00 H new ATOM 0 HA ARG A 74 101.050 -3.970 -14.153 1.00 0.00 H new ATOM 0 HB2 ARG A 74 103.590 -3.177 -15.642 1.00 0.00 H new ATOM 0 HB3 ARG A 74 102.136 -3.706 -16.465 1.00 0.00 H new ATOM 0 HG2 ARG A 74 100.827 -1.888 -15.349 1.00 0.00 H new ATOM 0 HG3 ARG A 74 102.263 -1.371 -14.488 1.00 0.00 H new ATOM 0 HD2 ARG A 74 103.410 -0.896 -16.656 1.00 0.00 H new ATOM 0 HD3 ARG A 74 101.999 -1.450 -17.536 1.00 0.00 H new ATOM 0 HE ARG A 74 101.305 0.634 -15.609 1.00 0.00 H new ATOM 0 HH11 ARG A 74 102.683 0.055 -18.835 1.00 0.00 H new ATOM 0 HH12 ARG A 74 102.221 1.652 -19.432 1.00 0.00 H new ATOM 0 HH21 ARG A 74 100.733 2.641 -16.435 1.00 0.00 H new ATOM 0 HH22 ARG A 74 101.137 3.089 -18.096 1.00 0.00 H new ATOM 1217 N GLY A 75 103.713 -5.902 -14.482 1.00 0.00 N ATOM 1218 CA GLY A 75 104.151 -7.278 -14.692 1.00 0.00 C ATOM 1219 C GLY A 75 105.668 -7.389 -14.581 1.00 0.00 C ATOM 1220 O GLY A 75 106.356 -6.386 -14.366 1.00 0.00 O ATOM 0 H GLY A 75 104.464 -5.253 -14.248 1.00 0.00 H new ATOM 0 HA2 GLY A 75 103.680 -7.930 -13.957 1.00 0.00 H new ATOM 0 HA3 GLY A 75 103.828 -7.621 -15.675 1.00 0.00 H new ATOM 1224 N GLY A 76 106.178 -8.612 -14.733 1.00 0.00 N ATOM 1225 CA GLY A 76 107.616 -8.858 -14.652 1.00 0.00 C ATOM 1226 C GLY A 76 108.138 -8.580 -13.246 1.00 0.00 C ATOM 1227 O GLY A 76 109.346 -8.527 -13.084 1.00 0.00 O ATOM 1228 OXT GLY A 76 107.322 -8.423 -12.352 1.00 0.00 O ATOM 0 H GLY A 76 105.617 -9.445 -14.912 1.00 0.00 H new ATOM 0 HA2 GLY A 76 107.828 -9.892 -14.925 1.00 0.00 H new ATOM 0 HA3 GLY A 76 108.138 -8.225 -15.370 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 116.405 -11.934 -9.159 1.00 0.00 N ATOM 1234 CA GLN B 198 116.522 -11.794 -7.680 1.00 0.00 C ATOM 1235 C GLN B 198 115.169 -12.098 -7.043 1.00 0.00 C ATOM 1236 O GLN B 198 114.144 -11.537 -7.443 1.00 0.00 O ATOM 1237 CB GLN B 198 116.962 -10.366 -7.337 1.00 0.00 C ATOM 1238 CG GLN B 198 118.399 -10.135 -7.823 1.00 0.00 C ATOM 1239 CD GLN B 198 118.818 -8.689 -7.569 1.00 0.00 C ATOM 1240 OE1 GLN B 198 118.072 -7.759 -7.880 1.00 0.00 O ATOM 1241 NE2 GLN B 198 119.980 -8.442 -7.026 1.00 0.00 N ATOM 0 HA GLN B 198 117.265 -12.493 -7.295 1.00 0.00 H new ATOM 0 HB2 GLN B 198 116.290 -9.646 -7.804 1.00 0.00 H new ATOM 0 HB3 GLN B 198 116.902 -10.206 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN B 198 119.078 -10.814 -7.307 1.00 0.00 H new ATOM 0 HG3 GLN B 198 118.471 -10.360 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN B 198 120.597 -9.213 -6.769 1.00 0.00 H new ATOM 0 HE22 GLN B 198 120.270 -7.479 -6.859 1.00 0.00 H new ATOM 1250 N VAL B 199 115.178 -12.996 -6.055 1.00 0.00 N ATOM 1251 CA VAL B 199 113.950 -13.387 -5.360 1.00 0.00 C ATOM 1252 C VAL B 199 113.567 -12.304 -4.354 1.00 0.00 C ATOM 1253 O VAL B 199 114.401 -11.847 -3.569 1.00 0.00 O ATOM 1254 CB VAL B 199 114.145 -14.734 -4.633 1.00 0.00 C ATOM 1255 CG1 VAL B 199 112.842 -15.160 -3.939 1.00 0.00 C ATOM 1256 CG2 VAL B 199 114.546 -15.818 -5.640 1.00 0.00 C ATOM 0 H VAL B 199 116.019 -13.465 -5.719 1.00 0.00 H new ATOM 0 HA VAL B 199 113.151 -13.503 -6.093 1.00 0.00 H new ATOM 0 HB VAL B 199 114.931 -14.611 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL B 199 112.995 -16.112 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL B 199 112.553 -14.402 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL B 199 112.052 -15.269 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL B 199 114.682 -16.766 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL B 199 113.763 -15.925 -6.390 1.00 0.00 H new ATOM 0 HG23 VAL B 199 115.479 -15.535 -6.127 1.00 0.00 H new ATOM 1266 N THR B 200 112.302 -11.904 -4.396 1.00 0.00 N ATOM 1267 CA THR B 200 111.791 -10.869 -3.502 1.00 0.00 C ATOM 1268 C THR B 200 110.488 -11.321 -2.858 1.00 0.00 C ATOM 1269 O THR B 200 109.610 -11.860 -3.533 1.00 0.00 O ATOM 1270 CB THR B 200 111.554 -9.563 -4.278 1.00 0.00 C ATOM 1271 OG1 THR B 200 110.903 -8.627 -3.434 1.00 0.00 O ATOM 1272 CG2 THR B 200 110.683 -9.831 -5.513 1.00 0.00 C ATOM 0 H THR B 200 111.608 -12.281 -5.041 1.00 0.00 H new ATOM 0 HA THR B 200 112.532 -10.693 -2.723 1.00 0.00 H new ATOM 0 HB THR B 200 112.514 -9.162 -4.603 1.00 0.00 H new ATOM 0 HG1 THR B 200 110.488 -7.927 -3.980 1.00 0.00 H new ATOM 0 HG21 THR B 200 110.522 -8.899 -6.054 1.00 0.00 H new ATOM 0 HG22 THR B 200 111.185 -10.547 -6.164 1.00 0.00 H new ATOM 0 HG23 THR B 200 109.722 -10.239 -5.199 1.00 0.00 H new ATOM 1280 N LYS B 201 110.376 -11.097 -1.549 1.00 0.00 N ATOM 1281 CA LYS B 201 109.179 -11.477 -0.805 1.00 0.00 C ATOM 1282 C LYS B 201 108.728 -10.338 0.100 1.00 0.00 C ATOM 1283 O LYS B 201 109.548 -9.560 0.593 1.00 0.00 O ATOM 1284 CB LYS B 201 109.457 -12.731 0.027 1.00 0.00 C ATOM 1285 CG LYS B 201 109.635 -13.931 -0.908 1.00 0.00 C ATOM 1286 CD LYS B 201 109.933 -15.185 -0.086 1.00 0.00 C ATOM 1287 CE LYS B 201 110.098 -16.381 -1.025 1.00 0.00 C ATOM 1288 NZ LYS B 201 110.335 -17.611 -0.219 1.00 0.00 N ATOM 0 H LYS B 201 111.100 -10.654 -0.983 1.00 0.00 H new ATOM 0 HA LYS B 201 108.381 -11.691 -1.516 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.354 -12.589 0.630 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.634 -12.913 0.718 1.00 0.00 H new ATOM 0 HG2 LYS B 201 108.733 -14.079 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.449 -13.741 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS B 201 110.840 -15.041 0.501 1.00 0.00 H new ATOM 0 HD3 LYS B 201 109.123 -15.372 0.620 1.00 0.00 H new ATOM 0 HE2 LYS B 201 109.206 -16.501 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS B 201 110.933 -16.212 -1.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 110.448 -18.426 -0.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 111.198 -17.493 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 109.525 -17.774 0.412 1.00 0.00 H new ATOM 1302 N VAL B 202 107.419 -10.258 0.307 1.00 0.00 N ATOM 1303 CA VAL B 202 106.830 -9.224 1.156 1.00 0.00 C ATOM 1304 C VAL B 202 105.721 -9.816 2.016 1.00 0.00 C ATOM 1305 O VAL B 202 104.900 -10.598 1.533 1.00 0.00 O ATOM 1306 CB VAL B 202 106.277 -8.066 0.307 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.434 -7.346 -0.393 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.293 -8.597 -0.745 1.00 0.00 C ATOM 0 H VAL B 202 106.740 -10.900 -0.103 1.00 0.00 H new ATOM 0 HA VAL B 202 107.613 -8.831 1.805 1.00 0.00 H new ATOM 0 HB VAL B 202 105.752 -7.370 0.961 1.00 0.00 H new ATOM 0 HG11 VAL B 202 107.042 -6.526 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL B 202 108.122 -6.951 0.354 1.00 0.00 H new ATOM 0 HG13 VAL B 202 107.963 -8.048 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL B 202 104.910 -7.766 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL B 202 105.805 -9.303 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.464 -9.099 -0.247 1.00 0.00 H new ATOM 1318 N ASP B 203 105.723 -9.449 3.297 1.00 0.00 N ATOM 1319 CA ASP B 203 104.730 -9.951 4.243 1.00 0.00 C ATOM 1320 C ASP B 203 103.352 -9.368 3.947 1.00 0.00 C ATOM 1321 O ASP B 203 103.246 -8.222 3.505 1.00 0.00 O ATOM 1322 CB ASP B 203 105.145 -9.577 5.666 1.00 0.00 C ATOM 1323 CG ASP B 203 106.271 -10.489 6.143 1.00 0.00 C ATOM 1324 OD1 ASP B 203 107.222 -9.974 6.709 1.00 0.00 O ATOM 1325 OD2 ASP B 203 106.164 -11.688 5.945 1.00 0.00 O ATOM 0 H ASP B 203 106.402 -8.805 3.703 1.00 0.00 H new ATOM 0 HA ASP B 203 104.676 -11.035 4.144 1.00 0.00 H new ATOM 0 HB2 ASP B 203 105.472 -8.538 5.696 1.00 0.00 H new ATOM 0 HB3 ASP B 203 104.290 -9.662 6.336 1.00 0.00 H new ATOM 1330 N CYS B 204 102.299 -10.157 4.201 1.00 0.00 N ATOM 1331 CA CYS B 204 100.932 -9.682 3.962 1.00 0.00 C ATOM 1332 C CYS B 204 100.397 -8.944 5.211 1.00 0.00 C ATOM 1333 O CYS B 204 100.348 -9.534 6.280 1.00 0.00 O ATOM 1334 CB CYS B 204 99.991 -10.846 3.617 1.00 0.00 C ATOM 1335 SG CYS B 204 98.315 -10.215 3.293 1.00 0.00 S ATOM 0 H CYS B 204 102.365 -11.108 4.564 1.00 0.00 H new ATOM 0 HA CYS B 204 100.962 -8.996 3.115 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.364 -11.379 2.742 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.967 -11.561 4.439 1.00 0.00 H new ATOM 1340 N PRO B 205 99.998 -7.679 5.119 1.00 0.00 N ATOM 1341 CA PRO B 205 99.466 -6.923 6.309 1.00 0.00 C ATOM 1342 C PRO B 205 98.075 -7.408 6.751 1.00 0.00 C ATOM 1343 O PRO B 205 97.594 -7.050 7.829 1.00 0.00 O ATOM 1344 CB PRO B 205 99.404 -5.471 5.819 1.00 0.00 C ATOM 1345 CG PRO B 205 99.303 -5.542 4.332 1.00 0.00 C ATOM 1346 CD PRO B 205 99.988 -6.835 3.901 1.00 0.00 C ATOM 0 HA PRO B 205 100.098 -7.061 7.186 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.545 -4.952 6.244 1.00 0.00 H new ATOM 0 HB3 PRO B 205 100.293 -4.918 6.124 1.00 0.00 H new ATOM 0 HG2 PRO B 205 98.260 -5.534 4.015 1.00 0.00 H new ATOM 0 HG3 PRO B 205 99.783 -4.679 3.871 1.00 0.00 H new ATOM 0 HD2 PRO B 205 99.446 -7.319 3.088 1.00 0.00 H new ATOM 0 HD3 PRO B 205 101.000 -6.647 3.541 1.00 0.00 H new ATOM 1354 N VAL B 206 97.440 -8.204 5.893 1.00 0.00 N ATOM 1355 CA VAL B 206 96.093 -8.734 6.135 1.00 0.00 C ATOM 1356 C VAL B 206 96.128 -10.011 6.954 1.00 0.00 C ATOM 1357 O VAL B 206 95.386 -10.169 7.929 1.00 0.00 O ATOM 1358 CB VAL B 206 95.439 -9.118 4.791 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.959 -9.481 4.983 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.573 -7.990 3.764 1.00 0.00 C ATOM 0 H VAL B 206 97.844 -8.503 5.005 1.00 0.00 H new ATOM 0 HA VAL B 206 95.542 -7.957 6.664 1.00 0.00 H new ATOM 0 HB VAL B 206 95.967 -9.993 4.411 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.522 -9.748 4.021 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.877 -10.327 5.665 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.426 -8.626 5.399 1.00 0.00 H new ATOM 0 HG21 VAL B 206 95.102 -8.292 2.828 1.00 0.00 H new ATOM 0 HG22 VAL B 206 95.084 -7.093 4.143 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.628 -7.781 3.588 1.00 0.00 H new ATOM 1370 N CYS B 207 96.939 -10.948 6.482 1.00 0.00 N ATOM 1371 CA CYS B 207 97.022 -12.263 7.080 1.00 0.00 C ATOM 1372 C CYS B 207 98.432 -12.604 7.568 1.00 0.00 C ATOM 1373 O CYS B 207 98.624 -13.615 8.244 1.00 0.00 O ATOM 1374 CB CYS B 207 96.524 -13.264 6.025 1.00 0.00 C ATOM 1375 SG CYS B 207 97.794 -13.589 4.762 1.00 0.00 S ATOM 0 H CYS B 207 97.553 -10.814 5.678 1.00 0.00 H new ATOM 0 HA CYS B 207 96.402 -12.303 7.976 1.00 0.00 H new ATOM 0 HB2 CYS B 207 96.246 -14.199 6.512 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.626 -12.874 5.547 1.00 0.00 H new ATOM 1380 N GLY B 208 99.406 -11.767 7.212 1.00 0.00 N ATOM 1381 CA GLY B 208 100.785 -11.996 7.616 1.00 0.00 C ATOM 1382 C GLY B 208 101.277 -13.345 7.123 1.00 0.00 C ATOM 1383 O GLY B 208 101.382 -14.296 7.898 1.00 0.00 O ATOM 0 H GLY B 208 99.263 -10.930 6.648 1.00 0.00 H new ATOM 0 HA2 GLY B 208 101.421 -11.205 7.218 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.862 -11.951 8.702 1.00 0.00 H new ATOM 1387 N VAL B 209 101.570 -13.412 5.825 1.00 0.00 N ATOM 1388 CA VAL B 209 102.061 -14.636 5.207 1.00 0.00 C ATOM 1389 C VAL B 209 103.187 -14.296 4.234 1.00 0.00 C ATOM 1390 O VAL B 209 103.108 -13.300 3.506 1.00 0.00 O ATOM 1391 CB VAL B 209 100.906 -15.367 4.487 1.00 0.00 C ATOM 1392 CG1 VAL B 209 101.428 -16.576 3.697 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.896 -15.854 5.527 1.00 0.00 C ATOM 0 H VAL B 209 101.474 -12.627 5.181 1.00 0.00 H new ATOM 0 HA VAL B 209 102.453 -15.303 5.975 1.00 0.00 H new ATOM 0 HB VAL B 209 100.436 -14.671 3.792 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.595 -17.073 3.200 1.00 0.00 H new ATOM 0 HG12 VAL B 209 102.148 -16.240 2.951 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.912 -17.275 4.379 1.00 0.00 H new ATOM 0 HG21 VAL B 209 99.078 -16.371 5.025 1.00 0.00 H new ATOM 0 HG22 VAL B 209 100.387 -16.538 6.219 1.00 0.00 H new ATOM 0 HG23 VAL B 209 99.502 -15.001 6.079 1.00 0.00 H new ATOM 1403 N ASN B 210 104.216 -15.138 4.223 1.00 0.00 N ATOM 1404 CA ASN B 210 105.348 -14.936 3.330 1.00 0.00 C ATOM 1405 C ASN B 210 104.881 -15.160 1.906 1.00 0.00 C ATOM 1406 O ASN B 210 104.341 -16.224 1.585 1.00 0.00 O ATOM 1407 CB ASN B 210 106.471 -15.912 3.674 1.00 0.00 C ATOM 1408 CG ASN B 210 107.401 -15.289 4.702 1.00 0.00 C ATOM 1409 OD1 ASN B 210 107.492 -15.768 5.831 1.00 0.00 O ATOM 1410 ND2 ASN B 210 108.100 -14.239 4.375 1.00 0.00 N ATOM 0 H ASN B 210 104.288 -15.962 4.820 1.00 0.00 H new ATOM 0 HA ASN B 210 105.732 -13.922 3.441 1.00 0.00 H new ATOM 0 HB2 ASN B 210 106.052 -16.839 4.065 1.00 0.00 H new ATOM 0 HB3 ASN B 210 107.030 -16.169 2.774 1.00 0.00 H new ATOM 0 HD21 ASN B 210 108.726 -13.811 5.057 1.00 0.00 H new ATOM 0 HD22 ASN B 210 108.021 -13.846 3.437 1.00 0.00 H new ATOM 1417 N ILE B 211 105.074 -14.149 1.058 1.00 0.00 N ATOM 1418 CA ILE B 211 104.645 -14.246 -0.337 1.00 0.00 C ATOM 1419 C ILE B 211 105.579 -13.436 -1.257 1.00 0.00 C ATOM 1420 O ILE B 211 105.986 -12.336 -0.879 1.00 0.00 O ATOM 1421 CB ILE B 211 103.194 -13.732 -0.497 1.00 0.00 C ATOM 1422 CG1 ILE B 211 102.240 -14.518 0.426 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.726 -13.918 -1.955 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.918 -13.771 0.593 1.00 0.00 C ATOM 0 H ILE B 211 105.518 -13.265 1.308 1.00 0.00 H new ATOM 0 HA ILE B 211 104.688 -15.296 -0.625 1.00 0.00 H new ATOM 0 HB ILE B 211 103.177 -12.675 -0.230 1.00 0.00 H new ATOM 0 HG12 ILE B 211 102.055 -15.508 0.009 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.707 -14.665 1.400 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.704 -13.554 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.381 -13.357 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.762 -14.975 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE B 211 100.258 -14.341 1.247 1.00 0.00 H new ATOM 0 HD12 ILE B 211 101.107 -12.791 1.032 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.445 -13.647 -0.381 1.00 0.00 H new ATOM 1436 N PRO B 212 105.891 -13.924 -2.460 1.00 0.00 N ATOM 1437 CA PRO B 212 106.754 -13.172 -3.417 1.00 0.00 C ATOM 1438 C PRO B 212 106.169 -11.791 -3.709 1.00 0.00 C ATOM 1439 O PRO B 212 104.954 -11.599 -3.629 1.00 0.00 O ATOM 1440 CB PRO B 212 106.773 -14.042 -4.678 1.00 0.00 C ATOM 1441 CG PRO B 212 106.406 -15.413 -4.224 1.00 0.00 C ATOM 1442 CD PRO B 212 105.483 -15.231 -3.034 1.00 0.00 C ATOM 0 HA PRO B 212 107.755 -12.995 -3.024 1.00 0.00 H new ATOM 0 HB2 PRO B 212 106.065 -13.672 -5.420 1.00 0.00 H new ATOM 0 HB3 PRO B 212 107.758 -14.034 -5.145 1.00 0.00 H new ATOM 0 HG2 PRO B 212 105.910 -15.967 -5.021 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.293 -15.981 -3.945 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.436 -15.224 -3.338 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.600 -16.038 -2.311 1.00 0.00 H new ATOM 1450 N GLU B 213 107.043 -10.838 -4.033 1.00 0.00 N ATOM 1451 CA GLU B 213 106.604 -9.471 -4.329 1.00 0.00 C ATOM 1452 C GLU B 213 105.712 -9.435 -5.573 1.00 0.00 C ATOM 1453 O GLU B 213 105.004 -8.455 -5.796 1.00 0.00 O ATOM 1454 CB GLU B 213 107.819 -8.563 -4.529 1.00 0.00 C ATOM 1455 CG GLU B 213 107.376 -7.095 -4.564 1.00 0.00 C ATOM 1456 CD GLU B 213 108.586 -6.147 -4.557 1.00 0.00 C ATOM 1457 OE1 GLU B 213 108.398 -4.992 -4.892 1.00 0.00 O ATOM 1458 OE2 GLU B 213 109.675 -6.578 -4.199 1.00 0.00 O ATOM 0 H GLU B 213 108.051 -10.983 -4.097 1.00 0.00 H new ATOM 0 HA GLU B 213 106.020 -9.111 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.535 -8.716 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU B 213 108.327 -8.821 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU B 213 106.775 -6.915 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU B 213 106.741 -6.884 -3.704 1.00 0.00 H new ATOM 1465 N SER B 214 105.765 -10.497 -6.382 1.00 0.00 N ATOM 1466 CA SER B 214 104.968 -10.579 -7.599 1.00 0.00 C ATOM 1467 C SER B 214 103.585 -11.160 -7.307 1.00 0.00 C ATOM 1468 O SER B 214 102.574 -10.661 -7.805 1.00 0.00 O ATOM 1469 CB SER B 214 105.683 -11.462 -8.621 1.00 0.00 C ATOM 1470 OG SER B 214 105.938 -12.735 -8.043 1.00 0.00 O ATOM 0 H SER B 214 106.355 -11.312 -6.211 1.00 0.00 H new ATOM 0 HA SER B 214 104.845 -9.572 -7.998 1.00 0.00 H new ATOM 0 HB2 SER B 214 105.070 -11.572 -9.516 1.00 0.00 H new ATOM 0 HB3 SER B 214 106.619 -10.996 -8.930 1.00 0.00 H new ATOM 0 HG SER B 214 105.123 -13.278 -8.075 1.00 0.00 H new ATOM 1476 N HIS B 215 103.554 -12.220 -6.494 1.00 0.00 N ATOM 1477 CA HIS B 215 102.292 -12.883 -6.132 1.00 0.00 C ATOM 1478 C HIS B 215 101.492 -12.076 -5.101 1.00 0.00 C ATOM 1479 O HIS B 215 100.403 -12.496 -4.705 1.00 0.00 O ATOM 1480 CB HIS B 215 102.590 -14.267 -5.550 1.00 0.00 C ATOM 1481 CG HIS B 215 103.013 -15.202 -6.649 1.00 0.00 C ATOM 1482 ND1 HIS B 215 104.301 -15.214 -7.160 1.00 0.00 N ATOM 1483 CD2 HIS B 215 102.323 -16.157 -7.349 1.00 0.00 C ATOM 1484 CE1 HIS B 215 104.345 -16.148 -8.126 1.00 0.00 C ATOM 1485 NE2 HIS B 215 103.164 -16.754 -8.283 1.00 0.00 N ATOM 0 H HIS B 215 104.384 -12.638 -6.074 1.00 0.00 H new ATOM 0 HA HIS B 215 101.694 -12.965 -7.040 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.377 -14.194 -4.799 1.00 0.00 H new ATOM 0 HB3 HIS B 215 101.705 -14.658 -5.048 1.00 0.00 H new ATOM 0 HD2 HIS B 215 101.283 -16.408 -7.198 1.00 0.00 H new ATOM 0 HE1 HIS B 215 105.227 -16.380 -8.705 1.00 0.00 H new ATOM 0 HE2 HIS B 215 102.930 -17.494 -8.945 1.00 0.00 H new ATOM 1493 N ILE B 216 102.037 -10.936 -4.670 1.00 0.00 N ATOM 1494 CA ILE B 216 101.372 -10.096 -3.687 1.00 0.00 C ATOM 1495 C ILE B 216 100.084 -9.491 -4.253 1.00 0.00 C ATOM 1496 O ILE B 216 99.084 -9.382 -3.541 1.00 0.00 O ATOM 1497 CB ILE B 216 102.331 -8.984 -3.207 1.00 0.00 C ATOM 1498 CG1 ILE B 216 101.696 -8.224 -2.027 1.00 0.00 C ATOM 1499 CG2 ILE B 216 102.641 -8.002 -4.350 1.00 0.00 C ATOM 1500 CD1 ILE B 216 101.655 -9.117 -0.778 1.00 0.00 C ATOM 0 H ILE B 216 102.937 -10.579 -4.990 1.00 0.00 H new ATOM 0 HA ILE B 216 101.097 -10.718 -2.835 1.00 0.00 H new ATOM 0 HB ILE B 216 103.264 -9.446 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE B 216 102.268 -7.320 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE B 216 100.686 -7.908 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE B 216 103.318 -7.227 -3.990 1.00 0.00 H new ATOM 0 HG22 ILE B 216 103.110 -8.539 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE B 216 101.715 -7.543 -4.696 1.00 0.00 H new ATOM 0 HD11 ILE B 216 101.204 -8.567 0.048 1.00 0.00 H new ATOM 0 HD12 ILE B 216 101.063 -10.008 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE B 216 102.669 -9.411 -0.507 1.00 0.00 H new ATOM 1512 N ASN B 217 100.133 -9.080 -5.522 1.00 0.00 N ATOM 1513 CA ASN B 217 98.971 -8.469 -6.162 1.00 0.00 C ATOM 1514 C ASN B 217 97.815 -9.459 -6.228 1.00 0.00 C ATOM 1515 O ASN B 217 96.697 -9.146 -5.808 1.00 0.00 O ATOM 1516 CB ASN B 217 99.342 -8.010 -7.578 1.00 0.00 C ATOM 1517 CG ASN B 217 100.091 -6.677 -7.526 1.00 0.00 C ATOM 1518 OD1 ASN B 217 99.864 -5.863 -6.628 1.00 0.00 O ATOM 1519 ND2 ASN B 217 100.975 -6.402 -8.446 1.00 0.00 N ATOM 0 H ASN B 217 100.956 -9.159 -6.119 1.00 0.00 H new ATOM 0 HA ASN B 217 98.659 -7.608 -5.571 1.00 0.00 H new ATOM 0 HB2 ASN B 217 99.963 -8.765 -8.061 1.00 0.00 H new ATOM 0 HB3 ASN B 217 98.440 -7.905 -8.181 1.00 0.00 H new ATOM 0 HD21 ASN B 217 101.477 -5.515 -8.422 1.00 0.00 H new ATOM 0 HD22 ASN B 217 101.164 -7.075 -9.189 1.00 0.00 H new ATOM 1526 N LYS B 218 98.101 -10.663 -6.728 1.00 0.00 N ATOM 1527 CA LYS B 218 97.082 -11.712 -6.820 1.00 0.00 C ATOM 1528 C LYS B 218 96.655 -12.127 -5.415 1.00 0.00 C ATOM 1529 O LYS B 218 95.464 -12.311 -5.154 1.00 0.00 O ATOM 1530 CB LYS B 218 97.632 -12.924 -7.576 1.00 0.00 C ATOM 1531 CG LYS B 218 96.502 -13.925 -7.830 1.00 0.00 C ATOM 1532 CD LYS B 218 97.033 -15.103 -8.645 1.00 0.00 C ATOM 1533 CE LYS B 218 95.894 -16.082 -8.924 1.00 0.00 C ATOM 1534 NZ LYS B 218 96.405 -17.201 -9.763 1.00 0.00 N ATOM 0 H LYS B 218 99.022 -10.935 -7.073 1.00 0.00 H new ATOM 0 HA LYS B 218 96.220 -11.325 -7.364 1.00 0.00 H new ATOM 0 HB2 LYS B 218 98.071 -12.607 -8.522 1.00 0.00 H new ATOM 0 HB3 LYS B 218 98.427 -13.396 -6.998 1.00 0.00 H new ATOM 0 HG2 LYS B 218 96.097 -14.279 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS B 218 95.686 -13.439 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS B 218 97.460 -14.748 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS B 218 97.833 -15.605 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS B 218 95.493 -16.468 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS B 218 95.077 -15.572 -9.435 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 95.633 -17.871 -9.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 96.768 -16.823 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 97.171 -17.691 -9.259 1.00 0.00 H new ATOM 1548 N HIS B 219 97.635 -12.280 -4.523 1.00 0.00 N ATOM 1549 CA HIS B 219 97.346 -12.673 -3.149 1.00 0.00 C ATOM 1550 C HIS B 219 96.414 -11.653 -2.489 1.00 0.00 C ATOM 1551 O HIS B 219 95.493 -12.044 -1.783 1.00 0.00 O ATOM 1552 CB HIS B 219 98.642 -12.817 -2.329 1.00 0.00 C ATOM 1553 CG HIS B 219 98.280 -13.103 -0.891 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.832 -14.340 -0.458 1.00 0.00 N ATOM 1555 CD2 HIS B 219 98.214 -12.277 0.201 1.00 0.00 C ATOM 1556 CE1 HIS B 219 97.510 -14.219 0.846 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.728 -12.980 1.295 1.00 0.00 N ATOM 0 H HIS B 219 98.624 -12.139 -4.727 1.00 0.00 H new ATOM 0 HA HIS B 219 96.850 -13.643 -3.173 1.00 0.00 H new ATOM 0 HB2 HIS B 219 99.255 -13.623 -2.731 1.00 0.00 H new ATOM 0 HB3 HIS B 219 99.233 -11.904 -2.395 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.759 -15.187 -1.022 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.498 -11.235 0.209 1.00 0.00 H new ATOM 0 HE1 HIS B 219 97.123 -15.025 1.453 1.00 0.00 H new ATOM 1564 N LEU B 220 96.660 -10.363 -2.716 1.00 0.00 N ATOM 1565 CA LEU B 220 95.822 -9.322 -2.113 1.00 0.00 C ATOM 1566 C LEU B 220 94.382 -9.486 -2.579 1.00 0.00 C ATOM 1567 O LEU B 220 93.446 -9.303 -1.797 1.00 0.00 O ATOM 1568 CB LEU B 220 96.347 -7.931 -2.480 1.00 0.00 C ATOM 1569 CG LEU B 220 97.544 -7.571 -1.587 1.00 0.00 C ATOM 1570 CD1 LEU B 220 98.284 -6.379 -2.191 1.00 0.00 C ATOM 1571 CD2 LEU B 220 97.048 -7.201 -0.182 1.00 0.00 C ATOM 0 H LEU B 220 97.419 -10.016 -3.302 1.00 0.00 H new ATOM 0 HA LEU B 220 95.858 -9.425 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.645 -7.910 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.556 -7.191 -2.359 1.00 0.00 H new ATOM 0 HG LEU B 220 98.216 -8.427 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU B 220 99.134 -6.121 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.638 -6.638 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.608 -5.526 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU B 220 97.899 -6.946 0.449 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.376 -6.346 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.516 -8.048 0.251 1.00 0.00 H new ATOM 1583 N ASP B 221 94.215 -9.845 -3.853 1.00 0.00 N ATOM 1584 CA ASP B 221 92.887 -10.060 -4.423 1.00 0.00 C ATOM 1585 C ASP B 221 92.173 -11.210 -3.707 1.00 0.00 C ATOM 1586 O ASP B 221 90.958 -11.163 -3.506 1.00 0.00 O ATOM 1587 CB ASP B 221 93.015 -10.377 -5.916 1.00 0.00 C ATOM 1588 CG ASP B 221 93.072 -9.088 -6.722 1.00 0.00 C ATOM 1589 OD1 ASP B 221 92.188 -8.265 -6.549 1.00 0.00 O ATOM 1590 OD2 ASP B 221 93.996 -8.941 -7.503 1.00 0.00 O ATOM 0 H ASP B 221 94.983 -9.992 -4.508 1.00 0.00 H new ATOM 0 HA ASP B 221 92.298 -9.152 -4.292 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.914 -10.967 -6.095 1.00 0.00 H new ATOM 0 HB3 ASP B 221 92.168 -10.981 -6.241 1.00 0.00 H new ATOM 1595 N SER B 222 92.944 -12.234 -3.318 1.00 0.00 N ATOM 1596 CA SER B 222 92.392 -13.396 -2.610 1.00 0.00 C ATOM 1597 C SER B 222 92.160 -13.084 -1.126 1.00 0.00 C ATOM 1598 O SER B 222 91.093 -13.370 -0.578 1.00 0.00 O ATOM 1599 CB SER B 222 93.346 -14.582 -2.738 1.00 0.00 C ATOM 1600 OG SER B 222 92.638 -15.785 -2.467 1.00 0.00 O ATOM 0 H SER B 222 93.950 -12.281 -3.481 1.00 0.00 H new ATOM 0 HA SER B 222 91.432 -13.643 -3.064 1.00 0.00 H new ATOM 0 HB2 SER B 222 93.771 -14.615 -3.741 1.00 0.00 H new ATOM 0 HB3 SER B 222 94.178 -14.471 -2.042 1.00 0.00 H new ATOM 0 HG SER B 222 93.247 -16.549 -2.550 1.00 0.00 H new ATOM 1606 N CYS B 223 93.181 -12.502 -0.491 1.00 0.00 N ATOM 1607 CA CYS B 223 93.127 -12.147 0.930 1.00 0.00 C ATOM 1608 C CYS B 223 91.973 -11.190 1.202 1.00 0.00 C ATOM 1609 O CYS B 223 91.240 -11.344 2.185 1.00 0.00 O ATOM 1610 CB CYS B 223 94.459 -11.493 1.334 1.00 0.00 C ATOM 1611 SG CYS B 223 94.861 -11.900 3.058 1.00 0.00 S ATOM 0 H CYS B 223 94.063 -12.265 -0.944 1.00 0.00 H new ATOM 0 HA CYS B 223 92.965 -13.050 1.518 1.00 0.00 H new ATOM 0 HB2 CYS B 223 95.256 -11.838 0.676 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.393 -10.412 1.214 1.00 0.00 H new ATOM 1616 N LEU B 224 91.818 -10.207 0.318 1.00 0.00 N ATOM 1617 CA LEU B 224 90.753 -9.218 0.444 1.00 0.00 C ATOM 1618 C LEU B 224 89.384 -9.873 0.281 1.00 0.00 C ATOM 1619 O LEU B 224 88.436 -9.531 0.992 1.00 0.00 O ATOM 1620 CB LEU B 224 90.944 -8.117 -0.603 1.00 0.00 C ATOM 1621 CG LEU B 224 92.183 -7.279 -0.245 1.00 0.00 C ATOM 1622 CD1 LEU B 224 92.604 -6.450 -1.457 1.00 0.00 C ATOM 1623 CD2 LEU B 224 91.857 -6.332 0.919 1.00 0.00 C ATOM 0 H LEU B 224 92.419 -10.075 -0.495 1.00 0.00 H new ATOM 0 HA LEU B 224 90.801 -8.777 1.440 1.00 0.00 H new ATOM 0 HB2 LEU B 224 91.064 -8.558 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU B 224 90.060 -7.480 -0.642 1.00 0.00 H new ATOM 0 HG LEU B 224 92.992 -7.949 0.047 1.00 0.00 H new ATOM 0 HD11 LEU B 224 93.482 -5.856 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU B 224 92.842 -7.115 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU B 224 91.788 -5.787 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU B 224 92.740 -5.742 1.166 1.00 0.00 H new ATOM 0 HD22 LEU B 224 91.045 -5.665 0.629 1.00 0.00 H new ATOM 0 HD23 LEU B 224 91.555 -6.915 1.789 1.00 0.00 H new ATOM 1635 N SER B 225 89.291 -10.818 -0.661 1.00 0.00 N ATOM 1636 CA SER B 225 88.035 -11.523 -0.918 1.00 0.00 C ATOM 1637 C SER B 225 87.527 -12.203 0.351 1.00 0.00 C ATOM 1638 O SER B 225 86.315 -12.264 0.581 1.00 0.00 O ATOM 1639 CB SER B 225 88.234 -12.576 -2.013 1.00 0.00 C ATOM 1640 OG SER B 225 88.449 -11.926 -3.260 1.00 0.00 O ATOM 0 H SER B 225 90.068 -11.110 -1.254 1.00 0.00 H new ATOM 0 HA SER B 225 87.297 -10.791 -1.247 1.00 0.00 H new ATOM 0 HB2 SER B 225 89.085 -13.212 -1.771 1.00 0.00 H new ATOM 0 HB3 SER B 225 87.359 -13.223 -2.074 1.00 0.00 H new ATOM 0 HG SER B 225 89.404 -11.736 -3.369 1.00 0.00 H new ATOM 1646 N ARG B 226 88.457 -12.711 1.167 1.00 0.00 N ATOM 1647 CA ARG B 226 88.091 -13.393 2.409 1.00 0.00 C ATOM 1648 C ARG B 226 87.254 -12.458 3.281 1.00 0.00 C ATOM 1649 O ARG B 226 86.218 -12.855 3.814 1.00 0.00 O ATOM 1650 CB ARG B 226 89.363 -13.801 3.167 1.00 0.00 C ATOM 1651 CG ARG B 226 88.990 -14.622 4.405 1.00 0.00 C ATOM 1652 CD ARG B 226 90.253 -15.014 5.171 1.00 0.00 C ATOM 1653 NE ARG B 226 89.912 -15.960 6.237 1.00 0.00 N ATOM 1654 CZ ARG B 226 90.828 -16.471 7.079 1.00 0.00 C ATOM 1655 NH1 ARG B 226 92.098 -16.149 6.994 1.00 0.00 N ATOM 1656 NH2 ARG B 226 90.445 -17.307 8.004 1.00 0.00 N ATOM 0 H ARG B 226 89.460 -12.663 0.990 1.00 0.00 H new ATOM 0 HA ARG B 226 87.509 -14.284 2.173 1.00 0.00 H new ATOM 0 HB2 ARG B 226 90.014 -14.384 2.516 1.00 0.00 H new ATOM 0 HB3 ARG B 226 89.921 -12.913 3.463 1.00 0.00 H new ATOM 0 HG2 ARG B 226 88.328 -14.043 5.050 1.00 0.00 H new ATOM 0 HG3 ARG B 226 88.443 -15.516 4.107 1.00 0.00 H new ATOM 0 HD2 ARG B 226 90.977 -15.463 4.491 1.00 0.00 H new ATOM 0 HD3 ARG B 226 90.722 -14.127 5.596 1.00 0.00 H new ATOM 0 HE ARG B 226 88.938 -16.243 6.345 1.00 0.00 H new ATOM 0 HH11 ARG B 226 92.412 -15.496 6.276 1.00 0.00 H new ATOM 0 HH12 ARG B 226 92.771 -16.552 7.646 1.00 0.00 H new ATOM 0 HH21 ARG B 226 89.461 -17.566 8.082 1.00 0.00 H new ATOM 0 HH22 ARG B 226 91.129 -17.702 8.649 1.00 0.00 H new ATOM 1670 N GLU B 227 87.721 -11.220 3.404 1.00 0.00 N ATOM 1671 CA GLU B 227 87.023 -10.216 4.200 1.00 0.00 C ATOM 1672 C GLU B 227 85.651 -9.914 3.605 1.00 0.00 C ATOM 1673 O GLU B 227 84.693 -9.661 4.338 1.00 0.00 O ATOM 1674 CB GLU B 227 87.851 -8.938 4.267 1.00 0.00 C ATOM 1675 CG GLU B 227 89.097 -9.182 5.127 1.00 0.00 C ATOM 1676 CD GLU B 227 89.986 -7.930 5.195 1.00 0.00 C ATOM 1677 OE1 GLU B 227 89.694 -6.955 4.514 1.00 0.00 O ATOM 1678 OE2 GLU B 227 90.944 -7.962 5.948 1.00 0.00 O ATOM 0 H GLU B 227 88.579 -10.888 2.963 1.00 0.00 H new ATOM 0 HA GLU B 227 86.885 -10.609 5.207 1.00 0.00 H new ATOM 0 HB2 GLU B 227 88.143 -8.628 3.264 1.00 0.00 H new ATOM 0 HB3 GLU B 227 87.257 -8.128 4.690 1.00 0.00 H new ATOM 0 HG2 GLU B 227 88.795 -9.471 6.134 1.00 0.00 H new ATOM 0 HG3 GLU B 227 89.668 -10.014 4.715 1.00 0.00 H new ATOM 1685 N GLU B 228 85.566 -9.950 2.275 1.00 0.00 N ATOM 1686 CA GLU B 228 84.306 -9.688 1.583 1.00 0.00 C ATOM 1687 C GLU B 228 83.276 -10.790 1.874 1.00 0.00 C ATOM 1688 O GLU B 228 82.070 -10.545 1.797 1.00 0.00 O ATOM 1689 CB GLU B 228 84.546 -9.609 0.077 1.00 0.00 C ATOM 1690 CG GLU B 228 85.379 -8.365 -0.267 1.00 0.00 C ATOM 1691 CD GLU B 228 85.754 -8.365 -1.761 1.00 0.00 C ATOM 1692 OE1 GLU B 228 86.539 -7.518 -2.145 1.00 0.00 O ATOM 1693 OE2 GLU B 228 85.248 -9.204 -2.504 1.00 0.00 O ATOM 0 H GLU B 228 86.352 -10.157 1.658 1.00 0.00 H new ATOM 0 HA GLU B 228 83.914 -8.738 1.946 1.00 0.00 H new ATOM 0 HB2 GLU B 228 85.063 -10.506 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU B 228 83.592 -9.572 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU B 228 84.814 -7.464 -0.027 1.00 0.00 H new ATOM 0 HG3 GLU B 228 86.283 -8.346 0.341 1.00 0.00 H new ATOM 1700 N LYS B 229 83.762 -11.994 2.214 1.00 0.00 N ATOM 1701 CA LYS B 229 82.879 -13.116 2.529 1.00 0.00 C ATOM 1702 C LYS B 229 82.173 -12.894 3.863 1.00 0.00 C ATOM 1703 O LYS B 229 80.966 -13.121 3.981 1.00 0.00 O ATOM 1704 CB LYS B 229 83.681 -14.416 2.580 1.00 0.00 C ATOM 1705 CG LYS B 229 84.168 -14.768 1.172 1.00 0.00 C ATOM 1706 CD LYS B 229 84.979 -16.062 1.220 1.00 0.00 C ATOM 1707 CE LYS B 229 85.383 -16.458 -0.200 1.00 0.00 C ATOM 1708 NZ LYS B 229 86.327 -15.442 -0.747 1.00 0.00 N ATOM 0 H LYS B 229 84.757 -12.210 2.276 1.00 0.00 H new ATOM 0 HA LYS B 229 82.125 -13.187 1.745 1.00 0.00 H new ATOM 0 HB2 LYS B 229 84.531 -14.306 3.254 1.00 0.00 H new ATOM 0 HB3 LYS B 229 83.063 -15.222 2.975 1.00 0.00 H new ATOM 0 HG2 LYS B 229 83.317 -14.884 0.500 1.00 0.00 H new ATOM 0 HG3 LYS B 229 84.779 -13.958 0.774 1.00 0.00 H new ATOM 0 HD2 LYS B 229 85.866 -15.926 1.838 1.00 0.00 H new ATOM 0 HD3 LYS B 229 84.390 -16.857 1.678 1.00 0.00 H new ATOM 0 HE2 LYS B 229 85.852 -17.442 -0.196 1.00 0.00 H new ATOM 0 HE3 LYS B 229 84.500 -16.529 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 86.822 -15.837 -1.572 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 85.797 -14.595 -1.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 87.022 -15.185 -0.017 1.00 0.00 H new ATOM 1722 N LYS B 230 82.939 -12.460 4.870 1.00 0.00 N ATOM 1723 CA LYS B 230 82.384 -12.216 6.206 1.00 0.00 C ATOM 1724 C LYS B 230 82.041 -10.735 6.402 1.00 0.00 C ATOM 1725 O LYS B 230 82.014 -10.237 7.533 1.00 0.00 O ATOM 1726 CB LYS B 230 83.383 -12.653 7.278 1.00 0.00 C ATOM 1727 CG LYS B 230 83.580 -14.168 7.210 1.00 0.00 C ATOM 1728 CD LYS B 230 84.579 -14.602 8.283 1.00 0.00 C ATOM 1729 CE LYS B 230 84.771 -16.118 8.214 1.00 0.00 C ATOM 1730 NZ LYS B 230 85.731 -16.545 9.271 1.00 0.00 N ATOM 0 H LYS B 230 83.938 -12.272 4.787 1.00 0.00 H new ATOM 0 HA LYS B 230 81.468 -12.799 6.299 1.00 0.00 H new ATOM 0 HB2 LYS B 230 84.336 -12.145 7.130 1.00 0.00 H new ATOM 0 HB3 LYS B 230 83.020 -12.367 8.265 1.00 0.00 H new ATOM 0 HG2 LYS B 230 82.627 -14.676 7.359 1.00 0.00 H new ATOM 0 HG3 LYS B 230 83.943 -14.454 6.223 1.00 0.00 H new ATOM 0 HD2 LYS B 230 85.533 -14.096 8.133 1.00 0.00 H new ATOM 0 HD3 LYS B 230 84.217 -14.315 9.270 1.00 0.00 H new ATOM 0 HE2 LYS B 230 83.815 -16.623 8.350 1.00 0.00 H new ATOM 0 HE3 LYS B 230 85.145 -16.404 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 85.862 -17.576 9.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 86.645 -16.073 9.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 85.356 -16.285 10.206 1.00 0.00 H new ATOM 1744 N GLU B 231 81.775 -10.035 5.298 1.00 0.00 N ATOM 1745 CA GLU B 231 81.433 -8.615 5.346 1.00 0.00 C ATOM 1746 C GLU B 231 80.334 -8.365 6.376 1.00 0.00 C ATOM 1747 O GLU B 231 79.648 -9.296 6.793 1.00 0.00 O ATOM 1748 CB GLU B 231 80.970 -8.155 3.959 1.00 0.00 C ATOM 1749 CG GLU B 231 80.890 -6.626 3.915 1.00 0.00 C ATOM 1750 CD GLU B 231 80.702 -6.136 2.474 1.00 0.00 C ATOM 1751 OE1 GLU B 231 80.996 -4.978 2.231 1.00 0.00 O ATOM 1752 OE2 GLU B 231 80.244 -6.908 1.640 1.00 0.00 O ATOM 0 H GLU B 231 81.790 -10.431 4.358 1.00 0.00 H new ATOM 0 HA GLU B 231 82.315 -8.046 5.641 1.00 0.00 H new ATOM 0 HB2 GLU B 231 81.663 -8.513 3.198 1.00 0.00 H new ATOM 0 HB3 GLU B 231 79.995 -8.585 3.731 1.00 0.00 H new ATOM 0 HG2 GLU B 231 80.060 -6.282 4.533 1.00 0.00 H new ATOM 0 HG3 GLU B 231 81.800 -6.197 4.335 1.00 0.00 H new ATOM 1759 N SER B 232 80.177 -7.103 6.763 1.00 0.00 N ATOM 1760 CA SER B 232 79.161 -6.707 7.734 1.00 0.00 C ATOM 1761 C SER B 232 79.336 -7.505 9.025 1.00 0.00 C ATOM 1762 O SER B 232 80.366 -8.145 9.235 1.00 0.00 O ATOM 1763 CB SER B 232 77.757 -6.941 7.149 1.00 0.00 C ATOM 1764 OG SER B 232 77.419 -8.317 7.269 1.00 0.00 O ATOM 0 H SER B 232 80.746 -6.331 6.416 1.00 0.00 H new ATOM 0 HA SER B 232 79.275 -5.647 7.958 1.00 0.00 H new ATOM 0 HB2 SER B 232 77.025 -6.328 7.675 1.00 0.00 H new ATOM 0 HB3 SER B 232 77.732 -6.639 6.102 1.00 0.00 H new ATOM 0 HG SER B 232 77.973 -8.845 6.656 1.00 0.00 H new ATOM 1770 N LEU B 233 78.319 -7.458 9.877 1.00 0.00 N ATOM 1771 CA LEU B 233 78.334 -8.178 11.144 1.00 0.00 C ATOM 1772 C LEU B 233 77.001 -8.887 11.374 1.00 0.00 C ATOM 1773 O LEU B 233 76.967 -9.989 11.929 1.00 0.00 O ATOM 1774 CB LEU B 233 78.596 -7.198 12.291 1.00 0.00 C ATOM 1775 CG LEU B 233 80.037 -6.670 12.212 1.00 0.00 C ATOM 1776 CD1 LEU B 233 80.192 -5.467 13.147 1.00 0.00 C ATOM 1777 CD2 LEU B 233 81.023 -7.768 12.640 1.00 0.00 C ATOM 0 H LEU B 233 77.466 -6.924 9.711 1.00 0.00 H new ATOM 0 HA LEU B 233 79.128 -8.925 11.110 1.00 0.00 H new ATOM 0 HB2 LEU B 233 77.892 -6.367 12.239 1.00 0.00 H new ATOM 0 HB3 LEU B 233 78.433 -7.694 13.248 1.00 0.00 H new ATOM 0 HG LEU B 233 80.250 -6.372 11.185 1.00 0.00 H new ATOM 0 HD11 LEU B 233 81.214 -5.092 13.091 1.00 0.00 H new ATOM 0 HD12 LEU B 233 79.500 -4.680 12.846 1.00 0.00 H new ATOM 0 HD13 LEU B 233 79.972 -5.771 14.170 1.00 0.00 H new ATOM 0 HD21 LEU B 233 82.042 -7.385 12.581 1.00 0.00 H new ATOM 0 HD22 LEU B 233 80.808 -8.071 13.665 1.00 0.00 H new ATOM 0 HD23 LEU B 233 80.920 -8.628 11.978 1.00 0.00 H new ATOM 1789 N ARG B 234 75.914 -8.235 10.953 1.00 0.00 N ATOM 1790 CA ARG B 234 74.578 -8.792 11.118 1.00 0.00 C ATOM 1791 C ARG B 234 74.378 -9.999 10.210 1.00 0.00 C ATOM 1792 O ARG B 234 73.829 -11.021 10.636 1.00 0.00 O ATOM 1793 CB ARG B 234 73.527 -7.729 10.793 1.00 0.00 C ATOM 1794 CG ARG B 234 73.524 -6.661 11.889 1.00 0.00 C ATOM 1795 CD ARG B 234 72.522 -5.561 11.532 1.00 0.00 C ATOM 1796 NE ARG B 234 72.490 -4.543 12.589 1.00 0.00 N ATOM 1797 CZ ARG B 234 73.360 -3.514 12.638 1.00 0.00 C ATOM 1798 NH1 ARG B 234 74.303 -3.366 11.736 1.00 0.00 N ATOM 1799 NH2 ARG B 234 73.264 -2.647 13.607 1.00 0.00 N ATOM 0 H ARG B 234 75.937 -7.323 10.497 1.00 0.00 H new ATOM 0 HA ARG B 234 74.467 -9.112 12.154 1.00 0.00 H new ATOM 0 HB2 ARG B 234 73.743 -7.273 9.827 1.00 0.00 H new ATOM 0 HB3 ARG B 234 72.542 -8.189 10.716 1.00 0.00 H new ATOM 0 HG2 ARG B 234 73.261 -7.110 12.847 1.00 0.00 H new ATOM 0 HG3 ARG B 234 74.522 -6.236 11.999 1.00 0.00 H new ATOM 0 HD2 ARG B 234 72.798 -5.102 10.583 1.00 0.00 H new ATOM 0 HD3 ARG B 234 71.529 -5.992 11.401 1.00 0.00 H new ATOM 0 HE ARG B 234 71.780 -4.617 13.317 1.00 0.00 H new ATOM 0 HH11 ARG B 234 74.390 -4.039 10.974 1.00 0.00 H new ATOM 0 HH12 ARG B 234 74.948 -2.578 11.797 1.00 0.00 H new ATOM 0 HH21 ARG B 234 72.538 -2.752 14.315 1.00 0.00 H new ATOM 0 HH22 ARG B 234 73.915 -1.864 13.657 1.00 0.00 H new ATOM 1813 N SER B 235 74.834 -9.871 8.964 1.00 0.00 N ATOM 1814 CA SER B 235 74.713 -10.950 7.993 1.00 0.00 C ATOM 1815 C SER B 235 75.528 -12.157 8.440 1.00 0.00 C ATOM 1816 O SER B 235 75.060 -13.296 8.361 1.00 0.00 O ATOM 1817 CB SER B 235 75.201 -10.480 6.623 1.00 0.00 C ATOM 1818 OG SER B 235 75.027 -11.525 5.677 1.00 0.00 O ATOM 0 H SER B 235 75.289 -9.031 8.607 1.00 0.00 H new ATOM 0 HA SER B 235 73.664 -11.237 7.922 1.00 0.00 H new ATOM 0 HB2 SER B 235 74.646 -9.595 6.311 1.00 0.00 H new ATOM 0 HB3 SER B 235 76.252 -10.194 6.677 1.00 0.00 H new ATOM 0 HG SER B 235 75.338 -11.225 4.797 1.00 0.00 H new ATOM 1824 N SER B 236 76.747 -11.892 8.914 1.00 0.00 N ATOM 1825 CA SER B 236 77.629 -12.957 9.376 1.00 0.00 C ATOM 1826 C SER B 236 76.992 -13.701 10.546 1.00 0.00 C ATOM 1827 O SER B 236 76.402 -13.081 11.434 1.00 0.00 O ATOM 1828 CB SER B 236 78.974 -12.372 9.810 1.00 0.00 C ATOM 1829 OG SER B 236 79.771 -13.401 10.380 1.00 0.00 O ATOM 0 H SER B 236 77.141 -10.954 8.986 1.00 0.00 H new ATOM 0 HA SER B 236 77.789 -13.656 8.555 1.00 0.00 H new ATOM 0 HB2 SER B 236 79.485 -11.932 8.954 1.00 0.00 H new ATOM 0 HB3 SER B 236 78.819 -11.572 10.534 1.00 0.00 H new ATOM 0 HG SER B 236 80.635 -13.030 10.658 1.00 0.00 H new ATOM 1835 N VAL B 237 77.120 -15.028 10.530 1.00 0.00 N ATOM 1836 CA VAL B 237 76.561 -15.868 11.586 1.00 0.00 C ATOM 1837 C VAL B 237 77.550 -16.973 11.956 1.00 0.00 C ATOM 1838 O VAL B 237 78.329 -17.424 11.113 1.00 0.00 O ATOM 1839 CB VAL B 237 75.217 -16.476 11.125 1.00 0.00 C ATOM 1840 CG1 VAL B 237 75.437 -17.401 9.920 1.00 0.00 C ATOM 1841 CG2 VAL B 237 74.585 -17.282 12.270 1.00 0.00 C ATOM 0 H VAL B 237 77.606 -15.543 9.796 1.00 0.00 H new ATOM 0 HA VAL B 237 76.380 -15.255 12.469 1.00 0.00 H new ATOM 0 HB VAL B 237 74.550 -15.663 10.838 1.00 0.00 H new ATOM 0 HG11 VAL B 237 74.482 -17.822 9.606 1.00 0.00 H new ATOM 0 HG12 VAL B 237 75.870 -16.831 9.098 1.00 0.00 H new ATOM 0 HG13 VAL B 237 76.115 -18.207 10.199 1.00 0.00 H new ATOM 0 HG21 VAL B 237 73.638 -17.707 11.936 1.00 0.00 H new ATOM 0 HG22 VAL B 237 75.260 -18.086 12.565 1.00 0.00 H new ATOM 0 HG23 VAL B 237 74.408 -16.626 13.122 1.00 0.00 H new ATOM 1851 N HIS B 238 77.488 -17.408 13.212 1.00 0.00 N ATOM 1852 CA HIS B 238 78.361 -18.472 13.700 1.00 0.00 C ATOM 1853 C HIS B 238 77.546 -19.722 14.028 1.00 0.00 C ATOM 1854 O HIS B 238 76.388 -19.624 14.439 1.00 0.00 O ATOM 1855 CB HIS B 238 79.111 -18.002 14.946 1.00 0.00 C ATOM 1856 CG HIS B 238 80.061 -16.895 14.575 1.00 0.00 C ATOM 1857 ND1 HIS B 238 81.208 -17.121 13.833 1.00 0.00 N ATOM 1858 CD2 HIS B 238 80.044 -15.544 14.832 1.00 0.00 C ATOM 1859 CE1 HIS B 238 81.830 -15.940 13.670 1.00 0.00 C ATOM 1860 NE2 HIS B 238 81.162 -14.945 14.259 1.00 0.00 N ATOM 0 H HIS B 238 76.842 -17.040 13.910 1.00 0.00 H new ATOM 0 HA HIS B 238 79.080 -18.717 12.919 1.00 0.00 H new ATOM 0 HB2 HIS B 238 78.404 -17.652 15.698 1.00 0.00 H new ATOM 0 HB3 HIS B 238 79.660 -18.834 15.388 1.00 0.00 H new ATOM 0 HD2 HIS B 238 79.280 -15.027 15.393 1.00 0.00 H new ATOM 0 HE1 HIS B 238 82.756 -15.812 13.129 1.00 0.00 H new ATOM 0 HE2 HIS B 238 81.417 -13.958 14.284 1.00 0.00 H new ATOM 1868 N LYS B 239 78.162 -20.891 13.836 1.00 0.00 N ATOM 1869 CA LYS B 239 77.495 -22.165 14.106 1.00 0.00 C ATOM 1870 C LYS B 239 78.316 -23.005 15.080 1.00 0.00 C ATOM 1871 O LYS B 239 79.547 -22.970 15.059 1.00 0.00 O ATOM 1872 CB LYS B 239 77.299 -22.942 12.801 1.00 0.00 C ATOM 1873 CG LYS B 239 76.294 -22.206 11.914 1.00 0.00 C ATOM 1874 CD LYS B 239 76.083 -22.990 10.617 1.00 0.00 C ATOM 1875 CE LYS B 239 75.049 -22.270 9.748 1.00 0.00 C ATOM 1876 NZ LYS B 239 75.597 -20.955 9.313 1.00 0.00 N ATOM 0 H LYS B 239 79.119 -20.981 13.495 1.00 0.00 H new ATOM 0 HA LYS B 239 76.523 -21.955 14.553 1.00 0.00 H new ATOM 0 HB2 LYS B 239 78.251 -23.046 12.281 1.00 0.00 H new ATOM 0 HB3 LYS B 239 76.941 -23.949 13.015 1.00 0.00 H new ATOM 0 HG2 LYS B 239 75.346 -22.091 12.439 1.00 0.00 H new ATOM 0 HG3 LYS B 239 76.658 -21.203 11.690 1.00 0.00 H new ATOM 0 HD2 LYS B 239 77.026 -23.082 10.078 1.00 0.00 H new ATOM 0 HD3 LYS B 239 75.744 -24.001 10.842 1.00 0.00 H new ATOM 0 HE2 LYS B 239 74.802 -22.879 8.878 1.00 0.00 H new ATOM 0 HE3 LYS B 239 74.125 -22.124 10.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 75.196 -20.700 8.388 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 75.347 -20.226 10.012 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 76.632 -21.019 9.235 1.00 0.00 H new ATOM 1890 N ARG B 240 77.617 -23.761 15.929 1.00 0.00 N ATOM 1891 CA ARG B 240 78.273 -24.621 16.914 1.00 0.00 C ATOM 1892 C ARG B 240 78.059 -26.096 16.569 1.00 0.00 C ATOM 1893 O ARG B 240 78.709 -26.929 17.181 1.00 0.00 O ATOM 1894 CB ARG B 240 77.723 -24.315 18.319 1.00 0.00 C ATOM 1895 CG ARG B 240 76.213 -24.583 18.371 1.00 0.00 C ATOM 1896 CD ARG B 240 75.702 -24.318 19.785 1.00 0.00 C ATOM 1897 NE ARG B 240 74.261 -24.584 19.859 1.00 0.00 N ATOM 1898 CZ ARG B 240 73.333 -23.658 19.550 1.00 0.00 C ATOM 1899 NH1 ARG B 240 73.671 -22.450 19.160 1.00 0.00 N ATOM 1900 NH2 ARG B 240 72.069 -23.969 19.639 1.00 0.00 N ATOM 1901 OXT ARG B 240 77.240 -26.371 15.707 1.00 0.00 O ATOM 0 H ARG B 240 76.598 -23.795 15.954 1.00 0.00 H new ATOM 0 HA ARG B 240 79.344 -24.420 16.898 1.00 0.00 H new ATOM 0 HB2 ARG B 240 78.234 -24.931 19.059 1.00 0.00 H new ATOM 0 HB3 ARG B 240 77.924 -23.275 18.577 1.00 0.00 H new ATOM 0 HG2 ARG B 240 75.694 -23.942 17.658 1.00 0.00 H new ATOM 0 HG3 ARG B 240 76.005 -25.614 18.084 1.00 0.00 H new ATOM 0 HD2 ARG B 240 76.233 -24.950 20.496 1.00 0.00 H new ATOM 0 HD3 ARG B 240 75.904 -23.284 20.065 1.00 0.00 H new ATOM 0 HE ARG B 240 73.949 -25.508 20.157 1.00 0.00 H new ATOM 0 HH11 ARG B 240 74.656 -22.195 19.085 1.00 0.00 H new ATOM 0 HH12 ARG B 240 72.949 -21.767 18.932 1.00 0.00 H new ATOM 0 HH21 ARG B 240 71.794 -24.904 19.940 1.00 0.00 H new ATOM 0 HH22 ARG B 240 71.356 -23.277 19.408 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 97.172 -12.194 3.037 1.00 0.00 ZN