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 180:sc= -0.0114 USER MOD Set 1.2: B 215 HIS : no HD1:sc= -0.296 K(o=-0.31,f=-2.5!) USER MOD Set 2.1: A 55 THR OG1 : rot -56:sc= -0.048 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot 131:sc= 1.24 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 1 MET CE :methyl -169:sc=-0.00136 (180deg=-0.307) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.11 (180deg=0.455) USER MOD Single : A 2 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.0183 (180deg=-0.196) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -95:sc= 0.841 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 25 ASN : amide:sc= -0.0309 K(o=-0.031,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 0.262 (180deg=-0.0967) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= -1.9! (180deg=-2!) USER MOD Single : A 31 GLN : amide:sc= -1.88 X(o=-1.9,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0976) USER MOD Single : A 40 GLN : amide:sc= -0.764 X(o=-0.76,f=-1) USER MOD Single : A 41 GLN : amide:sc= -2.79 K(o=-2.8,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ -135:sc= -0.116 (180deg=-1.2) USER MOD Single : A 49 GLN : amide:sc= -0.865 X(o=-0.86,f=-1.3) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.315 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 62 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.42) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 158:sc=0.000409 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.724 K(o=-0.72,f=-0.15) USER MOD Single : B 198 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 200 THR OG1 : rot 165:sc= 0.351 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= -0.303 K(o=-0.3,f=-3.4!) USER MOD Single : B 217 ASN : amide:sc= -2.04 K(o=-2,f=-6.4!) USER MOD Single : B 218 LYS NZ :NH3+ 160:sc= -0.031 (180deg=-0.434) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 SER OG : rot 60:sc= 1.15 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 232 SER OG : rot 180:sc= 0 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=-0.12) USER MOD Single : B 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 95.979 15.631 10.128 1.00 0.00 N ATOM 2 CA MET A 1 96.696 14.924 11.231 1.00 0.00 C ATOM 3 C MET A 1 97.952 14.261 10.679 1.00 0.00 C ATOM 4 O MET A 1 97.982 13.846 9.514 1.00 0.00 O ATOM 5 CB MET A 1 95.786 13.858 11.873 1.00 0.00 C ATOM 6 CG MET A 1 95.262 12.889 10.808 1.00 0.00 C ATOM 7 SD MET A 1 94.095 11.731 11.555 1.00 0.00 S ATOM 8 CE MET A 1 93.732 10.794 10.050 1.00 0.00 C ATOM 0 H1 MET A 1 94.953 15.564 10.282 1.00 0.00 H new ATOM 0 H2 MET A 1 96.263 16.631 10.115 1.00 0.00 H new ATOM 0 H3 MET A 1 96.221 15.190 9.218 1.00 0.00 H new ATOM 0 HA MET A 1 96.970 15.652 11.994 1.00 0.00 H new ATOM 0 HB2 MET A 1 96.341 13.307 12.633 1.00 0.00 H new ATOM 0 HB3 MET A 1 94.949 14.341 12.377 1.00 0.00 H new ATOM 0 HG2 MET A 1 94.775 13.444 10.006 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.092 12.344 10.359 1.00 0.00 H new ATOM 0 HE1 MET A 1 92.879 10.139 10.226 1.00 0.00 H new ATOM 0 HE2 MET A 1 93.498 11.484 9.239 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.600 10.194 9.777 1.00 0.00 H new ATOM 20 N GLN A 2 98.972 14.162 11.530 1.00 0.00 N ATOM 21 CA GLN A 2 100.224 13.530 11.132 1.00 0.00 C ATOM 22 C GLN A 2 100.104 12.022 11.284 1.00 0.00 C ATOM 23 O GLN A 2 99.806 11.516 12.371 1.00 0.00 O ATOM 24 CB GLN A 2 101.388 14.048 11.981 1.00 0.00 C ATOM 25 CG GLN A 2 102.716 13.508 11.436 1.00 0.00 C ATOM 26 CD GLN A 2 103.870 14.010 12.296 1.00 0.00 C ATOM 27 OE1 GLN A 2 104.055 15.217 12.446 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.652 13.148 12.885 1.00 0.00 N ATOM 0 H GLN A 2 98.955 14.508 12.489 1.00 0.00 H new ATOM 0 HA GLN A 2 100.423 13.777 10.089 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.398 15.138 11.972 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.258 13.739 13.018 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.701 12.418 11.431 1.00 0.00 H new ATOM 0 HG3 GLN A 2 102.853 13.829 10.404 1.00 0.00 H new ATOM 0 HE21 GLN A 2 104.496 12.148 12.758 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.420 13.474 13.472 1.00 0.00 H new ATOM 37 N ILE A 3 100.343 11.322 10.187 1.00 0.00 N ATOM 38 CA ILE A 3 100.277 9.868 10.170 1.00 0.00 C ATOM 39 C ILE A 3 101.583 9.317 9.635 1.00 0.00 C ATOM 40 O ILE A 3 102.324 10.025 8.954 1.00 0.00 O ATOM 41 CB ILE A 3 99.094 9.390 9.308 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.228 9.933 7.872 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.783 9.883 9.939 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.226 9.230 6.946 1.00 0.00 C ATOM 0 H ILE A 3 100.586 11.741 9.289 1.00 0.00 H new ATOM 0 HA ILE A 3 100.120 9.502 11.185 1.00 0.00 H new ATOM 0 HB ILE A 3 99.092 8.301 9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.050 11.008 7.864 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.243 9.775 7.509 1.00 0.00 H new ATOM 0 HG21 ILE A 3 96.940 9.549 9.334 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.690 9.479 10.947 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.788 10.972 9.984 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.329 9.621 5.934 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.424 8.158 6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.212 9.411 7.303 1.00 0.00 H new ATOM 56 N PHE A 4 101.861 8.062 9.957 1.00 0.00 N ATOM 57 CA PHE A 4 103.095 7.422 9.510 1.00 0.00 C ATOM 58 C PHE A 4 102.763 6.308 8.530 1.00 0.00 C ATOM 59 O PHE A 4 101.785 5.584 8.720 1.00 0.00 O ATOM 60 CB PHE A 4 103.854 6.826 10.707 1.00 0.00 C ATOM 61 CG PHE A 4 104.132 7.903 11.737 1.00 0.00 C ATOM 62 CD1 PHE A 4 105.233 8.752 11.586 1.00 0.00 C ATOM 63 CD2 PHE A 4 103.276 8.052 12.837 1.00 0.00 C ATOM 64 CE1 PHE A 4 105.480 9.749 12.536 1.00 0.00 C ATOM 65 CE2 PHE A 4 103.524 9.048 13.787 1.00 0.00 C ATOM 66 CZ PHE A 4 104.624 9.897 13.638 1.00 0.00 C ATOM 0 H PHE A 4 101.255 7.468 10.522 1.00 0.00 H new ATOM 0 HA PHE A 4 103.721 8.172 9.026 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.268 6.025 11.157 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.792 6.384 10.369 1.00 0.00 H new ATOM 0 HD1 PHE A 4 105.891 8.638 10.738 1.00 0.00 H new ATOM 0 HD2 PHE A 4 102.425 7.397 12.951 1.00 0.00 H new ATOM 0 HE1 PHE A 4 106.330 10.405 12.421 1.00 0.00 H new ATOM 0 HE2 PHE A 4 102.866 9.161 14.636 1.00 0.00 H new ATOM 0 HZ PHE A 4 104.815 10.667 14.371 1.00 0.00 H new ATOM 76 N VAL A 5 103.585 6.171 7.495 1.00 0.00 N ATOM 77 CA VAL A 5 103.382 5.123 6.497 1.00 0.00 C ATOM 78 C VAL A 5 104.630 4.244 6.477 1.00 0.00 C ATOM 79 O VAL A 5 105.755 4.751 6.474 1.00 0.00 O ATOM 80 CB VAL A 5 103.097 5.731 5.109 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.863 4.620 4.078 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.848 6.618 5.180 1.00 0.00 C ATOM 0 H VAL A 5 104.394 6.768 7.324 1.00 0.00 H new ATOM 0 HA VAL A 5 102.512 4.519 6.757 1.00 0.00 H new ATOM 0 HB VAL A 5 103.959 6.326 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.663 5.065 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.750 3.990 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 5 102.009 4.015 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.649 7.046 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.993 6.019 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 5 102.012 7.421 5.899 1.00 0.00 H new ATOM 92 N LYS A 6 104.418 2.930 6.478 1.00 0.00 N ATOM 93 CA LYS A 6 105.518 1.976 6.474 1.00 0.00 C ATOM 94 C LYS A 6 105.395 1.016 5.301 1.00 0.00 C ATOM 95 O LYS A 6 104.403 0.293 5.177 1.00 0.00 O ATOM 96 CB LYS A 6 105.519 1.184 7.782 1.00 0.00 C ATOM 97 CG LYS A 6 106.803 0.362 7.881 1.00 0.00 C ATOM 98 CD LYS A 6 106.844 -0.367 9.222 1.00 0.00 C ATOM 99 CE LYS A 6 108.143 -1.164 9.326 1.00 0.00 C ATOM 100 NZ LYS A 6 108.083 -2.334 8.403 1.00 0.00 N ATOM 0 H LYS A 6 103.491 2.504 6.482 1.00 0.00 H new ATOM 0 HA LYS A 6 106.453 2.528 6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.444 1.864 8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.650 0.527 7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.850 -0.357 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.672 1.013 7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.778 0.350 10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.987 -1.034 9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 6 108.993 -0.530 9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 6 108.293 -1.503 10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 108.866 -2.985 8.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 107.177 -2.829 8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 108.164 -2.005 7.420 1.00 0.00 H new ATOM 114 N THR A 7 106.410 1.029 4.445 1.00 0.00 N ATOM 115 CA THR A 7 106.430 0.166 3.270 1.00 0.00 C ATOM 116 C THR A 7 106.885 -1.234 3.658 1.00 0.00 C ATOM 117 O THR A 7 107.450 -1.435 4.738 1.00 0.00 O ATOM 118 CB THR A 7 107.381 0.739 2.207 1.00 0.00 C ATOM 119 OG1 THR A 7 108.702 0.769 2.728 1.00 0.00 O ATOM 120 CG2 THR A 7 106.951 2.160 1.816 1.00 0.00 C ATOM 0 H THR A 7 107.230 1.628 4.543 1.00 0.00 H new ATOM 0 HA THR A 7 105.422 0.116 2.858 1.00 0.00 H new ATOM 0 HB THR A 7 107.346 0.106 1.320 1.00 0.00 H new ATOM 0 HG1 THR A 7 109.318 0.364 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.634 2.552 1.063 1.00 0.00 H new ATOM 0 HG22 THR A 7 105.939 2.136 1.411 1.00 0.00 H new ATOM 0 HG23 THR A 7 106.974 2.802 2.696 1.00 0.00 H new ATOM 128 N LEU A 8 106.627 -2.194 2.776 1.00 0.00 N ATOM 129 CA LEU A 8 107.001 -3.587 3.015 1.00 0.00 C ATOM 130 C LEU A 8 108.521 -3.754 3.084 1.00 0.00 C ATOM 131 O LEU A 8 109.016 -4.721 3.667 1.00 0.00 O ATOM 132 CB LEU A 8 106.449 -4.469 1.890 1.00 0.00 C ATOM 133 CG LEU A 8 104.916 -4.426 1.889 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.394 -5.074 0.609 1.00 0.00 C ATOM 135 CD2 LEU A 8 104.370 -5.187 3.102 1.00 0.00 C ATOM 0 H LEU A 8 106.158 -2.033 1.884 1.00 0.00 H new ATOM 0 HA LEU A 8 106.577 -3.888 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.831 -4.126 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.791 -5.495 2.021 1.00 0.00 H new ATOM 0 HG LEU A 8 104.586 -3.388 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 8 103.304 -5.045 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.775 -4.530 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.730 -6.110 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 8 103.281 -5.151 3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.700 -6.225 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.741 -4.726 4.018 1.00 0.00 H new ATOM 147 N THR A 9 109.249 -2.808 2.487 1.00 0.00 N ATOM 148 CA THR A 9 110.709 -2.849 2.479 1.00 0.00 C ATOM 149 C THR A 9 111.284 -2.465 3.849 1.00 0.00 C ATOM 150 O THR A 9 112.433 -2.791 4.150 1.00 0.00 O ATOM 151 CB THR A 9 111.234 -1.898 1.401 1.00 0.00 C ATOM 152 OG1 THR A 9 110.681 -0.604 1.606 1.00 0.00 O ATOM 153 CG2 THR A 9 110.832 -2.414 0.014 1.00 0.00 C ATOM 0 H THR A 9 108.849 -2.004 2.003 1.00 0.00 H new ATOM 0 HA THR A 9 111.028 -3.868 2.260 1.00 0.00 H new ATOM 0 HB THR A 9 112.321 -1.846 1.462 1.00 0.00 H new ATOM 0 HG1 THR A 9 111.016 0.008 0.918 1.00 0.00 H new ATOM 0 HG21 THR A 9 111.208 -1.734 -0.750 1.00 0.00 H new ATOM 0 HG22 THR A 9 111.256 -3.406 -0.142 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.745 -2.470 -0.053 1.00 0.00 H new ATOM 161 N GLY A 10 110.476 -1.787 4.676 1.00 0.00 N ATOM 162 CA GLY A 10 110.913 -1.378 6.014 1.00 0.00 C ATOM 163 C GLY A 10 111.089 0.139 6.134 1.00 0.00 C ATOM 164 O GLY A 10 111.176 0.662 7.250 1.00 0.00 O ATOM 0 H GLY A 10 109.522 -1.512 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 10 110.183 -1.715 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.856 -1.870 6.251 1.00 0.00 H new ATOM 168 N LYS A 11 111.136 0.837 4.995 1.00 0.00 N ATOM 169 CA LYS A 11 111.297 2.290 5.003 1.00 0.00 C ATOM 170 C LYS A 11 110.126 2.938 5.737 1.00 0.00 C ATOM 171 O LYS A 11 109.019 2.395 5.756 1.00 0.00 O ATOM 172 CB LYS A 11 111.377 2.828 3.570 1.00 0.00 C ATOM 173 CG LYS A 11 111.725 4.321 3.598 1.00 0.00 C ATOM 174 CD LYS A 11 111.854 4.839 2.170 1.00 0.00 C ATOM 175 CE LYS A 11 112.216 6.324 2.196 1.00 0.00 C ATOM 176 NZ LYS A 11 112.332 6.829 0.798 1.00 0.00 N ATOM 0 H LYS A 11 111.065 0.422 4.066 1.00 0.00 H new ATOM 0 HA LYS A 11 112.225 2.536 5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 11 112.132 2.279 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 11 110.426 2.676 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.952 4.876 4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.658 4.478 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.620 4.277 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.917 4.692 1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.454 6.886 2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 11 113.156 6.471 2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 112.578 7.839 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 113.074 6.299 0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 111.425 6.701 0.306 1.00 0.00 H new ATOM 190 N THR A 12 110.389 4.100 6.336 1.00 0.00 N ATOM 191 CA THR A 12 109.358 4.827 7.075 1.00 0.00 C ATOM 192 C THR A 12 109.274 6.276 6.599 1.00 0.00 C ATOM 193 O THR A 12 110.283 6.982 6.531 1.00 0.00 O ATOM 194 CB THR A 12 109.663 4.795 8.578 1.00 0.00 C ATOM 195 OG1 THR A 12 109.906 3.455 8.979 1.00 0.00 O ATOM 196 CG2 THR A 12 108.465 5.345 9.358 1.00 0.00 C ATOM 0 H THR A 12 111.302 4.555 6.324 1.00 0.00 H new ATOM 0 HA THR A 12 108.400 4.341 6.891 1.00 0.00 H new ATOM 0 HB THR A 12 110.542 5.407 8.782 1.00 0.00 H new ATOM 0 HG1 THR A 12 110.103 3.431 9.939 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.684 5.321 10.426 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.271 6.372 9.050 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.586 4.733 9.154 1.00 0.00 H new ATOM 204 N ILE A 13 108.054 6.701 6.286 1.00 0.00 N ATOM 205 CA ILE A 13 107.796 8.061 5.827 1.00 0.00 C ATOM 206 C ILE A 13 106.637 8.661 6.618 1.00 0.00 C ATOM 207 O ILE A 13 105.546 8.086 6.666 1.00 0.00 O ATOM 208 CB ILE A 13 107.469 8.053 4.315 1.00 0.00 C ATOM 209 CG1 ILE A 13 107.158 9.488 3.818 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.263 7.136 4.037 1.00 0.00 C ATOM 211 CD1 ILE A 13 107.012 9.511 2.287 1.00 0.00 C ATOM 0 H ILE A 13 107.221 6.116 6.343 1.00 0.00 H new ATOM 0 HA ILE A 13 108.685 8.671 5.989 1.00 0.00 H new ATOM 0 HB ILE A 13 108.339 7.675 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.240 9.848 4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.956 10.165 4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 13 106.042 7.139 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.497 6.121 4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.395 7.499 4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.794 10.527 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.941 9.172 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 13 106.198 8.850 1.989 1.00 0.00 H new ATOM 223 N THR A 14 106.878 9.832 7.203 1.00 0.00 N ATOM 224 CA THR A 14 105.835 10.525 7.955 1.00 0.00 C ATOM 225 C THR A 14 105.086 11.436 7.001 1.00 0.00 C ATOM 226 O THR A 14 105.695 12.240 6.289 1.00 0.00 O ATOM 227 CB THR A 14 106.425 11.343 9.100 1.00 0.00 C ATOM 228 OG1 THR A 14 107.308 10.528 9.859 1.00 0.00 O ATOM 229 CG2 THR A 14 105.294 11.848 10.003 1.00 0.00 C ATOM 0 H THR A 14 107.775 10.316 7.172 1.00 0.00 H new ATOM 0 HA THR A 14 105.160 9.789 8.392 1.00 0.00 H new ATOM 0 HB THR A 14 106.973 12.193 8.694 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.827 10.150 10.625 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.715 12.432 10.821 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.616 12.473 9.422 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.746 10.998 10.409 1.00 0.00 H new ATOM 237 N LEU A 15 103.771 11.267 6.955 1.00 0.00 N ATOM 238 CA LEU A 15 102.935 12.032 6.044 1.00 0.00 C ATOM 239 C LEU A 15 101.862 12.799 6.799 1.00 0.00 C ATOM 240 O LEU A 15 101.215 12.255 7.694 1.00 0.00 O ATOM 241 CB LEU A 15 102.290 11.063 5.058 1.00 0.00 C ATOM 242 CG LEU A 15 101.618 11.823 3.913 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.678 12.413 2.973 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.736 10.847 3.134 1.00 0.00 C ATOM 0 H LEU A 15 103.261 10.605 7.540 1.00 0.00 H new ATOM 0 HA LEU A 15 103.549 12.760 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 15 103.046 10.387 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.553 10.448 5.574 1.00 0.00 H new ATOM 0 HG LEU A 15 101.018 12.638 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 15 102.186 12.951 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.316 13.099 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.285 11.608 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.249 11.373 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.351 10.040 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.979 10.431 3.799 1.00 0.00 H new ATOM 256 N GLU A 16 101.685 14.059 6.423 1.00 0.00 N ATOM 257 CA GLU A 16 100.682 14.913 7.054 1.00 0.00 C ATOM 258 C GLU A 16 99.446 15.007 6.168 1.00 0.00 C ATOM 259 O GLU A 16 99.500 15.574 5.072 1.00 0.00 O ATOM 260 CB GLU A 16 101.257 16.314 7.275 1.00 0.00 C ATOM 261 CG GLU A 16 100.285 17.155 8.116 1.00 0.00 C ATOM 262 CD GLU A 16 100.850 18.554 8.395 1.00 0.00 C ATOM 263 OE1 GLU A 16 100.329 19.193 9.289 1.00 0.00 O ATOM 264 OE2 GLU A 16 101.778 18.973 7.710 1.00 0.00 O ATOM 0 H GLU A 16 102.222 14.514 5.685 1.00 0.00 H new ATOM 0 HA GLU A 16 100.404 14.479 8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 16 102.221 16.245 7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 16 101.434 16.799 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 16 99.333 17.243 7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 16 100.085 16.647 9.060 1.00 0.00 H new ATOM 271 N VAL A 17 98.341 14.450 6.653 1.00 0.00 N ATOM 272 CA VAL A 17 97.087 14.471 5.903 1.00 0.00 C ATOM 273 C VAL A 17 95.907 14.609 6.856 1.00 0.00 C ATOM 274 O VAL A 17 95.935 14.064 7.965 1.00 0.00 O ATOM 275 CB VAL A 17 96.945 13.188 5.058 1.00 0.00 C ATOM 276 CG1 VAL A 17 98.104 13.106 4.051 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.962 11.945 5.969 1.00 0.00 C ATOM 0 H VAL A 17 98.286 13.981 7.557 1.00 0.00 H new ATOM 0 HA VAL A 17 97.097 15.329 5.231 1.00 0.00 H new ATOM 0 HB VAL A 17 95.996 13.219 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 17 98.004 12.200 3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 17 98.079 13.977 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 17 99.052 13.083 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.861 11.046 5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.904 11.908 6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 17 96.133 12.000 6.675 1.00 0.00 H new ATOM 287 N GLU A 18 94.876 15.327 6.417 1.00 0.00 N ATOM 288 CA GLU A 18 93.691 15.519 7.244 1.00 0.00 C ATOM 289 C GLU A 18 92.694 14.371 7.028 1.00 0.00 C ATOM 290 O GLU A 18 92.647 13.805 5.929 1.00 0.00 O ATOM 291 CB GLU A 18 93.012 16.852 6.918 1.00 0.00 C ATOM 292 CG GLU A 18 93.878 18.008 7.422 1.00 0.00 C ATOM 293 CD GLU A 18 93.079 19.306 7.401 1.00 0.00 C ATOM 294 OE1 GLU A 18 92.126 19.403 8.157 1.00 0.00 O ATOM 295 OE2 GLU A 18 93.433 20.184 6.633 1.00 0.00 O ATOM 0 H GLU A 18 94.838 15.780 5.504 1.00 0.00 H new ATOM 0 HA GLU A 18 94.008 15.529 8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.860 16.941 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 18 92.027 16.893 7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 18 94.223 17.800 8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 18 94.766 18.108 6.797 1.00 0.00 H new ATOM 302 N PRO A 19 91.893 14.010 8.031 1.00 0.00 N ATOM 303 CA PRO A 19 90.888 12.904 7.898 1.00 0.00 C ATOM 304 C PRO A 19 89.851 13.200 6.809 1.00 0.00 C ATOM 305 O PRO A 19 89.273 12.284 6.220 1.00 0.00 O ATOM 306 CB PRO A 19 90.225 12.833 9.282 1.00 0.00 C ATOM 307 CG PRO A 19 90.485 14.158 9.910 1.00 0.00 C ATOM 308 CD PRO A 19 91.844 14.600 9.391 1.00 0.00 C ATOM 0 HA PRO A 19 91.354 11.964 7.601 1.00 0.00 H new ATOM 0 HB2 PRO A 19 89.155 12.641 9.196 1.00 0.00 H new ATOM 0 HB3 PRO A 19 90.647 12.025 9.879 1.00 0.00 H new ATOM 0 HG2 PRO A 19 89.711 14.877 9.642 1.00 0.00 H new ATOM 0 HG3 PRO A 19 90.487 14.082 10.997 1.00 0.00 H new ATOM 0 HD2 PRO A 19 91.931 15.686 9.363 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.655 14.232 10.020 1.00 0.00 H new ATOM 316 N SER A 20 89.641 14.492 6.550 1.00 0.00 N ATOM 317 CA SER A 20 88.690 14.936 5.529 1.00 0.00 C ATOM 318 C SER A 20 89.211 14.652 4.115 1.00 0.00 C ATOM 319 O SER A 20 88.431 14.623 3.161 1.00 0.00 O ATOM 320 CB SER A 20 88.424 16.432 5.679 1.00 0.00 C ATOM 321 OG SER A 20 89.649 17.141 5.544 1.00 0.00 O ATOM 0 H SER A 20 90.119 15.252 7.035 1.00 0.00 H new ATOM 0 HA SER A 20 87.765 14.378 5.673 1.00 0.00 H new ATOM 0 HB2 SER A 20 87.712 16.764 4.923 1.00 0.00 H new ATOM 0 HB3 SER A 20 87.976 16.638 6.651 1.00 0.00 H new ATOM 0 HG SER A 20 89.483 18.102 5.638 1.00 0.00 H new ATOM 327 N ASP A 21 90.528 14.444 3.990 1.00 0.00 N ATOM 328 CA ASP A 21 91.140 14.168 2.695 1.00 0.00 C ATOM 329 C ASP A 21 90.736 12.789 2.199 1.00 0.00 C ATOM 330 O ASP A 21 90.604 11.852 2.990 1.00 0.00 O ATOM 331 CB ASP A 21 92.668 14.245 2.801 1.00 0.00 C ATOM 332 CG ASP A 21 93.129 15.691 3.014 1.00 0.00 C ATOM 333 OD1 ASP A 21 92.456 16.598 2.543 1.00 0.00 O ATOM 334 OD2 ASP A 21 94.157 15.871 3.646 1.00 0.00 O ATOM 0 H ASP A 21 91.184 14.463 4.771 1.00 0.00 H new ATOM 0 HA ASP A 21 90.790 14.919 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 21 93.011 13.624 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 21 93.120 13.845 1.894 1.00 0.00 H new ATOM 339 N THR A 22 90.543 12.678 0.886 1.00 0.00 N ATOM 340 CA THR A 22 90.154 11.413 0.281 1.00 0.00 C ATOM 341 C THR A 22 91.378 10.539 0.049 1.00 0.00 C ATOM 342 O THR A 22 92.498 11.044 -0.037 1.00 0.00 O ATOM 343 CB THR A 22 89.446 11.672 -1.051 1.00 0.00 C ATOM 344 OG1 THR A 22 90.167 12.653 -1.783 1.00 0.00 O ATOM 345 CG2 THR A 22 88.022 12.169 -0.793 1.00 0.00 C ATOM 0 H THR A 22 90.650 13.448 0.226 1.00 0.00 H new ATOM 0 HA THR A 22 89.475 10.895 0.958 1.00 0.00 H new ATOM 0 HB THR A 22 89.403 10.746 -1.624 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.717 12.820 -2.637 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.522 12.352 -1.744 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.470 11.415 -0.232 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.058 13.095 -0.218 1.00 0.00 H new ATOM 353 N ILE A 23 91.152 9.229 -0.029 1.00 0.00 N ATOM 354 CA ILE A 23 92.243 8.276 -0.225 1.00 0.00 C ATOM 355 C ILE A 23 92.975 8.585 -1.528 1.00 0.00 C ATOM 356 O ILE A 23 94.208 8.588 -1.562 1.00 0.00 O ATOM 357 CB ILE A 23 91.694 6.829 -0.228 1.00 0.00 C ATOM 358 CG1 ILE A 23 90.869 6.550 1.065 1.00 0.00 C ATOM 359 CG2 ILE A 23 92.851 5.819 -0.353 1.00 0.00 C ATOM 360 CD1 ILE A 23 91.716 6.713 2.347 1.00 0.00 C ATOM 0 H ILE A 23 90.227 8.804 0.040 1.00 0.00 H new ATOM 0 HA ILE A 23 92.952 8.368 0.598 1.00 0.00 H new ATOM 0 HB ILE A 23 91.034 6.714 -1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.019 7.231 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 23 90.466 5.538 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 23 92.451 4.805 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.390 5.997 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 23 93.532 5.939 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 23 91.097 6.508 3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 23 92.552 6.014 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 23 92.098 7.732 2.404 1.00 0.00 H new ATOM 372 N GLU A 24 92.213 8.868 -2.584 1.00 0.00 N ATOM 373 CA GLU A 24 92.807 9.205 -3.879 1.00 0.00 C ATOM 374 C GLU A 24 93.709 10.443 -3.743 1.00 0.00 C ATOM 375 O GLU A 24 94.749 10.545 -4.405 1.00 0.00 O ATOM 376 CB GLU A 24 91.694 9.492 -4.894 1.00 0.00 C ATOM 377 CG GLU A 24 92.300 9.682 -6.295 1.00 0.00 C ATOM 378 CD GLU A 24 91.215 9.947 -7.347 1.00 0.00 C ATOM 379 OE1 GLU A 24 90.086 10.243 -6.976 1.00 0.00 O ATOM 380 OE2 GLU A 24 91.535 9.849 -8.519 1.00 0.00 O ATOM 0 H GLU A 24 91.193 8.871 -2.570 1.00 0.00 H new ATOM 0 HA GLU A 24 93.409 8.364 -4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 24 90.979 8.669 -4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 24 91.145 10.387 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 24 93.003 10.515 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 24 92.866 8.792 -6.571 1.00 0.00 H new ATOM 387 N ASN A 25 93.313 11.355 -2.850 1.00 0.00 N ATOM 388 CA ASN A 25 94.090 12.567 -2.591 1.00 0.00 C ATOM 389 C ASN A 25 95.411 12.216 -1.906 1.00 0.00 C ATOM 390 O ASN A 25 96.459 12.793 -2.213 1.00 0.00 O ATOM 391 CB ASN A 25 93.289 13.537 -1.713 1.00 0.00 C ATOM 392 CG ASN A 25 94.006 14.882 -1.615 1.00 0.00 C ATOM 393 OD1 ASN A 25 94.676 15.307 -2.560 1.00 0.00 O ATOM 394 ND2 ASN A 25 93.898 15.589 -0.522 1.00 0.00 N ATOM 0 H ASN A 25 92.460 11.276 -2.296 1.00 0.00 H new ATOM 0 HA ASN A 25 94.304 13.049 -3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.293 13.678 -2.132 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.159 13.113 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 25 94.367 16.492 -0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 25 93.344 15.238 0.260 1.00 0.00 H new ATOM 401 N VAL A 26 95.344 11.262 -0.971 1.00 0.00 N ATOM 402 CA VAL A 26 96.525 10.825 -0.225 1.00 0.00 C ATOM 403 C VAL A 26 97.555 10.213 -1.172 1.00 0.00 C ATOM 404 O VAL A 26 98.744 10.495 -1.057 1.00 0.00 O ATOM 405 CB VAL A 26 96.121 9.797 0.855 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.354 9.314 1.636 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.140 10.439 1.837 1.00 0.00 C ATOM 0 H VAL A 26 94.483 10.779 -0.714 1.00 0.00 H new ATOM 0 HA VAL A 26 96.970 11.693 0.262 1.00 0.00 H new ATOM 0 HB VAL A 26 95.655 8.946 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.046 8.591 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.058 8.844 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 26 97.833 10.164 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 26 94.857 9.711 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.613 11.297 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.250 10.767 1.300 1.00 0.00 H new ATOM 417 N LYS A 27 97.097 9.354 -2.089 1.00 0.00 N ATOM 418 CA LYS A 27 98.011 8.690 -3.024 1.00 0.00 C ATOM 419 C LYS A 27 98.904 9.718 -3.714 1.00 0.00 C ATOM 420 O LYS A 27 100.125 9.549 -3.763 1.00 0.00 O ATOM 421 CB LYS A 27 97.225 7.894 -4.064 1.00 0.00 C ATOM 422 CG LYS A 27 96.537 6.711 -3.380 1.00 0.00 C ATOM 423 CD LYS A 27 95.766 5.898 -4.419 1.00 0.00 C ATOM 424 CE LYS A 27 95.109 4.695 -3.742 1.00 0.00 C ATOM 425 NZ LYS A 27 94.380 3.888 -4.761 1.00 0.00 N ATOM 0 H LYS A 27 96.114 9.105 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 27 98.640 8.001 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.484 8.533 -4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 27 97.894 7.537 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.278 6.081 -2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 27 95.858 7.069 -2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.007 6.521 -4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 27 96.440 5.562 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 27 95.865 4.083 -3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 27 94.419 5.032 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 93.696 3.264 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.875 4.524 -5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 95.059 3.312 -5.298 1.00 0.00 H new ATOM 439 N ALA A 28 98.288 10.778 -4.242 1.00 0.00 N ATOM 440 CA ALA A 28 99.041 11.832 -4.929 1.00 0.00 C ATOM 441 C ALA A 28 100.162 12.366 -4.035 1.00 0.00 C ATOM 442 O ALA A 28 101.266 12.635 -4.517 1.00 0.00 O ATOM 443 CB ALA A 28 98.105 12.977 -5.313 1.00 0.00 C ATOM 0 H ALA A 28 97.280 10.930 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 28 99.483 11.406 -5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.673 13.756 -5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.325 12.603 -5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.648 13.391 -4.414 1.00 0.00 H new ATOM 449 N LYS A 29 99.878 12.500 -2.734 1.00 0.00 N ATOM 450 CA LYS A 29 100.887 12.983 -1.780 1.00 0.00 C ATOM 451 C LYS A 29 102.061 12.006 -1.722 1.00 0.00 C ATOM 452 O LYS A 29 103.226 12.411 -1.658 1.00 0.00 O ATOM 453 CB LYS A 29 100.273 13.135 -0.383 1.00 0.00 C ATOM 454 CG LYS A 29 99.222 14.245 -0.404 1.00 0.00 C ATOM 455 CD LYS A 29 98.605 14.380 0.989 1.00 0.00 C ATOM 456 CE LYS A 29 97.558 15.497 0.983 1.00 0.00 C ATOM 457 NZ LYS A 29 96.950 15.616 2.338 1.00 0.00 N ATOM 0 H LYS A 29 98.971 12.284 -2.320 1.00 0.00 H new ATOM 0 HA LYS A 29 101.244 13.956 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 29 99.818 12.195 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.051 13.370 0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.678 15.188 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.448 14.016 -1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.144 13.438 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.382 14.600 1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 29 98.020 16.442 0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 29 96.786 15.282 0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.215 16.352 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.525 14.706 2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 97.685 15.873 3.027 1.00 0.00 H new ATOM 471 N ILE A 30 101.734 10.715 -1.759 1.00 0.00 N ATOM 472 CA ILE A 30 102.742 9.652 -1.721 1.00 0.00 C ATOM 473 C ILE A 30 103.653 9.762 -2.932 1.00 0.00 C ATOM 474 O ILE A 30 104.863 9.583 -2.812 1.00 0.00 O ATOM 475 CB ILE A 30 102.067 8.260 -1.672 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.073 8.189 -0.467 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.128 7.149 -1.542 1.00 0.00 C ATOM 478 CD1 ILE A 30 101.810 8.257 0.891 1.00 0.00 C ATOM 0 H ILE A 30 100.773 10.377 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 30 103.341 9.768 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 30 101.516 8.110 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 30 100.360 9.011 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 30 100.499 7.264 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 30 102.635 6.177 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 30 103.800 7.186 -2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 30 103.700 7.297 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 30 101.084 8.205 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 30 102.504 7.420 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 30 102.362 9.194 0.959 1.00 0.00 H new ATOM 490 N GLN A 31 103.063 10.058 -4.087 1.00 0.00 N ATOM 491 CA GLN A 31 103.828 10.199 -5.322 1.00 0.00 C ATOM 492 C GLN A 31 104.853 11.334 -5.197 1.00 0.00 C ATOM 493 O GLN A 31 105.941 11.255 -5.768 1.00 0.00 O ATOM 494 CB GLN A 31 102.874 10.483 -6.493 1.00 0.00 C ATOM 495 CG GLN A 31 103.660 10.547 -7.812 1.00 0.00 C ATOM 496 CD GLN A 31 102.729 10.889 -8.970 1.00 0.00 C ATOM 497 OE1 GLN A 31 101.778 11.652 -8.801 1.00 0.00 O ATOM 498 NE2 GLN A 31 102.956 10.372 -10.147 1.00 0.00 N ATOM 0 H GLN A 31 102.059 10.205 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 31 104.364 9.268 -5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 31 102.115 9.703 -6.551 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.351 11.425 -6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 31 104.448 11.296 -7.737 1.00 0.00 H new ATOM 0 HG3 GLN A 31 104.147 9.590 -7.999 1.00 0.00 H new ATOM 0 HE21 GLN A 31 103.745 9.740 -10.283 1.00 0.00 H new ATOM 0 HE22 GLN A 31 102.344 10.600 -10.931 1.00 0.00 H new ATOM 507 N ASP A 32 104.483 12.392 -4.476 1.00 0.00 N ATOM 508 CA ASP A 32 105.359 13.546 -4.309 1.00 0.00 C ATOM 509 C ASP A 32 106.656 13.184 -3.576 1.00 0.00 C ATOM 510 O ASP A 32 107.719 13.715 -3.907 1.00 0.00 O ATOM 511 CB ASP A 32 104.627 14.642 -3.532 1.00 0.00 C ATOM 512 CG ASP A 32 105.384 15.960 -3.653 1.00 0.00 C ATOM 513 OD1 ASP A 32 105.637 16.572 -2.629 1.00 0.00 O ATOM 514 OD2 ASP A 32 105.699 16.336 -4.770 1.00 0.00 O ATOM 0 H ASP A 32 103.584 12.472 -4.000 1.00 0.00 H new ATOM 0 HA ASP A 32 105.625 13.901 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 32 103.614 14.758 -3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 32 104.538 14.359 -2.483 1.00 0.00 H new ATOM 519 N LYS A 33 106.563 12.302 -2.572 1.00 0.00 N ATOM 520 CA LYS A 33 107.748 11.912 -1.790 1.00 0.00 C ATOM 521 C LYS A 33 108.369 10.589 -2.250 1.00 0.00 C ATOM 522 O LYS A 33 109.556 10.351 -2.010 1.00 0.00 O ATOM 523 CB LYS A 33 107.382 11.791 -0.312 1.00 0.00 C ATOM 524 CG LYS A 33 107.089 13.174 0.264 1.00 0.00 C ATOM 525 CD LYS A 33 106.717 13.054 1.740 1.00 0.00 C ATOM 526 CE LYS A 33 106.450 14.447 2.310 1.00 0.00 C ATOM 527 NZ LYS A 33 106.096 14.334 3.751 1.00 0.00 N ATOM 0 H LYS A 33 105.695 11.850 -2.284 1.00 0.00 H new ATOM 0 HA LYS A 33 108.488 12.697 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.511 11.147 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 33 108.200 11.324 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.962 13.817 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 33 106.274 13.643 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.833 12.427 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 33 107.524 12.571 2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 33 107.332 15.076 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 33 105.639 14.927 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 105.688 15.232 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 105.401 13.571 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 106.951 14.120 4.303 1.00 0.00 H new ATOM 541 N GLU A 34 107.573 9.734 -2.885 1.00 0.00 N ATOM 542 CA GLU A 34 108.066 8.430 -3.347 1.00 0.00 C ATOM 543 C GLU A 34 108.416 8.439 -4.835 1.00 0.00 C ATOM 544 O GLU A 34 109.129 7.549 -5.307 1.00 0.00 O ATOM 545 CB GLU A 34 107.007 7.359 -3.077 1.00 0.00 C ATOM 546 CG GLU A 34 106.826 7.171 -1.565 1.00 0.00 C ATOM 547 CD GLU A 34 108.092 6.593 -0.943 1.00 0.00 C ATOM 548 OE1 GLU A 34 108.572 7.178 0.011 1.00 0.00 O ATOM 549 OE2 GLU A 34 108.559 5.574 -1.429 1.00 0.00 O ATOM 0 H GLU A 34 106.591 9.914 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 34 108.980 8.208 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.060 7.649 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 34 107.305 6.417 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 34 106.589 8.128 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 34 105.984 6.506 -1.374 1.00 0.00 H new ATOM 556 N GLY A 35 107.928 9.445 -5.565 1.00 0.00 N ATOM 557 CA GLY A 35 108.204 9.556 -6.996 1.00 0.00 C ATOM 558 C GLY A 35 107.596 8.396 -7.786 1.00 0.00 C ATOM 559 O GLY A 35 108.043 8.114 -8.901 1.00 0.00 O ATOM 0 H GLY A 35 107.342 10.191 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 35 107.805 10.499 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.282 9.579 -7.157 1.00 0.00 H new ATOM 563 N ILE A 36 106.588 7.718 -7.212 1.00 0.00 N ATOM 564 CA ILE A 36 105.956 6.584 -7.895 1.00 0.00 C ATOM 565 C ILE A 36 104.490 6.908 -8.259 1.00 0.00 C ATOM 566 O ILE A 36 103.750 7.421 -7.413 1.00 0.00 O ATOM 567 CB ILE A 36 106.017 5.314 -7.026 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.480 4.990 -6.686 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.404 4.127 -7.795 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.538 4.005 -5.515 1.00 0.00 C ATOM 0 H ILE A 36 106.201 7.932 -6.293 1.00 0.00 H new ATOM 0 HA ILE A 36 106.510 6.401 -8.815 1.00 0.00 H new ATOM 0 HB ILE A 36 105.455 5.484 -6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.979 4.563 -7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 36 108.014 5.905 -6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.449 3.231 -7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 36 104.365 4.348 -8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 36 105.964 3.961 -8.715 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.578 3.780 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 36 107.056 4.448 -4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 36 107.021 3.085 -5.787 1.00 0.00 H new ATOM 582 N PRO A 37 104.049 6.622 -9.491 1.00 0.00 N ATOM 583 CA PRO A 37 102.648 6.907 -9.919 1.00 0.00 C ATOM 584 C PRO A 37 101.596 6.347 -8.936 1.00 0.00 C ATOM 585 O PRO A 37 101.788 5.252 -8.398 1.00 0.00 O ATOM 586 CB PRO A 37 102.521 6.230 -11.283 1.00 0.00 C ATOM 587 CG PRO A 37 103.908 6.142 -11.811 1.00 0.00 C ATOM 588 CD PRO A 37 104.822 6.007 -10.602 1.00 0.00 C ATOM 0 HA PRO A 37 102.460 7.980 -9.952 1.00 0.00 H new ATOM 0 HB2 PRO A 37 102.072 5.241 -11.190 1.00 0.00 H new ATOM 0 HB3 PRO A 37 101.882 6.808 -11.951 1.00 0.00 H new ATOM 0 HG2 PRO A 37 104.016 5.286 -12.477 1.00 0.00 H new ATOM 0 HG3 PRO A 37 104.160 7.030 -12.391 1.00 0.00 H new ATOM 0 HD2 PRO A 37 105.056 4.963 -10.394 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.770 6.521 -10.760 1.00 0.00 H new ATOM 596 N PRO A 38 100.491 7.059 -8.687 1.00 0.00 N ATOM 597 CA PRO A 38 99.422 6.584 -7.748 1.00 0.00 C ATOM 598 C PRO A 38 98.879 5.205 -8.135 1.00 0.00 C ATOM 599 O PRO A 38 98.538 4.396 -7.269 1.00 0.00 O ATOM 600 CB PRO A 38 98.320 7.647 -7.863 1.00 0.00 C ATOM 601 CG PRO A 38 98.993 8.869 -8.386 1.00 0.00 C ATOM 602 CD PRO A 38 100.140 8.384 -9.257 1.00 0.00 C ATOM 0 HA PRO A 38 99.804 6.468 -6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.527 7.318 -8.535 1.00 0.00 H new ATOM 0 HB3 PRO A 38 97.858 7.838 -6.895 1.00 0.00 H new ATOM 0 HG2 PRO A 38 98.298 9.479 -8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 38 99.361 9.490 -7.569 1.00 0.00 H new ATOM 0 HD2 PRO A 38 99.840 8.302 -10.302 1.00 0.00 H new ATOM 0 HD3 PRO A 38 100.986 9.070 -9.221 1.00 0.00 H new ATOM 610 N ASP A 39 98.800 4.958 -9.443 1.00 0.00 N ATOM 611 CA ASP A 39 98.290 3.682 -9.959 1.00 0.00 C ATOM 612 C ASP A 39 99.173 2.512 -9.522 1.00 0.00 C ATOM 613 O ASP A 39 98.670 1.411 -9.285 1.00 0.00 O ATOM 614 CB ASP A 39 98.222 3.720 -11.489 1.00 0.00 C ATOM 615 CG ASP A 39 99.589 4.079 -12.062 1.00 0.00 C ATOM 616 OD1 ASP A 39 100.255 3.184 -12.556 1.00 0.00 O ATOM 617 OD2 ASP A 39 99.944 5.244 -12.005 1.00 0.00 O ATOM 0 H ASP A 39 99.081 5.621 -10.165 1.00 0.00 H new ATOM 0 HA ASP A 39 97.291 3.535 -9.549 1.00 0.00 H new ATOM 0 HB2 ASP A 39 97.901 2.751 -11.871 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.480 4.451 -11.810 1.00 0.00 H new ATOM 622 N GLN A 40 100.482 2.755 -9.428 1.00 0.00 N ATOM 623 CA GLN A 40 101.426 1.705 -9.030 1.00 0.00 C ATOM 624 C GLN A 40 101.496 1.548 -7.504 1.00 0.00 C ATOM 625 O GLN A 40 102.078 0.583 -7.008 1.00 0.00 O ATOM 626 CB GLN A 40 102.820 2.032 -9.570 1.00 0.00 C ATOM 627 CG GLN A 40 103.715 0.785 -9.498 1.00 0.00 C ATOM 628 CD GLN A 40 105.094 1.063 -10.099 1.00 0.00 C ATOM 629 OE1 GLN A 40 105.274 2.004 -10.878 1.00 0.00 O ATOM 630 NE2 GLN A 40 106.090 0.286 -9.782 1.00 0.00 N ATOM 0 H GLN A 40 100.911 3.660 -9.620 1.00 0.00 H new ATOM 0 HA GLN A 40 101.070 0.764 -9.450 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.748 2.379 -10.601 1.00 0.00 H new ATOM 0 HB3 GLN A 40 103.263 2.842 -8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.824 0.471 -8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 40 103.241 -0.038 -10.032 1.00 0.00 H new ATOM 0 HE21 GLN A 40 105.945 -0.492 -9.139 1.00 0.00 H new ATOM 0 HE22 GLN A 40 107.015 0.456 -10.177 1.00 0.00 H new ATOM 639 N GLN A 41 100.905 2.496 -6.763 1.00 0.00 N ATOM 640 CA GLN A 41 100.920 2.442 -5.301 1.00 0.00 C ATOM 641 C GLN A 41 99.521 2.244 -4.736 1.00 0.00 C ATOM 642 O GLN A 41 98.590 2.976 -5.076 1.00 0.00 O ATOM 643 CB GLN A 41 101.512 3.729 -4.736 1.00 0.00 C ATOM 644 CG GLN A 41 103.005 3.786 -5.049 1.00 0.00 C ATOM 645 CD GLN A 41 103.595 5.083 -4.513 1.00 0.00 C ATOM 646 OE1 GLN A 41 103.152 6.169 -4.886 1.00 0.00 O ATOM 647 NE2 GLN A 41 104.586 5.035 -3.665 1.00 0.00 N ATOM 0 H GLN A 41 100.415 3.302 -7.152 1.00 0.00 H new ATOM 0 HA GLN A 41 101.534 1.590 -5.009 1.00 0.00 H new ATOM 0 HB2 GLN A 41 101.007 4.593 -5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 41 101.354 3.771 -3.658 1.00 0.00 H new ATOM 0 HG2 GLN A 41 103.513 2.932 -4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 41 103.163 3.721 -6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.951 4.133 -3.358 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.995 5.899 -3.310 1.00 0.00 H new ATOM 656 N ARG A 42 99.400 1.254 -3.853 1.00 0.00 N ATOM 657 CA ARG A 42 98.134 0.949 -3.199 1.00 0.00 C ATOM 658 C ARG A 42 98.339 0.916 -1.694 1.00 0.00 C ATOM 659 O ARG A 42 99.320 0.345 -1.214 1.00 0.00 O ATOM 660 CB ARG A 42 97.600 -0.403 -3.670 1.00 0.00 C ATOM 661 CG ARG A 42 97.169 -0.302 -5.130 1.00 0.00 C ATOM 662 CD ARG A 42 96.494 -1.603 -5.553 1.00 0.00 C ATOM 663 NE ARG A 42 96.007 -1.487 -6.930 1.00 0.00 N ATOM 664 CZ ARG A 42 94.917 -0.765 -7.261 1.00 0.00 C ATOM 665 NH1 ARG A 42 94.221 -0.113 -6.356 1.00 0.00 N ATOM 666 NH2 ARG A 42 94.546 -0.713 -8.509 1.00 0.00 N ATOM 0 H ARG A 42 100.171 0.647 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 42 97.409 1.721 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.369 -1.168 -3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.756 -0.708 -3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.483 0.535 -5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 42 98.035 -0.107 -5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 42 97.199 -2.431 -5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 42 95.665 -1.827 -4.882 1.00 0.00 H new ATOM 0 HE ARG A 42 96.514 -1.973 -7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 42 94.501 -0.146 -5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 42 93.401 0.426 -6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 42 95.078 -1.214 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 42 93.724 -0.171 -8.774 1.00 0.00 H new ATOM 680 N LEU A 43 97.425 1.547 -0.954 1.00 0.00 N ATOM 681 CA LEU A 43 97.532 1.605 0.500 1.00 0.00 C ATOM 682 C LEU A 43 96.518 0.684 1.162 1.00 0.00 C ATOM 683 O LEU A 43 95.388 0.539 0.684 1.00 0.00 O ATOM 684 CB LEU A 43 97.286 3.043 0.973 1.00 0.00 C ATOM 685 CG LEU A 43 98.483 3.928 0.601 1.00 0.00 C ATOM 686 CD1 LEU A 43 98.081 5.402 0.707 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.646 3.662 1.564 1.00 0.00 C ATOM 0 H LEU A 43 96.608 2.022 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 43 98.533 1.280 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 43 96.377 3.435 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 43 97.133 3.059 2.052 1.00 0.00 H new ATOM 0 HG LEU A 43 98.791 3.698 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.931 6.031 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 43 97.255 5.604 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.771 5.622 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 43 100.493 4.293 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 43 99.334 3.889 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.939 2.614 1.499 1.00 0.00 H new ATOM 699 N ILE A 44 96.931 0.082 2.276 1.00 0.00 N ATOM 700 CA ILE A 44 96.061 -0.806 3.041 1.00 0.00 C ATOM 701 C ILE A 44 96.129 -0.431 4.515 1.00 0.00 C ATOM 702 O ILE A 44 97.180 -0.044 5.030 1.00 0.00 O ATOM 703 CB ILE A 44 96.443 -2.285 2.836 1.00 0.00 C ATOM 704 CG1 ILE A 44 96.226 -2.646 1.357 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.565 -3.200 3.725 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.763 -4.049 1.057 1.00 0.00 C ATOM 0 H ILE A 44 97.866 0.194 2.669 1.00 0.00 H new ATOM 0 HA ILE A 44 95.039 -0.685 2.683 1.00 0.00 H new ATOM 0 HB ILE A 44 97.487 -2.431 3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 44 95.163 -2.599 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.728 -1.916 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.848 -4.241 3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.712 -2.939 4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.516 -3.066 3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.599 -4.284 0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.830 -4.084 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 44 96.242 -4.778 1.677 1.00 0.00 H new ATOM 718 N PHE A 45 94.987 -0.566 5.169 1.00 0.00 N ATOM 719 CA PHE A 45 94.863 -0.261 6.586 1.00 0.00 C ATOM 720 C PHE A 45 94.083 -1.370 7.296 1.00 0.00 C ATOM 721 O PHE A 45 93.074 -1.859 6.791 1.00 0.00 O ATOM 722 CB PHE A 45 94.162 1.094 6.766 1.00 0.00 C ATOM 723 CG PHE A 45 94.030 1.427 8.243 1.00 0.00 C ATOM 724 CD1 PHE A 45 95.175 1.662 9.019 1.00 0.00 C ATOM 725 CD2 PHE A 45 92.762 1.489 8.835 1.00 0.00 C ATOM 726 CE1 PHE A 45 95.051 1.958 10.379 1.00 0.00 C ATOM 727 CE2 PHE A 45 92.639 1.787 10.195 1.00 0.00 C ATOM 728 CZ PHE A 45 93.783 2.023 10.967 1.00 0.00 C ATOM 0 H PHE A 45 94.122 -0.889 4.735 1.00 0.00 H new ATOM 0 HA PHE A 45 95.857 -0.202 7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.729 1.875 6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 45 93.176 1.065 6.303 1.00 0.00 H new ATOM 0 HD1 PHE A 45 96.154 1.614 8.565 1.00 0.00 H new ATOM 0 HD2 PHE A 45 91.879 1.306 8.240 1.00 0.00 H new ATOM 0 HE1 PHE A 45 95.933 2.136 10.976 1.00 0.00 H new ATOM 0 HE2 PHE A 45 91.661 1.835 10.651 1.00 0.00 H new ATOM 0 HZ PHE A 45 93.687 2.255 12.017 1.00 0.00 H new ATOM 738 N ALA A 46 94.573 -1.742 8.474 1.00 0.00 N ATOM 739 CA ALA A 46 93.946 -2.788 9.283 1.00 0.00 C ATOM 740 C ALA A 46 93.644 -4.052 8.459 1.00 0.00 C ATOM 741 O ALA A 46 92.816 -4.875 8.863 1.00 0.00 O ATOM 742 CB ALA A 46 92.647 -2.259 9.902 1.00 0.00 C ATOM 0 H ALA A 46 95.408 -1.333 8.894 1.00 0.00 H new ATOM 0 HA ALA A 46 94.651 -3.061 10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 46 92.185 -3.042 10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 46 92.869 -1.400 10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.962 -1.959 9.109 1.00 0.00 H new ATOM 748 N GLY A 47 94.332 -4.210 7.319 1.00 0.00 N ATOM 749 CA GLY A 47 94.145 -5.382 6.463 1.00 0.00 C ATOM 750 C GLY A 47 93.245 -5.099 5.251 1.00 0.00 C ATOM 751 O GLY A 47 93.309 -5.824 4.255 1.00 0.00 O ATOM 0 H GLY A 47 95.020 -3.541 6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 47 95.117 -5.730 6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.710 -6.190 7.051 1.00 0.00 H new ATOM 755 N LYS A 48 92.414 -4.056 5.336 1.00 0.00 N ATOM 756 CA LYS A 48 91.509 -3.702 4.232 1.00 0.00 C ATOM 757 C LYS A 48 92.094 -2.565 3.400 1.00 0.00 C ATOM 758 O LYS A 48 92.803 -1.714 3.929 1.00 0.00 O ATOM 759 CB LYS A 48 90.126 -3.299 4.771 1.00 0.00 C ATOM 760 CG LYS A 48 90.256 -2.118 5.745 1.00 0.00 C ATOM 761 CD LYS A 48 88.870 -1.699 6.236 1.00 0.00 C ATOM 762 CE LYS A 48 88.997 -0.445 7.104 1.00 0.00 C ATOM 763 NZ LYS A 48 89.752 -0.776 8.347 1.00 0.00 N ATOM 0 H LYS A 48 92.347 -3.445 6.150 1.00 0.00 H new ATOM 0 HA LYS A 48 91.395 -4.580 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 48 89.471 -3.026 3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.664 -4.147 5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 48 90.882 -2.400 6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.746 -1.279 5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 48 88.215 -1.502 5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.415 -2.507 6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.511 0.342 6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 48 88.008 -0.063 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 89.270 -0.357 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 89.796 -1.809 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 90.717 -0.394 8.279 1.00 0.00 H new ATOM 777 N GLN A 49 91.780 -2.551 2.103 1.00 0.00 N ATOM 778 CA GLN A 49 92.278 -1.508 1.214 1.00 0.00 C ATOM 779 C GLN A 49 91.460 -0.230 1.368 1.00 0.00 C ATOM 780 O GLN A 49 90.279 -0.274 1.729 1.00 0.00 O ATOM 781 CB GLN A 49 92.205 -1.986 -0.237 1.00 0.00 C ATOM 782 CG GLN A 49 92.970 -1.012 -1.143 1.00 0.00 C ATOM 783 CD GLN A 49 93.022 -1.541 -2.576 1.00 0.00 C ATOM 784 OE1 GLN A 49 92.968 -2.751 -2.805 1.00 0.00 O ATOM 785 NE2 GLN A 49 93.118 -0.697 -3.562 1.00 0.00 N ATOM 0 H GLN A 49 91.187 -3.247 1.650 1.00 0.00 H new ATOM 0 HA GLN A 49 93.313 -1.296 1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 49 92.630 -2.986 -0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 49 91.165 -2.053 -0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 49 92.486 -0.035 -1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 49 93.982 -0.872 -0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 49 93.163 0.304 -3.374 1.00 0.00 H new ATOM 0 HE22 GLN A 49 93.148 -1.037 -4.523 1.00 0.00 H new ATOM 794 N LEU A 50 92.102 0.899 1.076 1.00 0.00 N ATOM 795 CA LEU A 50 91.450 2.197 1.167 1.00 0.00 C ATOM 796 C LEU A 50 90.849 2.576 -0.183 1.00 0.00 C ATOM 797 O LEU A 50 91.559 2.671 -1.187 1.00 0.00 O ATOM 798 CB LEU A 50 92.467 3.254 1.600 1.00 0.00 C ATOM 799 CG LEU A 50 92.907 2.989 3.046 1.00 0.00 C ATOM 800 CD1 LEU A 50 94.159 3.811 3.355 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.789 3.401 4.014 1.00 0.00 C ATOM 0 H LEU A 50 93.075 0.938 0.774 1.00 0.00 H new ATOM 0 HA LEU A 50 90.650 2.144 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.332 3.233 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 50 92.028 4.249 1.520 1.00 0.00 H new ATOM 0 HG LEU A 50 93.120 1.927 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.473 3.624 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 50 94.960 3.525 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.938 4.871 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 50 92.107 3.211 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.575 4.463 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 50 90.890 2.823 3.799 1.00 0.00 H new ATOM 813 N GLU A 51 89.534 2.778 -0.186 1.00 0.00 N ATOM 814 CA GLU A 51 88.816 3.136 -1.405 1.00 0.00 C ATOM 815 C GLU A 51 89.117 4.581 -1.803 1.00 0.00 C ATOM 816 O GLU A 51 89.061 5.490 -0.970 1.00 0.00 O ATOM 817 CB GLU A 51 87.312 2.957 -1.186 1.00 0.00 C ATOM 818 CG GLU A 51 86.566 3.107 -2.520 1.00 0.00 C ATOM 819 CD GLU A 51 85.058 2.879 -2.343 1.00 0.00 C ATOM 820 OE1 GLU A 51 84.662 2.286 -1.347 1.00 0.00 O ATOM 821 OE2 GLU A 51 84.317 3.307 -3.212 1.00 0.00 O ATOM 0 H GLU A 51 88.944 2.700 0.643 1.00 0.00 H new ATOM 0 HA GLU A 51 89.146 2.481 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 51 87.113 1.975 -0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 51 86.949 3.696 -0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 51 86.740 4.103 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 51 86.962 2.394 -3.243 1.00 0.00 H new ATOM 828 N ASP A 52 89.447 4.768 -3.079 1.00 0.00 N ATOM 829 CA ASP A 52 89.775 6.092 -3.607 1.00 0.00 C ATOM 830 C ASP A 52 88.599 7.059 -3.464 1.00 0.00 C ATOM 831 O ASP A 52 88.796 8.236 -3.151 1.00 0.00 O ATOM 832 CB ASP A 52 90.167 5.979 -5.080 1.00 0.00 C ATOM 833 CG ASP A 52 91.649 5.635 -5.207 1.00 0.00 C ATOM 834 OD1 ASP A 52 92.441 6.228 -4.491 1.00 0.00 O ATOM 835 OD2 ASP A 52 91.972 4.783 -6.018 1.00 0.00 O ATOM 0 H ASP A 52 89.495 4.018 -3.769 1.00 0.00 H new ATOM 0 HA ASP A 52 90.611 6.486 -3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 52 89.565 5.211 -5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.959 6.918 -5.592 1.00 0.00 H new ATOM 840 N GLY A 53 87.386 6.556 -3.708 1.00 0.00 N ATOM 841 CA GLY A 53 86.175 7.382 -3.619 1.00 0.00 C ATOM 842 C GLY A 53 85.694 7.584 -2.175 1.00 0.00 C ATOM 843 O GLY A 53 84.612 8.137 -1.958 1.00 0.00 O ATOM 0 H GLY A 53 87.215 5.585 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.371 8.354 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.379 6.915 -4.200 1.00 0.00 H new ATOM 847 N ARG A 54 86.493 7.144 -1.199 1.00 0.00 N ATOM 848 CA ARG A 54 86.135 7.288 0.213 1.00 0.00 C ATOM 849 C ARG A 54 87.131 8.177 0.934 1.00 0.00 C ATOM 850 O ARG A 54 88.213 8.458 0.411 1.00 0.00 O ATOM 851 CB ARG A 54 86.088 5.913 0.888 1.00 0.00 C ATOM 852 CG ARG A 54 84.923 5.089 0.318 1.00 0.00 C ATOM 853 CD ARG A 54 83.597 5.585 0.905 1.00 0.00 C ATOM 854 NE ARG A 54 82.482 4.842 0.316 1.00 0.00 N ATOM 855 CZ ARG A 54 81.850 5.238 -0.805 1.00 0.00 C ATOM 856 NH1 ARG A 54 82.208 6.326 -1.455 1.00 0.00 N ATOM 857 NH2 ARG A 54 80.863 4.521 -1.262 1.00 0.00 N ATOM 0 H ARG A 54 87.390 6.686 -1.361 1.00 0.00 H new ATOM 0 HA ARG A 54 85.150 7.752 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.029 5.387 0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 54 85.968 6.031 1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.904 5.173 -0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.063 4.034 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 54 83.598 5.458 1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.479 6.651 0.709 1.00 0.00 H new ATOM 0 HE ARG A 54 82.170 3.986 0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 54 82.983 6.893 -1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 54 81.710 6.601 -2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 54 80.579 3.673 -0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 54 80.374 4.808 -2.110 1.00 0.00 H new ATOM 871 N THR A 55 86.752 8.624 2.133 1.00 0.00 N ATOM 872 CA THR A 55 87.614 9.492 2.932 1.00 0.00 C ATOM 873 C THR A 55 88.176 8.745 4.137 1.00 0.00 C ATOM 874 O THR A 55 87.654 7.704 4.540 1.00 0.00 O ATOM 875 CB THR A 55 86.833 10.723 3.401 1.00 0.00 C ATOM 876 OG1 THR A 55 85.600 10.314 3.972 1.00 0.00 O ATOM 877 CG2 THR A 55 86.566 11.649 2.213 1.00 0.00 C ATOM 0 H THR A 55 85.858 8.400 2.569 1.00 0.00 H new ATOM 0 HA THR A 55 88.447 9.811 2.306 1.00 0.00 H new ATOM 0 HB THR A 55 87.419 11.258 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.098 9.782 3.320 1.00 0.00 H new ATOM 0 HG21 THR A 55 86.010 12.524 2.551 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.514 11.967 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.983 11.117 1.461 1.00 0.00 H new ATOM 885 N LEU A 56 89.263 9.286 4.682 1.00 0.00 N ATOM 886 CA LEU A 56 89.940 8.679 5.824 1.00 0.00 C ATOM 887 C LEU A 56 89.014 8.609 7.037 1.00 0.00 C ATOM 888 O LEU A 56 89.008 7.608 7.757 1.00 0.00 O ATOM 889 CB LEU A 56 91.188 9.494 6.175 1.00 0.00 C ATOM 890 CG LEU A 56 92.226 9.384 5.047 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.305 10.452 5.244 1.00 0.00 C ATOM 892 CD2 LEU A 56 92.888 8.001 5.070 1.00 0.00 C ATOM 0 H LEU A 56 89.695 10.148 4.349 1.00 0.00 H new ATOM 0 HA LEU A 56 90.227 7.663 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 56 90.918 10.538 6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.616 9.133 7.110 1.00 0.00 H new ATOM 0 HG LEU A 56 91.724 9.529 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.042 10.376 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 56 92.847 11.441 5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.795 10.301 6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.621 7.935 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.385 7.852 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.128 7.232 4.932 1.00 0.00 H new ATOM 904 N SER A 57 88.235 9.673 7.254 1.00 0.00 N ATOM 905 CA SER A 57 87.302 9.715 8.385 1.00 0.00 C ATOM 906 C SER A 57 86.298 8.561 8.306 1.00 0.00 C ATOM 907 O SER A 57 85.856 8.043 9.334 1.00 0.00 O ATOM 908 CB SER A 57 86.545 11.042 8.396 1.00 0.00 C ATOM 909 OG SER A 57 85.788 11.166 7.201 1.00 0.00 O ATOM 0 H SER A 57 88.231 10.508 6.669 1.00 0.00 H new ATOM 0 HA SER A 57 87.882 9.618 9.303 1.00 0.00 H new ATOM 0 HB2 SER A 57 85.886 11.090 9.263 1.00 0.00 H new ATOM 0 HB3 SER A 57 87.246 11.872 8.483 1.00 0.00 H new ATOM 0 HG SER A 57 85.301 12.017 7.209 1.00 0.00 H new ATOM 915 N ASP A 58 85.954 8.168 7.078 1.00 0.00 N ATOM 916 CA ASP A 58 85.008 7.070 6.855 1.00 0.00 C ATOM 917 C ASP A 58 85.616 5.710 7.225 1.00 0.00 C ATOM 918 O ASP A 58 84.884 4.732 7.394 1.00 0.00 O ATOM 919 CB ASP A 58 84.573 7.050 5.387 1.00 0.00 C ATOM 920 CG ASP A 58 83.678 8.254 5.066 1.00 0.00 C ATOM 921 OD1 ASP A 58 82.991 8.729 5.960 1.00 0.00 O ATOM 922 OD2 ASP A 58 83.697 8.685 3.926 1.00 0.00 O ATOM 0 H ASP A 58 86.315 8.592 6.223 1.00 0.00 H new ATOM 0 HA ASP A 58 84.146 7.241 7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 58 85.452 7.063 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 58 84.036 6.125 5.175 1.00 0.00 H new ATOM 927 N TYR A 59 86.949 5.653 7.339 1.00 0.00 N ATOM 928 CA TYR A 59 87.635 4.404 7.677 1.00 0.00 C ATOM 929 C TYR A 59 88.027 4.339 9.156 1.00 0.00 C ATOM 930 O TYR A 59 88.817 3.473 9.542 1.00 0.00 O ATOM 931 CB TYR A 59 88.894 4.248 6.816 1.00 0.00 C ATOM 932 CG TYR A 59 88.516 3.758 5.434 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.208 2.405 5.234 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.475 4.649 4.355 1.00 0.00 C ATOM 935 CE1 TYR A 59 87.860 1.946 3.959 1.00 0.00 C ATOM 936 CE2 TYR A 59 88.125 4.190 3.080 1.00 0.00 C ATOM 937 CZ TYR A 59 87.819 2.837 2.883 1.00 0.00 C ATOM 938 OH TYR A 59 87.474 2.384 1.625 1.00 0.00 O ATOM 0 H TYR A 59 87.568 6.452 7.203 1.00 0.00 H new ATOM 0 HA TYR A 59 86.937 3.591 7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.416 5.202 6.743 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.581 3.544 7.285 1.00 0.00 H new ATOM 0 HD1 TYR A 59 88.239 1.716 6.065 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.714 5.691 4.507 1.00 0.00 H new ATOM 0 HE1 TYR A 59 87.623 0.903 3.806 1.00 0.00 H new ATOM 0 HE2 TYR A 59 88.091 4.878 2.248 1.00 0.00 H new ATOM 0 HH TYR A 59 86.861 1.624 1.708 1.00 0.00 H new ATOM 948 N ASN A 60 87.480 5.243 9.986 1.00 0.00 N ATOM 949 CA ASN A 60 87.794 5.251 11.418 1.00 0.00 C ATOM 950 C ASN A 60 89.305 5.404 11.639 1.00 0.00 C ATOM 951 O ASN A 60 89.914 4.684 12.440 1.00 0.00 O ATOM 952 CB ASN A 60 87.280 3.957 12.066 1.00 0.00 C ATOM 953 CG ASN A 60 85.764 3.872 11.928 1.00 0.00 C ATOM 954 OD1 ASN A 60 85.048 4.784 12.343 1.00 0.00 O ATOM 955 ND2 ASN A 60 85.227 2.824 11.364 1.00 0.00 N ATOM 0 H ASN A 60 86.826 5.968 9.691 1.00 0.00 H new ATOM 0 HA ASN A 60 87.299 6.102 11.885 1.00 0.00 H new ATOM 0 HB2 ASN A 60 87.746 3.093 11.592 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.560 3.932 13.119 1.00 0.00 H new ATOM 0 HD21 ASN A 60 84.214 2.760 11.267 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.821 2.069 11.021 1.00 0.00 H new ATOM 962 N ILE A 61 89.898 6.363 10.925 1.00 0.00 N ATOM 963 CA ILE A 61 91.332 6.631 11.045 1.00 0.00 C ATOM 964 C ILE A 61 91.531 7.866 11.920 1.00 0.00 C ATOM 965 O ILE A 61 91.006 8.941 11.616 1.00 0.00 O ATOM 966 CB ILE A 61 91.960 6.857 9.653 1.00 0.00 C ATOM 967 CG1 ILE A 61 91.716 5.621 8.768 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.476 7.084 9.796 1.00 0.00 C ATOM 969 CD1 ILE A 61 91.997 5.964 7.301 1.00 0.00 C ATOM 0 H ILE A 61 89.410 6.964 10.261 1.00 0.00 H new ATOM 0 HA ILE A 61 91.824 5.772 11.501 1.00 0.00 H new ATOM 0 HB ILE A 61 91.502 7.733 9.194 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.359 4.801 9.088 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.687 5.281 8.880 1.00 0.00 H new ATOM 0 HG21 ILE A 61 93.915 7.243 8.811 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.656 7.960 10.419 1.00 0.00 H new ATOM 0 HG23 ILE A 61 93.933 6.210 10.260 1.00 0.00 H new ATOM 0 HD11 ILE A 61 91.822 5.084 6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.335 6.769 6.982 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.034 6.283 7.194 1.00 0.00 H new ATOM 981 N GLN A 62 92.273 7.694 13.012 1.00 0.00 N ATOM 982 CA GLN A 62 92.523 8.789 13.946 1.00 0.00 C ATOM 983 C GLN A 62 93.925 9.377 13.745 1.00 0.00 C ATOM 984 O GLN A 62 94.634 9.009 12.807 1.00 0.00 O ATOM 985 CB GLN A 62 92.355 8.279 15.388 1.00 0.00 C ATOM 986 CG GLN A 62 90.900 7.854 15.629 1.00 0.00 C ATOM 987 CD GLN A 62 89.972 9.063 15.542 1.00 0.00 C ATOM 988 OE1 GLN A 62 90.242 10.102 16.145 1.00 0.00 O ATOM 989 NE2 GLN A 62 88.888 8.989 14.819 1.00 0.00 N ATOM 0 H GLN A 62 92.710 6.810 13.271 1.00 0.00 H new ATOM 0 HA GLN A 62 91.801 9.583 13.756 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.023 7.436 15.564 1.00 0.00 H new ATOM 0 HB3 GLN A 62 92.636 9.061 16.094 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.605 7.107 14.891 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.808 7.387 16.610 1.00 0.00 H new ATOM 0 HE21 GLN A 62 88.666 8.128 14.320 1.00 0.00 H new ATOM 0 HE22 GLN A 62 88.263 9.793 14.753 1.00 0.00 H new ATOM 998 N LYS A 63 94.305 10.290 14.643 1.00 0.00 N ATOM 999 CA LYS A 63 95.603 10.940 14.595 1.00 0.00 C ATOM 1000 C LYS A 63 96.722 9.937 14.845 1.00 0.00 C ATOM 1001 O LYS A 63 96.604 9.062 15.707 1.00 0.00 O ATOM 1002 CB LYS A 63 95.652 12.035 15.659 1.00 0.00 C ATOM 1003 CG LYS A 63 94.693 13.159 15.274 1.00 0.00 C ATOM 1004 CD LYS A 63 94.728 14.253 16.339 1.00 0.00 C ATOM 1005 CE LYS A 63 93.832 15.409 15.900 1.00 0.00 C ATOM 1006 NZ LYS A 63 93.863 16.484 16.933 1.00 0.00 N ATOM 0 H LYS A 63 93.718 10.594 15.420 1.00 0.00 H new ATOM 0 HA LYS A 63 95.744 11.371 13.604 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.378 11.625 16.631 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.666 12.423 15.751 1.00 0.00 H new ATOM 0 HG2 LYS A 63 94.972 13.572 14.305 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.681 12.768 15.174 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.388 13.857 17.296 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.750 14.604 16.484 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.171 15.802 14.941 1.00 0.00 H new ATOM 0 HE3 LYS A 63 92.810 15.057 15.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 93.253 17.271 16.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 93.520 16.105 17.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 94.838 16.827 17.048 1.00 0.00 H new ATOM 1020 N GLU A 64 97.803 10.078 14.080 1.00 0.00 N ATOM 1021 CA GLU A 64 98.958 9.192 14.199 1.00 0.00 C ATOM 1022 C GLU A 64 98.544 7.735 14.004 1.00 0.00 C ATOM 1023 O GLU A 64 98.216 7.030 14.963 1.00 0.00 O ATOM 1024 CB GLU A 64 99.616 9.374 15.568 1.00 0.00 C ATOM 1025 CG GLU A 64 100.279 10.753 15.654 1.00 0.00 C ATOM 1026 CD GLU A 64 100.885 10.997 17.047 1.00 0.00 C ATOM 1027 OE1 GLU A 64 101.437 12.064 17.232 1.00 0.00 O ATOM 1028 OE2 GLU A 64 100.793 10.124 17.909 1.00 0.00 O ATOM 0 H GLU A 64 97.902 10.801 13.368 1.00 0.00 H new ATOM 0 HA GLU A 64 99.675 9.451 13.420 1.00 0.00 H new ATOM 0 HB2 GLU A 64 98.870 9.271 16.356 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.360 8.594 15.729 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.059 10.831 14.897 1.00 0.00 H new ATOM 0 HG3 GLU A 64 99.543 11.527 15.435 1.00 0.00 H new ATOM 1035 N SER A 65 98.572 7.296 12.745 1.00 0.00 N ATOM 1036 CA SER A 65 98.211 5.924 12.395 1.00 0.00 C ATOM 1037 C SER A 65 99.258 5.346 11.453 1.00 0.00 C ATOM 1038 O SER A 65 99.824 6.069 10.628 1.00 0.00 O ATOM 1039 CB SER A 65 96.838 5.900 11.721 1.00 0.00 C ATOM 1040 OG SER A 65 96.497 4.558 11.396 1.00 0.00 O ATOM 0 H SER A 65 98.842 7.874 11.949 1.00 0.00 H new ATOM 0 HA SER A 65 98.170 5.322 13.303 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.087 6.328 12.385 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.852 6.512 10.819 1.00 0.00 H new ATOM 0 HG SER A 65 95.525 4.482 11.298 1.00 0.00 H new ATOM 1046 N THR A 66 99.517 4.042 11.588 1.00 0.00 N ATOM 1047 CA THR A 66 100.512 3.379 10.748 1.00 0.00 C ATOM 1048 C THR A 66 99.843 2.664 9.581 1.00 0.00 C ATOM 1049 O THR A 66 99.058 1.732 9.775 1.00 0.00 O ATOM 1050 CB THR A 66 101.312 2.371 11.579 1.00 0.00 C ATOM 1051 OG1 THR A 66 101.772 3.002 12.767 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.516 1.875 10.769 1.00 0.00 C ATOM 0 H THR A 66 99.056 3.432 12.264 1.00 0.00 H new ATOM 0 HA THR A 66 101.186 4.139 10.352 1.00 0.00 H new ATOM 0 HB THR A 66 100.674 1.525 11.835 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.283 2.359 13.302 1.00 0.00 H new ATOM 0 HG21 THR A 66 103.083 1.158 11.362 1.00 0.00 H new ATOM 0 HG22 THR A 66 102.167 1.394 9.855 1.00 0.00 H new ATOM 0 HG23 THR A 66 103.155 2.720 10.513 1.00 0.00 H new ATOM 1060 N LEU A 67 100.169 3.114 8.371 1.00 0.00 N ATOM 1061 CA LEU A 67 99.608 2.530 7.155 1.00 0.00 C ATOM 1062 C LEU A 67 100.654 1.688 6.449 1.00 0.00 C ATOM 1063 O LEU A 67 101.849 1.899 6.629 1.00 0.00 O ATOM 1064 CB LEU A 67 99.141 3.643 6.209 1.00 0.00 C ATOM 1065 CG LEU A 67 97.962 4.403 6.831 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.757 5.725 6.086 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.681 3.569 6.709 1.00 0.00 C ATOM 0 H LEU A 67 100.820 3.882 8.207 1.00 0.00 H new ATOM 0 HA LEU A 67 98.761 1.902 7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.963 4.331 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.844 3.216 5.251 1.00 0.00 H new ATOM 0 HG LEU A 67 98.179 4.593 7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.920 6.265 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.660 6.330 6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.545 5.522 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.848 4.114 7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.470 3.378 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.813 2.621 7.231 1.00 0.00 H new ATOM 1079 N HIS A 68 100.192 0.733 5.645 1.00 0.00 N ATOM 1080 CA HIS A 68 101.091 -0.144 4.897 1.00 0.00 C ATOM 1081 C HIS A 68 100.972 0.132 3.409 1.00 0.00 C ATOM 1082 O HIS A 68 99.864 0.219 2.871 1.00 0.00 O ATOM 1083 CB HIS A 68 100.754 -1.620 5.185 1.00 0.00 C ATOM 1084 CG HIS A 68 101.556 -2.116 6.358 1.00 0.00 C ATOM 1085 ND1 HIS A 68 101.548 -1.473 7.584 1.00 0.00 N ATOM 1086 CD2 HIS A 68 102.415 -3.177 6.494 1.00 0.00 C ATOM 1087 CE1 HIS A 68 102.384 -2.145 8.397 1.00 0.00 C ATOM 1088 NE2 HIS A 68 102.937 -3.194 7.782 1.00 0.00 N ATOM 0 H HIS A 68 99.201 0.546 5.494 1.00 0.00 H new ATOM 0 HA HIS A 68 102.115 0.054 5.213 1.00 0.00 H new ATOM 0 HB2 HIS A 68 99.689 -1.724 5.393 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.968 -2.228 4.306 1.00 0.00 H new ATOM 0 HD2 HIS A 68 102.650 -3.891 5.718 1.00 0.00 H new ATOM 0 HE1 HIS A 68 102.584 -1.870 9.422 1.00 0.00 H new ATOM 0 HE2 HIS A 68 103.600 -3.863 8.173 1.00 0.00 H new ATOM 1096 N LEU A 69 102.124 0.266 2.754 1.00 0.00 N ATOM 1097 CA LEU A 69 102.162 0.531 1.323 1.00 0.00 C ATOM 1098 C LEU A 69 102.586 -0.719 0.568 1.00 0.00 C ATOM 1099 O LEU A 69 103.491 -1.438 0.998 1.00 0.00 O ATOM 1100 CB LEU A 69 103.147 1.671 1.011 1.00 0.00 C ATOM 1101 CG LEU A 69 103.036 2.064 -0.472 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.753 2.864 -0.700 1.00 0.00 C ATOM 1103 CD2 LEU A 69 104.245 2.907 -0.880 1.00 0.00 C ATOM 0 H LEU A 69 103.041 0.195 3.194 1.00 0.00 H new ATOM 0 HA LEU A 69 101.162 0.826 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.932 2.533 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 69 104.166 1.356 1.238 1.00 0.00 H new ATOM 0 HG LEU A 69 103.010 1.158 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.679 3.140 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.891 2.257 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.773 3.766 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.159 3.181 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.281 3.810 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 69 105.158 2.331 -0.729 1.00 0.00 H new ATOM 1115 N VAL A 70 101.936 -0.955 -0.569 1.00 0.00 N ATOM 1116 CA VAL A 70 102.248 -2.098 -1.417 1.00 0.00 C ATOM 1117 C VAL A 70 102.508 -1.571 -2.825 1.00 0.00 C ATOM 1118 O VAL A 70 101.912 -0.568 -3.227 1.00 0.00 O ATOM 1119 CB VAL A 70 101.068 -3.093 -1.432 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.443 -4.331 -2.256 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.721 -3.523 0.005 1.00 0.00 C ATOM 0 H VAL A 70 101.185 -0.364 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 70 103.124 -2.624 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 70 100.203 -2.605 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.607 -5.030 -2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.675 -4.031 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.315 -4.813 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 70 99.887 -4.225 -0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.587 -4.002 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.442 -2.646 0.590 1.00 0.00 H new ATOM 1131 N LEU A 71 103.393 -2.238 -3.568 1.00 0.00 N ATOM 1132 CA LEU A 71 103.708 -1.805 -4.931 1.00 0.00 C ATOM 1133 C LEU A 71 103.125 -2.780 -5.944 1.00 0.00 C ATOM 1134 O LEU A 71 103.337 -3.991 -5.838 1.00 0.00 O ATOM 1135 CB LEU A 71 105.229 -1.716 -5.122 1.00 0.00 C ATOM 1136 CG LEU A 71 105.545 -0.996 -6.442 1.00 0.00 C ATOM 1137 CD1 LEU A 71 105.307 0.510 -6.284 1.00 0.00 C ATOM 1138 CD2 LEU A 71 107.007 -1.239 -6.826 1.00 0.00 C ATOM 0 H LEU A 71 103.898 -3.068 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 71 103.268 -0.820 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.679 -1.179 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.663 -2.716 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 71 104.893 -1.386 -7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.533 1.015 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 71 104.265 0.688 -6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.954 0.900 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 71 107.227 -0.727 -7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.658 -0.855 -6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 71 107.178 -2.309 -6.948 1.00 0.00 H new ATOM 1150 N ARG A 72 102.398 -2.243 -6.933 1.00 0.00 N ATOM 1151 CA ARG A 72 101.798 -3.061 -7.967 1.00 0.00 C ATOM 1152 C ARG A 72 102.644 -2.989 -9.243 1.00 0.00 C ATOM 1153 O ARG A 72 102.423 -2.131 -10.101 1.00 0.00 O ATOM 1154 CB ARG A 72 100.381 -2.572 -8.255 1.00 0.00 C ATOM 1155 CG ARG A 72 99.709 -3.527 -9.242 1.00 0.00 C ATOM 1156 CD ARG A 72 98.365 -2.953 -9.648 1.00 0.00 C ATOM 1157 NE ARG A 72 98.554 -1.779 -10.508 1.00 0.00 N ATOM 1158 CZ ARG A 72 98.779 -1.875 -11.833 1.00 0.00 C ATOM 1159 NH1 ARG A 72 98.842 -3.041 -12.436 1.00 0.00 N ATOM 1160 NH2 ARG A 72 98.944 -0.786 -12.535 1.00 0.00 N ATOM 0 H ARG A 72 102.218 -1.244 -7.029 1.00 0.00 H new ATOM 0 HA ARG A 72 101.756 -4.095 -7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 72 99.806 -2.522 -7.330 1.00 0.00 H new ATOM 0 HB3 ARG A 72 100.409 -1.564 -8.668 1.00 0.00 H new ATOM 0 HG2 ARG A 72 100.340 -3.666 -10.120 1.00 0.00 H new ATOM 0 HG3 ARG A 72 99.577 -4.508 -8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 72 97.783 -3.709 -10.175 1.00 0.00 H new ATOM 0 HD3 ARG A 72 97.797 -2.675 -8.760 1.00 0.00 H new ATOM 0 HE ARG A 72 98.513 -0.852 -10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 72 98.719 -3.900 -11.900 1.00 0.00 H new ATOM 0 HH12 ARG A 72 99.013 -3.087 -13.440 1.00 0.00 H new ATOM 0 HH21 ARG A 72 98.902 0.126 -12.079 1.00 0.00 H new ATOM 0 HH22 ARG A 72 99.115 -0.847 -13.539 1.00 0.00 H new ATOM 1174 N LEU A 73 103.603 -3.898 -9.351 1.00 0.00 N ATOM 1175 CA LEU A 73 104.485 -3.946 -10.516 1.00 0.00 C ATOM 1176 C LEU A 73 103.728 -4.464 -11.731 1.00 0.00 C ATOM 1177 O LEU A 73 102.818 -5.288 -11.594 1.00 0.00 O ATOM 1178 CB LEU A 73 105.688 -4.851 -10.230 1.00 0.00 C ATOM 1179 CG LEU A 73 106.619 -4.180 -9.213 1.00 0.00 C ATOM 1180 CD1 LEU A 73 107.611 -5.212 -8.671 1.00 0.00 C ATOM 1181 CD2 LEU A 73 107.396 -3.045 -9.892 1.00 0.00 C ATOM 0 H LEU A 73 103.793 -4.613 -8.649 1.00 0.00 H new ATOM 0 HA LEU A 73 104.840 -2.937 -10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 73 105.347 -5.812 -9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 73 106.230 -5.052 -11.154 1.00 0.00 H new ATOM 0 HG LEU A 73 106.023 -3.775 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 73 108.273 -4.736 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 73 107.065 -6.021 -8.185 1.00 0.00 H new ATOM 0 HD13 LEU A 73 108.202 -5.615 -9.493 1.00 0.00 H new ATOM 0 HD21 LEU A 73 108.056 -2.571 -9.166 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.989 -3.450 -10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 73 106.695 -2.307 -10.281 1.00 0.00 H new ATOM 1193 N ARG A 74 104.112 -3.984 -12.917 1.00 0.00 N ATOM 1194 CA ARG A 74 103.471 -4.406 -14.150 1.00 0.00 C ATOM 1195 C ARG A 74 103.978 -5.790 -14.555 1.00 0.00 C ATOM 1196 O ARG A 74 105.162 -6.095 -14.401 1.00 0.00 O ATOM 1197 CB ARG A 74 103.764 -3.393 -15.264 1.00 0.00 C ATOM 1198 CG ARG A 74 102.981 -3.770 -16.525 1.00 0.00 C ATOM 1199 CD ARG A 74 103.343 -2.813 -17.652 1.00 0.00 C ATOM 1200 NE ARG A 74 102.852 -1.465 -17.349 1.00 0.00 N ATOM 1201 CZ ARG A 74 101.581 -1.083 -17.590 1.00 0.00 C ATOM 1202 NH1 ARG A 74 100.701 -1.903 -18.120 1.00 0.00 N ATOM 1203 NH2 ARG A 74 101.215 0.133 -17.287 1.00 0.00 N ATOM 0 H ARG A 74 104.863 -3.305 -13.042 1.00 0.00 H new ATOM 0 HA ARG A 74 102.394 -4.457 -13.991 1.00 0.00 H new ATOM 0 HB2 ARG A 74 103.487 -2.390 -14.939 1.00 0.00 H new ATOM 0 HB3 ARG A 74 104.832 -3.374 -15.480 1.00 0.00 H new ATOM 0 HG2 ARG A 74 103.211 -4.795 -16.816 1.00 0.00 H new ATOM 0 HG3 ARG A 74 101.910 -3.727 -16.327 1.00 0.00 H new ATOM 0 HD2 ARG A 74 104.424 -2.792 -17.788 1.00 0.00 H new ATOM 0 HD3 ARG A 74 102.911 -3.163 -18.589 1.00 0.00 H new ATOM 0 HE ARG A 74 103.497 -0.789 -16.940 1.00 0.00 H new ATOM 0 HH11 ARG A 74 100.972 -2.856 -18.360 1.00 0.00 H new ATOM 0 HH12 ARG A 74 99.747 -1.586 -18.291 1.00 0.00 H new ATOM 0 HH21 ARG A 74 101.887 0.780 -16.874 1.00 0.00 H new ATOM 0 HH22 ARG A 74 100.257 0.436 -17.463 1.00 0.00 H new ATOM 1217 N GLY A 75 103.066 -6.611 -15.076 1.00 0.00 N ATOM 1218 CA GLY A 75 103.412 -7.961 -15.510 1.00 0.00 C ATOM 1219 C GLY A 75 103.236 -8.963 -14.376 1.00 0.00 C ATOM 1220 O GLY A 75 104.129 -9.772 -14.109 1.00 0.00 O ATOM 0 H GLY A 75 102.085 -6.364 -15.207 1.00 0.00 H new ATOM 0 HA2 GLY A 75 102.784 -8.247 -16.353 1.00 0.00 H new ATOM 0 HA3 GLY A 75 104.444 -7.981 -15.860 1.00 0.00 H new ATOM 1224 N GLY A 76 102.078 -8.900 -13.715 1.00 0.00 N ATOM 1225 CA GLY A 76 101.779 -9.803 -12.606 1.00 0.00 C ATOM 1226 C GLY A 76 101.462 -11.205 -13.115 1.00 0.00 C ATOM 1227 O GLY A 76 102.164 -12.127 -12.731 1.00 0.00 O ATOM 1228 OXT GLY A 76 100.522 -11.338 -13.883 1.00 0.00 O ATOM 0 H GLY A 76 101.335 -8.235 -13.929 1.00 0.00 H new ATOM 0 HA2 GLY A 76 102.629 -9.843 -11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 76 100.933 -9.419 -12.037 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 116.481 -13.284 -9.174 1.00 0.00 N ATOM 1234 CA GLN B 198 116.119 -13.204 -7.731 1.00 0.00 C ATOM 1235 C GLN B 198 114.708 -12.640 -7.600 1.00 0.00 C ATOM 1236 O GLN B 198 114.358 -11.665 -8.271 1.00 0.00 O ATOM 1237 CB GLN B 198 117.118 -12.298 -7.002 1.00 0.00 C ATOM 1238 CG GLN B 198 118.492 -12.976 -6.961 1.00 0.00 C ATOM 1239 CD GLN B 198 119.521 -12.046 -6.326 1.00 0.00 C ATOM 1240 OE1 GLN B 198 119.749 -10.941 -6.821 1.00 0.00 O ATOM 1241 NE2 GLN B 198 120.165 -12.428 -5.256 1.00 0.00 N ATOM 0 HA GLN B 198 116.152 -14.198 -7.285 1.00 0.00 H new ATOM 0 HB2 GLN B 198 117.191 -11.337 -7.511 1.00 0.00 H new ATOM 0 HB3 GLN B 198 116.770 -12.097 -5.989 1.00 0.00 H new ATOM 0 HG2 GLN B 198 118.431 -13.904 -6.393 1.00 0.00 H new ATOM 0 HG3 GLN B 198 118.805 -13.241 -7.971 1.00 0.00 H new ATOM 0 HE21 GLN B 198 119.976 -13.343 -4.846 1.00 0.00 H new ATOM 0 HE22 GLN B 198 120.857 -11.811 -4.830 1.00 0.00 H new ATOM 1250 N VAL B 199 113.904 -13.263 -6.735 1.00 0.00 N ATOM 1251 CA VAL B 199 112.523 -12.824 -6.518 1.00 0.00 C ATOM 1252 C VAL B 199 112.384 -12.276 -5.100 1.00 0.00 C ATOM 1253 O VAL B 199 112.782 -12.932 -4.132 1.00 0.00 O ATOM 1254 CB VAL B 199 111.544 -14.002 -6.730 1.00 0.00 C ATOM 1255 CG1 VAL B 199 110.094 -13.520 -6.573 1.00 0.00 C ATOM 1256 CG2 VAL B 199 111.720 -14.584 -8.138 1.00 0.00 C ATOM 0 H VAL B 199 114.183 -14.069 -6.176 1.00 0.00 H new ATOM 0 HA VAL B 199 112.280 -12.041 -7.236 1.00 0.00 H new ATOM 0 HB VAL B 199 111.760 -14.767 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL B 199 109.414 -14.358 -6.724 1.00 0.00 H new ATOM 0 HG12 VAL B 199 109.952 -13.114 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL B 199 109.886 -12.746 -7.311 1.00 0.00 H new ATOM 0 HG21 VAL B 199 111.026 -15.413 -8.278 1.00 0.00 H new ATOM 0 HG22 VAL B 199 111.516 -13.811 -8.879 1.00 0.00 H new ATOM 0 HG23 VAL B 199 112.742 -14.942 -8.259 1.00 0.00 H new ATOM 1266 N THR B 200 111.820 -11.073 -4.994 1.00 0.00 N ATOM 1267 CA THR B 200 111.629 -10.433 -3.699 1.00 0.00 C ATOM 1268 C THR B 200 110.388 -10.989 -3.011 1.00 0.00 C ATOM 1269 O THR B 200 109.495 -11.534 -3.667 1.00 0.00 O ATOM 1270 CB THR B 200 111.475 -8.920 -3.884 1.00 0.00 C ATOM 1271 OG1 THR B 200 110.576 -8.667 -4.957 1.00 0.00 O ATOM 1272 CG2 THR B 200 112.836 -8.293 -4.199 1.00 0.00 C ATOM 0 H THR B 200 111.489 -10.526 -5.789 1.00 0.00 H new ATOM 0 HA THR B 200 112.501 -10.637 -3.078 1.00 0.00 H new ATOM 0 HB THR B 200 111.084 -8.482 -2.966 1.00 0.00 H new ATOM 0 HG1 THR B 200 110.290 -7.730 -4.930 1.00 0.00 H new ATOM 0 HG21 THR B 200 112.720 -7.217 -4.329 1.00 0.00 H new ATOM 0 HG22 THR B 200 113.525 -8.486 -3.377 1.00 0.00 H new ATOM 0 HG23 THR B 200 113.234 -8.729 -5.116 1.00 0.00 H new ATOM 1280 N LYS B 201 110.343 -10.841 -1.688 1.00 0.00 N ATOM 1281 CA LYS B 201 109.213 -11.322 -0.899 1.00 0.00 C ATOM 1282 C LYS B 201 108.832 -10.302 0.162 1.00 0.00 C ATOM 1283 O LYS B 201 109.671 -9.519 0.613 1.00 0.00 O ATOM 1284 CB LYS B 201 109.556 -12.661 -0.240 1.00 0.00 C ATOM 1285 CG LYS B 201 109.648 -13.745 -1.317 1.00 0.00 C ATOM 1286 CD LYS B 201 110.018 -15.079 -0.670 1.00 0.00 C ATOM 1287 CE LYS B 201 110.103 -16.161 -1.748 1.00 0.00 C ATOM 1288 NZ LYS B 201 110.456 -17.463 -1.116 1.00 0.00 N ATOM 0 H LYS B 201 111.077 -10.391 -1.141 1.00 0.00 H new ATOM 0 HA LYS B 201 108.364 -11.465 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.502 -12.584 0.297 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.794 -12.924 0.493 1.00 0.00 H new ATOM 0 HG2 LYS B 201 108.696 -13.834 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.396 -13.470 -2.061 1.00 0.00 H new ATOM 0 HD2 LYS B 201 110.973 -14.992 -0.151 1.00 0.00 H new ATOM 0 HD3 LYS B 201 109.273 -15.352 0.077 1.00 0.00 H new ATOM 0 HE2 LYS B 201 109.150 -16.245 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS B 201 110.852 -15.890 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 110.514 -18.200 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 111.375 -17.378 -0.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 109.726 -17.721 -0.422 1.00 0.00 H new ATOM 1302 N VAL B 202 107.561 -10.325 0.548 1.00 0.00 N ATOM 1303 CA VAL B 202 107.045 -9.403 1.559 1.00 0.00 C ATOM 1304 C VAL B 202 105.852 -10.026 2.278 1.00 0.00 C ATOM 1305 O VAL B 202 105.106 -10.812 1.690 1.00 0.00 O ATOM 1306 CB VAL B 202 106.637 -8.059 0.925 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.890 -7.326 0.427 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.685 -8.293 -0.253 1.00 0.00 C ATOM 0 H VAL B 202 106.866 -10.973 0.176 1.00 0.00 H new ATOM 0 HA VAL B 202 107.839 -9.212 2.281 1.00 0.00 H new ATOM 0 HB VAL B 202 106.129 -7.455 1.677 1.00 0.00 H new ATOM 0 HG11 VAL B 202 107.601 -6.375 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL B 202 108.562 -7.142 1.266 1.00 0.00 H new ATOM 0 HG13 VAL B 202 108.398 -7.939 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL B 202 105.405 -7.335 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL B 202 106.182 -8.905 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.790 -8.806 0.099 1.00 0.00 H new ATOM 1318 N ASP B 203 105.688 -9.670 3.552 1.00 0.00 N ATOM 1319 CA ASP B 203 104.592 -10.195 4.366 1.00 0.00 C ATOM 1320 C ASP B 203 103.276 -9.495 4.023 1.00 0.00 C ATOM 1321 O ASP B 203 103.287 -8.360 3.541 1.00 0.00 O ATOM 1322 CB ASP B 203 104.911 -9.986 5.847 1.00 0.00 C ATOM 1323 CG ASP B 203 103.838 -10.638 6.709 1.00 0.00 C ATOM 1324 OD1 ASP B 203 103.164 -9.916 7.424 1.00 0.00 O ATOM 1325 OD2 ASP B 203 103.706 -11.848 6.643 1.00 0.00 O ATOM 0 H ASP B 203 106.301 -9.019 4.043 1.00 0.00 H new ATOM 0 HA ASP B 203 104.483 -11.259 4.157 1.00 0.00 H new ATOM 0 HB2 ASP B 203 105.886 -10.413 6.081 1.00 0.00 H new ATOM 0 HB3 ASP B 203 104.969 -8.920 6.068 1.00 0.00 H new ATOM 1330 N CYS B 204 102.148 -10.171 4.287 1.00 0.00 N ATOM 1331 CA CYS B 204 100.835 -9.583 4.009 1.00 0.00 C ATOM 1332 C CYS B 204 100.325 -8.820 5.252 1.00 0.00 C ATOM 1333 O CYS B 204 100.213 -9.415 6.320 1.00 0.00 O ATOM 1334 CB CYS B 204 99.819 -10.668 3.623 1.00 0.00 C ATOM 1335 SG CYS B 204 98.212 -9.915 3.204 1.00 0.00 S ATOM 0 H CYS B 204 102.120 -11.109 4.686 1.00 0.00 H new ATOM 0 HA CYS B 204 100.943 -8.892 3.173 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.193 -11.239 2.773 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.695 -11.369 4.448 1.00 0.00 H new ATOM 1340 N PRO B 205 100.008 -7.532 5.156 1.00 0.00 N ATOM 1341 CA PRO B 205 99.493 -6.750 6.335 1.00 0.00 C ATOM 1342 C PRO B 205 98.077 -7.173 6.753 1.00 0.00 C ATOM 1343 O PRO B 205 97.588 -6.785 7.817 1.00 0.00 O ATOM 1344 CB PRO B 205 99.499 -5.300 5.846 1.00 0.00 C ATOM 1345 CG PRO B 205 99.441 -5.367 4.357 1.00 0.00 C ATOM 1346 CD PRO B 205 100.091 -6.680 3.947 1.00 0.00 C ATOM 0 HA PRO B 205 100.107 -6.913 7.221 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.647 -4.750 6.245 1.00 0.00 H new ATOM 0 HB3 PRO B 205 100.398 -4.780 6.178 1.00 0.00 H new ATOM 0 HG2 PRO B 205 98.409 -5.322 4.009 1.00 0.00 H new ATOM 0 HG3 PRO B 205 99.965 -4.521 3.912 1.00 0.00 H new ATOM 0 HD2 PRO B 205 99.569 -7.135 3.105 1.00 0.00 H new ATOM 0 HD3 PRO B 205 101.125 -6.531 3.638 1.00 0.00 H new ATOM 1354 N VAL B 206 97.425 -7.948 5.890 1.00 0.00 N ATOM 1355 CA VAL B 206 96.054 -8.420 6.114 1.00 0.00 C ATOM 1356 C VAL B 206 96.020 -9.736 6.875 1.00 0.00 C ATOM 1357 O VAL B 206 95.274 -9.894 7.845 1.00 0.00 O ATOM 1358 CB VAL B 206 95.381 -8.699 4.755 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.876 -8.951 4.935 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.601 -7.550 3.764 1.00 0.00 C ATOM 0 H VAL B 206 97.831 -8.270 5.011 1.00 0.00 H new ATOM 0 HA VAL B 206 95.545 -7.644 6.685 1.00 0.00 H new ATOM 0 HB VAL B 206 95.848 -9.594 4.344 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.421 -9.146 3.964 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.727 -9.813 5.585 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.411 -8.073 5.384 1.00 0.00 H new ATOM 0 HG21 VAL B 206 95.111 -7.786 2.819 1.00 0.00 H new ATOM 0 HG22 VAL B 206 95.179 -6.632 4.172 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.669 -7.415 3.595 1.00 0.00 H new ATOM 1370 N CYS B 207 96.780 -10.696 6.359 1.00 0.00 N ATOM 1371 CA CYS B 207 96.795 -12.043 6.904 1.00 0.00 C ATOM 1372 C CYS B 207 98.189 -12.472 7.373 1.00 0.00 C ATOM 1373 O CYS B 207 98.320 -13.449 8.114 1.00 0.00 O ATOM 1374 CB CYS B 207 96.252 -12.984 5.808 1.00 0.00 C ATOM 1375 SG CYS B 207 97.497 -13.309 4.524 1.00 0.00 S ATOM 0 H CYS B 207 97.397 -10.562 5.558 1.00 0.00 H new ATOM 0 HA CYS B 207 96.169 -12.086 7.795 1.00 0.00 H new ATOM 0 HB2 CYS B 207 95.940 -13.926 6.259 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.367 -12.540 5.353 1.00 0.00 H new ATOM 1380 N GLY B 208 99.220 -11.740 6.946 1.00 0.00 N ATOM 1381 CA GLY B 208 100.591 -12.054 7.335 1.00 0.00 C ATOM 1382 C GLY B 208 101.022 -13.388 6.754 1.00 0.00 C ATOM 1383 O GLY B 208 101.155 -14.376 7.482 1.00 0.00 O ATOM 0 H GLY B 208 99.130 -10.930 6.333 1.00 0.00 H new ATOM 0 HA2 GLY B 208 101.262 -11.267 6.989 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.668 -12.083 8.422 1.00 0.00 H new ATOM 1387 N VAL B 209 101.242 -13.403 5.441 1.00 0.00 N ATOM 1388 CA VAL B 209 101.672 -14.609 4.751 1.00 0.00 C ATOM 1389 C VAL B 209 102.828 -14.262 3.815 1.00 0.00 C ATOM 1390 O VAL B 209 102.773 -13.260 3.095 1.00 0.00 O ATOM 1391 CB VAL B 209 100.486 -15.224 3.974 1.00 0.00 C ATOM 1392 CG1 VAL B 209 100.954 -16.392 3.090 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.454 -15.746 4.974 1.00 0.00 C ATOM 0 H VAL B 209 101.128 -12.590 4.836 1.00 0.00 H new ATOM 0 HA VAL B 209 102.017 -15.350 5.472 1.00 0.00 H new ATOM 0 HB VAL B 209 100.051 -14.454 3.337 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.101 -16.807 2.554 1.00 0.00 H new ATOM 0 HG12 VAL B 209 101.693 -16.033 2.374 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.401 -17.165 3.715 1.00 0.00 H new ATOM 0 HG21 VAL B 209 98.613 -16.182 4.435 1.00 0.00 H new ATOM 0 HG22 VAL B 209 99.913 -16.506 5.607 1.00 0.00 H new ATOM 0 HG23 VAL B 209 99.100 -14.923 5.594 1.00 0.00 H new ATOM 1403 N ASN B 210 103.857 -15.109 3.822 1.00 0.00 N ATOM 1404 CA ASN B 210 105.014 -14.901 2.962 1.00 0.00 C ATOM 1405 C ASN B 210 104.584 -15.099 1.522 1.00 0.00 C ATOM 1406 O ASN B 210 104.047 -16.153 1.170 1.00 0.00 O ATOM 1407 CB ASN B 210 106.116 -15.894 3.316 1.00 0.00 C ATOM 1408 CG ASN B 210 107.379 -15.556 2.543 1.00 0.00 C ATOM 1409 OD1 ASN B 210 107.826 -16.342 1.707 1.00 0.00 O ATOM 1410 ND2 ASN B 210 107.981 -14.426 2.768 1.00 0.00 N ATOM 0 H ASN B 210 103.910 -15.940 4.411 1.00 0.00 H new ATOM 0 HA ASN B 210 105.402 -13.892 3.101 1.00 0.00 H new ATOM 0 HB2 ASN B 210 106.315 -15.864 4.387 1.00 0.00 H new ATOM 0 HB3 ASN B 210 105.794 -16.908 3.080 1.00 0.00 H new ATOM 0 HD21 ASN B 210 108.827 -14.187 2.251 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.607 -13.778 3.461 1.00 0.00 H new ATOM 1417 N ILE B 211 104.802 -14.076 0.700 1.00 0.00 N ATOM 1418 CA ILE B 211 104.407 -14.141 -0.710 1.00 0.00 C ATOM 1419 C ILE B 211 105.323 -13.255 -1.581 1.00 0.00 C ATOM 1420 O ILE B 211 105.631 -12.128 -1.186 1.00 0.00 O ATOM 1421 CB ILE B 211 102.934 -13.689 -0.894 1.00 0.00 C ATOM 1422 CG1 ILE B 211 101.995 -14.524 0.009 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.516 -13.873 -2.368 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.563 -13.978 -0.040 1.00 0.00 C ATOM 0 H ILE B 211 105.245 -13.200 0.978 1.00 0.00 H new ATOM 0 HA ILE B 211 104.506 -15.179 -1.028 1.00 0.00 H new ATOM 0 HB ILE B 211 102.855 -12.638 -0.614 1.00 0.00 H new ATOM 0 HG12 ILE B 211 102.003 -15.565 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.361 -14.506 1.036 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.481 -13.555 -2.495 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.162 -13.271 -3.007 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.609 -14.923 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE B 211 99.921 -14.581 0.602 1.00 0.00 H new ATOM 0 HD12 ILE B 211 100.556 -12.945 0.307 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.193 -14.020 -1.064 1.00 0.00 H new ATOM 1436 N PRO B 212 105.731 -13.713 -2.770 1.00 0.00 N ATOM 1437 CA PRO B 212 106.584 -12.890 -3.685 1.00 0.00 C ATOM 1438 C PRO B 212 105.930 -11.541 -3.963 1.00 0.00 C ATOM 1439 O PRO B 212 104.717 -11.406 -3.835 1.00 0.00 O ATOM 1440 CB PRO B 212 106.691 -13.728 -4.963 1.00 0.00 C ATOM 1441 CG PRO B 212 106.411 -15.130 -4.545 1.00 0.00 C ATOM 1442 CD PRO B 212 105.455 -15.045 -3.363 1.00 0.00 C ATOM 0 HA PRO B 212 107.562 -12.667 -3.258 1.00 0.00 H new ATOM 0 HB2 PRO B 212 105.975 -13.392 -5.713 1.00 0.00 H new ATOM 0 HB3 PRO B 212 107.683 -13.642 -5.407 1.00 0.00 H new ATOM 0 HG2 PRO B 212 105.967 -15.698 -5.363 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.331 -15.642 -4.264 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.417 -15.132 -3.683 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.635 -15.846 -2.646 1.00 0.00 H new ATOM 1450 N GLU B 213 106.742 -10.556 -4.338 1.00 0.00 N ATOM 1451 CA GLU B 213 106.233 -9.211 -4.619 1.00 0.00 C ATOM 1452 C GLU B 213 105.204 -9.240 -5.750 1.00 0.00 C ATOM 1453 O GLU B 213 104.192 -8.538 -5.692 1.00 0.00 O ATOM 1454 CB GLU B 213 107.395 -8.283 -4.996 1.00 0.00 C ATOM 1455 CG GLU B 213 106.899 -6.829 -5.064 1.00 0.00 C ATOM 1456 CD GLU B 213 108.041 -5.857 -5.394 1.00 0.00 C ATOM 1457 OE1 GLU B 213 109.091 -6.305 -5.836 1.00 0.00 O ATOM 1458 OE2 GLU B 213 107.844 -4.669 -5.196 1.00 0.00 O ATOM 0 H GLU B 213 107.750 -10.660 -4.455 1.00 0.00 H new ATOM 0 HA GLU B 213 105.744 -8.835 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.195 -8.370 -4.261 1.00 0.00 H new ATOM 0 HB3 GLU B 213 107.812 -8.580 -5.958 1.00 0.00 H new ATOM 0 HG2 GLU B 213 106.119 -6.745 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU B 213 106.449 -6.552 -4.110 1.00 0.00 H new ATOM 1465 N SER B 214 105.475 -10.043 -6.777 1.00 0.00 N ATOM 1466 CA SER B 214 104.567 -10.155 -7.922 1.00 0.00 C ATOM 1467 C SER B 214 103.267 -10.856 -7.537 1.00 0.00 C ATOM 1468 O SER B 214 102.186 -10.471 -7.992 1.00 0.00 O ATOM 1469 CB SER B 214 105.248 -10.938 -9.040 1.00 0.00 C ATOM 1470 OG SER B 214 105.599 -12.229 -8.558 1.00 0.00 O ATOM 0 H SER B 214 106.311 -10.624 -6.842 1.00 0.00 H new ATOM 0 HA SER B 214 104.326 -9.147 -8.260 1.00 0.00 H new ATOM 0 HB2 SER B 214 104.581 -11.026 -9.898 1.00 0.00 H new ATOM 0 HB3 SER B 214 106.138 -10.409 -9.381 1.00 0.00 H new ATOM 0 HG SER B 214 106.036 -12.738 -9.273 1.00 0.00 H new ATOM 1476 N HIS B 215 103.384 -11.884 -6.698 1.00 0.00 N ATOM 1477 CA HIS B 215 102.215 -12.653 -6.248 1.00 0.00 C ATOM 1478 C HIS B 215 101.342 -11.861 -5.270 1.00 0.00 C ATOM 1479 O HIS B 215 100.200 -12.249 -5.018 1.00 0.00 O ATOM 1480 CB HIS B 215 102.684 -13.943 -5.566 1.00 0.00 C ATOM 1481 CG HIS B 215 103.116 -14.948 -6.600 1.00 0.00 C ATOM 1482 ND1 HIS B 215 104.368 -14.913 -7.189 1.00 0.00 N ATOM 1483 CD2 HIS B 215 102.467 -16.018 -7.157 1.00 0.00 C ATOM 1484 CE1 HIS B 215 104.433 -15.933 -8.062 1.00 0.00 C ATOM 1485 NE2 HIS B 215 103.297 -16.640 -8.083 1.00 0.00 N ATOM 0 H HIS B 215 104.272 -12.206 -6.314 1.00 0.00 H new ATOM 0 HA HIS B 215 101.613 -12.878 -7.128 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.512 -13.726 -4.891 1.00 0.00 H new ATOM 0 HB3 HIS B 215 101.878 -14.357 -4.960 1.00 0.00 H new ATOM 0 HD2 HIS B 215 101.462 -16.331 -6.914 1.00 0.00 H new ATOM 0 HE1 HIS B 215 105.296 -16.155 -8.672 1.00 0.00 H new ATOM 0 HE2 HIS B 215 103.086 -17.458 -8.655 1.00 0.00 H new ATOM 1493 N ILE B 216 101.871 -10.759 -4.730 1.00 0.00 N ATOM 1494 CA ILE B 216 101.120 -9.936 -3.796 1.00 0.00 C ATOM 1495 C ILE B 216 99.909 -9.312 -4.483 1.00 0.00 C ATOM 1496 O ILE B 216 98.836 -9.246 -3.886 1.00 0.00 O ATOM 1497 CB ILE B 216 102.051 -8.843 -3.198 1.00 0.00 C ATOM 1498 CG1 ILE B 216 102.911 -9.472 -2.070 1.00 0.00 C ATOM 1499 CG2 ILE B 216 101.253 -7.641 -2.657 1.00 0.00 C ATOM 1500 CD1 ILE B 216 102.075 -9.753 -0.795 1.00 0.00 C ATOM 0 H ILE B 216 102.814 -10.423 -4.927 1.00 0.00 H new ATOM 0 HA ILE B 216 100.751 -10.562 -2.983 1.00 0.00 H new ATOM 0 HB ILE B 216 102.695 -8.467 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE B 216 103.353 -10.402 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE B 216 103.734 -8.801 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE B 216 101.942 -6.901 -2.249 1.00 0.00 H new ATOM 0 HG22 ILE B 216 100.677 -7.193 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE B 216 100.575 -7.978 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE B 216 102.715 -10.193 -0.030 1.00 0.00 H new ATOM 0 HD12 ILE B 216 101.654 -8.819 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE B 216 101.267 -10.445 -1.035 1.00 0.00 H new ATOM 1512 N ASN B 217 100.101 -8.815 -5.703 1.00 0.00 N ATOM 1513 CA ASN B 217 99.017 -8.153 -6.421 1.00 0.00 C ATOM 1514 C ASN B 217 97.802 -9.068 -6.510 1.00 0.00 C ATOM 1515 O ASN B 217 96.687 -8.665 -6.164 1.00 0.00 O ATOM 1516 CB ASN B 217 99.490 -7.774 -7.827 1.00 0.00 C ATOM 1517 CG ASN B 217 100.514 -6.637 -7.766 1.00 0.00 C ATOM 1518 OD1 ASN B 217 100.546 -5.864 -6.805 1.00 0.00 O ATOM 1519 ND2 ASN B 217 101.365 -6.489 -8.744 1.00 0.00 N ATOM 0 H ASN B 217 100.986 -8.857 -6.209 1.00 0.00 H new ATOM 0 HA ASN B 217 98.733 -7.251 -5.879 1.00 0.00 H new ATOM 0 HB2 ASN B 217 99.933 -8.643 -8.314 1.00 0.00 H new ATOM 0 HB3 ASN B 217 98.637 -7.469 -8.433 1.00 0.00 H new ATOM 0 HD21 ASN B 217 102.053 -5.737 -8.712 1.00 0.00 H new ATOM 0 HD22 ASN B 217 101.342 -7.126 -9.541 1.00 0.00 H new ATOM 1526 N LYS B 218 98.037 -10.308 -6.945 1.00 0.00 N ATOM 1527 CA LYS B 218 96.966 -11.291 -7.047 1.00 0.00 C ATOM 1528 C LYS B 218 96.477 -11.670 -5.649 1.00 0.00 C ATOM 1529 O LYS B 218 95.273 -11.765 -5.408 1.00 0.00 O ATOM 1530 CB LYS B 218 97.455 -12.545 -7.780 1.00 0.00 C ATOM 1531 CG LYS B 218 96.270 -13.484 -8.036 1.00 0.00 C ATOM 1532 CD LYS B 218 96.751 -14.720 -8.790 1.00 0.00 C ATOM 1533 CE LYS B 218 95.568 -15.659 -9.034 1.00 0.00 C ATOM 1534 NZ LYS B 218 94.594 -15.001 -9.952 1.00 0.00 N ATOM 0 H LYS B 218 98.955 -10.650 -7.230 1.00 0.00 H new ATOM 0 HA LYS B 218 96.144 -10.853 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS B 218 97.923 -12.268 -8.724 1.00 0.00 H new ATOM 0 HB3 LYS B 218 98.214 -13.054 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS B 218 95.814 -13.777 -7.090 1.00 0.00 H new ATOM 0 HG3 LYS B 218 95.503 -12.969 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS B 218 97.200 -14.428 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS B 218 97.523 -15.232 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS B 218 95.917 -16.596 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS B 218 95.084 -15.906 -8.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 93.983 -15.723 -10.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 94.009 -14.330 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 95.110 -14.491 -10.697 1.00 0.00 H new ATOM 1548 N HIS B 219 97.431 -11.897 -4.739 1.00 0.00 N ATOM 1549 CA HIS B 219 97.095 -12.277 -3.372 1.00 0.00 C ATOM 1550 C HIS B 219 96.173 -11.237 -2.728 1.00 0.00 C ATOM 1551 O HIS B 219 95.304 -11.603 -1.937 1.00 0.00 O ATOM 1552 CB HIS B 219 98.367 -12.460 -2.520 1.00 0.00 C ATOM 1553 CG HIS B 219 97.965 -12.710 -1.086 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.492 -13.937 -0.644 1.00 0.00 N ATOM 1555 CD2 HIS B 219 97.893 -11.870 -0.008 1.00 0.00 C ATOM 1556 CE1 HIS B 219 97.153 -13.796 0.652 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.381 -12.557 1.089 1.00 0.00 N ATOM 0 H HIS B 219 98.431 -11.824 -4.926 1.00 0.00 H new ATOM 0 HA HIS B 219 96.568 -13.230 -3.413 1.00 0.00 H new ATOM 0 HB2 HIS B 219 98.956 -13.296 -2.897 1.00 0.00 H new ATOM 0 HB3 HIS B 219 98.995 -11.572 -2.586 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.415 -14.790 -1.199 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.189 -10.831 -0.008 1.00 0.00 H new ATOM 0 HE1 HIS B 219 96.746 -14.589 1.262 1.00 0.00 H new ATOM 1564 N LEU B 220 96.380 -9.963 -3.045 1.00 0.00 N ATOM 1565 CA LEU B 220 95.566 -8.903 -2.461 1.00 0.00 C ATOM 1566 C LEU B 220 94.101 -9.107 -2.825 1.00 0.00 C ATOM 1567 O LEU B 220 93.218 -8.894 -1.996 1.00 0.00 O ATOM 1568 CB LEU B 220 96.037 -7.534 -2.954 1.00 0.00 C ATOM 1569 CG LEU B 220 97.300 -7.105 -2.188 1.00 0.00 C ATOM 1570 CD1 LEU B 220 97.976 -5.944 -2.928 1.00 0.00 C ATOM 1571 CD2 LEU B 220 96.917 -6.653 -0.771 1.00 0.00 C ATOM 0 H LEU B 220 97.096 -9.642 -3.696 1.00 0.00 H new ATOM 0 HA LEU B 220 95.674 -8.942 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.247 -7.576 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.248 -6.796 -2.812 1.00 0.00 H new ATOM 0 HG LEU B 220 97.988 -7.948 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU B 220 98.871 -5.639 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.252 -6.264 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.286 -5.102 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU B 220 97.814 -6.350 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.228 -5.811 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.437 -7.477 -0.243 1.00 0.00 H new ATOM 1583 N ASP B 221 93.858 -9.533 -4.062 1.00 0.00 N ATOM 1584 CA ASP B 221 92.498 -9.785 -4.532 1.00 0.00 C ATOM 1585 C ASP B 221 91.843 -10.916 -3.729 1.00 0.00 C ATOM 1586 O ASP B 221 90.638 -10.882 -3.471 1.00 0.00 O ATOM 1587 CB ASP B 221 92.529 -10.160 -6.014 1.00 0.00 C ATOM 1588 CG ASP B 221 91.115 -10.154 -6.585 1.00 0.00 C ATOM 1589 OD1 ASP B 221 90.631 -11.220 -6.927 1.00 0.00 O ATOM 1590 OD2 ASP B 221 90.537 -9.083 -6.673 1.00 0.00 O ATOM 0 H ASP B 221 94.584 -9.711 -4.756 1.00 0.00 H new ATOM 0 HA ASP B 221 91.911 -8.877 -4.393 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.154 -9.455 -6.563 1.00 0.00 H new ATOM 0 HB3 ASP B 221 92.976 -11.146 -6.138 1.00 0.00 H new ATOM 1595 N SER B 222 92.651 -11.909 -3.337 1.00 0.00 N ATOM 1596 CA SER B 222 92.154 -13.049 -2.559 1.00 0.00 C ATOM 1597 C SER B 222 91.945 -12.674 -1.090 1.00 0.00 C ATOM 1598 O SER B 222 90.916 -13.006 -0.494 1.00 0.00 O ATOM 1599 CB SER B 222 93.150 -14.207 -2.648 1.00 0.00 C ATOM 1600 OG SER B 222 93.308 -14.587 -4.009 1.00 0.00 O ATOM 0 H SER B 222 93.649 -11.946 -3.545 1.00 0.00 H new ATOM 0 HA SER B 222 91.193 -13.348 -2.977 1.00 0.00 H new ATOM 0 HB2 SER B 222 94.111 -13.909 -2.228 1.00 0.00 H new ATOM 0 HB3 SER B 222 92.794 -15.054 -2.061 1.00 0.00 H new ATOM 0 HG SER B 222 93.947 -15.328 -4.070 1.00 0.00 H new ATOM 1606 N CYS B 223 92.937 -11.986 -0.521 1.00 0.00 N ATOM 1607 CA CYS B 223 92.893 -11.560 0.878 1.00 0.00 C ATOM 1608 C CYS B 223 91.776 -10.548 1.105 1.00 0.00 C ATOM 1609 O CYS B 223 91.049 -10.620 2.098 1.00 0.00 O ATOM 1610 CB CYS B 223 94.250 -10.943 1.260 1.00 0.00 C ATOM 1611 SG CYS B 223 94.655 -11.362 2.975 1.00 0.00 S ATOM 0 H CYS B 223 93.787 -11.711 -1.013 1.00 0.00 H new ATOM 0 HA CYS B 223 92.692 -12.428 1.505 1.00 0.00 H new ATOM 0 HB2 CYS B 223 95.028 -11.312 0.592 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.214 -9.860 1.139 1.00 0.00 H new ATOM 1616 N LEU B 224 91.654 -9.610 0.172 1.00 0.00 N ATOM 1617 CA LEU B 224 90.630 -8.574 0.249 1.00 0.00 C ATOM 1618 C LEU B 224 89.233 -9.180 0.130 1.00 0.00 C ATOM 1619 O LEU B 224 88.301 -8.743 0.808 1.00 0.00 O ATOM 1620 CB LEU B 224 90.859 -7.534 -0.852 1.00 0.00 C ATOM 1621 CG LEU B 224 92.131 -6.728 -0.547 1.00 0.00 C ATOM 1622 CD1 LEU B 224 92.555 -5.949 -1.792 1.00 0.00 C ATOM 1623 CD2 LEU B 224 91.864 -5.737 0.594 1.00 0.00 C ATOM 0 H LEU B 224 92.254 -9.546 -0.650 1.00 0.00 H new ATOM 0 HA LEU B 224 90.702 -8.085 1.220 1.00 0.00 H new ATOM 0 HB2 LEU B 224 90.953 -8.029 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU B 224 90.001 -6.866 -0.918 1.00 0.00 H new ATOM 0 HG LEU B 224 92.923 -7.417 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU B 224 93.457 -5.378 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU B 224 92.754 -6.645 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU B 224 91.756 -5.268 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU B 224 92.771 -5.170 0.803 1.00 0.00 H new ATOM 0 HD22 LEU B 224 91.067 -5.052 0.302 1.00 0.00 H new ATOM 0 HD23 LEU B 224 91.563 -6.284 1.488 1.00 0.00 H new ATOM 1635 N SER B 225 89.102 -10.190 -0.735 1.00 0.00 N ATOM 1636 CA SER B 225 87.821 -10.865 -0.940 1.00 0.00 C ATOM 1637 C SER B 225 87.299 -11.446 0.376 1.00 0.00 C ATOM 1638 O SER B 225 86.086 -11.469 0.608 1.00 0.00 O ATOM 1639 CB SER B 225 87.972 -11.990 -1.964 1.00 0.00 C ATOM 1640 OG SER B 225 88.195 -11.426 -3.249 1.00 0.00 O ATOM 0 H SER B 225 89.866 -10.556 -1.302 1.00 0.00 H new ATOM 0 HA SER B 225 87.108 -10.129 -1.312 1.00 0.00 H new ATOM 0 HB2 SER B 225 88.804 -12.639 -1.689 1.00 0.00 H new ATOM 0 HB3 SER B 225 87.075 -12.609 -1.976 1.00 0.00 H new ATOM 0 HG SER B 225 89.012 -10.884 -3.231 1.00 0.00 H new ATOM 1646 N ARG B 226 88.220 -11.909 1.230 1.00 0.00 N ATOM 1647 CA ARG B 226 87.844 -12.486 2.518 1.00 0.00 C ATOM 1648 C ARG B 226 87.091 -11.450 3.348 1.00 0.00 C ATOM 1649 O ARG B 226 86.066 -11.757 3.964 1.00 0.00 O ATOM 1650 CB ARG B 226 89.097 -12.933 3.278 1.00 0.00 C ATOM 1651 CG ARG B 226 89.723 -14.137 2.571 1.00 0.00 C ATOM 1652 CD ARG B 226 90.994 -14.566 3.310 1.00 0.00 C ATOM 1653 NE ARG B 226 90.654 -15.052 4.653 1.00 0.00 N ATOM 1654 CZ ARG B 226 90.217 -16.305 4.881 1.00 0.00 C ATOM 1655 NH1 ARG B 226 90.069 -17.171 3.903 1.00 0.00 N ATOM 1656 NH2 ARG B 226 89.927 -16.668 6.100 1.00 0.00 N ATOM 0 H ARG B 226 89.224 -11.894 1.050 1.00 0.00 H new ATOM 0 HA ARG B 226 87.202 -13.349 2.344 1.00 0.00 H new ATOM 0 HB2 ARG B 226 89.815 -12.115 3.329 1.00 0.00 H new ATOM 0 HB3 ARG B 226 88.838 -13.195 4.304 1.00 0.00 H new ATOM 0 HG2 ARG B 226 89.012 -14.963 2.540 1.00 0.00 H new ATOM 0 HG3 ARG B 226 89.960 -13.882 1.538 1.00 0.00 H new ATOM 0 HD2 ARG B 226 91.504 -15.349 2.749 1.00 0.00 H new ATOM 0 HD3 ARG B 226 91.684 -13.725 3.382 1.00 0.00 H new ATOM 0 HE ARG B 226 90.753 -14.416 5.444 1.00 0.00 H new ATOM 0 HH11 ARG B 226 90.287 -16.900 2.944 1.00 0.00 H new ATOM 0 HH12 ARG B 226 89.736 -18.114 4.103 1.00 0.00 H new ATOM 0 HH21 ARG B 226 90.032 -16.005 6.868 1.00 0.00 H new ATOM 0 HH22 ARG B 226 89.595 -17.615 6.285 1.00 0.00 H new ATOM 1670 N GLU B 227 87.614 -10.224 3.355 1.00 0.00 N ATOM 1671 CA GLU B 227 86.999 -9.134 4.108 1.00 0.00 C ATOM 1672 C GLU B 227 85.563 -8.912 3.654 1.00 0.00 C ATOM 1673 O GLU B 227 84.651 -8.830 4.481 1.00 0.00 O ATOM 1674 CB GLU B 227 87.813 -7.853 3.907 1.00 0.00 C ATOM 1675 CG GLU B 227 89.196 -8.008 4.558 1.00 0.00 C ATOM 1676 CD GLU B 227 89.077 -8.183 6.076 1.00 0.00 C ATOM 1677 OE1 GLU B 227 88.146 -7.640 6.653 1.00 0.00 O ATOM 1678 OE2 GLU B 227 89.918 -8.866 6.640 1.00 0.00 O ATOM 0 H GLU B 227 88.460 -9.962 2.849 1.00 0.00 H new ATOM 0 HA GLU B 227 86.988 -9.398 5.165 1.00 0.00 H new ATOM 0 HB2 GLU B 227 87.923 -7.644 2.843 1.00 0.00 H new ATOM 0 HB3 GLU B 227 87.287 -7.005 4.345 1.00 0.00 H new ATOM 0 HG2 GLU B 227 89.708 -8.869 4.129 1.00 0.00 H new ATOM 0 HG3 GLU B 227 89.805 -7.132 4.337 1.00 0.00 H new ATOM 1685 N GLU B 228 85.368 -8.835 2.337 1.00 0.00 N ATOM 1686 CA GLU B 228 84.030 -8.642 1.776 1.00 0.00 C ATOM 1687 C GLU B 228 83.172 -9.900 1.957 1.00 0.00 C ATOM 1688 O GLU B 228 81.940 -9.820 1.967 1.00 0.00 O ATOM 1689 CB GLU B 228 84.122 -8.295 0.290 1.00 0.00 C ATOM 1690 CG GLU B 228 84.745 -6.902 0.115 1.00 0.00 C ATOM 1691 CD GLU B 228 84.914 -6.553 -1.374 1.00 0.00 C ATOM 1692 OE1 GLU B 228 84.447 -7.308 -2.219 1.00 0.00 O ATOM 1693 OE2 GLU B 228 85.514 -5.527 -1.650 1.00 0.00 O ATOM 0 H GLU B 228 86.113 -8.903 1.643 1.00 0.00 H new ATOM 0 HA GLU B 228 83.558 -7.818 2.311 1.00 0.00 H new ATOM 0 HB2 GLU B 228 84.725 -9.040 -0.230 1.00 0.00 H new ATOM 0 HB3 GLU B 228 83.129 -8.318 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU B 228 84.114 -6.155 0.597 1.00 0.00 H new ATOM 0 HG3 GLU B 228 85.715 -6.869 0.612 1.00 0.00 H new ATOM 1700 N LYS B 229 83.832 -11.054 2.105 1.00 0.00 N ATOM 1701 CA LYS B 229 83.130 -12.321 2.295 1.00 0.00 C ATOM 1702 C LYS B 229 82.367 -12.323 3.625 1.00 0.00 C ATOM 1703 O LYS B 229 81.312 -12.950 3.740 1.00 0.00 O ATOM 1704 CB LYS B 229 84.126 -13.488 2.269 1.00 0.00 C ATOM 1705 CG LYS B 229 83.362 -14.815 2.220 1.00 0.00 C ATOM 1706 CD LYS B 229 84.349 -15.973 2.077 1.00 0.00 C ATOM 1707 CE LYS B 229 83.577 -17.288 2.016 1.00 0.00 C ATOM 1708 NZ LYS B 229 84.533 -18.414 1.819 1.00 0.00 N ATOM 0 H LYS B 229 84.849 -11.133 2.096 1.00 0.00 H new ATOM 0 HA LYS B 229 82.415 -12.440 1.481 1.00 0.00 H new ATOM 0 HB2 LYS B 229 84.780 -13.401 1.402 1.00 0.00 H new ATOM 0 HB3 LYS B 229 84.763 -13.456 3.153 1.00 0.00 H new ATOM 0 HG2 LYS B 229 82.770 -14.939 3.127 1.00 0.00 H new ATOM 0 HG3 LYS B 229 82.665 -14.813 1.382 1.00 0.00 H new ATOM 0 HD2 LYS B 229 84.947 -15.847 1.175 1.00 0.00 H new ATOM 0 HD3 LYS B 229 85.041 -15.983 2.919 1.00 0.00 H new ATOM 0 HE2 LYS B 229 83.011 -17.433 2.936 1.00 0.00 H new ATOM 0 HE3 LYS B 229 82.856 -17.262 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 84.009 -19.311 1.777 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 85.054 -18.276 0.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 85.205 -18.442 2.613 1.00 0.00 H new ATOM 1722 N LYS B 230 82.914 -11.622 4.624 1.00 0.00 N ATOM 1723 CA LYS B 230 82.286 -11.549 5.941 1.00 0.00 C ATOM 1724 C LYS B 230 80.914 -10.884 5.862 1.00 0.00 C ATOM 1725 O LYS B 230 79.942 -11.384 6.432 1.00 0.00 O ATOM 1726 CB LYS B 230 83.185 -10.767 6.906 1.00 0.00 C ATOM 1727 CG LYS B 230 84.415 -11.605 7.255 1.00 0.00 C ATOM 1728 CD LYS B 230 85.295 -10.832 8.239 1.00 0.00 C ATOM 1729 CE LYS B 230 86.518 -11.674 8.599 1.00 0.00 C ATOM 1730 NZ LYS B 230 87.370 -10.925 9.564 1.00 0.00 N ATOM 0 H LYS B 230 83.787 -11.100 4.543 1.00 0.00 H new ATOM 0 HA LYS B 230 82.152 -12.566 6.309 1.00 0.00 H new ATOM 0 HB2 LYS B 230 83.491 -9.825 6.451 1.00 0.00 H new ATOM 0 HB3 LYS B 230 82.633 -10.518 7.812 1.00 0.00 H new ATOM 0 HG2 LYS B 230 84.109 -12.555 7.693 1.00 0.00 H new ATOM 0 HG3 LYS B 230 84.979 -11.837 6.351 1.00 0.00 H new ATOM 0 HD2 LYS B 230 85.609 -9.886 7.797 1.00 0.00 H new ATOM 0 HD3 LYS B 230 84.728 -10.591 9.139 1.00 0.00 H new ATOM 0 HE2 LYS B 230 86.204 -12.623 9.035 1.00 0.00 H new ATOM 0 HE3 LYS B 230 87.088 -11.909 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 88.203 -11.498 9.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 87.680 -10.031 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 86.823 -10.722 10.425 1.00 0.00 H new ATOM 1744 N GLU B 231 80.845 -9.767 5.142 1.00 0.00 N ATOM 1745 CA GLU B 231 79.580 -9.035 4.972 1.00 0.00 C ATOM 1746 C GLU B 231 78.625 -9.787 4.038 1.00 0.00 C ATOM 1747 O GLU B 231 77.405 -9.737 4.211 1.00 0.00 O ATOM 1748 CB GLU B 231 79.858 -7.641 4.403 1.00 0.00 C ATOM 1749 CG GLU B 231 80.635 -6.812 5.436 1.00 0.00 C ATOM 1750 CD GLU B 231 79.767 -6.500 6.667 1.00 0.00 C ATOM 1751 OE1 GLU B 231 80.342 -6.220 7.705 1.00 0.00 O ATOM 1752 OE2 GLU B 231 78.546 -6.528 6.557 1.00 0.00 O ATOM 0 H GLU B 231 81.643 -9.346 4.667 1.00 0.00 H new ATOM 0 HA GLU B 231 79.107 -8.947 5.950 1.00 0.00 H new ATOM 0 HB2 GLU B 231 80.432 -7.721 3.480 1.00 0.00 H new ATOM 0 HB3 GLU B 231 78.920 -7.145 4.154 1.00 0.00 H new ATOM 0 HG2 GLU B 231 81.527 -7.356 5.746 1.00 0.00 H new ATOM 0 HG3 GLU B 231 80.972 -5.881 4.980 1.00 0.00 H new ATOM 1759 N SER B 232 79.203 -10.470 3.047 1.00 0.00 N ATOM 1760 CA SER B 232 78.427 -11.222 2.073 1.00 0.00 C ATOM 1761 C SER B 232 78.093 -12.608 2.605 1.00 0.00 C ATOM 1762 O SER B 232 78.980 -13.377 2.977 1.00 0.00 O ATOM 1763 CB SER B 232 79.213 -11.343 0.767 1.00 0.00 C ATOM 1764 OG SER B 232 78.354 -11.823 -0.258 1.00 0.00 O ATOM 0 H SER B 232 80.212 -10.514 2.902 1.00 0.00 H new ATOM 0 HA SER B 232 77.494 -10.689 1.887 1.00 0.00 H new ATOM 0 HB2 SER B 232 79.625 -10.374 0.487 1.00 0.00 H new ATOM 0 HB3 SER B 232 80.055 -12.022 0.898 1.00 0.00 H new ATOM 0 HG SER B 232 78.856 -11.899 -1.096 1.00 0.00 H new ATOM 1770 N LEU B 233 76.800 -12.915 2.626 1.00 0.00 N ATOM 1771 CA LEU B 233 76.322 -14.216 3.099 1.00 0.00 C ATOM 1772 C LEU B 233 75.189 -14.713 2.212 1.00 0.00 C ATOM 1773 O LEU B 233 74.223 -13.987 1.967 1.00 0.00 O ATOM 1774 CB LEU B 233 75.827 -14.103 4.545 1.00 0.00 C ATOM 1775 CG LEU B 233 75.595 -15.499 5.139 1.00 0.00 C ATOM 1776 CD1 LEU B 233 76.940 -16.150 5.478 1.00 0.00 C ATOM 1777 CD2 LEU B 233 74.756 -15.382 6.416 1.00 0.00 C ATOM 0 H LEU B 233 76.061 -12.282 2.321 1.00 0.00 H new ATOM 0 HA LEU B 233 77.149 -14.925 3.057 1.00 0.00 H new ATOM 0 HB2 LEU B 233 76.558 -13.562 5.146 1.00 0.00 H new ATOM 0 HB3 LEU B 233 74.901 -13.529 4.576 1.00 0.00 H new ATOM 0 HG LEU B 233 75.068 -16.113 4.409 1.00 0.00 H new ATOM 0 HD11 LEU B 233 76.769 -17.141 5.899 1.00 0.00 H new ATOM 0 HD12 LEU B 233 77.539 -16.240 4.572 1.00 0.00 H new ATOM 0 HD13 LEU B 233 77.470 -15.534 6.204 1.00 0.00 H new ATOM 0 HD21 LEU B 233 74.592 -16.374 6.836 1.00 0.00 H new ATOM 0 HD22 LEU B 233 75.283 -14.763 7.142 1.00 0.00 H new ATOM 0 HD23 LEU B 233 73.795 -14.925 6.179 1.00 0.00 H new ATOM 1789 N ARG B 234 75.321 -15.949 1.731 1.00 0.00 N ATOM 1790 CA ARG B 234 74.308 -16.539 0.859 1.00 0.00 C ATOM 1791 C ARG B 234 73.509 -17.600 1.606 1.00 0.00 C ATOM 1792 O ARG B 234 74.081 -18.452 2.292 1.00 0.00 O ATOM 1793 CB ARG B 234 74.980 -17.168 -0.364 1.00 0.00 C ATOM 1794 CG ARG B 234 75.613 -16.069 -1.219 1.00 0.00 C ATOM 1795 CD ARG B 234 76.349 -16.700 -2.402 1.00 0.00 C ATOM 1796 NE ARG B 234 76.965 -15.658 -3.235 1.00 0.00 N ATOM 1797 CZ ARG B 234 77.422 -15.892 -4.482 1.00 0.00 C ATOM 1798 NH1 ARG B 234 77.344 -17.084 -5.029 1.00 0.00 N ATOM 1799 NH2 ARG B 234 77.954 -14.913 -5.160 1.00 0.00 N ATOM 0 H ARG B 234 76.115 -16.558 1.929 1.00 0.00 H new ATOM 0 HA ARG B 234 73.627 -15.751 0.536 1.00 0.00 H new ATOM 0 HB2 ARG B 234 75.741 -17.881 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG B 234 74.247 -17.723 -0.950 1.00 0.00 H new ATOM 0 HG2 ARG B 234 74.844 -15.386 -1.579 1.00 0.00 H new ATOM 0 HG3 ARG B 234 76.306 -15.481 -0.618 1.00 0.00 H new ATOM 0 HD2 ARG B 234 77.115 -17.385 -2.039 1.00 0.00 H new ATOM 0 HD3 ARG B 234 75.653 -17.289 -3.000 1.00 0.00 H new ATOM 0 HE ARG B 234 77.051 -14.716 -2.853 1.00 0.00 H new ATOM 0 HH11 ARG B 234 76.931 -17.858 -4.509 1.00 0.00 H new ATOM 0 HH12 ARG B 234 77.697 -17.236 -5.974 1.00 0.00 H new ATOM 0 HH21 ARG B 234 78.021 -13.983 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG B 234 78.303 -15.077 -6.104 1.00 0.00 H new ATOM 1813 N SER B 235 72.187 -17.542 1.456 1.00 0.00 N ATOM 1814 CA SER B 235 71.300 -18.501 2.106 1.00 0.00 C ATOM 1815 C SER B 235 71.308 -19.819 1.342 1.00 0.00 C ATOM 1816 O SER B 235 71.801 -19.885 0.213 1.00 0.00 O ATOM 1817 CB SER B 235 69.878 -17.945 2.159 1.00 0.00 C ATOM 1818 OG SER B 235 69.355 -17.865 0.840 1.00 0.00 O ATOM 0 H SER B 235 71.708 -16.841 0.890 1.00 0.00 H new ATOM 0 HA SER B 235 71.654 -18.675 3.122 1.00 0.00 H new ATOM 0 HB2 SER B 235 69.247 -18.587 2.774 1.00 0.00 H new ATOM 0 HB3 SER B 235 69.878 -16.959 2.623 1.00 0.00 H new ATOM 0 HG SER B 235 68.442 -17.510 0.871 1.00 0.00 H new ATOM 1824 N SER B 236 70.760 -20.860 1.967 1.00 0.00 N ATOM 1825 CA SER B 236 70.701 -22.180 1.348 1.00 0.00 C ATOM 1826 C SER B 236 69.315 -22.788 1.522 1.00 0.00 C ATOM 1827 O SER B 236 68.652 -22.557 2.538 1.00 0.00 O ATOM 1828 CB SER B 236 71.749 -23.100 1.976 1.00 0.00 C ATOM 1829 OG SER B 236 71.647 -24.394 1.396 1.00 0.00 O ATOM 0 H SER B 236 70.351 -20.813 2.900 1.00 0.00 H new ATOM 0 HA SER B 236 70.908 -22.072 0.283 1.00 0.00 H new ATOM 0 HB2 SER B 236 72.748 -22.695 1.816 1.00 0.00 H new ATOM 0 HB3 SER B 236 71.598 -23.159 3.054 1.00 0.00 H new ATOM 0 HG SER B 236 72.319 -24.985 1.795 1.00 0.00 H new ATOM 1835 N VAL B 237 68.887 -23.561 0.523 1.00 0.00 N ATOM 1836 CA VAL B 237 67.574 -24.203 0.563 1.00 0.00 C ATOM 1837 C VAL B 237 67.517 -25.179 1.741 1.00 0.00 C ATOM 1838 O VAL B 237 66.531 -25.213 2.482 1.00 0.00 O ATOM 1839 CB VAL B 237 67.309 -24.950 -0.764 1.00 0.00 C ATOM 1840 CG1 VAL B 237 65.936 -25.640 -0.726 1.00 0.00 C ATOM 1841 CG2 VAL B 237 67.331 -23.957 -1.932 1.00 0.00 C ATOM 0 H VAL B 237 69.428 -23.757 -0.319 1.00 0.00 H new ATOM 0 HA VAL B 237 66.805 -23.442 0.693 1.00 0.00 H new ATOM 0 HB VAL B 237 68.088 -25.701 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL B 237 65.765 -26.161 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL B 237 65.911 -26.356 0.095 1.00 0.00 H new ATOM 0 HG13 VAL B 237 65.157 -24.892 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL B 237 67.144 -24.489 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL B 237 66.559 -23.203 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL B 237 68.306 -23.473 -1.980 1.00 0.00 H new ATOM 1851 N HIS B 238 68.582 -25.970 1.895 1.00 0.00 N ATOM 1852 CA HIS B 238 68.654 -26.951 2.972 1.00 0.00 C ATOM 1853 C HIS B 238 68.528 -26.259 4.328 1.00 0.00 C ATOM 1854 O HIS B 238 67.804 -26.731 5.208 1.00 0.00 O ATOM 1855 CB HIS B 238 69.986 -27.707 2.895 1.00 0.00 C ATOM 1856 CG HIS B 238 69.965 -28.874 3.844 1.00 0.00 C ATOM 1857 ND1 HIS B 238 70.439 -28.780 5.144 1.00 0.00 N ATOM 1858 CD2 HIS B 238 69.519 -30.165 3.703 1.00 0.00 C ATOM 1859 CE1 HIS B 238 70.268 -29.981 5.727 1.00 0.00 C ATOM 1860 NE2 HIS B 238 69.711 -30.860 4.892 1.00 0.00 N ATOM 0 H HIS B 238 69.402 -25.948 1.288 1.00 0.00 H new ATOM 0 HA HIS B 238 67.831 -27.657 2.861 1.00 0.00 H new ATOM 0 HB2 HIS B 238 70.158 -28.057 1.877 1.00 0.00 H new ATOM 0 HB3 HIS B 238 70.809 -27.038 3.145 1.00 0.00 H new ATOM 0 HD2 HIS B 238 69.085 -30.578 2.805 1.00 0.00 H new ATOM 0 HE1 HIS B 238 70.547 -30.206 6.746 1.00 0.00 H new ATOM 0 HE2 HIS B 238 69.476 -31.834 5.085 1.00 0.00 H new ATOM 1868 N LYS B 239 69.238 -25.141 4.480 1.00 0.00 N ATOM 1869 CA LYS B 239 69.211 -24.381 5.727 1.00 0.00 C ATOM 1870 C LYS B 239 67.942 -23.546 5.807 1.00 0.00 C ATOM 1871 O LYS B 239 67.414 -23.116 4.779 1.00 0.00 O ATOM 1872 CB LYS B 239 70.431 -23.462 5.808 1.00 0.00 C ATOM 1873 CG LYS B 239 71.701 -24.309 5.890 1.00 0.00 C ATOM 1874 CD LYS B 239 72.927 -23.395 5.928 1.00 0.00 C ATOM 1875 CE LYS B 239 74.193 -24.246 6.040 1.00 0.00 C ATOM 1876 NZ LYS B 239 75.389 -23.359 6.049 1.00 0.00 N ATOM 0 H LYS B 239 69.837 -24.743 3.756 1.00 0.00 H new ATOM 0 HA LYS B 239 69.231 -25.083 6.561 1.00 0.00 H new ATOM 0 HB2 LYS B 239 70.470 -22.813 4.933 1.00 0.00 H new ATOM 0 HB3 LYS B 239 70.355 -22.815 6.682 1.00 0.00 H new ATOM 0 HG2 LYS B 239 71.675 -24.936 6.781 1.00 0.00 H new ATOM 0 HG3 LYS B 239 71.760 -24.978 5.031 1.00 0.00 H new ATOM 0 HD2 LYS B 239 72.966 -22.783 5.027 1.00 0.00 H new ATOM 0 HD3 LYS B 239 72.859 -22.712 6.775 1.00 0.00 H new ATOM 0 HE2 LYS B 239 74.163 -24.843 6.951 1.00 0.00 H new ATOM 0 HE3 LYS B 239 74.250 -24.943 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 76.250 -23.938 6.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 75.419 -22.808 5.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 75.335 -22.711 6.861 1.00 0.00 H new ATOM 1890 N ARG B 240 67.458 -23.319 7.035 1.00 0.00 N ATOM 1891 CA ARG B 240 66.244 -22.527 7.260 1.00 0.00 C ATOM 1892 C ARG B 240 65.040 -23.205 6.598 1.00 0.00 C ATOM 1893 O ARG B 240 65.250 -24.007 5.705 1.00 0.00 O ATOM 1894 CB ARG B 240 66.432 -21.105 6.698 1.00 0.00 C ATOM 1895 CG ARG B 240 65.226 -20.228 7.043 1.00 0.00 C ATOM 1896 CD ARG B 240 65.428 -18.839 6.440 1.00 0.00 C ATOM 1897 NE ARG B 240 66.549 -18.160 7.099 1.00 0.00 N ATOM 1898 CZ ARG B 240 66.964 -16.927 6.742 1.00 0.00 C ATOM 1899 NH1 ARG B 240 66.383 -16.261 5.770 1.00 0.00 N ATOM 1900 NH2 ARG B 240 67.966 -16.385 7.377 1.00 0.00 N ATOM 1901 OXT ARG B 240 63.925 -22.909 7.000 1.00 0.00 O ATOM 0 H ARG B 240 67.890 -23.674 7.888 1.00 0.00 H new ATOM 0 HA ARG B 240 66.059 -22.460 8.332 1.00 0.00 H new ATOM 0 HB2 ARG B 240 67.340 -20.663 7.108 1.00 0.00 H new ATOM 0 HB3 ARG B 240 66.559 -21.149 5.616 1.00 0.00 H new ATOM 0 HG2 ARG B 240 64.312 -20.677 6.655 1.00 0.00 H new ATOM 0 HG3 ARG B 240 65.111 -20.155 8.125 1.00 0.00 H new ATOM 0 HD2 ARG B 240 65.622 -18.923 5.371 1.00 0.00 H new ATOM 0 HD3 ARG B 240 64.518 -18.249 6.553 1.00 0.00 H new ATOM 0 HE ARG B 240 67.034 -18.639 7.858 1.00 0.00 H new ATOM 0 HH11 ARG B 240 65.599 -16.675 5.266 1.00 0.00 H new ATOM 0 HH12 ARG B 240 66.716 -15.330 5.520 1.00 0.00 H new ATOM 0 HH21 ARG B 240 68.425 -16.893 8.133 1.00 0.00 H new ATOM 0 HH22 ARG B 240 68.290 -15.453 7.118 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 96.934 -11.803 2.878 1.00 0.00 ZN