USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 219 HIS HE2 : B 219 HIS NE2 : B 300 ZNZN :(H bumps) USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= -1.13 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.878 K(o=-2,f=-2.6!) USER MOD Set 2.1: A 7 THR OG1 : rot 116:sc= 1.02 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.24 (180deg=1.23) USER MOD Single : A 2 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 0.0065 (180deg=0.00639) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -81:sc= 1.84 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.0295 (180deg=0.00422) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= -0.63 (180deg=-0.922) USER MOD Single : A 31 GLN : amide:sc= -1.75 X(o=-1.7,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0153 (180deg=-0.274) USER MOD Single : A 40 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= -1.87 K(o=-1.9,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.3 K(o=-1.3,f=-5.7!) USER MOD Single : A 55 THR OG1 : rot -66:sc= 0.0911 USER MOD Single : A 57 SER OG : rot 78:sc= -0.609 USER MOD Single : A 59 TYR OH : rot -53:sc= 1.28 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 62 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 102:sc= 0.898 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.15) USER MOD Single : B 198 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : B 200 THR OG1 : rot 180:sc= 0 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 214 SER OG : rot -164:sc= 0.0175 USER MOD Single : B 215 HIS : no HD1:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 217 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.2!) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot -25:sc= 0.304 USER MOD Single : B 225 SER OG : rot 110:sc= 1.21 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=-0.23) USER MOD Single : B 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.849 16.498 10.344 1.00 0.00 N ATOM 2 CA MET A 1 96.996 15.161 10.996 1.00 0.00 C ATOM 3 C MET A 1 98.264 14.496 10.485 1.00 0.00 C ATOM 4 O MET A 1 98.386 14.217 9.291 1.00 0.00 O ATOM 5 CB MET A 1 95.781 14.279 10.668 1.00 0.00 C ATOM 6 CG MET A 1 95.867 12.941 11.431 1.00 0.00 C ATOM 7 SD MET A 1 94.206 12.243 11.627 1.00 0.00 S ATOM 8 CE MET A 1 94.193 11.271 10.103 1.00 0.00 C ATOM 0 H1 MET A 1 95.992 16.966 10.702 1.00 0.00 H new ATOM 0 H2 MET A 1 97.680 17.084 10.562 1.00 0.00 H new ATOM 0 H3 MET A 1 96.772 16.375 9.314 1.00 0.00 H new ATOM 0 HA MET A 1 97.056 15.289 12.077 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.862 14.800 10.937 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.739 14.091 9.595 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.504 12.242 10.889 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.324 13.097 12.408 1.00 0.00 H new ATOM 0 HE1 MET A 1 93.242 10.745 10.015 1.00 0.00 H new ATOM 0 HE2 MET A 1 94.321 11.934 9.247 1.00 0.00 H new ATOM 0 HE3 MET A 1 95.008 10.547 10.126 1.00 0.00 H new ATOM 20 N GLN A 2 99.183 14.239 11.403 1.00 0.00 N ATOM 21 CA GLN A 2 100.441 13.593 11.057 1.00 0.00 C ATOM 22 C GLN A 2 100.276 12.093 11.171 1.00 0.00 C ATOM 23 O GLN A 2 99.988 11.572 12.250 1.00 0.00 O ATOM 24 CB GLN A 2 101.568 14.059 11.982 1.00 0.00 C ATOM 25 CG GLN A 2 102.905 13.455 11.533 1.00 0.00 C ATOM 26 CD GLN A 2 104.032 13.924 12.449 1.00 0.00 C ATOM 27 OE1 GLN A 2 104.029 15.066 12.911 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.996 13.099 12.750 1.00 0.00 N ATOM 0 H GLN A 2 99.082 14.467 12.392 1.00 0.00 H new ATOM 0 HA GLN A 2 100.705 13.864 10.035 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.630 15.147 11.972 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.353 13.762 13.008 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.844 12.367 11.548 1.00 0.00 H new ATOM 0 HG3 GLN A 2 103.117 13.748 10.505 1.00 0.00 H new ATOM 0 HE21 GLN A 2 104.997 12.154 12.367 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.749 13.399 13.369 1.00 0.00 H new ATOM 37 N ILE A 3 100.465 11.418 10.049 1.00 0.00 N ATOM 38 CA ILE A 3 100.351 9.970 9.995 1.00 0.00 C ATOM 39 C ILE A 3 101.655 9.388 9.479 1.00 0.00 C ATOM 40 O ILE A 3 102.468 10.102 8.884 1.00 0.00 O ATOM 41 CB ILE A 3 99.177 9.550 9.089 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.366 10.127 7.670 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.862 10.063 9.696 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.368 9.484 6.699 1.00 0.00 C ATOM 0 H ILE A 3 100.700 11.854 9.157 1.00 0.00 H new ATOM 0 HA ILE A 3 100.154 9.587 10.996 1.00 0.00 H new ATOM 0 HB ILE A 3 99.146 8.463 9.019 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.223 11.207 7.687 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.385 9.945 7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 3 97.028 9.769 9.059 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.728 9.635 10.689 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.895 11.150 9.771 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.512 9.899 5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.531 8.407 6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.351 9.688 7.034 1.00 0.00 H new ATOM 56 N PHE A 4 101.854 8.100 9.723 1.00 0.00 N ATOM 57 CA PHE A 4 103.073 7.427 9.289 1.00 0.00 C ATOM 58 C PHE A 4 102.722 6.323 8.303 1.00 0.00 C ATOM 59 O PHE A 4 101.709 5.639 8.464 1.00 0.00 O ATOM 60 CB PHE A 4 103.802 6.813 10.494 1.00 0.00 C ATOM 61 CG PHE A 4 104.152 7.891 11.497 1.00 0.00 C ATOM 62 CD1 PHE A 4 105.323 8.637 11.343 1.00 0.00 C ATOM 63 CD2 PHE A 4 103.298 8.141 12.579 1.00 0.00 C ATOM 64 CE1 PHE A 4 105.643 9.637 12.268 1.00 0.00 C ATOM 65 CE2 PHE A 4 103.618 9.140 13.507 1.00 0.00 C ATOM 66 CZ PHE A 4 104.791 9.887 13.350 1.00 0.00 C ATOM 0 H PHE A 4 101.191 7.502 10.217 1.00 0.00 H new ATOM 0 HA PHE A 4 103.725 8.158 8.811 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.171 6.059 10.965 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.708 6.307 10.161 1.00 0.00 H new ATOM 0 HD1 PHE A 4 105.982 8.442 10.510 1.00 0.00 H new ATOM 0 HD2 PHE A 4 102.393 7.564 12.698 1.00 0.00 H new ATOM 0 HE1 PHE A 4 106.547 10.216 12.147 1.00 0.00 H new ATOM 0 HE2 PHE A 4 102.961 9.333 14.342 1.00 0.00 H new ATOM 0 HZ PHE A 4 105.039 10.658 14.065 1.00 0.00 H new ATOM 76 N VAL A 5 103.569 6.151 7.292 1.00 0.00 N ATOM 77 CA VAL A 5 103.355 5.112 6.287 1.00 0.00 C ATOM 78 C VAL A 5 104.592 4.220 6.261 1.00 0.00 C ATOM 79 O VAL A 5 105.724 4.714 6.287 1.00 0.00 O ATOM 80 CB VAL A 5 103.071 5.727 4.904 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.793 4.617 3.880 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.848 6.651 4.988 1.00 0.00 C ATOM 0 H VAL A 5 104.407 6.714 7.146 1.00 0.00 H new ATOM 0 HA VAL A 5 102.479 4.517 6.545 1.00 0.00 H new ATOM 0 HB VAL A 5 103.944 6.299 4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.593 5.063 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.661 3.962 3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.927 4.037 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.651 7.084 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.980 6.077 5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 5 102.044 7.449 5.704 1.00 0.00 H new ATOM 92 N LYS A 6 104.364 2.908 6.230 1.00 0.00 N ATOM 93 CA LYS A 6 105.458 1.943 6.224 1.00 0.00 C ATOM 94 C LYS A 6 105.331 0.993 5.045 1.00 0.00 C ATOM 95 O LYS A 6 104.333 0.279 4.912 1.00 0.00 O ATOM 96 CB LYS A 6 105.449 1.144 7.531 1.00 0.00 C ATOM 97 CG LYS A 6 106.716 0.291 7.618 1.00 0.00 C ATOM 98 CD LYS A 6 106.740 -0.457 8.948 1.00 0.00 C ATOM 99 CE LYS A 6 108.014 -1.295 9.029 1.00 0.00 C ATOM 100 NZ LYS A 6 108.040 -2.030 10.324 1.00 0.00 N ATOM 0 H LYS A 6 103.433 2.491 6.209 1.00 0.00 H new ATOM 0 HA LYS A 6 106.398 2.487 6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.395 1.822 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.566 0.507 7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.747 -0.418 6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.599 0.924 7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.702 0.250 9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.863 -1.098 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 6 108.053 -1.999 8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 6 108.891 -0.653 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 108.907 -2.602 10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 108.021 -1.349 11.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 107.210 -2.653 10.386 1.00 0.00 H new ATOM 114 N THR A 7 106.350 1.006 4.194 1.00 0.00 N ATOM 115 CA THR A 7 106.362 0.158 3.010 1.00 0.00 C ATOM 116 C THR A 7 106.757 -1.262 3.394 1.00 0.00 C ATOM 117 O THR A 7 107.276 -1.497 4.488 1.00 0.00 O ATOM 118 CB THR A 7 107.361 0.703 1.978 1.00 0.00 C ATOM 119 OG1 THR A 7 108.664 0.702 2.544 1.00 0.00 O ATOM 120 CG2 THR A 7 106.983 2.132 1.572 1.00 0.00 C ATOM 0 H THR A 7 107.177 1.593 4.302 1.00 0.00 H new ATOM 0 HA THR A 7 105.363 0.153 2.574 1.00 0.00 H new ATOM 0 HB THR A 7 107.339 0.068 1.092 1.00 0.00 H new ATOM 0 HG1 THR A 7 109.238 0.087 2.042 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.700 2.504 0.840 1.00 0.00 H new ATOM 0 HG22 THR A 7 105.985 2.134 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 7 106.995 2.775 2.452 1.00 0.00 H new ATOM 128 N LEU A 8 106.491 -2.200 2.488 1.00 0.00 N ATOM 129 CA LEU A 8 106.804 -3.608 2.724 1.00 0.00 C ATOM 130 C LEU A 8 108.311 -3.835 2.829 1.00 0.00 C ATOM 131 O LEU A 8 108.756 -4.828 3.412 1.00 0.00 O ATOM 132 CB LEU A 8 106.248 -4.458 1.578 1.00 0.00 C ATOM 133 CG LEU A 8 104.716 -4.371 1.553 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.196 -4.940 0.231 1.00 0.00 C ATOM 135 CD2 LEU A 8 104.132 -5.175 2.718 1.00 0.00 C ATOM 0 H LEU A 8 106.059 -2.011 1.583 1.00 0.00 H new ATOM 0 HA LEU A 8 106.344 -3.900 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.655 -4.113 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.559 -5.495 1.700 1.00 0.00 H new ATOM 0 HG LEU A 8 104.413 -3.328 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 8 103.108 -4.879 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.607 -4.365 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.503 -5.982 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 8 103.044 -5.110 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.435 -6.218 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.500 -4.770 3.660 1.00 0.00 H new ATOM 147 N THR A 9 109.087 -2.909 2.263 1.00 0.00 N ATOM 148 CA THR A 9 110.544 -3.000 2.289 1.00 0.00 C ATOM 149 C THR A 9 111.105 -2.630 3.670 1.00 0.00 C ATOM 150 O THR A 9 112.246 -2.977 3.986 1.00 0.00 O ATOM 151 CB THR A 9 111.131 -2.078 1.215 1.00 0.00 C ATOM 152 OG1 THR A 9 110.642 -0.758 1.411 1.00 0.00 O ATOM 153 CG2 THR A 9 110.718 -2.577 -0.177 1.00 0.00 C ATOM 0 H THR A 9 108.727 -2.086 1.780 1.00 0.00 H new ATOM 0 HA THR A 9 110.829 -4.032 2.083 1.00 0.00 H new ATOM 0 HB THR A 9 112.218 -2.080 1.289 1.00 0.00 H new ATOM 0 HG1 THR A 9 111.017 -0.165 0.726 1.00 0.00 H new ATOM 0 HG21 THR A 9 111.137 -1.919 -0.938 1.00 0.00 H new ATOM 0 HG22 THR A 9 111.092 -3.590 -0.326 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.631 -2.577 -0.256 1.00 0.00 H new ATOM 161 N GLY A 10 110.299 -1.935 4.484 1.00 0.00 N ATOM 162 CA GLY A 10 110.722 -1.532 5.827 1.00 0.00 C ATOM 163 C GLY A 10 110.937 -0.019 5.941 1.00 0.00 C ATOM 164 O GLY A 10 111.122 0.493 7.049 1.00 0.00 O ATOM 0 H GLY A 10 109.354 -1.642 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.970 -1.845 6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.647 -2.048 6.084 1.00 0.00 H new ATOM 168 N LYS A 11 110.910 0.688 4.806 1.00 0.00 N ATOM 169 CA LYS A 11 111.100 2.137 4.811 1.00 0.00 C ATOM 170 C LYS A 11 109.955 2.806 5.564 1.00 0.00 C ATOM 171 O LYS A 11 108.839 2.279 5.610 1.00 0.00 O ATOM 172 CB LYS A 11 111.161 2.672 3.377 1.00 0.00 C ATOM 173 CG LYS A 11 111.596 4.142 3.396 1.00 0.00 C ATOM 174 CD LYS A 11 111.706 4.656 1.966 1.00 0.00 C ATOM 175 CE LYS A 11 112.153 6.119 1.980 1.00 0.00 C ATOM 176 NZ LYS A 11 112.327 6.597 0.580 1.00 0.00 N ATOM 0 H LYS A 11 110.760 0.283 3.882 1.00 0.00 H new ATOM 0 HA LYS A 11 112.042 2.365 5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.863 2.082 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 11 110.185 2.577 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.875 4.739 3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.555 4.242 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.420 4.052 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.745 4.564 1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.414 6.732 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 11 113.089 6.219 2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 112.647 7.586 0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 113.035 6.008 0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 111.420 6.531 0.075 1.00 0.00 H new ATOM 190 N THR A 12 110.248 3.964 6.156 1.00 0.00 N ATOM 191 CA THR A 12 109.245 4.710 6.915 1.00 0.00 C ATOM 192 C THR A 12 109.206 6.169 6.467 1.00 0.00 C ATOM 193 O THR A 12 110.238 6.842 6.405 1.00 0.00 O ATOM 194 CB THR A 12 109.553 4.640 8.413 1.00 0.00 C ATOM 195 OG1 THR A 12 109.765 3.287 8.786 1.00 0.00 O ATOM 196 CG2 THR A 12 108.369 5.201 9.207 1.00 0.00 C ATOM 0 H THR A 12 111.168 4.404 6.125 1.00 0.00 H new ATOM 0 HA THR A 12 108.271 4.258 6.727 1.00 0.00 H new ATOM 0 HB THR A 12 110.447 5.226 8.627 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.964 3.239 9.744 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.589 5.151 10.273 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.198 6.239 8.920 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.476 4.613 8.993 1.00 0.00 H new ATOM 204 N ILE A 13 107.999 6.641 6.167 1.00 0.00 N ATOM 205 CA ILE A 13 107.785 8.019 5.730 1.00 0.00 C ATOM 206 C ILE A 13 106.635 8.640 6.522 1.00 0.00 C ATOM 207 O ILE A 13 105.554 8.052 6.622 1.00 0.00 O ATOM 208 CB ILE A 13 107.468 8.050 4.216 1.00 0.00 C ATOM 209 CG1 ILE A 13 107.215 9.506 3.750 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.234 7.178 3.919 1.00 0.00 C ATOM 211 CD1 ILE A 13 107.033 9.561 2.226 1.00 0.00 C ATOM 0 H ILE A 13 107.146 6.084 6.219 1.00 0.00 H new ATOM 0 HA ILE A 13 108.692 8.597 5.910 1.00 0.00 H new ATOM 0 HB ILE A 13 108.323 7.652 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.327 9.902 4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 13 108.052 10.139 4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 13 106.018 7.205 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.433 6.150 4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.377 7.560 4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.856 10.591 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.933 9.185 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 13 106.181 8.945 1.939 1.00 0.00 H new ATOM 223 N THR A 14 106.869 9.842 7.042 1.00 0.00 N ATOM 224 CA THR A 14 105.834 10.555 7.782 1.00 0.00 C ATOM 225 C THR A 14 105.124 11.489 6.823 1.00 0.00 C ATOM 226 O THR A 14 105.764 12.281 6.126 1.00 0.00 O ATOM 227 CB THR A 14 106.424 11.354 8.943 1.00 0.00 C ATOM 228 OG1 THR A 14 107.213 10.498 9.760 1.00 0.00 O ATOM 229 CG2 THR A 14 105.287 11.955 9.781 1.00 0.00 C ATOM 0 H THR A 14 107.757 10.338 6.966 1.00 0.00 H new ATOM 0 HA THR A 14 105.137 9.832 8.205 1.00 0.00 H new ATOM 0 HB THR A 14 107.049 12.155 8.549 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.631 10.003 10.373 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.708 12.525 10.609 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.684 12.614 9.156 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.661 11.153 10.173 1.00 0.00 H new ATOM 237 N LEU A 15 103.806 11.342 6.756 1.00 0.00 N ATOM 238 CA LEU A 15 102.995 12.128 5.834 1.00 0.00 C ATOM 239 C LEU A 15 101.974 12.969 6.581 1.00 0.00 C ATOM 240 O LEU A 15 101.300 12.482 7.495 1.00 0.00 O ATOM 241 CB LEU A 15 102.292 11.168 4.870 1.00 0.00 C ATOM 242 CG LEU A 15 101.595 11.936 3.745 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.630 12.573 2.805 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.722 10.961 2.956 1.00 0.00 C ATOM 0 H LEU A 15 103.276 10.686 7.329 1.00 0.00 H new ATOM 0 HA LEU A 15 103.638 12.813 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 15 103.019 10.475 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.561 10.570 5.415 1.00 0.00 H new ATOM 0 HG LEU A 15 100.984 12.730 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 15 102.116 13.115 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.257 13.264 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.253 11.793 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.218 11.494 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.346 10.173 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.978 10.520 3.619 1.00 0.00 H new ATOM 256 N GLU A 16 101.864 14.228 6.167 1.00 0.00 N ATOM 257 CA GLU A 16 100.928 15.153 6.782 1.00 0.00 C ATOM 258 C GLU A 16 99.674 15.275 5.935 1.00 0.00 C ATOM 259 O GLU A 16 99.738 15.723 4.788 1.00 0.00 O ATOM 260 CB GLU A 16 101.574 16.536 6.927 1.00 0.00 C ATOM 261 CG GLU A 16 102.719 16.467 7.949 1.00 0.00 C ATOM 262 CD GLU A 16 103.444 17.818 8.077 1.00 0.00 C ATOM 263 OE1 GLU A 16 102.992 18.796 7.496 1.00 0.00 O ATOM 264 OE2 GLU A 16 104.455 17.850 8.761 1.00 0.00 O ATOM 0 H GLU A 16 102.414 14.628 5.407 1.00 0.00 H new ATOM 0 HA GLU A 16 100.662 14.769 7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 16 101.954 16.874 5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 16 100.829 17.264 7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 16 102.323 16.172 8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 16 103.431 15.698 7.648 1.00 0.00 H new ATOM 271 N VAL A 17 98.544 14.869 6.503 1.00 0.00 N ATOM 272 CA VAL A 17 97.270 14.931 5.792 1.00 0.00 C ATOM 273 C VAL A 17 96.139 15.233 6.767 1.00 0.00 C ATOM 274 O VAL A 17 96.389 15.503 7.942 1.00 0.00 O ATOM 275 CB VAL A 17 97.000 13.608 5.054 1.00 0.00 C ATOM 276 CG1 VAL A 17 98.077 13.391 3.993 1.00 0.00 C ATOM 277 CG2 VAL A 17 97.007 12.433 6.046 1.00 0.00 C ATOM 0 H VAL A 17 98.483 14.495 7.450 1.00 0.00 H new ATOM 0 HA VAL A 17 97.322 15.732 5.055 1.00 0.00 H new ATOM 0 HB VAL A 17 96.021 13.659 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.888 12.454 3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 17 98.057 14.216 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 17 99.055 13.348 4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.815 11.503 5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.979 12.375 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 17 96.232 12.586 6.797 1.00 0.00 H new ATOM 287 N GLU A 18 94.898 15.177 6.277 1.00 0.00 N ATOM 288 CA GLU A 18 93.741 15.430 7.125 1.00 0.00 C ATOM 289 C GLU A 18 92.734 14.275 7.024 1.00 0.00 C ATOM 290 O GLU A 18 92.592 13.688 5.950 1.00 0.00 O ATOM 291 CB GLU A 18 93.059 16.744 6.734 1.00 0.00 C ATOM 292 CG GLU A 18 93.975 17.919 7.080 1.00 0.00 C ATOM 293 CD GLU A 18 95.084 18.036 6.043 1.00 0.00 C ATOM 294 OE1 GLU A 18 94.770 18.032 4.863 1.00 0.00 O ATOM 295 OE2 GLU A 18 96.235 18.125 6.442 1.00 0.00 O ATOM 0 H GLU A 18 94.674 14.960 5.306 1.00 0.00 H new ATOM 0 HA GLU A 18 94.091 15.507 8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.835 16.746 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 18 92.109 16.843 7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 18 93.398 18.843 7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 18 94.406 17.776 8.071 1.00 0.00 H new ATOM 302 N PRO A 19 92.021 13.943 8.099 1.00 0.00 N ATOM 303 CA PRO A 19 91.007 12.833 8.078 1.00 0.00 C ATOM 304 C PRO A 19 89.885 13.099 7.062 1.00 0.00 C ATOM 305 O PRO A 19 89.226 12.169 6.593 1.00 0.00 O ATOM 306 CB PRO A 19 90.455 12.811 9.508 1.00 0.00 C ATOM 307 CG PRO A 19 90.766 14.155 10.070 1.00 0.00 C ATOM 308 CD PRO A 19 92.084 14.566 9.441 1.00 0.00 C ATOM 0 HA PRO A 19 91.447 11.883 7.775 1.00 0.00 H new ATOM 0 HB2 PRO A 19 89.382 12.622 9.512 1.00 0.00 H new ATOM 0 HB3 PRO A 19 90.921 12.021 10.097 1.00 0.00 H new ATOM 0 HG2 PRO A 19 89.979 14.871 9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 19 90.845 14.117 11.156 1.00 0.00 H new ATOM 0 HD2 PRO A 19 92.181 15.650 9.379 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.936 14.202 10.015 1.00 0.00 H new ATOM 316 N SER A 20 89.700 14.377 6.732 1.00 0.00 N ATOM 317 CA SER A 20 88.682 14.790 5.763 1.00 0.00 C ATOM 318 C SER A 20 89.165 14.582 4.322 1.00 0.00 C ATOM 319 O SER A 20 88.354 14.569 3.393 1.00 0.00 O ATOM 320 CB SER A 20 88.332 16.261 5.970 1.00 0.00 C ATOM 321 OG SER A 20 89.508 17.048 5.822 1.00 0.00 O ATOM 0 H SER A 20 90.243 15.147 7.122 1.00 0.00 H new ATOM 0 HA SER A 20 87.799 14.172 5.924 1.00 0.00 H new ATOM 0 HB2 SER A 20 87.578 16.573 5.247 1.00 0.00 H new ATOM 0 HB3 SER A 20 87.904 16.409 6.961 1.00 0.00 H new ATOM 0 HG SER A 20 89.287 17.994 5.953 1.00 0.00 H new ATOM 327 N ASP A 21 90.483 14.423 4.144 1.00 0.00 N ATOM 328 CA ASP A 21 91.061 14.218 2.818 1.00 0.00 C ATOM 329 C ASP A 21 90.745 12.818 2.319 1.00 0.00 C ATOM 330 O ASP A 21 90.623 11.877 3.111 1.00 0.00 O ATOM 331 CB ASP A 21 92.583 14.416 2.863 1.00 0.00 C ATOM 332 CG ASP A 21 93.152 14.549 1.444 1.00 0.00 C ATOM 333 OD1 ASP A 21 94.203 13.975 1.189 1.00 0.00 O ATOM 334 OD2 ASP A 21 92.540 15.231 0.642 1.00 0.00 O ATOM 0 H ASP A 21 91.165 14.433 4.903 1.00 0.00 H new ATOM 0 HA ASP A 21 90.627 14.949 2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 21 92.822 15.308 3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 21 93.050 13.572 3.370 1.00 0.00 H new ATOM 339 N THR A 22 90.610 12.692 0.999 1.00 0.00 N ATOM 340 CA THR A 22 90.308 11.410 0.385 1.00 0.00 C ATOM 341 C THR A 22 91.586 10.613 0.165 1.00 0.00 C ATOM 342 O THR A 22 92.682 11.172 0.133 1.00 0.00 O ATOM 343 CB THR A 22 89.600 11.630 -0.954 1.00 0.00 C ATOM 344 OG1 THR A 22 90.284 12.634 -1.690 1.00 0.00 O ATOM 345 CG2 THR A 22 88.153 12.069 -0.708 1.00 0.00 C ATOM 0 H THR A 22 90.706 13.464 0.339 1.00 0.00 H new ATOM 0 HA THR A 22 89.654 10.848 1.052 1.00 0.00 H new ATOM 0 HB THR A 22 89.600 10.699 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.832 12.775 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.653 12.225 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.629 11.296 -0.146 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.147 12.999 -0.139 1.00 0.00 H new ATOM 353 N ILE A 23 91.434 9.302 0.040 1.00 0.00 N ATOM 354 CA ILE A 23 92.583 8.417 -0.155 1.00 0.00 C ATOM 355 C ILE A 23 93.308 8.781 -1.448 1.00 0.00 C ATOM 356 O ILE A 23 94.541 8.843 -1.475 1.00 0.00 O ATOM 357 CB ILE A 23 92.127 6.939 -0.176 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.301 6.601 1.100 1.00 0.00 C ATOM 359 CG2 ILE A 23 93.349 6.002 -0.291 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.120 6.802 2.394 1.00 0.00 C ATOM 0 H ILE A 23 90.533 8.826 0.069 1.00 0.00 H new ATOM 0 HA ILE A 23 93.275 8.545 0.677 1.00 0.00 H new ATOM 0 HB ILE A 23 91.489 6.788 -1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.412 7.231 1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 23 90.958 5.568 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 23 93.013 4.965 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.889 6.220 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 23 94.009 6.158 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 23 91.503 6.554 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 23 92.995 6.153 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 23 92.441 7.841 2.464 1.00 0.00 H new ATOM 372 N GLU A 24 92.537 9.039 -2.506 1.00 0.00 N ATOM 373 CA GLU A 24 93.122 9.419 -3.792 1.00 0.00 C ATOM 374 C GLU A 24 93.975 10.686 -3.644 1.00 0.00 C ATOM 375 O GLU A 24 94.998 10.841 -4.317 1.00 0.00 O ATOM 376 CB GLU A 24 92.004 9.673 -4.806 1.00 0.00 C ATOM 377 CG GLU A 24 92.608 9.888 -6.202 1.00 0.00 C ATOM 378 CD GLU A 24 91.518 10.137 -7.253 1.00 0.00 C ATOM 379 OE1 GLU A 24 90.357 9.862 -6.982 1.00 0.00 O ATOM 380 OE2 GLU A 24 91.867 10.602 -8.326 1.00 0.00 O ATOM 0 H GLU A 24 91.518 8.993 -2.499 1.00 0.00 H new ATOM 0 HA GLU A 24 93.760 8.606 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.317 8.827 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 24 91.425 10.548 -4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 24 93.292 10.736 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 24 93.195 9.014 -6.485 1.00 0.00 H new ATOM 387 N ASN A 25 93.551 11.564 -2.737 1.00 0.00 N ATOM 388 CA ASN A 25 94.278 12.802 -2.464 1.00 0.00 C ATOM 389 C ASN A 25 95.604 12.505 -1.768 1.00 0.00 C ATOM 390 O ASN A 25 96.627 13.130 -2.063 1.00 0.00 O ATOM 391 CB ASN A 25 93.434 13.750 -1.598 1.00 0.00 C ATOM 392 CG ASN A 25 92.413 14.506 -2.457 1.00 0.00 C ATOM 393 OD1 ASN A 25 92.570 14.620 -3.676 1.00 0.00 O ATOM 394 ND2 ASN A 25 91.371 15.041 -1.886 1.00 0.00 N ATOM 0 H ASN A 25 92.707 11.441 -2.178 1.00 0.00 H new ATOM 0 HA ASN A 25 94.482 13.288 -3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.916 13.181 -0.826 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.085 14.461 -1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.689 15.552 -2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.238 14.949 -0.879 1.00 0.00 H new ATOM 401 N VAL A 26 95.567 11.549 -0.833 1.00 0.00 N ATOM 402 CA VAL A 26 96.756 11.163 -0.071 1.00 0.00 C ATOM 403 C VAL A 26 97.838 10.609 -1.001 1.00 0.00 C ATOM 404 O VAL A 26 99.018 10.940 -0.848 1.00 0.00 O ATOM 405 CB VAL A 26 96.382 10.105 0.994 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.627 9.670 1.788 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.353 10.695 1.968 1.00 0.00 C ATOM 0 H VAL A 26 94.725 11.029 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 26 97.149 12.049 0.427 1.00 0.00 H new ATOM 0 HB VAL A 26 95.962 9.238 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.342 8.926 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.361 9.240 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 26 98.060 10.536 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 26 95.091 9.948 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.778 11.569 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.458 10.987 1.419 1.00 0.00 H new ATOM 417 N LYS A 27 97.435 9.745 -1.931 1.00 0.00 N ATOM 418 CA LYS A 27 98.395 9.126 -2.845 1.00 0.00 C ATOM 419 C LYS A 27 99.185 10.198 -3.589 1.00 0.00 C ATOM 420 O LYS A 27 100.414 10.129 -3.659 1.00 0.00 O ATOM 421 CB LYS A 27 97.675 8.223 -3.848 1.00 0.00 C ATOM 422 CG LYS A 27 97.077 7.023 -3.111 1.00 0.00 C ATOM 423 CD LYS A 27 96.345 6.124 -4.108 1.00 0.00 C ATOM 424 CE LYS A 27 95.784 4.904 -3.375 1.00 0.00 C ATOM 425 NZ LYS A 27 95.081 4.022 -4.348 1.00 0.00 N ATOM 0 H LYS A 27 96.466 9.460 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 27 99.085 8.520 -2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.889 8.780 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.372 7.883 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.865 6.461 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.388 7.364 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.537 6.677 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 27 97.027 5.806 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 27 96.591 4.356 -2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 27 95.096 5.221 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.557 3.286 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 94.417 4.589 -4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 95.778 3.575 -4.978 1.00 0.00 H new ATOM 439 N ALA A 28 98.476 11.187 -4.136 1.00 0.00 N ATOM 440 CA ALA A 28 99.124 12.273 -4.876 1.00 0.00 C ATOM 441 C ALA A 28 100.241 12.905 -4.044 1.00 0.00 C ATOM 442 O ALA A 28 101.316 13.202 -4.574 1.00 0.00 O ATOM 443 CB ALA A 28 98.095 13.341 -5.252 1.00 0.00 C ATOM 0 H ALA A 28 97.460 11.259 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 28 99.559 11.855 -5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.587 14.143 -5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.320 12.896 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.643 13.746 -4.346 1.00 0.00 H new ATOM 449 N LYS A 29 99.987 13.087 -2.745 1.00 0.00 N ATOM 450 CA LYS A 29 100.992 13.666 -1.850 1.00 0.00 C ATOM 451 C LYS A 29 102.217 12.757 -1.787 1.00 0.00 C ATOM 452 O LYS A 29 103.359 13.229 -1.823 1.00 0.00 O ATOM 453 CB LYS A 29 100.415 13.834 -0.441 1.00 0.00 C ATOM 454 CG LYS A 29 99.324 14.908 -0.450 1.00 0.00 C ATOM 455 CD LYS A 29 98.742 15.052 0.960 1.00 0.00 C ATOM 456 CE LYS A 29 97.663 16.136 0.962 1.00 0.00 C ATOM 457 NZ LYS A 29 97.096 16.269 2.334 1.00 0.00 N ATOM 0 H LYS A 29 99.105 12.845 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 29 101.281 14.643 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 29 100.003 12.887 -0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.206 14.113 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.738 15.860 -0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.537 14.638 -1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.319 14.103 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.532 15.310 1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 29 98.087 17.087 0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 29 96.874 15.881 0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.558 17.156 2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.465 15.466 2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 97.869 16.278 3.030 1.00 0.00 H new ATOM 471 N ILE A 30 101.960 11.449 -1.702 1.00 0.00 N ATOM 472 CA ILE A 30 103.030 10.457 -1.640 1.00 0.00 C ATOM 473 C ILE A 30 103.844 10.506 -2.932 1.00 0.00 C ATOM 474 O ILE A 30 105.068 10.446 -2.897 1.00 0.00 O ATOM 475 CB ILE A 30 102.438 9.049 -1.429 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.769 8.992 -0.046 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.553 7.984 -1.491 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.898 7.733 0.064 1.00 0.00 C ATOM 0 H ILE A 30 101.020 11.055 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 30 103.684 10.683 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 30 101.709 8.847 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.529 8.988 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 30 101.158 9.881 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 30 103.120 6.995 -1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 30 104.039 8.023 -2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.288 8.181 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.428 7.701 1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 30 100.127 7.755 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.520 6.848 -0.070 1.00 0.00 H new ATOM 490 N GLN A 31 103.149 10.598 -4.068 1.00 0.00 N ATOM 491 CA GLN A 31 103.814 10.642 -5.376 1.00 0.00 C ATOM 492 C GLN A 31 104.955 11.662 -5.365 1.00 0.00 C ATOM 493 O GLN A 31 106.016 11.417 -5.937 1.00 0.00 O ATOM 494 CB GLN A 31 102.795 11.011 -6.464 1.00 0.00 C ATOM 495 CG GLN A 31 103.451 10.939 -7.851 1.00 0.00 C ATOM 496 CD GLN A 31 102.470 11.398 -8.930 1.00 0.00 C ATOM 497 OE1 GLN A 31 101.713 12.349 -8.727 1.00 0.00 O ATOM 498 NE2 GLN A 31 102.446 10.779 -10.076 1.00 0.00 N ATOM 0 H GLN A 31 102.131 10.643 -4.111 1.00 0.00 H new ATOM 0 HA GLN A 31 104.231 9.658 -5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 31 101.944 10.332 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.411 12.016 -6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 31 104.343 11.565 -7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 31 103.774 9.918 -8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 31 103.073 9.992 -10.244 1.00 0.00 H new ATOM 0 HE22 GLN A 31 101.801 11.081 -10.806 1.00 0.00 H new ATOM 507 N ASP A 32 104.717 12.800 -4.723 1.00 0.00 N ATOM 508 CA ASP A 32 105.724 13.857 -4.643 1.00 0.00 C ATOM 509 C ASP A 32 106.926 13.448 -3.779 1.00 0.00 C ATOM 510 O ASP A 32 108.056 13.852 -4.064 1.00 0.00 O ATOM 511 CB ASP A 32 105.095 15.128 -4.072 1.00 0.00 C ATOM 512 CG ASP A 32 106.041 16.307 -4.269 1.00 0.00 C ATOM 513 OD1 ASP A 32 106.430 16.901 -3.276 1.00 0.00 O ATOM 514 OD2 ASP A 32 106.363 16.599 -5.409 1.00 0.00 O ATOM 0 H ASP A 32 103.839 13.016 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 32 106.088 14.038 -5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 32 104.144 15.327 -4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 32 104.882 14.994 -3.011 1.00 0.00 H new ATOM 519 N LYS A 33 106.674 12.677 -2.716 1.00 0.00 N ATOM 520 CA LYS A 33 107.751 12.255 -1.806 1.00 0.00 C ATOM 521 C LYS A 33 108.515 11.020 -2.288 1.00 0.00 C ATOM 522 O LYS A 33 109.741 10.961 -2.152 1.00 0.00 O ATOM 523 CB LYS A 33 107.185 11.969 -0.415 1.00 0.00 C ATOM 524 CG LYS A 33 106.749 13.278 0.242 1.00 0.00 C ATOM 525 CD LYS A 33 106.118 12.991 1.603 1.00 0.00 C ATOM 526 CE LYS A 33 105.594 14.295 2.204 1.00 0.00 C ATOM 527 NZ LYS A 33 106.744 15.180 2.540 1.00 0.00 N ATOM 0 H LYS A 33 105.747 12.335 -2.464 1.00 0.00 H new ATOM 0 HA LYS A 33 108.458 13.084 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.337 11.288 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 33 107.937 11.475 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.608 13.939 0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 33 106.035 13.796 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.304 12.274 1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 33 106.853 12.540 2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 33 104.931 14.794 1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 33 105.007 14.086 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 106.423 15.943 3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 107.482 14.624 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 107.132 15.592 1.667 1.00 0.00 H new ATOM 541 N GLU A 34 107.795 10.030 -2.819 1.00 0.00 N ATOM 542 CA GLU A 34 108.419 8.789 -3.281 1.00 0.00 C ATOM 543 C GLU A 34 108.622 8.766 -4.794 1.00 0.00 C ATOM 544 O GLU A 34 109.297 7.873 -5.314 1.00 0.00 O ATOM 545 CB GLU A 34 107.540 7.599 -2.867 1.00 0.00 C ATOM 546 CG GLU A 34 107.484 7.504 -1.331 1.00 0.00 C ATOM 547 CD GLU A 34 108.863 7.143 -0.761 1.00 0.00 C ATOM 548 OE1 GLU A 34 109.094 7.414 0.408 1.00 0.00 O ATOM 549 OE2 GLU A 34 109.664 6.588 -1.494 1.00 0.00 O ATOM 0 H GLU A 34 106.783 10.063 -2.939 1.00 0.00 H new ATOM 0 HA GLU A 34 109.404 8.723 -2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.535 7.720 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 34 107.942 6.675 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 34 107.150 8.454 -0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 34 106.754 6.751 -1.034 1.00 0.00 H new ATOM 556 N GLY A 35 108.054 9.750 -5.496 1.00 0.00 N ATOM 557 CA GLY A 35 108.191 9.830 -6.945 1.00 0.00 C ATOM 558 C GLY A 35 107.519 8.651 -7.645 1.00 0.00 C ATOM 559 O GLY A 35 107.876 8.327 -8.781 1.00 0.00 O ATOM 0 H GLY A 35 107.498 10.498 -5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 35 107.752 10.762 -7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.248 9.855 -7.209 1.00 0.00 H new ATOM 563 N ILE A 36 106.559 7.999 -6.967 1.00 0.00 N ATOM 564 CA ILE A 36 105.873 6.842 -7.556 1.00 0.00 C ATOM 565 C ILE A 36 104.422 7.199 -7.938 1.00 0.00 C ATOM 566 O ILE A 36 103.720 7.831 -7.144 1.00 0.00 O ATOM 567 CB ILE A 36 105.885 5.638 -6.596 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.337 5.282 -6.240 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.224 4.424 -7.280 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.365 4.375 -5.008 1.00 0.00 C ATOM 0 H ILE A 36 106.247 8.249 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 36 106.415 6.565 -8.460 1.00 0.00 H new ATOM 0 HB ILE A 36 105.334 5.895 -5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.814 4.781 -7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 36 107.906 6.191 -6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.233 3.573 -6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 36 104.194 4.669 -7.540 1.00 0.00 H new ATOM 0 HG23 ILE A 36 105.776 4.171 -8.185 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.398 4.127 -4.762 1.00 0.00 H new ATOM 0 HD12 ILE A 36 106.905 4.892 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.812 3.459 -5.218 1.00 0.00 H new ATOM 582 N PRO A 37 103.952 6.804 -9.127 1.00 0.00 N ATOM 583 CA PRO A 37 102.563 7.110 -9.571 1.00 0.00 C ATOM 584 C PRO A 37 101.491 6.572 -8.597 1.00 0.00 C ATOM 585 O PRO A 37 101.641 5.465 -8.072 1.00 0.00 O ATOM 586 CB PRO A 37 102.439 6.431 -10.942 1.00 0.00 C ATOM 587 CG PRO A 37 103.834 6.234 -11.415 1.00 0.00 C ATOM 588 CD PRO A 37 104.675 6.033 -10.170 1.00 0.00 C ATOM 0 HA PRO A 37 102.393 8.186 -9.609 1.00 0.00 H new ATOM 0 HB2 PRO A 37 101.913 5.479 -10.863 1.00 0.00 H new ATOM 0 HB3 PRO A 37 101.873 7.051 -11.637 1.00 0.00 H new ATOM 0 HG2 PRO A 37 103.903 5.370 -12.076 1.00 0.00 H new ATOM 0 HG3 PRO A 37 104.179 7.098 -11.983 1.00 0.00 H new ATOM 0 HD2 PRO A 37 104.753 4.978 -9.906 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.691 6.403 -10.309 1.00 0.00 H new ATOM 596 N PRO A 38 100.416 7.323 -8.348 1.00 0.00 N ATOM 597 CA PRO A 38 99.318 6.876 -7.428 1.00 0.00 C ATOM 598 C PRO A 38 98.723 5.530 -7.854 1.00 0.00 C ATOM 599 O PRO A 38 98.345 4.716 -7.007 1.00 0.00 O ATOM 600 CB PRO A 38 98.267 7.993 -7.521 1.00 0.00 C ATOM 601 CG PRO A 38 98.996 9.192 -8.019 1.00 0.00 C ATOM 602 CD PRO A 38 100.118 8.668 -8.902 1.00 0.00 C ATOM 0 HA PRO A 38 99.682 6.720 -6.412 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.460 7.716 -8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 38 97.814 8.186 -6.549 1.00 0.00 H new ATOM 0 HG2 PRO A 38 98.331 9.846 -8.582 1.00 0.00 H new ATOM 0 HG3 PRO A 38 99.394 9.778 -7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 38 99.810 8.610 -9.946 1.00 0.00 H new ATOM 0 HD3 PRO A 38 100.992 9.318 -8.863 1.00 0.00 H new ATOM 610 N ASP A 39 98.639 5.313 -9.169 1.00 0.00 N ATOM 611 CA ASP A 39 98.077 4.074 -9.709 1.00 0.00 C ATOM 612 C ASP A 39 98.900 2.857 -9.291 1.00 0.00 C ATOM 613 O ASP A 39 98.339 1.787 -9.039 1.00 0.00 O ATOM 614 CB ASP A 39 98.032 4.150 -11.239 1.00 0.00 C ATOM 615 CG ASP A 39 96.758 4.859 -11.690 1.00 0.00 C ATOM 616 OD1 ASP A 39 96.846 5.675 -12.595 1.00 0.00 O ATOM 617 OD2 ASP A 39 95.710 4.573 -11.130 1.00 0.00 O ATOM 0 H ASP A 39 98.952 5.977 -9.877 1.00 0.00 H new ATOM 0 HA ASP A 39 97.070 3.962 -9.308 1.00 0.00 H new ATOM 0 HB2 ASP A 39 98.906 4.685 -11.610 1.00 0.00 H new ATOM 0 HB3 ASP A 39 98.069 3.146 -11.662 1.00 0.00 H new ATOM 622 N GLN A 40 100.223 3.022 -9.234 1.00 0.00 N ATOM 623 CA GLN A 40 101.115 1.917 -8.863 1.00 0.00 C ATOM 624 C GLN A 40 101.200 1.728 -7.341 1.00 0.00 C ATOM 625 O GLN A 40 101.758 0.734 -6.873 1.00 0.00 O ATOM 626 CB GLN A 40 102.521 2.174 -9.425 1.00 0.00 C ATOM 627 CG GLN A 40 103.285 0.848 -9.533 1.00 0.00 C ATOM 628 CD GLN A 40 104.685 1.075 -10.091 1.00 0.00 C ATOM 629 OE1 GLN A 40 105.416 1.943 -9.614 1.00 0.00 O ATOM 630 NE2 GLN A 40 105.100 0.338 -11.085 1.00 0.00 N ATOM 0 H GLN A 40 100.699 3.901 -9.438 1.00 0.00 H new ATOM 0 HA GLN A 40 100.699 1.004 -9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.451 2.645 -10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 40 103.061 2.864 -8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.351 0.380 -8.551 1.00 0.00 H new ATOM 0 HG3 GLN A 40 102.739 0.160 -10.178 1.00 0.00 H new ATOM 0 HE21 GLN A 40 104.491 -0.380 -11.477 1.00 0.00 H new ATOM 0 HE22 GLN A 40 106.034 0.480 -11.470 1.00 0.00 H new ATOM 639 N GLN A 41 100.649 2.678 -6.576 1.00 0.00 N ATOM 640 CA GLN A 41 100.681 2.597 -5.118 1.00 0.00 C ATOM 641 C GLN A 41 99.294 2.350 -4.546 1.00 0.00 C ATOM 642 O GLN A 41 98.341 3.064 -4.865 1.00 0.00 O ATOM 643 CB GLN A 41 101.245 3.890 -4.537 1.00 0.00 C ATOM 644 CG GLN A 41 102.722 4.010 -4.907 1.00 0.00 C ATOM 645 CD GLN A 41 103.290 5.310 -4.355 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.825 6.393 -4.707 1.00 0.00 O ATOM 647 NE2 GLN A 41 104.283 5.268 -3.509 1.00 0.00 N ATOM 0 H GLN A 41 100.179 3.506 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 41 101.321 1.758 -4.845 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.692 4.747 -4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 41 101.128 3.896 -3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 41 103.276 3.161 -4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.838 3.983 -5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.667 4.369 -3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.675 6.134 -3.139 1.00 0.00 H new ATOM 656 N ARG A 42 99.208 1.342 -3.681 1.00 0.00 N ATOM 657 CA ARG A 42 97.952 0.990 -3.026 1.00 0.00 C ATOM 658 C ARG A 42 98.169 0.970 -1.523 1.00 0.00 C ATOM 659 O ARG A 42 99.146 0.386 -1.044 1.00 0.00 O ATOM 660 CB ARG A 42 97.481 -0.385 -3.491 1.00 0.00 C ATOM 661 CG ARG A 42 97.141 -0.330 -4.982 1.00 0.00 C ATOM 662 CD ARG A 42 96.796 -1.732 -5.475 1.00 0.00 C ATOM 663 NE ARG A 42 95.575 -2.206 -4.816 1.00 0.00 N ATOM 664 CZ ARG A 42 95.114 -3.463 -4.944 1.00 0.00 C ATOM 665 NH1 ARG A 42 95.744 -4.361 -5.667 1.00 0.00 N ATOM 666 NH2 ARG A 42 94.013 -3.798 -4.332 1.00 0.00 N ATOM 0 H ARG A 42 99.998 0.753 -3.417 1.00 0.00 H new ATOM 0 HA ARG A 42 97.191 1.727 -3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.259 -1.128 -3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.606 -0.694 -2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.301 0.344 -5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 42 97.986 0.068 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 42 96.656 -1.723 -6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 42 97.621 -2.414 -5.266 1.00 0.00 H new ATOM 0 HE ARG A 42 95.051 -1.553 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 42 96.607 -4.113 -6.150 1.00 0.00 H new ATOM 0 HH12 ARG A 42 95.370 -5.307 -5.745 1.00 0.00 H new ATOM 0 HH21 ARG A 42 93.515 -3.111 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 42 93.650 -4.747 -4.419 1.00 0.00 H new ATOM 680 N LEU A 43 97.276 1.629 -0.785 1.00 0.00 N ATOM 681 CA LEU A 43 97.395 1.703 0.667 1.00 0.00 C ATOM 682 C LEU A 43 96.347 0.840 1.355 1.00 0.00 C ATOM 683 O LEU A 43 95.167 0.875 0.999 1.00 0.00 O ATOM 684 CB LEU A 43 97.221 3.156 1.117 1.00 0.00 C ATOM 685 CG LEU A 43 98.488 3.967 0.794 1.00 0.00 C ATOM 686 CD1 LEU A 43 98.166 5.463 0.843 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.573 3.654 1.831 1.00 0.00 C ATOM 0 H LEU A 43 96.466 2.117 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 43 98.382 1.333 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 43 96.360 3.599 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 43 97.021 3.191 2.188 1.00 0.00 H new ATOM 0 HG LEU A 43 98.842 3.700 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 43 99.064 6.036 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 43 97.392 5.693 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.812 5.726 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 43 100.471 4.228 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 43 99.214 3.921 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.806 2.590 1.804 1.00 0.00 H new ATOM 699 N ILE A 44 96.794 0.085 2.359 1.00 0.00 N ATOM 700 CA ILE A 44 95.907 -0.774 3.133 1.00 0.00 C ATOM 701 C ILE A 44 96.033 -0.422 4.606 1.00 0.00 C ATOM 702 O ILE A 44 97.132 -0.214 5.125 1.00 0.00 O ATOM 703 CB ILE A 44 96.210 -2.267 2.905 1.00 0.00 C ATOM 704 CG1 ILE A 44 96.006 -2.585 1.410 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.257 -3.140 3.758 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.342 -4.051 1.124 1.00 0.00 C ATOM 0 H ILE A 44 97.770 0.053 2.654 1.00 0.00 H new ATOM 0 HA ILE A 44 94.884 -0.603 2.799 1.00 0.00 H new ATOM 0 HB ILE A 44 97.237 -2.484 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 44 94.974 -2.380 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.638 -1.936 0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.480 -4.194 3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.395 -2.905 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.225 -2.937 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.193 -4.258 0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.382 -4.244 1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 44 95.691 -4.695 1.715 1.00 0.00 H new ATOM 718 N PHE A 45 94.883 -0.368 5.258 1.00 0.00 N ATOM 719 CA PHE A 45 94.814 -0.047 6.677 1.00 0.00 C ATOM 720 C PHE A 45 94.039 -1.134 7.418 1.00 0.00 C ATOM 721 O PHE A 45 92.949 -1.521 7.004 1.00 0.00 O ATOM 722 CB PHE A 45 94.138 1.316 6.865 1.00 0.00 C ATOM 723 CG PHE A 45 94.079 1.676 8.339 1.00 0.00 C ATOM 724 CD1 PHE A 45 95.257 1.990 9.030 1.00 0.00 C ATOM 725 CD2 PHE A 45 92.850 1.689 9.010 1.00 0.00 C ATOM 726 CE1 PHE A 45 95.202 2.318 10.390 1.00 0.00 C ATOM 727 CE2 PHE A 45 92.798 2.016 10.369 1.00 0.00 C ATOM 728 CZ PHE A 45 93.973 2.331 11.060 1.00 0.00 C ATOM 0 H PHE A 45 93.977 -0.544 4.824 1.00 0.00 H new ATOM 0 HA PHE A 45 95.823 0.001 7.087 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.689 2.081 6.319 1.00 0.00 H new ATOM 0 HB3 PHE A 45 93.131 1.290 6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 45 96.206 1.979 8.514 1.00 0.00 H new ATOM 0 HD2 PHE A 45 91.942 1.446 8.478 1.00 0.00 H new ATOM 0 HE1 PHE A 45 96.109 2.561 10.923 1.00 0.00 H new ATOM 0 HE2 PHE A 45 91.850 2.025 10.886 1.00 0.00 H new ATOM 0 HZ PHE A 45 93.932 2.584 12.109 1.00 0.00 H new ATOM 738 N ALA A 46 94.629 -1.597 8.515 1.00 0.00 N ATOM 739 CA ALA A 46 94.022 -2.644 9.346 1.00 0.00 C ATOM 740 C ALA A 46 93.633 -3.874 8.511 1.00 0.00 C ATOM 741 O ALA A 46 92.760 -4.652 8.912 1.00 0.00 O ATOM 742 CB ALA A 46 92.781 -2.104 10.069 1.00 0.00 C ATOM 0 H ALA A 46 95.532 -1.265 8.855 1.00 0.00 H new ATOM 0 HA ALA A 46 94.768 -2.948 10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 46 92.344 -2.893 10.680 1.00 0.00 H new ATOM 0 HB2 ALA A 46 93.067 -1.267 10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 46 92.050 -1.767 9.334 1.00 0.00 H new ATOM 748 N GLY A 47 94.296 -4.058 7.362 1.00 0.00 N ATOM 749 CA GLY A 47 94.024 -5.206 6.491 1.00 0.00 C ATOM 750 C GLY A 47 92.864 -4.951 5.519 1.00 0.00 C ATOM 751 O GLY A 47 92.311 -5.902 4.955 1.00 0.00 O ATOM 0 H GLY A 47 95.021 -3.429 7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.922 -5.446 5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.793 -6.076 7.105 1.00 0.00 H new ATOM 755 N LYS A 48 92.497 -3.677 5.318 1.00 0.00 N ATOM 756 CA LYS A 48 91.401 -3.335 4.404 1.00 0.00 C ATOM 757 C LYS A 48 91.895 -2.387 3.312 1.00 0.00 C ATOM 758 O LYS A 48 92.742 -1.524 3.565 1.00 0.00 O ATOM 759 CB LYS A 48 90.247 -2.667 5.167 1.00 0.00 C ATOM 760 CG LYS A 48 89.731 -3.603 6.268 1.00 0.00 C ATOM 761 CD LYS A 48 88.487 -2.997 6.930 1.00 0.00 C ATOM 762 CE LYS A 48 88.900 -1.841 7.846 1.00 0.00 C ATOM 763 NZ LYS A 48 87.761 -1.466 8.725 1.00 0.00 N ATOM 0 H LYS A 48 92.938 -2.876 5.771 1.00 0.00 H new ATOM 0 HA LYS A 48 91.043 -4.259 3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 48 90.586 -1.729 5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.438 -2.423 4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 48 89.489 -4.578 5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.509 -3.764 7.015 1.00 0.00 H new ATOM 0 HD2 LYS A 48 87.795 -2.640 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 48 87.962 -3.759 7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.758 -2.133 8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 48 89.208 -0.983 7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 88.045 -0.681 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 86.954 -1.170 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 87.486 -2.284 9.306 1.00 0.00 H new ATOM 777 N GLN A 49 91.349 -2.538 2.102 1.00 0.00 N ATOM 778 CA GLN A 49 91.729 -1.683 0.979 1.00 0.00 C ATOM 779 C GLN A 49 91.064 -0.316 1.097 1.00 0.00 C ATOM 780 O GLN A 49 89.843 -0.215 1.254 1.00 0.00 O ATOM 781 CB GLN A 49 91.316 -2.332 -0.337 1.00 0.00 C ATOM 782 CG GLN A 49 91.935 -1.557 -1.502 1.00 0.00 C ATOM 783 CD GLN A 49 91.554 -2.209 -2.823 1.00 0.00 C ATOM 784 OE1 GLN A 49 91.405 -3.430 -2.899 1.00 0.00 O ATOM 785 NE2 GLN A 49 91.382 -1.465 -3.881 1.00 0.00 N ATOM 0 H GLN A 49 90.646 -3.242 1.878 1.00 0.00 H new ATOM 0 HA GLN A 49 92.811 -1.555 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 49 91.644 -3.371 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 49 90.230 -2.339 -0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 49 91.591 -0.523 -1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 49 93.020 -1.534 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 49 91.505 -0.454 -3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 49 91.124 -1.894 -4.770 1.00 0.00 H new ATOM 794 N LEU A 50 91.884 0.725 1.006 1.00 0.00 N ATOM 795 CA LEU A 50 91.397 2.095 1.098 1.00 0.00 C ATOM 796 C LEU A 50 90.911 2.579 -0.258 1.00 0.00 C ATOM 797 O LEU A 50 91.715 2.906 -1.134 1.00 0.00 O ATOM 798 CB LEU A 50 92.521 3.006 1.610 1.00 0.00 C ATOM 799 CG LEU A 50 93.021 2.515 2.980 1.00 0.00 C ATOM 800 CD1 LEU A 50 94.251 3.319 3.387 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.923 2.701 4.037 1.00 0.00 C ATOM 0 H LEU A 50 92.891 0.645 0.868 1.00 0.00 H new ATOM 0 HA LEU A 50 90.560 2.127 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.345 3.016 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 50 92.159 4.031 1.693 1.00 0.00 H new ATOM 0 HG LEU A 50 93.276 1.458 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.607 2.973 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 50 95.036 3.184 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.990 4.375 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 50 92.285 2.351 5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.662 3.757 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 50 91.041 2.127 3.751 1.00 0.00 H new ATOM 813 N GLU A 51 89.590 2.597 -0.417 1.00 0.00 N ATOM 814 CA GLU A 51 88.977 3.018 -1.672 1.00 0.00 C ATOM 815 C GLU A 51 89.290 4.484 -1.954 1.00 0.00 C ATOM 816 O GLU A 51 89.157 5.336 -1.073 1.00 0.00 O ATOM 817 CB GLU A 51 87.467 2.819 -1.601 1.00 0.00 C ATOM 818 CG GLU A 51 86.851 2.992 -2.996 1.00 0.00 C ATOM 819 CD GLU A 51 85.352 2.667 -2.975 1.00 0.00 C ATOM 820 OE1 GLU A 51 84.894 2.031 -2.033 1.00 0.00 O ATOM 821 OE2 GLU A 51 84.675 3.064 -3.910 1.00 0.00 O ATOM 0 H GLU A 51 88.925 2.325 0.307 1.00 0.00 H new ATOM 0 HA GLU A 51 89.386 2.411 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 51 87.240 1.825 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 51 87.029 3.538 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 51 87.001 4.015 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 51 87.359 2.339 -3.706 1.00 0.00 H new ATOM 828 N ASP A 52 89.726 4.753 -3.182 1.00 0.00 N ATOM 829 CA ASP A 52 90.087 6.110 -3.595 1.00 0.00 C ATOM 830 C ASP A 52 88.919 7.077 -3.413 1.00 0.00 C ATOM 831 O ASP A 52 89.124 8.229 -3.013 1.00 0.00 O ATOM 832 CB ASP A 52 90.531 6.103 -5.060 1.00 0.00 C ATOM 833 CG ASP A 52 92.014 5.744 -5.162 1.00 0.00 C ATOM 834 OD1 ASP A 52 92.328 4.794 -5.861 1.00 0.00 O ATOM 835 OD2 ASP A 52 92.813 6.429 -4.544 1.00 0.00 O ATOM 0 H ASP A 52 89.839 4.049 -3.911 1.00 0.00 H new ATOM 0 HA ASP A 52 90.908 6.450 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 52 89.936 5.385 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 52 90.355 7.082 -5.505 1.00 0.00 H new ATOM 840 N GLY A 53 87.706 6.605 -3.712 1.00 0.00 N ATOM 841 CA GLY A 53 86.502 7.436 -3.592 1.00 0.00 C ATOM 842 C GLY A 53 86.008 7.558 -2.146 1.00 0.00 C ATOM 843 O GLY A 53 84.927 8.107 -1.906 1.00 0.00 O ATOM 0 H GLY A 53 87.530 5.655 -4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.712 8.431 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.709 7.011 -4.208 1.00 0.00 H new ATOM 847 N ARG A 54 86.797 7.057 -1.189 1.00 0.00 N ATOM 848 CA ARG A 54 86.433 7.126 0.226 1.00 0.00 C ATOM 849 C ARG A 54 87.390 8.031 0.983 1.00 0.00 C ATOM 850 O ARG A 54 88.485 8.335 0.501 1.00 0.00 O ATOM 851 CB ARG A 54 86.441 5.731 0.850 1.00 0.00 C ATOM 852 CG ARG A 54 85.235 4.943 0.344 1.00 0.00 C ATOM 853 CD ARG A 54 85.190 3.575 1.022 1.00 0.00 C ATOM 854 NE ARG A 54 84.071 2.791 0.490 1.00 0.00 N ATOM 855 CZ ARG A 54 82.822 2.874 0.983 1.00 0.00 C ATOM 856 NH1 ARG A 54 82.526 3.676 1.981 1.00 0.00 N ATOM 857 NH2 ARG A 54 81.881 2.140 0.456 1.00 0.00 N ATOM 0 H ARG A 54 87.691 6.600 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 54 85.427 7.540 0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.364 5.211 0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.410 5.806 1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.317 5.492 0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.296 4.821 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 54 86.128 3.046 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 54 85.080 3.697 2.100 1.00 0.00 H new ATOM 0 HE ARG A 54 84.247 2.155 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 54 83.252 4.256 2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 54 81.570 3.719 2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 54 82.097 1.514 -0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 54 80.929 2.192 0.820 1.00 0.00 H new ATOM 871 N THR A 55 86.962 8.462 2.170 1.00 0.00 N ATOM 872 CA THR A 55 87.780 9.341 3.004 1.00 0.00 C ATOM 873 C THR A 55 88.374 8.583 4.188 1.00 0.00 C ATOM 874 O THR A 55 87.907 7.500 4.545 1.00 0.00 O ATOM 875 CB THR A 55 86.945 10.520 3.516 1.00 0.00 C ATOM 876 OG1 THR A 55 85.746 10.032 4.097 1.00 0.00 O ATOM 877 CG2 THR A 55 86.608 11.465 2.358 1.00 0.00 C ATOM 0 H THR A 55 86.058 8.218 2.574 1.00 0.00 H new ATOM 0 HA THR A 55 88.597 9.717 2.388 1.00 0.00 H new ATOM 0 HB THR A 55 87.518 11.067 4.265 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.187 9.627 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 55 86.015 12.300 2.731 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.530 11.844 1.917 1.00 0.00 H new ATOM 0 HG23 THR A 55 86.039 10.925 1.601 1.00 0.00 H new ATOM 885 N LEU A 56 89.427 9.158 4.764 1.00 0.00 N ATOM 886 CA LEU A 56 90.123 8.545 5.890 1.00 0.00 C ATOM 887 C LEU A 56 89.187 8.367 7.083 1.00 0.00 C ATOM 888 O LEU A 56 89.233 7.338 7.761 1.00 0.00 O ATOM 889 CB LEU A 56 91.318 9.415 6.296 1.00 0.00 C ATOM 890 CG LEU A 56 92.371 9.421 5.178 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.380 10.541 5.433 1.00 0.00 C ATOM 892 CD2 LEU A 56 93.116 8.078 5.149 1.00 0.00 C ATOM 0 H LEU A 56 89.818 10.052 4.467 1.00 0.00 H new ATOM 0 HA LEU A 56 90.474 7.561 5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 56 90.985 10.433 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.758 9.035 7.218 1.00 0.00 H new ATOM 0 HG LEU A 56 91.870 9.580 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.127 10.545 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 56 92.863 11.500 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.871 10.377 6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.860 8.092 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.611 7.916 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.406 7.272 4.967 1.00 0.00 H new ATOM 904 N SER A 57 88.339 9.368 7.330 1.00 0.00 N ATOM 905 CA SER A 57 87.393 9.302 8.446 1.00 0.00 C ATOM 906 C SER A 57 86.454 8.104 8.290 1.00 0.00 C ATOM 907 O SER A 57 86.087 7.464 9.278 1.00 0.00 O ATOM 908 CB SER A 57 86.570 10.588 8.520 1.00 0.00 C ATOM 909 OG SER A 57 87.400 11.652 8.963 1.00 0.00 O ATOM 0 H SER A 57 88.288 10.225 6.779 1.00 0.00 H new ATOM 0 HA SER A 57 87.964 9.185 9.367 1.00 0.00 H new ATOM 0 HB2 SER A 57 86.151 10.822 7.541 1.00 0.00 H new ATOM 0 HB3 SER A 57 85.731 10.457 9.203 1.00 0.00 H new ATOM 0 HG SER A 57 87.956 11.965 8.219 1.00 0.00 H new ATOM 915 N ASP A 58 86.078 7.814 7.043 1.00 0.00 N ATOM 916 CA ASP A 58 85.179 6.699 6.748 1.00 0.00 C ATOM 917 C ASP A 58 85.811 5.352 7.115 1.00 0.00 C ATOM 918 O ASP A 58 85.092 4.379 7.363 1.00 0.00 O ATOM 919 CB ASP A 58 84.815 6.705 5.257 1.00 0.00 C ATOM 920 CG ASP A 58 83.638 7.653 5.007 1.00 0.00 C ATOM 921 OD1 ASP A 58 83.685 8.383 4.027 1.00 0.00 O ATOM 922 OD2 ASP A 58 82.706 7.630 5.792 1.00 0.00 O ATOM 0 H ASP A 58 86.383 8.336 6.222 1.00 0.00 H new ATOM 0 HA ASP A 58 84.280 6.827 7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 58 85.676 7.017 4.666 1.00 0.00 H new ATOM 0 HB3 ASP A 58 84.555 5.697 4.934 1.00 0.00 H new ATOM 927 N TYR A 59 87.145 5.300 7.139 1.00 0.00 N ATOM 928 CA TYR A 59 87.859 4.062 7.465 1.00 0.00 C ATOM 929 C TYR A 59 88.262 3.997 8.936 1.00 0.00 C ATOM 930 O TYR A 59 89.032 3.109 9.318 1.00 0.00 O ATOM 931 CB TYR A 59 89.114 3.933 6.589 1.00 0.00 C ATOM 932 CG TYR A 59 88.759 3.327 5.248 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.583 1.943 5.138 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.608 4.145 4.123 1.00 0.00 C ATOM 935 CE1 TYR A 59 88.255 1.379 3.903 1.00 0.00 C ATOM 936 CE2 TYR A 59 88.280 3.579 2.887 1.00 0.00 C ATOM 937 CZ TYR A 59 88.106 2.194 2.776 1.00 0.00 C ATOM 938 OH TYR A 59 87.783 1.634 1.559 1.00 0.00 O ATOM 0 H TYR A 59 87.750 6.096 6.938 1.00 0.00 H new ATOM 0 HA TYR A 59 87.176 3.236 7.268 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.567 4.914 6.444 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.855 3.311 7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 59 88.701 1.312 6.007 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.745 5.213 4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.116 0.311 3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 59 88.161 4.210 2.018 1.00 0.00 H new ATOM 0 HH TYR A 59 88.418 0.918 1.350 1.00 0.00 H new ATOM 948 N ASN A 60 87.749 4.915 9.767 1.00 0.00 N ATOM 949 CA ASN A 60 88.073 4.916 11.190 1.00 0.00 C ATOM 950 C ASN A 60 89.584 5.061 11.401 1.00 0.00 C ATOM 951 O ASN A 60 90.224 4.239 12.069 1.00 0.00 O ATOM 952 CB ASN A 60 87.558 3.622 11.845 1.00 0.00 C ATOM 953 CG ASN A 60 86.041 3.538 11.716 1.00 0.00 C ATOM 954 OD1 ASN A 60 85.340 4.516 11.976 1.00 0.00 O ATOM 955 ND2 ASN A 60 85.493 2.421 11.326 1.00 0.00 N ATOM 0 H ASN A 60 87.114 5.658 9.476 1.00 0.00 H new ATOM 0 HA ASN A 60 87.583 5.769 11.660 1.00 0.00 H new ATOM 0 HB2 ASN A 60 88.020 2.756 11.370 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.843 3.599 12.897 1.00 0.00 H new ATOM 0 HD21 ASN A 60 84.479 2.355 11.235 1.00 0.00 H new ATOM 0 HD22 ASN A 60 86.078 1.613 11.112 1.00 0.00 H new ATOM 962 N ILE A 61 90.148 6.127 10.827 1.00 0.00 N ATOM 963 CA ILE A 61 91.581 6.402 10.956 1.00 0.00 C ATOM 964 C ILE A 61 91.764 7.623 11.854 1.00 0.00 C ATOM 965 O ILE A 61 91.166 8.674 11.610 1.00 0.00 O ATOM 966 CB ILE A 61 92.211 6.656 9.572 1.00 0.00 C ATOM 967 CG1 ILE A 61 92.003 5.424 8.673 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.720 6.918 9.727 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.292 5.788 7.212 1.00 0.00 C ATOM 0 H ILE A 61 89.636 6.811 10.270 1.00 0.00 H new ATOM 0 HA ILE A 61 92.080 5.540 11.397 1.00 0.00 H new ATOM 0 HB ILE A 61 91.734 7.525 9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.660 4.615 8.992 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.980 5.061 8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.161 7.097 8.746 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.874 7.792 10.359 1.00 0.00 H new ATOM 0 HG23 ILE A 61 94.195 6.050 10.185 1.00 0.00 H new ATOM 0 HD11 ILE A 61 92.143 4.911 6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.616 6.582 6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.323 6.130 7.119 1.00 0.00 H new ATOM 981 N GLN A 62 92.583 7.466 12.893 1.00 0.00 N ATOM 982 CA GLN A 62 92.833 8.550 13.838 1.00 0.00 C ATOM 983 C GLN A 62 94.200 9.186 13.597 1.00 0.00 C ATOM 984 O GLN A 62 94.900 8.840 12.642 1.00 0.00 O ATOM 985 CB GLN A 62 92.741 8.006 15.272 1.00 0.00 C ATOM 986 CG GLN A 62 91.316 7.512 15.550 1.00 0.00 C ATOM 987 CD GLN A 62 90.333 8.681 15.542 1.00 0.00 C ATOM 988 OE1 GLN A 62 90.568 9.696 16.198 1.00 0.00 O ATOM 989 NE2 GLN A 62 89.241 8.597 14.833 1.00 0.00 N ATOM 0 H GLN A 62 93.083 6.601 13.100 1.00 0.00 H new ATOM 0 HA GLN A 62 92.078 9.323 13.692 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.451 7.190 15.408 1.00 0.00 H new ATOM 0 HB3 GLN A 62 93.011 8.786 15.984 1.00 0.00 H new ATOM 0 HG2 GLN A 62 91.025 6.780 14.797 1.00 0.00 H new ATOM 0 HG3 GLN A 62 91.282 7.007 16.515 1.00 0.00 H new ATOM 0 HE21 GLN A 62 89.049 7.755 14.290 1.00 0.00 H new ATOM 0 HE22 GLN A 62 88.580 9.373 14.821 1.00 0.00 H new ATOM 998 N LYS A 63 94.565 10.119 14.478 1.00 0.00 N ATOM 999 CA LYS A 63 95.838 10.823 14.394 1.00 0.00 C ATOM 1000 C LYS A 63 97.004 9.876 14.636 1.00 0.00 C ATOM 1001 O LYS A 63 96.924 8.981 15.479 1.00 0.00 O ATOM 1002 CB LYS A 63 95.864 11.938 15.434 1.00 0.00 C ATOM 1003 CG LYS A 63 94.851 13.015 15.044 1.00 0.00 C ATOM 1004 CD LYS A 63 94.894 14.155 16.062 1.00 0.00 C ATOM 1005 CE LYS A 63 93.912 15.250 15.640 1.00 0.00 C ATOM 1006 NZ LYS A 63 93.954 16.367 16.628 1.00 0.00 N ATOM 0 H LYS A 63 93.985 10.405 15.267 1.00 0.00 H new ATOM 0 HA LYS A 63 95.939 11.240 13.392 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.626 11.538 16.419 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.863 12.368 15.498 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.076 13.396 14.048 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.849 12.588 15.004 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.636 13.782 17.053 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.903 14.562 16.127 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.168 15.619 14.647 1.00 0.00 H new ATOM 0 HE3 LYS A 63 92.903 14.843 15.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 93.286 17.110 16.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 93.690 16.009 17.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 94.916 16.761 16.666 1.00 0.00 H new ATOM 1020 N GLU A 64 98.087 10.089 13.887 1.00 0.00 N ATOM 1021 CA GLU A 64 99.283 9.260 14.009 1.00 0.00 C ATOM 1022 C GLU A 64 98.932 7.775 13.896 1.00 0.00 C ATOM 1023 O GLU A 64 98.774 7.073 14.902 1.00 0.00 O ATOM 1024 CB GLU A 64 99.987 9.546 15.338 1.00 0.00 C ATOM 1025 CG GLU A 64 100.657 10.933 15.293 1.00 0.00 C ATOM 1026 CD GLU A 64 99.636 12.036 15.609 1.00 0.00 C ATOM 1027 OE1 GLU A 64 99.678 13.070 14.953 1.00 0.00 O ATOM 1028 OE2 GLU A 64 98.840 11.837 16.509 1.00 0.00 O ATOM 0 H GLU A 64 98.159 10.830 13.189 1.00 0.00 H new ATOM 0 HA GLU A 64 99.960 9.508 13.192 1.00 0.00 H new ATOM 0 HB2 GLU A 64 99.267 9.507 16.156 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.735 8.778 15.535 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.476 10.971 16.011 1.00 0.00 H new ATOM 0 HG3 GLU A 64 101.090 11.102 14.307 1.00 0.00 H new ATOM 1035 N SER A 65 98.816 7.310 12.653 1.00 0.00 N ATOM 1036 CA SER A 65 98.489 5.915 12.383 1.00 0.00 C ATOM 1037 C SER A 65 99.481 5.343 11.378 1.00 0.00 C ATOM 1038 O SER A 65 100.037 6.085 10.563 1.00 0.00 O ATOM 1039 CB SER A 65 97.067 5.805 11.831 1.00 0.00 C ATOM 1040 OG SER A 65 96.157 6.354 12.775 1.00 0.00 O ATOM 0 H SER A 65 98.944 7.881 11.818 1.00 0.00 H new ATOM 0 HA SER A 65 98.550 5.348 13.312 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.990 6.336 10.882 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.820 4.762 11.634 1.00 0.00 H new ATOM 0 HG SER A 65 95.885 7.250 12.485 1.00 0.00 H new ATOM 1046 N THR A 66 99.703 4.030 11.446 1.00 0.00 N ATOM 1047 CA THR A 66 100.639 3.376 10.538 1.00 0.00 C ATOM 1048 C THR A 66 99.900 2.704 9.386 1.00 0.00 C ATOM 1049 O THR A 66 99.154 1.743 9.588 1.00 0.00 O ATOM 1050 CB THR A 66 101.461 2.330 11.298 1.00 0.00 C ATOM 1051 OG1 THR A 66 101.966 2.908 12.493 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.630 1.861 10.427 1.00 0.00 C ATOM 0 H THR A 66 99.251 3.406 12.114 1.00 0.00 H new ATOM 0 HA THR A 66 101.304 4.137 10.129 1.00 0.00 H new ATOM 0 HB THR A 66 100.827 1.477 11.541 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.491 2.241 12.983 1.00 0.00 H new ATOM 0 HG21 THR A 66 103.213 1.117 10.970 1.00 0.00 H new ATOM 0 HG22 THR A 66 102.245 1.420 9.508 1.00 0.00 H new ATOM 0 HG23 THR A 66 103.266 2.712 10.182 1.00 0.00 H new ATOM 1060 N LEU A 67 100.118 3.229 8.180 1.00 0.00 N ATOM 1061 CA LEU A 67 99.482 2.694 6.979 1.00 0.00 C ATOM 1062 C LEU A 67 100.456 1.799 6.224 1.00 0.00 C ATOM 1063 O LEU A 67 101.648 2.099 6.139 1.00 0.00 O ATOM 1064 CB LEU A 67 99.038 3.840 6.068 1.00 0.00 C ATOM 1065 CG LEU A 67 97.912 4.638 6.737 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.747 5.987 6.028 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.593 3.862 6.634 1.00 0.00 C ATOM 0 H LEU A 67 100.732 4.026 8.010 1.00 0.00 H new ATOM 0 HA LEU A 67 98.612 2.109 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.883 4.495 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.695 3.443 5.112 1.00 0.00 H new ATOM 0 HG LEU A 67 98.165 4.797 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.947 6.553 6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.678 6.549 6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.499 5.819 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.797 4.433 7.111 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.346 3.702 5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.698 2.899 7.133 1.00 0.00 H new ATOM 1079 N HIS A 68 99.933 0.706 5.671 1.00 0.00 N ATOM 1080 CA HIS A 68 100.753 -0.229 4.910 1.00 0.00 C ATOM 1081 C HIS A 68 100.713 0.119 3.430 1.00 0.00 C ATOM 1082 O HIS A 68 99.636 0.225 2.840 1.00 0.00 O ATOM 1083 CB HIS A 68 100.249 -1.660 5.112 1.00 0.00 C ATOM 1084 CG HIS A 68 100.543 -2.101 6.517 1.00 0.00 C ATOM 1085 ND1 HIS A 68 101.813 -2.481 6.918 1.00 0.00 N ATOM 1086 CD2 HIS A 68 99.746 -2.225 7.628 1.00 0.00 C ATOM 1087 CE1 HIS A 68 101.747 -2.814 8.219 1.00 0.00 C ATOM 1088 NE2 HIS A 68 100.509 -2.675 8.702 1.00 0.00 N ATOM 0 H HIS A 68 98.948 0.448 5.736 1.00 0.00 H new ATOM 0 HA HIS A 68 101.780 -0.156 5.267 1.00 0.00 H new ATOM 0 HB2 HIS A 68 99.177 -1.710 4.921 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.731 -2.331 4.401 1.00 0.00 H new ATOM 0 HD2 HIS A 68 98.689 -2.007 7.663 1.00 0.00 H new ATOM 0 HE1 HIS A 68 102.591 -3.152 8.802 1.00 0.00 H new ATOM 0 HE2 HIS A 68 100.191 -2.859 9.654 1.00 0.00 H new ATOM 1096 N LEU A 69 101.894 0.295 2.842 1.00 0.00 N ATOM 1097 CA LEU A 69 101.999 0.629 1.426 1.00 0.00 C ATOM 1098 C LEU A 69 102.462 -0.587 0.638 1.00 0.00 C ATOM 1099 O LEU A 69 103.417 -1.265 1.029 1.00 0.00 O ATOM 1100 CB LEU A 69 102.994 1.775 1.211 1.00 0.00 C ATOM 1101 CG LEU A 69 102.929 2.249 -0.252 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.667 3.086 -0.465 1.00 0.00 C ATOM 1103 CD2 LEU A 69 104.161 3.092 -0.579 1.00 0.00 C ATOM 0 H LEU A 69 102.789 0.212 3.324 1.00 0.00 H new ATOM 0 HA LEU A 69 101.015 0.942 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.762 2.602 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 69 104.004 1.443 1.452 1.00 0.00 H new ATOM 0 HG LEU A 69 102.904 1.379 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.623 3.421 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.788 2.482 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.690 3.953 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.110 3.425 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.193 3.960 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 69 105.060 2.493 -0.434 1.00 0.00 H new ATOM 1115 N VAL A 70 101.791 -0.839 -0.481 1.00 0.00 N ATOM 1116 CA VAL A 70 102.131 -1.959 -1.352 1.00 0.00 C ATOM 1117 C VAL A 70 102.344 -1.408 -2.756 1.00 0.00 C ATOM 1118 O VAL A 70 101.732 -0.396 -3.116 1.00 0.00 O ATOM 1119 CB VAL A 70 100.989 -2.998 -1.364 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.430 -4.248 -2.134 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.621 -3.397 0.076 1.00 0.00 C ATOM 0 H VAL A 70 101.004 -0.279 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 70 103.033 -2.453 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 70 100.120 -2.555 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.620 -4.977 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.678 -3.975 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.306 -4.682 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 70 99.815 -4.130 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.492 -3.830 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.295 -2.514 0.626 1.00 0.00 H new ATOM 1131 N LEU A 71 103.207 -2.055 -3.541 1.00 0.00 N ATOM 1132 CA LEU A 71 103.477 -1.592 -4.904 1.00 0.00 C ATOM 1133 C LEU A 71 102.897 -2.568 -5.913 1.00 0.00 C ATOM 1134 O LEU A 71 103.204 -3.764 -5.881 1.00 0.00 O ATOM 1135 CB LEU A 71 104.986 -1.453 -5.133 1.00 0.00 C ATOM 1136 CG LEU A 71 105.244 -0.675 -6.434 1.00 0.00 C ATOM 1137 CD1 LEU A 71 104.955 0.815 -6.215 1.00 0.00 C ATOM 1138 CD2 LEU A 71 106.706 -0.844 -6.856 1.00 0.00 C ATOM 0 H LEU A 71 103.724 -2.889 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 71 103.007 -0.617 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.445 -0.935 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.447 -2.439 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 71 104.589 -1.064 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.140 1.361 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 71 103.914 0.944 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.606 1.200 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 71 106.885 -0.291 -7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.358 -0.461 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 71 106.918 -1.901 -7.020 1.00 0.00 H new ATOM 1150 N ARG A 72 102.063 -2.048 -6.817 1.00 0.00 N ATOM 1151 CA ARG A 72 101.443 -2.872 -7.844 1.00 0.00 C ATOM 1152 C ARG A 72 102.265 -2.817 -9.130 1.00 0.00 C ATOM 1153 O ARG A 72 102.056 -1.951 -9.982 1.00 0.00 O ATOM 1154 CB ARG A 72 100.012 -2.389 -8.106 1.00 0.00 C ATOM 1155 CG ARG A 72 99.322 -3.341 -9.087 1.00 0.00 C ATOM 1156 CD ARG A 72 97.856 -2.961 -9.211 1.00 0.00 C ATOM 1157 NE ARG A 72 97.719 -1.680 -9.910 1.00 0.00 N ATOM 1158 CZ ARG A 72 96.530 -1.077 -10.096 1.00 0.00 C ATOM 1159 NH1 ARG A 72 95.412 -1.605 -9.654 1.00 0.00 N ATOM 1160 NH2 ARG A 72 96.489 0.059 -10.734 1.00 0.00 N ATOM 0 H ARG A 72 101.805 -1.062 -6.854 1.00 0.00 H new ATOM 0 HA ARG A 72 101.408 -3.905 -7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 72 99.454 -2.347 -7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 72 100.027 -1.378 -8.514 1.00 0.00 H new ATOM 0 HG2 ARG A 72 99.806 -3.290 -10.062 1.00 0.00 H new ATOM 0 HG3 ARG A 72 99.414 -4.370 -8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 72 97.317 -3.738 -9.753 1.00 0.00 H new ATOM 0 HD3 ARG A 72 97.406 -2.892 -8.221 1.00 0.00 H new ATOM 0 HE ARG A 72 98.559 -1.227 -10.270 1.00 0.00 H new ATOM 0 HH11 ARG A 72 95.430 -2.495 -9.155 1.00 0.00 H new ATOM 0 HH12 ARG A 72 94.525 -1.126 -9.809 1.00 0.00 H new ATOM 0 HH21 ARG A 72 97.350 0.479 -11.084 1.00 0.00 H new ATOM 0 HH22 ARG A 72 95.596 0.528 -10.883 1.00 0.00 H new ATOM 1174 N LEU A 73 103.196 -3.758 -9.263 1.00 0.00 N ATOM 1175 CA LEU A 73 104.046 -3.829 -10.440 1.00 0.00 C ATOM 1176 C LEU A 73 103.789 -5.128 -11.191 1.00 0.00 C ATOM 1177 O LEU A 73 103.637 -6.191 -10.586 1.00 0.00 O ATOM 1178 CB LEU A 73 105.524 -3.750 -10.031 1.00 0.00 C ATOM 1179 CG LEU A 73 106.413 -3.695 -11.283 1.00 0.00 C ATOM 1180 CD1 LEU A 73 106.316 -2.311 -11.923 1.00 0.00 C ATOM 1181 CD2 LEU A 73 107.864 -3.976 -10.898 1.00 0.00 C ATOM 0 H LEU A 73 103.378 -4.481 -8.567 1.00 0.00 H new ATOM 0 HA LEU A 73 103.812 -2.987 -11.092 1.00 0.00 H new ATOM 0 HB2 LEU A 73 105.693 -2.866 -9.416 1.00 0.00 H new ATOM 0 HB3 LEU A 73 105.789 -4.616 -9.424 1.00 0.00 H new ATOM 0 HG LEU A 73 106.075 -4.448 -11.995 1.00 0.00 H new ATOM 0 HD11 LEU A 73 106.948 -2.275 -12.811 1.00 0.00 H new ATOM 0 HD12 LEU A 73 105.282 -2.112 -12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 73 106.649 -1.556 -11.210 1.00 0.00 H new ATOM 0 HD21 LEU A 73 108.491 -3.936 -11.789 1.00 0.00 H new ATOM 0 HD22 LEU A 73 108.202 -3.227 -10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.936 -4.966 -10.448 1.00 0.00 H new ATOM 1193 N ARG A 74 103.765 -5.034 -12.521 1.00 0.00 N ATOM 1194 CA ARG A 74 103.543 -6.203 -13.365 1.00 0.00 C ATOM 1195 C ARG A 74 104.793 -6.518 -14.176 1.00 0.00 C ATOM 1196 O ARG A 74 105.587 -5.623 -14.482 1.00 0.00 O ATOM 1197 CB ARG A 74 102.365 -5.947 -14.314 1.00 0.00 C ATOM 1198 CG ARG A 74 101.070 -5.852 -13.504 1.00 0.00 C ATOM 1199 CD ARG A 74 99.904 -5.515 -14.434 1.00 0.00 C ATOM 1200 NE ARG A 74 98.662 -5.406 -13.660 1.00 0.00 N ATOM 1201 CZ ARG A 74 97.444 -5.363 -14.231 1.00 0.00 C ATOM 1202 NH1 ARG A 74 97.290 -5.411 -15.534 1.00 0.00 N ATOM 1203 NH2 ARG A 74 96.388 -5.275 -13.469 1.00 0.00 N ATOM 0 H ARG A 74 103.896 -4.162 -13.034 1.00 0.00 H new ATOM 0 HA ARG A 74 103.314 -7.055 -12.725 1.00 0.00 H new ATOM 0 HB2 ARG A 74 102.527 -5.024 -14.871 1.00 0.00 H new ATOM 0 HB3 ARG A 74 102.291 -6.752 -15.045 1.00 0.00 H new ATOM 0 HG2 ARG A 74 100.879 -6.796 -12.993 1.00 0.00 H new ATOM 0 HG3 ARG A 74 101.167 -5.087 -12.734 1.00 0.00 H new ATOM 0 HD2 ARG A 74 100.102 -4.578 -14.954 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.801 -6.287 -15.196 1.00 0.00 H new ATOM 0 HE ARG A 74 98.725 -5.361 -12.643 1.00 0.00 H new ATOM 0 HH11 ARG A 74 98.106 -5.483 -16.142 1.00 0.00 H new ATOM 0 HH12 ARG A 74 96.354 -5.377 -15.939 1.00 0.00 H new ATOM 0 HH21 ARG A 74 96.492 -5.240 -12.455 1.00 0.00 H new ATOM 0 HH22 ARG A 74 95.458 -5.241 -13.888 1.00 0.00 H new ATOM 1217 N GLY A 75 104.962 -7.796 -14.511 1.00 0.00 N ATOM 1218 CA GLY A 75 106.126 -8.240 -15.281 1.00 0.00 C ATOM 1219 C GLY A 75 107.371 -8.331 -14.402 1.00 0.00 C ATOM 1220 O GLY A 75 108.495 -8.223 -14.898 1.00 0.00 O ATOM 0 H GLY A 75 104.311 -8.541 -14.263 1.00 0.00 H new ATOM 0 HA2 GLY A 75 105.920 -9.214 -15.726 1.00 0.00 H new ATOM 0 HA3 GLY A 75 106.308 -7.546 -16.102 1.00 0.00 H new ATOM 1224 N GLY A 76 107.157 -8.517 -13.097 1.00 0.00 N ATOM 1225 CA GLY A 76 108.256 -8.612 -12.145 1.00 0.00 C ATOM 1226 C GLY A 76 108.754 -10.047 -12.037 1.00 0.00 C ATOM 1227 O GLY A 76 108.798 -10.718 -13.056 1.00 0.00 O ATOM 1228 OXT GLY A 76 109.086 -10.457 -10.937 1.00 0.00 O ATOM 0 H GLY A 76 106.230 -8.604 -12.680 1.00 0.00 H new ATOM 0 HA2 GLY A 76 109.072 -7.961 -12.459 1.00 0.00 H new ATOM 0 HA3 GLY A 76 107.927 -8.262 -11.167 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 116.571 -17.357 -3.775 1.00 0.00 N ATOM 1234 CA GLN B 198 116.001 -16.357 -2.831 1.00 0.00 C ATOM 1235 C GLN B 198 115.446 -15.181 -3.625 1.00 0.00 C ATOM 1236 O GLN B 198 116.199 -14.434 -4.258 1.00 0.00 O ATOM 1237 CB GLN B 198 117.096 -15.881 -1.871 1.00 0.00 C ATOM 1238 CG GLN B 198 117.508 -17.027 -0.935 1.00 0.00 C ATOM 1239 CD GLN B 198 118.627 -16.577 0.008 1.00 0.00 C ATOM 1240 OE1 GLN B 198 119.047 -15.415 -0.013 1.00 0.00 O ATOM 1241 NE2 GLN B 198 119.140 -17.435 0.848 1.00 0.00 N ATOM 0 HA GLN B 198 115.196 -16.808 -2.251 1.00 0.00 H new ATOM 0 HB2 GLN B 198 117.961 -15.533 -2.436 1.00 0.00 H new ATOM 0 HB3 GLN B 198 116.736 -15.034 -1.286 1.00 0.00 H new ATOM 0 HG2 GLN B 198 116.647 -17.357 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN B 198 117.842 -17.882 -1.523 1.00 0.00 H new ATOM 0 HE21 GLN B 198 118.797 -18.395 0.869 1.00 0.00 H new ATOM 0 HE22 GLN B 198 119.884 -17.145 1.483 1.00 0.00 H new ATOM 1250 N VAL B 199 114.122 -15.026 -3.589 1.00 0.00 N ATOM 1251 CA VAL B 199 113.450 -13.946 -4.306 1.00 0.00 C ATOM 1252 C VAL B 199 112.823 -12.974 -3.309 1.00 0.00 C ATOM 1253 O VAL B 199 112.610 -13.322 -2.143 1.00 0.00 O ATOM 1254 CB VAL B 199 112.362 -14.510 -5.242 1.00 0.00 C ATOM 1255 CG1 VAL B 199 113.002 -15.371 -6.337 1.00 0.00 C ATOM 1256 CG2 VAL B 199 111.371 -15.369 -4.446 1.00 0.00 C ATOM 0 H VAL B 199 113.493 -15.638 -3.069 1.00 0.00 H new ATOM 0 HA VAL B 199 114.188 -13.418 -4.910 1.00 0.00 H new ATOM 0 HB VAL B 199 111.834 -13.673 -5.698 1.00 0.00 H new ATOM 0 HG11 VAL B 199 112.224 -15.764 -6.992 1.00 0.00 H new ATOM 0 HG12 VAL B 199 113.694 -14.763 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL B 199 113.543 -16.199 -5.879 1.00 0.00 H new ATOM 0 HG21 VAL B 199 110.608 -15.761 -5.118 1.00 0.00 H new ATOM 0 HG22 VAL B 199 111.902 -16.197 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL B 199 110.898 -14.759 -3.676 1.00 0.00 H new ATOM 1266 N THR B 200 112.538 -11.762 -3.779 1.00 0.00 N ATOM 1267 CA THR B 200 111.942 -10.730 -2.933 1.00 0.00 C ATOM 1268 C THR B 200 110.579 -11.186 -2.426 1.00 0.00 C ATOM 1269 O THR B 200 109.781 -11.747 -3.181 1.00 0.00 O ATOM 1270 CB THR B 200 111.789 -9.428 -3.728 1.00 0.00 C ATOM 1271 OG1 THR B 200 113.011 -9.136 -4.390 1.00 0.00 O ATOM 1272 CG2 THR B 200 111.434 -8.277 -2.781 1.00 0.00 C ATOM 0 H THR B 200 112.710 -11.470 -4.741 1.00 0.00 H new ATOM 0 HA THR B 200 112.597 -10.556 -2.079 1.00 0.00 H new ATOM 0 HB THR B 200 110.992 -9.546 -4.462 1.00 0.00 H new ATOM 0 HG1 THR B 200 112.916 -8.305 -4.901 1.00 0.00 H new ATOM 0 HG21 THR B 200 111.327 -7.355 -3.353 1.00 0.00 H new ATOM 0 HG22 THR B 200 110.496 -8.500 -2.273 1.00 0.00 H new ATOM 0 HG23 THR B 200 112.227 -8.156 -2.043 1.00 0.00 H new ATOM 1280 N LYS B 201 110.326 -10.937 -1.141 1.00 0.00 N ATOM 1281 CA LYS B 201 109.061 -11.312 -0.522 1.00 0.00 C ATOM 1282 C LYS B 201 108.572 -10.203 0.400 1.00 0.00 C ATOM 1283 O LYS B 201 109.366 -9.421 0.927 1.00 0.00 O ATOM 1284 CB LYS B 201 109.223 -12.617 0.256 1.00 0.00 C ATOM 1285 CG LYS B 201 109.450 -13.766 -0.730 1.00 0.00 C ATOM 1286 CD LYS B 201 109.651 -15.071 0.041 1.00 0.00 C ATOM 1287 CE LYS B 201 109.881 -16.216 -0.944 1.00 0.00 C ATOM 1288 NZ LYS B 201 110.083 -17.484 -0.190 1.00 0.00 N ATOM 0 H LYS B 201 110.983 -10.477 -0.511 1.00 0.00 H new ATOM 0 HA LYS B 201 108.319 -11.461 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.064 -12.542 0.945 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.334 -12.808 0.858 1.00 0.00 H new ATOM 0 HG2 LYS B 201 108.596 -13.856 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.323 -13.560 -1.350 1.00 0.00 H new ATOM 0 HD2 LYS B 201 110.503 -14.980 0.714 1.00 0.00 H new ATOM 0 HD3 LYS B 201 108.777 -15.279 0.659 1.00 0.00 H new ATOM 0 HE2 LYS B 201 109.027 -16.311 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS B 201 110.752 -16.007 -1.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 110.240 -18.265 -0.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 110.911 -17.390 0.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 109.239 -17.685 0.384 1.00 0.00 H new ATOM 1302 N VAL B 202 107.255 -10.150 0.584 1.00 0.00 N ATOM 1303 CA VAL B 202 106.632 -9.143 1.443 1.00 0.00 C ATOM 1304 C VAL B 202 105.485 -9.760 2.233 1.00 0.00 C ATOM 1305 O VAL B 202 104.699 -10.542 1.690 1.00 0.00 O ATOM 1306 CB VAL B 202 106.125 -7.956 0.609 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.314 -7.240 -0.042 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.161 -8.443 -0.485 1.00 0.00 C ATOM 0 H VAL B 202 106.595 -10.795 0.148 1.00 0.00 H new ATOM 0 HA VAL B 202 107.383 -8.776 2.142 1.00 0.00 H new ATOM 0 HB VAL B 202 105.595 -7.267 1.267 1.00 0.00 H new ATOM 0 HG11 VAL B 202 106.953 -6.398 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL B 202 107.988 -6.876 0.733 1.00 0.00 H new ATOM 0 HG13 VAL B 202 107.848 -7.936 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL B 202 104.811 -7.591 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL B 202 105.679 -9.142 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.309 -8.942 -0.023 1.00 0.00 H new ATOM 1318 N ASP B 203 105.409 -9.411 3.514 1.00 0.00 N ATOM 1319 CA ASP B 203 104.368 -9.937 4.394 1.00 0.00 C ATOM 1320 C ASP B 203 103.015 -9.309 4.071 1.00 0.00 C ATOM 1321 O ASP B 203 102.953 -8.156 3.637 1.00 0.00 O ATOM 1322 CB ASP B 203 104.733 -9.647 5.851 1.00 0.00 C ATOM 1323 CG ASP B 203 103.809 -10.417 6.788 1.00 0.00 C ATOM 1324 OD1 ASP B 203 103.617 -11.599 6.559 1.00 0.00 O ATOM 1325 OD2 ASP B 203 103.307 -9.811 7.721 1.00 0.00 O ATOM 0 H ASP B 203 106.056 -8.766 3.967 1.00 0.00 H new ATOM 0 HA ASP B 203 104.296 -11.013 4.239 1.00 0.00 H new ATOM 0 HB2 ASP B 203 105.769 -9.929 6.037 1.00 0.00 H new ATOM 0 HB3 ASP B 203 104.654 -8.578 6.048 1.00 0.00 H new ATOM 1330 N CYS B 204 101.934 -10.066 4.308 1.00 0.00 N ATOM 1331 CA CYS B 204 100.587 -9.543 4.049 1.00 0.00 C ATOM 1332 C CYS B 204 100.050 -8.810 5.302 1.00 0.00 C ATOM 1333 O CYS B 204 99.979 -9.410 6.367 1.00 0.00 O ATOM 1334 CB CYS B 204 99.616 -10.662 3.666 1.00 0.00 C ATOM 1335 SG CYS B 204 97.982 -9.962 3.276 1.00 0.00 S ATOM 0 H CYS B 204 101.963 -11.019 4.670 1.00 0.00 H new ATOM 0 HA CYS B 204 100.660 -8.846 3.214 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.001 -11.210 2.806 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.529 -11.375 4.485 1.00 0.00 H new ATOM 1340 N PRO B 205 99.664 -7.536 5.215 1.00 0.00 N ATOM 1341 CA PRO B 205 99.138 -6.778 6.406 1.00 0.00 C ATOM 1342 C PRO B 205 97.735 -7.252 6.838 1.00 0.00 C ATOM 1343 O PRO B 205 97.251 -6.894 7.914 1.00 0.00 O ATOM 1344 CB PRO B 205 99.096 -5.323 5.927 1.00 0.00 C ATOM 1345 CG PRO B 205 99.011 -5.381 4.437 1.00 0.00 C ATOM 1346 CD PRO B 205 99.680 -6.680 4.004 1.00 0.00 C ATOM 0 HA PRO B 205 99.766 -6.927 7.285 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.237 -4.799 6.346 1.00 0.00 H new ATOM 0 HB3 PRO B 205 99.987 -4.782 6.246 1.00 0.00 H new ATOM 0 HG2 PRO B 205 97.972 -5.354 4.108 1.00 0.00 H new ATOM 0 HG3 PRO B 205 99.510 -4.522 3.988 1.00 0.00 H new ATOM 0 HD2 PRO B 205 99.140 -7.148 3.181 1.00 0.00 H new ATOM 0 HD3 PRO B 205 100.698 -6.504 3.657 1.00 0.00 H new ATOM 1354 N VAL B 206 97.097 -8.033 5.966 1.00 0.00 N ATOM 1355 CA VAL B 206 95.743 -8.549 6.194 1.00 0.00 C ATOM 1356 C VAL B 206 95.761 -9.850 6.970 1.00 0.00 C ATOM 1357 O VAL B 206 95.030 -10.021 7.949 1.00 0.00 O ATOM 1358 CB VAL B 206 95.084 -8.878 4.835 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.610 -9.283 5.025 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.177 -7.696 3.866 1.00 0.00 C ATOM 0 H VAL B 206 97.504 -8.328 5.078 1.00 0.00 H new ATOM 0 HA VAL B 206 95.202 -7.783 6.750 1.00 0.00 H new ATOM 0 HB VAL B 206 95.630 -9.717 4.405 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.167 -9.510 4.055 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.554 -10.164 5.664 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.064 -8.462 5.490 1.00 0.00 H new ATOM 0 HG21 VAL B 206 94.704 -7.962 2.921 1.00 0.00 H new ATOM 0 HG22 VAL B 206 94.669 -6.833 4.296 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.224 -7.451 3.691 1.00 0.00 H new ATOM 1370 N CYS B 207 96.537 -10.790 6.450 1.00 0.00 N ATOM 1371 CA CYS B 207 96.596 -12.123 7.003 1.00 0.00 C ATOM 1372 C CYS B 207 97.995 -12.501 7.486 1.00 0.00 C ATOM 1373 O CYS B 207 98.160 -13.513 8.170 1.00 0.00 O ATOM 1374 CB CYS B 207 96.092 -13.075 5.912 1.00 0.00 C ATOM 1375 SG CYS B 207 97.364 -13.359 4.644 1.00 0.00 S ATOM 0 H CYS B 207 97.137 -10.646 5.638 1.00 0.00 H new ATOM 0 HA CYS B 207 95.971 -12.185 7.894 1.00 0.00 H new ATOM 0 HB2 CYS B 207 95.804 -14.026 6.361 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.199 -12.658 5.447 1.00 0.00 H new ATOM 1380 N GLY B 208 98.989 -11.695 7.119 1.00 0.00 N ATOM 1381 CA GLY B 208 100.360 -11.962 7.518 1.00 0.00 C ATOM 1382 C GLY B 208 100.832 -13.300 6.979 1.00 0.00 C ATOM 1383 O GLY B 208 100.939 -14.274 7.724 1.00 0.00 O ATOM 0 H GLY B 208 98.867 -10.858 6.549 1.00 0.00 H new ATOM 0 HA2 GLY B 208 101.011 -11.168 7.151 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.434 -11.957 8.606 1.00 0.00 H new ATOM 1387 N VAL B 209 101.114 -13.329 5.677 1.00 0.00 N ATOM 1388 CA VAL B 209 101.592 -14.537 5.016 1.00 0.00 C ATOM 1389 C VAL B 209 102.767 -14.179 4.108 1.00 0.00 C ATOM 1390 O VAL B 209 102.735 -13.164 3.405 1.00 0.00 O ATOM 1391 CB VAL B 209 100.450 -15.194 4.217 1.00 0.00 C ATOM 1392 CG1 VAL B 209 100.971 -16.360 3.365 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.401 -15.728 5.193 1.00 0.00 C ATOM 0 H VAL B 209 101.018 -12.524 5.058 1.00 0.00 H new ATOM 0 HA VAL B 209 101.931 -15.257 5.761 1.00 0.00 H new ATOM 0 HB VAL B 209 100.016 -14.444 3.555 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.144 -16.805 2.812 1.00 0.00 H new ATOM 0 HG12 VAL B 209 101.720 -15.992 2.664 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.420 -17.112 4.014 1.00 0.00 H new ATOM 0 HG21 VAL B 209 98.589 -16.195 4.635 1.00 0.00 H new ATOM 0 HG22 VAL B 209 99.859 -16.465 5.852 1.00 0.00 H new ATOM 0 HG23 VAL B 209 99.006 -14.905 5.789 1.00 0.00 H new ATOM 1403 N ASN B 210 103.787 -15.037 4.117 1.00 0.00 N ATOM 1404 CA ASN B 210 104.960 -14.827 3.282 1.00 0.00 C ATOM 1405 C ASN B 210 104.565 -15.019 1.833 1.00 0.00 C ATOM 1406 O ASN B 210 104.054 -16.079 1.460 1.00 0.00 O ATOM 1407 CB ASN B 210 106.060 -15.811 3.664 1.00 0.00 C ATOM 1408 CG ASN B 210 106.936 -15.214 4.755 1.00 0.00 C ATOM 1409 OD1 ASN B 210 106.810 -15.581 5.924 1.00 0.00 O ATOM 1410 ND2 ASN B 210 107.819 -14.310 4.442 1.00 0.00 N ATOM 0 H ASN B 210 103.821 -15.879 4.692 1.00 0.00 H new ATOM 0 HA ASN B 210 105.341 -13.816 3.428 1.00 0.00 H new ATOM 0 HB2 ASN B 210 105.619 -16.745 4.011 1.00 0.00 H new ATOM 0 HB3 ASN B 210 106.666 -16.050 2.790 1.00 0.00 H new ATOM 0 HD21 ASN B 210 108.410 -13.902 5.166 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.920 -14.009 3.472 1.00 0.00 H new ATOM 1417 N ILE B 211 104.787 -13.983 1.021 1.00 0.00 N ATOM 1418 CA ILE B 211 104.427 -14.051 -0.392 1.00 0.00 C ATOM 1419 C ILE B 211 105.383 -13.194 -1.243 1.00 0.00 C ATOM 1420 O ILE B 211 105.741 -12.089 -0.823 1.00 0.00 O ATOM 1421 CB ILE B 211 102.971 -13.567 -0.612 1.00 0.00 C ATOM 1422 CG1 ILE B 211 101.998 -14.395 0.252 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.579 -13.735 -2.094 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.634 -13.712 0.325 1.00 0.00 C ATOM 0 H ILE B 211 105.208 -13.101 1.314 1.00 0.00 H new ATOM 0 HA ILE B 211 104.509 -15.092 -0.703 1.00 0.00 H new ATOM 0 HB ILE B 211 102.911 -12.516 -0.328 1.00 0.00 H new ATOM 0 HG12 ILE B 211 101.889 -15.394 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.406 -14.515 1.256 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.555 -13.393 -2.240 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.251 -13.145 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.654 -14.786 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE B 211 99.960 -14.310 0.938 1.00 0.00 H new ATOM 0 HD12 ILE B 211 100.746 -12.722 0.768 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.221 -13.616 -0.679 1.00 0.00 H new ATOM 1436 N PRO B 212 105.774 -13.648 -2.439 1.00 0.00 N ATOM 1437 CA PRO B 212 106.662 -12.850 -3.334 1.00 0.00 C ATOM 1438 C PRO B 212 106.060 -11.477 -3.614 1.00 0.00 C ATOM 1439 O PRO B 212 104.843 -11.295 -3.508 1.00 0.00 O ATOM 1440 CB PRO B 212 106.757 -13.685 -4.618 1.00 0.00 C ATOM 1441 CG PRO B 212 106.411 -15.074 -4.216 1.00 0.00 C ATOM 1442 CD PRO B 212 105.440 -14.957 -3.059 1.00 0.00 C ATOM 0 HA PRO B 212 107.640 -12.662 -2.891 1.00 0.00 H new ATOM 0 HB2 PRO B 212 106.070 -13.314 -5.379 1.00 0.00 H new ATOM 0 HB3 PRO B 212 107.759 -13.638 -5.043 1.00 0.00 H new ATOM 0 HG2 PRO B 212 105.961 -15.618 -5.047 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.303 -15.626 -3.920 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.406 -14.984 -3.402 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.562 -15.777 -2.351 1.00 0.00 H new ATOM 1450 N GLU B 213 106.919 -10.516 -3.965 1.00 0.00 N ATOM 1451 CA GLU B 213 106.463 -9.154 -4.254 1.00 0.00 C ATOM 1452 C GLU B 213 105.585 -9.120 -5.509 1.00 0.00 C ATOM 1453 O GLU B 213 104.867 -8.145 -5.737 1.00 0.00 O ATOM 1454 CB GLU B 213 107.668 -8.226 -4.431 1.00 0.00 C ATOM 1455 CG GLU B 213 107.190 -6.765 -4.514 1.00 0.00 C ATOM 1456 CD GLU B 213 108.371 -5.791 -4.620 1.00 0.00 C ATOM 1457 OE1 GLU B 213 109.463 -6.217 -4.975 1.00 0.00 O ATOM 1458 OE2 GLU B 213 108.164 -4.624 -4.333 1.00 0.00 O ATOM 0 H GLU B 213 107.926 -10.654 -4.055 1.00 0.00 H new ATOM 0 HA GLU B 213 105.863 -8.810 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.358 -8.346 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU B 213 108.214 -8.492 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU B 213 106.538 -6.643 -5.379 1.00 0.00 H new ATOM 0 HG3 GLU B 213 106.597 -6.525 -3.632 1.00 0.00 H new ATOM 1465 N SER B 214 105.653 -10.182 -6.313 1.00 0.00 N ATOM 1466 CA SER B 214 104.861 -10.274 -7.533 1.00 0.00 C ATOM 1467 C SER B 214 103.476 -10.866 -7.247 1.00 0.00 C ATOM 1468 O SER B 214 102.465 -10.363 -7.740 1.00 0.00 O ATOM 1469 CB SER B 214 105.588 -11.154 -8.551 1.00 0.00 C ATOM 1470 OG SER B 214 106.811 -10.532 -8.923 1.00 0.00 O ATOM 0 H SER B 214 106.250 -10.990 -6.138 1.00 0.00 H new ATOM 0 HA SER B 214 104.732 -9.269 -7.934 1.00 0.00 H new ATOM 0 HB2 SER B 214 105.782 -12.138 -8.125 1.00 0.00 H new ATOM 0 HB3 SER B 214 104.962 -11.306 -9.430 1.00 0.00 H new ATOM 0 HG SER B 214 107.153 -10.946 -9.743 1.00 0.00 H new ATOM 1476 N HIS B 215 103.445 -11.936 -6.450 1.00 0.00 N ATOM 1477 CA HIS B 215 102.188 -12.605 -6.096 1.00 0.00 C ATOM 1478 C HIS B 215 101.367 -11.799 -5.090 1.00 0.00 C ATOM 1479 O HIS B 215 100.234 -12.175 -4.779 1.00 0.00 O ATOM 1480 CB HIS B 215 102.496 -13.983 -5.495 1.00 0.00 C ATOM 1481 CG HIS B 215 102.923 -14.932 -6.580 1.00 0.00 C ATOM 1482 ND1 HIS B 215 104.229 -14.997 -7.037 1.00 0.00 N ATOM 1483 CD2 HIS B 215 102.220 -15.851 -7.313 1.00 0.00 C ATOM 1484 CE1 HIS B 215 104.272 -15.928 -8.007 1.00 0.00 C ATOM 1485 NE2 HIS B 215 103.073 -16.479 -8.215 1.00 0.00 N ATOM 0 H HIS B 215 104.276 -12.359 -6.036 1.00 0.00 H new ATOM 0 HA HIS B 215 101.601 -12.701 -7.009 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.284 -13.895 -4.747 1.00 0.00 H new ATOM 0 HB3 HIS B 215 101.614 -14.372 -4.986 1.00 0.00 H new ATOM 0 HD2 HIS B 215 101.165 -16.057 -7.207 1.00 0.00 H new ATOM 0 HE1 HIS B 215 105.166 -16.197 -8.551 1.00 0.00 H new ATOM 0 HE2 HIS B 215 102.834 -17.205 -8.891 1.00 0.00 H new ATOM 1493 N ILE B 216 101.942 -10.707 -4.574 1.00 0.00 N ATOM 1494 CA ILE B 216 101.260 -9.873 -3.597 1.00 0.00 C ATOM 1495 C ILE B 216 100.025 -9.205 -4.201 1.00 0.00 C ATOM 1496 O ILE B 216 99.008 -9.050 -3.525 1.00 0.00 O ATOM 1497 CB ILE B 216 102.235 -8.812 -3.039 1.00 0.00 C ATOM 1498 CG1 ILE B 216 101.592 -8.105 -1.831 1.00 0.00 C ATOM 1499 CG2 ILE B 216 102.591 -7.773 -4.118 1.00 0.00 C ATOM 1500 CD1 ILE B 216 101.553 -9.052 -0.621 1.00 0.00 C ATOM 0 H ILE B 216 102.878 -10.386 -4.821 1.00 0.00 H new ATOM 0 HA ILE B 216 100.922 -10.510 -2.780 1.00 0.00 H new ATOM 0 HB ILE B 216 103.151 -9.313 -2.728 1.00 0.00 H new ATOM 0 HG12 ILE B 216 102.158 -7.208 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE B 216 100.581 -7.784 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE B 216 103.278 -7.037 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE B 216 103.064 -8.273 -4.963 1.00 0.00 H new ATOM 0 HG23 ILE B 216 101.683 -7.272 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE B 216 101.096 -8.541 0.227 1.00 0.00 H new ATOM 0 HD12 ILE B 216 100.967 -9.937 -0.870 1.00 0.00 H new ATOM 0 HD13 ILE B 216 102.568 -9.351 -0.360 1.00 0.00 H new ATOM 1512 N ASN B 217 100.135 -8.796 -5.468 1.00 0.00 N ATOM 1513 CA ASN B 217 99.028 -8.129 -6.144 1.00 0.00 C ATOM 1514 C ASN B 217 97.828 -9.060 -6.255 1.00 0.00 C ATOM 1515 O ASN B 217 96.714 -8.694 -5.874 1.00 0.00 O ATOM 1516 CB ASN B 217 99.471 -7.683 -7.545 1.00 0.00 C ATOM 1517 CG ASN B 217 100.477 -6.533 -7.447 1.00 0.00 C ATOM 1518 OD1 ASN B 217 100.506 -5.802 -6.453 1.00 0.00 O ATOM 1519 ND2 ASN B 217 101.314 -6.330 -8.427 1.00 0.00 N ATOM 0 H ASN B 217 100.972 -8.915 -6.038 1.00 0.00 H new ATOM 0 HA ASN B 217 98.737 -7.257 -5.559 1.00 0.00 H new ATOM 0 HB2 ASN B 217 99.920 -8.523 -8.076 1.00 0.00 H new ATOM 0 HB3 ASN B 217 98.603 -7.367 -8.124 1.00 0.00 H new ATOM 0 HD21 ASN B 217 101.990 -5.569 -8.371 1.00 0.00 H new ATOM 0 HD22 ASN B 217 101.292 -6.933 -9.250 1.00 0.00 H new ATOM 1526 N LYS B 218 98.073 -10.271 -6.754 1.00 0.00 N ATOM 1527 CA LYS B 218 97.012 -11.265 -6.890 1.00 0.00 C ATOM 1528 C LYS B 218 96.509 -11.684 -5.513 1.00 0.00 C ATOM 1529 O LYS B 218 95.300 -11.817 -5.302 1.00 0.00 O ATOM 1530 CB LYS B 218 97.519 -12.493 -7.651 1.00 0.00 C ATOM 1531 CG LYS B 218 96.355 -13.460 -7.908 1.00 0.00 C ATOM 1532 CD LYS B 218 96.853 -14.655 -8.719 1.00 0.00 C ATOM 1533 CE LYS B 218 95.690 -15.606 -8.985 1.00 0.00 C ATOM 1534 NZ LYS B 218 96.176 -16.767 -9.781 1.00 0.00 N ATOM 0 H LYS B 218 98.991 -10.585 -7.069 1.00 0.00 H new ATOM 0 HA LYS B 218 96.192 -10.819 -7.452 1.00 0.00 H new ATOM 0 HB2 LYS B 218 97.966 -12.187 -8.597 1.00 0.00 H new ATOM 0 HB3 LYS B 218 98.299 -12.992 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS B 218 95.935 -13.800 -6.961 1.00 0.00 H new ATOM 0 HG3 LYS B 218 95.556 -12.949 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS B 218 97.283 -14.315 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS B 218 97.644 -15.173 -8.176 1.00 0.00 H new ATOM 0 HE2 LYS B 218 95.263 -15.950 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS B 218 94.897 -15.087 -9.524 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 95.386 -17.418 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 96.564 -16.430 -10.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 96.919 -17.265 -9.250 1.00 0.00 H new ATOM 1548 N HIS B 219 97.450 -11.903 -4.595 1.00 0.00 N ATOM 1549 CA HIS B 219 97.100 -12.323 -3.243 1.00 0.00 C ATOM 1550 C HIS B 219 96.164 -11.302 -2.590 1.00 0.00 C ATOM 1551 O HIS B 219 95.283 -11.687 -1.822 1.00 0.00 O ATOM 1552 CB HIS B 219 98.359 -12.526 -2.376 1.00 0.00 C ATOM 1553 CG HIS B 219 97.935 -12.804 -0.951 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.433 -14.029 -0.543 1.00 0.00 N ATOM 1555 CD2 HIS B 219 97.855 -11.981 0.138 1.00 0.00 C ATOM 1556 CE1 HIS B 219 97.067 -13.903 0.748 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.308 -12.671 1.208 1.00 0.00 N ATOM 0 H HIS B 219 98.451 -11.797 -4.762 1.00 0.00 H new ATOM 0 HA HIS B 219 96.583 -13.280 -3.315 1.00 0.00 H new ATOM 0 HB2 HIS B 219 98.952 -13.356 -2.761 1.00 0.00 H new ATOM 0 HB3 HIS B 219 98.990 -11.638 -2.415 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.355 -14.871 -1.114 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.171 -10.948 0.161 1.00 0.00 H new ATOM 0 HE1 HIS B 219 96.633 -14.698 1.337 1.00 0.00 H new ATOM 1564 N LEU B 220 96.372 -10.019 -2.868 1.00 0.00 N ATOM 1565 CA LEU B 220 95.538 -8.981 -2.270 1.00 0.00 C ATOM 1566 C LEU B 220 94.081 -9.186 -2.664 1.00 0.00 C ATOM 1567 O LEU B 220 93.180 -8.993 -1.845 1.00 0.00 O ATOM 1568 CB LEU B 220 96.011 -7.592 -2.712 1.00 0.00 C ATOM 1569 CG LEU B 220 97.235 -7.170 -1.888 1.00 0.00 C ATOM 1570 CD1 LEU B 220 97.920 -5.986 -2.568 1.00 0.00 C ATOM 1571 CD2 LEU B 220 96.795 -6.754 -0.476 1.00 0.00 C ATOM 0 H LEU B 220 97.100 -9.676 -3.494 1.00 0.00 H new ATOM 0 HA LEU B 220 95.625 -9.050 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.262 -7.604 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.208 -6.867 -2.583 1.00 0.00 H new ATOM 0 HG LEU B 220 97.927 -8.009 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU B 220 98.790 -5.685 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.238 -6.276 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.222 -5.152 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU B 220 97.668 -6.456 0.104 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.101 -5.917 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.304 -7.594 0.014 1.00 0.00 H new ATOM 1583 N ASP B 221 93.863 -9.583 -3.915 1.00 0.00 N ATOM 1584 CA ASP B 221 92.517 -9.828 -4.417 1.00 0.00 C ATOM 1585 C ASP B 221 91.876 -11.020 -3.699 1.00 0.00 C ATOM 1586 O ASP B 221 90.675 -11.016 -3.431 1.00 0.00 O ATOM 1587 CB ASP B 221 92.574 -10.108 -5.919 1.00 0.00 C ATOM 1588 CG ASP B 221 91.172 -10.046 -6.520 1.00 0.00 C ATOM 1589 OD1 ASP B 221 90.248 -10.524 -5.878 1.00 0.00 O ATOM 1590 OD2 ASP B 221 91.041 -9.518 -7.611 1.00 0.00 O ATOM 0 H ASP B 221 94.603 -9.742 -4.599 1.00 0.00 H new ATOM 0 HA ASP B 221 91.911 -8.942 -4.228 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.220 -9.379 -6.408 1.00 0.00 H new ATOM 0 HB3 ASP B 221 93.011 -11.091 -6.097 1.00 0.00 H new ATOM 1595 N SER B 222 92.693 -12.036 -3.390 1.00 0.00 N ATOM 1596 CA SER B 222 92.207 -13.239 -2.701 1.00 0.00 C ATOM 1597 C SER B 222 91.978 -12.970 -1.211 1.00 0.00 C ATOM 1598 O SER B 222 90.994 -13.437 -0.631 1.00 0.00 O ATOM 1599 CB SER B 222 93.225 -14.371 -2.860 1.00 0.00 C ATOM 1600 OG SER B 222 94.473 -13.961 -2.318 1.00 0.00 O ATOM 0 H SER B 222 93.690 -12.049 -3.605 1.00 0.00 H new ATOM 0 HA SER B 222 91.256 -13.525 -3.151 1.00 0.00 H new ATOM 0 HB2 SER B 222 92.871 -15.267 -2.351 1.00 0.00 H new ATOM 0 HB3 SER B 222 93.340 -14.627 -3.913 1.00 0.00 H new ATOM 0 HG SER B 222 94.536 -12.983 -2.345 1.00 0.00 H new ATOM 1606 N CYS B 223 92.901 -12.224 -0.605 1.00 0.00 N ATOM 1607 CA CYS B 223 92.828 -11.881 0.817 1.00 0.00 C ATOM 1608 C CYS B 223 91.643 -10.960 1.093 1.00 0.00 C ATOM 1609 O CYS B 223 90.889 -11.164 2.050 1.00 0.00 O ATOM 1610 CB CYS B 223 94.131 -11.186 1.231 1.00 0.00 C ATOM 1611 SG CYS B 223 94.495 -11.541 2.972 1.00 0.00 S ATOM 0 H CYS B 223 93.717 -11.841 -1.082 1.00 0.00 H new ATOM 0 HA CYS B 223 92.691 -12.795 1.395 1.00 0.00 H new ATOM 0 HB2 CYS B 223 94.952 -11.529 0.602 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.043 -10.110 1.081 1.00 0.00 H new ATOM 1616 N LEU B 224 91.493 -9.947 0.245 1.00 0.00 N ATOM 1617 CA LEU B 224 90.404 -8.983 0.378 1.00 0.00 C ATOM 1618 C LEU B 224 89.054 -9.658 0.147 1.00 0.00 C ATOM 1619 O LEU B 224 88.080 -9.363 0.844 1.00 0.00 O ATOM 1620 CB LEU B 224 90.604 -7.834 -0.614 1.00 0.00 C ATOM 1621 CG LEU B 224 91.813 -6.991 -0.181 1.00 0.00 C ATOM 1622 CD1 LEU B 224 92.246 -6.086 -1.336 1.00 0.00 C ATOM 1623 CD2 LEU B 224 91.441 -6.115 1.023 1.00 0.00 C ATOM 0 H LEU B 224 92.114 -9.771 -0.545 1.00 0.00 H new ATOM 0 HA LEU B 224 90.413 -8.583 1.392 1.00 0.00 H new ATOM 0 HB2 LEU B 224 90.763 -8.229 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU B 224 89.709 -7.213 -0.653 1.00 0.00 H new ATOM 0 HG LEU B 224 92.628 -7.661 0.094 1.00 0.00 H new ATOM 0 HD11 LEU B 224 93.104 -5.488 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU B 224 92.520 -6.698 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU B 224 91.423 -5.426 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU B 224 92.305 -5.522 1.322 1.00 0.00 H new ATOM 0 HD22 LEU B 224 90.621 -5.451 0.750 1.00 0.00 H new ATOM 0 HD23 LEU B 224 91.132 -6.750 1.853 1.00 0.00 H new ATOM 1635 N SER B 225 89.008 -10.568 -0.832 1.00 0.00 N ATOM 1636 CA SER B 225 87.774 -11.286 -1.152 1.00 0.00 C ATOM 1637 C SER B 225 87.225 -11.996 0.080 1.00 0.00 C ATOM 1638 O SER B 225 86.012 -11.997 0.314 1.00 0.00 O ATOM 1639 CB SER B 225 88.037 -12.319 -2.252 1.00 0.00 C ATOM 1640 OG SER B 225 88.252 -11.656 -3.490 1.00 0.00 O ATOM 0 H SER B 225 89.807 -10.822 -1.412 1.00 0.00 H new ATOM 0 HA SER B 225 87.040 -10.558 -1.498 1.00 0.00 H new ATOM 0 HB2 SER B 225 88.907 -12.923 -1.996 1.00 0.00 H new ATOM 0 HB3 SER B 225 87.190 -13.000 -2.335 1.00 0.00 H new ATOM 0 HG SER B 225 89.193 -11.745 -3.750 1.00 0.00 H new ATOM 1646 N ARG B 226 88.124 -12.586 0.874 1.00 0.00 N ATOM 1647 CA ARG B 226 87.720 -13.294 2.089 1.00 0.00 C ATOM 1648 C ARG B 226 86.918 -12.371 2.994 1.00 0.00 C ATOM 1649 O ARG B 226 85.875 -12.761 3.525 1.00 0.00 O ATOM 1650 CB ARG B 226 88.960 -13.797 2.839 1.00 0.00 C ATOM 1651 CG ARG B 226 89.571 -14.992 2.099 1.00 0.00 C ATOM 1652 CD ARG B 226 90.850 -15.445 2.807 1.00 0.00 C ATOM 1653 NE ARG B 226 91.376 -16.649 2.155 1.00 0.00 N ATOM 1654 CZ ARG B 226 92.162 -16.599 1.064 1.00 0.00 C ATOM 1655 NH1 ARG B 226 92.509 -15.456 0.515 1.00 0.00 N ATOM 1656 NH2 ARG B 226 92.593 -17.711 0.539 1.00 0.00 N ATOM 0 H ARG B 226 89.129 -12.587 0.698 1.00 0.00 H new ATOM 0 HA ARG B 226 87.099 -14.144 1.807 1.00 0.00 H new ATOM 0 HB2 ARG B 226 89.695 -12.996 2.922 1.00 0.00 H new ATOM 0 HB3 ARG B 226 88.688 -14.087 3.854 1.00 0.00 H new ATOM 0 HG2 ARG B 226 88.855 -15.813 2.063 1.00 0.00 H new ATOM 0 HG3 ARG B 226 89.794 -14.717 1.068 1.00 0.00 H new ATOM 0 HD2 ARG B 226 91.594 -14.649 2.778 1.00 0.00 H new ATOM 0 HD3 ARG B 226 90.643 -15.650 3.857 1.00 0.00 H new ATOM 0 HE ARG B 226 91.136 -17.561 2.544 1.00 0.00 H new ATOM 0 HH11 ARG B 226 92.181 -14.577 0.916 1.00 0.00 H new ATOM 0 HH12 ARG B 226 93.106 -15.448 -0.312 1.00 0.00 H new ATOM 0 HH21 ARG B 226 92.334 -18.605 0.955 1.00 0.00 H new ATOM 0 HH22 ARG B 226 93.189 -17.687 -0.288 1.00 0.00 H new ATOM 1670 N GLU B 227 87.423 -11.149 3.157 1.00 0.00 N ATOM 1671 CA GLU B 227 86.768 -10.156 4.000 1.00 0.00 C ATOM 1672 C GLU B 227 85.374 -9.836 3.467 1.00 0.00 C ATOM 1673 O GLU B 227 84.427 -9.702 4.246 1.00 0.00 O ATOM 1674 CB GLU B 227 87.608 -8.882 4.045 1.00 0.00 C ATOM 1675 CG GLU B 227 87.044 -7.933 5.113 1.00 0.00 C ATOM 1676 CD GLU B 227 87.925 -6.686 5.270 1.00 0.00 C ATOM 1677 OE1 GLU B 227 88.736 -6.417 4.393 1.00 0.00 O ATOM 1678 OE2 GLU B 227 87.775 -6.018 6.279 1.00 0.00 O ATOM 0 H GLU B 227 88.284 -10.825 2.716 1.00 0.00 H new ATOM 0 HA GLU B 227 86.671 -10.563 5.007 1.00 0.00 H new ATOM 0 HB2 GLU B 227 88.646 -9.126 4.272 1.00 0.00 H new ATOM 0 HB3 GLU B 227 87.601 -8.395 3.070 1.00 0.00 H new ATOM 0 HG2 GLU B 227 86.032 -7.634 4.840 1.00 0.00 H new ATOM 0 HG3 GLU B 227 86.975 -8.455 6.067 1.00 0.00 H new ATOM 1685 N GLU B 228 85.261 -9.724 2.144 1.00 0.00 N ATOM 1686 CA GLU B 228 83.977 -9.429 1.509 1.00 0.00 C ATOM 1687 C GLU B 228 83.025 -10.628 1.600 1.00 0.00 C ATOM 1688 O GLU B 228 81.806 -10.452 1.589 1.00 0.00 O ATOM 1689 CB GLU B 228 84.190 -9.054 0.040 1.00 0.00 C ATOM 1690 CG GLU B 228 84.930 -7.711 -0.063 1.00 0.00 C ATOM 1691 CD GLU B 228 84.052 -6.576 0.478 1.00 0.00 C ATOM 1692 OE1 GLU B 228 84.521 -5.837 1.331 1.00 0.00 O ATOM 1693 OE2 GLU B 228 82.926 -6.465 0.029 1.00 0.00 O ATOM 0 H GLU B 228 86.039 -9.832 1.494 1.00 0.00 H new ATOM 0 HA GLU B 228 83.527 -8.590 2.039 1.00 0.00 H new ATOM 0 HB2 GLU B 228 84.764 -9.833 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU B 228 83.228 -8.988 -0.469 1.00 0.00 H new ATOM 0 HG2 GLU B 228 85.863 -7.758 0.499 1.00 0.00 H new ATOM 0 HG3 GLU B 228 85.194 -7.512 -1.102 1.00 0.00 H new ATOM 1700 N LYS B 229 83.590 -11.838 1.713 1.00 0.00 N ATOM 1701 CA LYS B 229 82.789 -13.054 1.836 1.00 0.00 C ATOM 1702 C LYS B 229 82.211 -13.187 3.242 1.00 0.00 C ATOM 1703 O LYS B 229 81.056 -13.583 3.409 1.00 0.00 O ATOM 1704 CB LYS B 229 83.646 -14.279 1.513 1.00 0.00 C ATOM 1705 CG LYS B 229 83.961 -14.310 0.015 1.00 0.00 C ATOM 1706 CD LYS B 229 82.727 -14.777 -0.762 1.00 0.00 C ATOM 1707 CE LYS B 229 83.062 -14.839 -2.250 1.00 0.00 C ATOM 1708 NZ LYS B 229 81.863 -15.295 -3.005 1.00 0.00 N ATOM 0 H LYS B 229 84.598 -11.996 1.721 1.00 0.00 H new ATOM 0 HA LYS B 229 81.963 -12.991 1.127 1.00 0.00 H new ATOM 0 HB2 LYS B 229 84.571 -14.249 2.088 1.00 0.00 H new ATOM 0 HB3 LYS B 229 83.120 -15.189 1.802 1.00 0.00 H new ATOM 0 HG2 LYS B 229 84.262 -13.319 -0.324 1.00 0.00 H new ATOM 0 HG3 LYS B 229 84.799 -14.981 -0.177 1.00 0.00 H new ATOM 0 HD2 LYS B 229 82.410 -15.758 -0.408 1.00 0.00 H new ATOM 0 HD3 LYS B 229 81.896 -14.092 -0.593 1.00 0.00 H new ATOM 0 HE2 LYS B 229 83.378 -13.858 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS B 229 83.894 -15.522 -2.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 82.087 -15.339 -4.020 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 81.581 -16.239 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 81.081 -14.626 -2.852 1.00 0.00 H new ATOM 1722 N LYS B 230 83.029 -12.862 4.250 1.00 0.00 N ATOM 1723 CA LYS B 230 82.597 -12.961 5.644 1.00 0.00 C ATOM 1724 C LYS B 230 81.408 -12.046 5.924 1.00 0.00 C ATOM 1725 O LYS B 230 80.478 -12.432 6.638 1.00 0.00 O ATOM 1726 CB LYS B 230 83.755 -12.596 6.578 1.00 0.00 C ATOM 1727 CG LYS B 230 84.838 -13.674 6.496 1.00 0.00 C ATOM 1728 CD LYS B 230 86.002 -13.299 7.414 1.00 0.00 C ATOM 1729 CE LYS B 230 87.087 -14.374 7.326 1.00 0.00 C ATOM 1730 NZ LYS B 230 88.229 -14.001 8.208 1.00 0.00 N ATOM 0 H LYS B 230 83.986 -12.531 4.126 1.00 0.00 H new ATOM 0 HA LYS B 230 82.288 -13.990 5.826 1.00 0.00 H new ATOM 0 HB2 LYS B 230 84.170 -11.627 6.299 1.00 0.00 H new ATOM 0 HB3 LYS B 230 83.395 -12.505 7.603 1.00 0.00 H new ATOM 0 HG2 LYS B 230 84.427 -14.640 6.789 1.00 0.00 H new ATOM 0 HG3 LYS B 230 85.189 -13.775 5.469 1.00 0.00 H new ATOM 0 HD2 LYS B 230 86.410 -12.331 7.125 1.00 0.00 H new ATOM 0 HD3 LYS B 230 85.652 -13.203 8.442 1.00 0.00 H new ATOM 0 HE2 LYS B 230 86.682 -15.340 7.627 1.00 0.00 H new ATOM 0 HE3 LYS B 230 87.428 -14.478 6.296 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 88.967 -14.732 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 88.621 -13.088 7.901 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 87.898 -13.923 9.191 1.00 0.00 H new ATOM 1744 N GLU B 231 81.442 -10.832 5.364 1.00 0.00 N ATOM 1745 CA GLU B 231 80.369 -9.864 5.559 1.00 0.00 C ATOM 1746 C GLU B 231 79.509 -9.743 4.301 1.00 0.00 C ATOM 1747 O GLU B 231 79.934 -10.127 3.212 1.00 0.00 O ATOM 1748 CB GLU B 231 80.964 -8.499 5.902 1.00 0.00 C ATOM 1749 CG GLU B 231 81.615 -8.546 7.291 1.00 0.00 C ATOM 1750 CD GLU B 231 82.275 -7.204 7.621 1.00 0.00 C ATOM 1751 OE1 GLU B 231 82.790 -7.076 8.720 1.00 0.00 O ATOM 1752 OE2 GLU B 231 82.263 -6.319 6.776 1.00 0.00 O ATOM 0 H GLU B 231 82.204 -10.501 4.772 1.00 0.00 H new ATOM 0 HA GLU B 231 79.739 -10.210 6.379 1.00 0.00 H new ATOM 0 HB2 GLU B 231 81.704 -8.217 5.153 1.00 0.00 H new ATOM 0 HB3 GLU B 231 80.184 -7.738 5.882 1.00 0.00 H new ATOM 0 HG2 GLU B 231 80.863 -8.783 8.044 1.00 0.00 H new ATOM 0 HG3 GLU B 231 82.359 -9.342 7.323 1.00 0.00 H new ATOM 1759 N SER B 232 78.295 -9.220 4.475 1.00 0.00 N ATOM 1760 CA SER B 232 77.357 -9.054 3.366 1.00 0.00 C ATOM 1761 C SER B 232 77.789 -7.897 2.463 1.00 0.00 C ATOM 1762 O SER B 232 78.601 -7.057 2.859 1.00 0.00 O ATOM 1763 CB SER B 232 75.949 -8.799 3.899 1.00 0.00 C ATOM 1764 OG SER B 232 75.917 -7.539 4.553 1.00 0.00 O ATOM 0 H SER B 232 77.938 -8.903 5.376 1.00 0.00 H new ATOM 0 HA SER B 232 77.355 -9.972 2.779 1.00 0.00 H new ATOM 0 HB2 SER B 232 75.229 -8.815 3.081 1.00 0.00 H new ATOM 0 HB3 SER B 232 75.661 -9.589 4.592 1.00 0.00 H new ATOM 0 HG SER B 232 75.014 -7.371 4.895 1.00 0.00 H new ATOM 1770 N LEU B 233 77.237 -7.867 1.249 1.00 0.00 N ATOM 1771 CA LEU B 233 77.559 -6.824 0.285 1.00 0.00 C ATOM 1772 C LEU B 233 76.359 -6.560 -0.611 1.00 0.00 C ATOM 1773 O LEU B 233 75.701 -7.501 -1.063 1.00 0.00 O ATOM 1774 CB LEU B 233 78.756 -7.251 -0.569 1.00 0.00 C ATOM 1775 CG LEU B 233 79.253 -6.065 -1.418 1.00 0.00 C ATOM 1776 CD1 LEU B 233 79.988 -5.063 -0.524 1.00 0.00 C ATOM 1777 CD2 LEU B 233 80.208 -6.568 -2.510 1.00 0.00 C ATOM 0 H LEU B 233 76.564 -8.556 0.913 1.00 0.00 H new ATOM 0 HA LEU B 233 77.813 -5.911 0.824 1.00 0.00 H new ATOM 0 HB2 LEU B 233 79.560 -7.611 0.073 1.00 0.00 H new ATOM 0 HB3 LEU B 233 78.472 -8.079 -1.218 1.00 0.00 H new ATOM 0 HG LEU B 233 78.396 -5.578 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU B 233 80.338 -4.226 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU B 233 79.309 -4.697 0.246 1.00 0.00 H new ATOM 0 HD13 LEU B 233 80.841 -5.553 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU B 233 80.555 -5.724 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU B 233 81.063 -7.061 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU B 233 79.685 -7.276 -3.153 1.00 0.00 H new ATOM 1789 N ARG B 234 76.079 -5.282 -0.855 1.00 0.00 N ATOM 1790 CA ARG B 234 74.948 -4.901 -1.700 1.00 0.00 C ATOM 1791 C ARG B 234 75.338 -3.755 -2.627 1.00 0.00 C ATOM 1792 O ARG B 234 75.885 -2.745 -2.182 1.00 0.00 O ATOM 1793 CB ARG B 234 73.761 -4.484 -0.827 1.00 0.00 C ATOM 1794 CG ARG B 234 72.533 -4.223 -1.709 1.00 0.00 C ATOM 1795 CD ARG B 234 71.355 -3.795 -0.835 1.00 0.00 C ATOM 1796 NE ARG B 234 70.133 -3.709 -1.642 1.00 0.00 N ATOM 1797 CZ ARG B 234 69.808 -2.619 -2.363 1.00 0.00 C ATOM 1798 NH1 ARG B 234 70.578 -1.553 -2.387 1.00 0.00 N ATOM 1799 NH2 ARG B 234 68.703 -2.620 -3.057 1.00 0.00 N ATOM 0 H ARG B 234 76.614 -4.497 -0.483 1.00 0.00 H new ATOM 0 HA ARG B 234 74.662 -5.760 -2.307 1.00 0.00 H new ATOM 0 HB2 ARG B 234 73.539 -5.266 -0.101 1.00 0.00 H new ATOM 0 HB3 ARG B 234 74.011 -3.586 -0.262 1.00 0.00 H new ATOM 0 HG2 ARG B 234 72.757 -3.447 -2.441 1.00 0.00 H new ATOM 0 HG3 ARG B 234 72.276 -5.123 -2.268 1.00 0.00 H new ATOM 0 HD2 ARG B 234 71.215 -4.510 -0.024 1.00 0.00 H new ATOM 0 HD3 ARG B 234 71.565 -2.829 -0.375 1.00 0.00 H new ATOM 0 HE ARG B 234 69.502 -4.510 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG B 234 71.446 -1.538 -1.851 1.00 0.00 H new ATOM 0 HH12 ARG B 234 70.308 -0.741 -2.942 1.00 0.00 H new ATOM 0 HH21 ARG B 234 68.097 -3.440 -3.049 1.00 0.00 H new ATOM 0 HH22 ARG B 234 68.446 -1.801 -3.607 1.00 0.00 H new ATOM 1813 N SER B 235 75.036 -3.928 -3.912 1.00 0.00 N ATOM 1814 CA SER B 235 75.342 -2.914 -4.913 1.00 0.00 C ATOM 1815 C SER B 235 74.465 -3.105 -6.141 1.00 0.00 C ATOM 1816 O SER B 235 73.801 -4.137 -6.279 1.00 0.00 O ATOM 1817 CB SER B 235 76.817 -3.003 -5.310 1.00 0.00 C ATOM 1818 OG SER B 235 77.126 -4.344 -5.669 1.00 0.00 O ATOM 0 H SER B 235 74.580 -4.762 -4.282 1.00 0.00 H new ATOM 0 HA SER B 235 75.143 -1.930 -4.488 1.00 0.00 H new ATOM 0 HB2 SER B 235 77.022 -2.334 -6.146 1.00 0.00 H new ATOM 0 HB3 SER B 235 77.449 -2.681 -4.482 1.00 0.00 H new ATOM 0 HG SER B 235 78.070 -4.405 -5.926 1.00 0.00 H new ATOM 1824 N SER B 236 74.470 -2.110 -7.024 1.00 0.00 N ATOM 1825 CA SER B 236 73.674 -2.171 -8.245 1.00 0.00 C ATOM 1826 C SER B 236 74.367 -1.409 -9.365 1.00 0.00 C ATOM 1827 O SER B 236 75.278 -0.617 -9.116 1.00 0.00 O ATOM 1828 CB SER B 236 72.291 -1.573 -7.998 1.00 0.00 C ATOM 1829 OG SER B 236 72.422 -0.185 -7.726 1.00 0.00 O ATOM 0 H SER B 236 75.015 -1.254 -6.917 1.00 0.00 H new ATOM 0 HA SER B 236 73.567 -3.215 -8.539 1.00 0.00 H new ATOM 0 HB2 SER B 236 71.655 -1.726 -8.870 1.00 0.00 H new ATOM 0 HB3 SER B 236 71.809 -2.076 -7.160 1.00 0.00 H new ATOM 0 HG SER B 236 71.536 0.203 -7.569 1.00 0.00 H new ATOM 1835 N VAL B 237 73.933 -1.666 -10.595 1.00 0.00 N ATOM 1836 CA VAL B 237 74.509 -1.014 -11.769 1.00 0.00 C ATOM 1837 C VAL B 237 73.416 -0.309 -12.573 1.00 0.00 C ATOM 1838 O VAL B 237 72.346 -0.878 -12.809 1.00 0.00 O ATOM 1839 CB VAL B 237 75.232 -2.043 -12.663 1.00 0.00 C ATOM 1840 CG1 VAL B 237 76.421 -2.652 -11.912 1.00 0.00 C ATOM 1841 CG2 VAL B 237 74.265 -3.167 -13.064 1.00 0.00 C ATOM 0 H VAL B 237 73.182 -2.323 -10.806 1.00 0.00 H new ATOM 0 HA VAL B 237 75.234 -0.276 -11.427 1.00 0.00 H new ATOM 0 HB VAL B 237 75.588 -1.532 -13.557 1.00 0.00 H new ATOM 0 HG11 VAL B 237 76.923 -3.377 -12.553 1.00 0.00 H new ATOM 0 HG12 VAL B 237 77.121 -1.863 -11.638 1.00 0.00 H new ATOM 0 HG13 VAL B 237 76.065 -3.150 -11.010 1.00 0.00 H new ATOM 0 HG21 VAL B 237 74.786 -3.887 -13.695 1.00 0.00 H new ATOM 0 HG22 VAL B 237 73.898 -3.668 -12.168 1.00 0.00 H new ATOM 0 HG23 VAL B 237 73.424 -2.745 -13.614 1.00 0.00 H new ATOM 1851 N HIS B 238 73.701 0.924 -12.986 1.00 0.00 N ATOM 1852 CA HIS B 238 72.745 1.711 -13.768 1.00 0.00 C ATOM 1853 C HIS B 238 73.128 1.693 -15.245 1.00 0.00 C ATOM 1854 O HIS B 238 74.246 2.071 -15.612 1.00 0.00 O ATOM 1855 CB HIS B 238 72.721 3.157 -13.264 1.00 0.00 C ATOM 1856 CG HIS B 238 72.170 3.195 -11.864 1.00 0.00 C ATOM 1857 ND1 HIS B 238 72.954 2.934 -10.752 1.00 0.00 N ATOM 1858 CD2 HIS B 238 70.914 3.471 -11.380 1.00 0.00 C ATOM 1859 CE1 HIS B 238 72.171 3.057 -9.663 1.00 0.00 C ATOM 1860 NE2 HIS B 238 70.919 3.384 -9.990 1.00 0.00 N ATOM 0 H HIS B 238 74.582 1.400 -12.794 1.00 0.00 H new ATOM 0 HA HIS B 238 71.755 1.271 -13.651 1.00 0.00 H new ATOM 0 HB2 HIS B 238 73.727 3.575 -13.281 1.00 0.00 H new ATOM 0 HB3 HIS B 238 72.109 3.772 -13.923 1.00 0.00 H new ATOM 0 HD2 HIS B 238 70.054 3.718 -11.985 1.00 0.00 H new ATOM 0 HE1 HIS B 238 72.514 2.909 -8.650 1.00 0.00 H new ATOM 0 HE2 HIS B 238 70.134 3.537 -9.357 1.00 0.00 H new ATOM 1868 N LYS B 239 72.194 1.242 -16.089 1.00 0.00 N ATOM 1869 CA LYS B 239 72.434 1.166 -17.532 1.00 0.00 C ATOM 1870 C LYS B 239 73.758 0.460 -17.830 1.00 0.00 C ATOM 1871 O LYS B 239 74.434 0.767 -18.817 1.00 0.00 O ATOM 1872 CB LYS B 239 72.457 2.578 -18.128 1.00 0.00 C ATOM 1873 CG LYS B 239 72.101 2.513 -19.616 1.00 0.00 C ATOM 1874 CD LYS B 239 71.975 3.930 -20.173 1.00 0.00 C ATOM 1875 CE LYS B 239 71.575 3.863 -21.648 1.00 0.00 C ATOM 1876 NZ LYS B 239 71.430 5.245 -22.185 1.00 0.00 N ATOM 0 H LYS B 239 71.269 0.926 -15.798 1.00 0.00 H new ATOM 0 HA LYS B 239 71.627 0.590 -17.984 1.00 0.00 H new ATOM 0 HB2 LYS B 239 71.748 3.217 -17.602 1.00 0.00 H new ATOM 0 HB3 LYS B 239 73.444 3.022 -17.999 1.00 0.00 H new ATOM 0 HG2 LYS B 239 72.869 1.964 -20.161 1.00 0.00 H new ATOM 0 HG3 LYS B 239 71.165 1.972 -19.753 1.00 0.00 H new ATOM 0 HD2 LYS B 239 71.230 4.490 -19.608 1.00 0.00 H new ATOM 0 HD3 LYS B 239 72.921 4.460 -20.065 1.00 0.00 H new ATOM 0 HE2 LYS B 239 72.329 3.318 -22.216 1.00 0.00 H new ATOM 0 HE3 LYS B 239 70.637 3.318 -21.757 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 71.158 5.201 -23.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 70.696 5.750 -21.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 72.335 5.750 -22.094 1.00 0.00 H new ATOM 1890 N ARG B 240 74.122 -0.488 -16.959 1.00 0.00 N ATOM 1891 CA ARG B 240 75.364 -1.240 -17.122 1.00 0.00 C ATOM 1892 C ARG B 240 76.553 -0.287 -17.250 1.00 0.00 C ATOM 1893 O ARG B 240 76.365 0.901 -17.028 1.00 0.00 O ATOM 1894 CB ARG B 240 75.270 -2.126 -18.371 1.00 0.00 C ATOM 1895 CG ARG B 240 74.229 -3.230 -18.156 1.00 0.00 C ATOM 1896 CD ARG B 240 74.085 -4.047 -19.442 1.00 0.00 C ATOM 1897 NE ARG B 240 73.469 -3.229 -20.497 1.00 0.00 N ATOM 1898 CZ ARG B 240 73.196 -3.710 -21.724 1.00 0.00 C ATOM 1899 NH1 ARG B 240 73.473 -4.952 -22.053 1.00 0.00 N ATOM 1900 NH2 ARG B 240 72.645 -2.925 -22.608 1.00 0.00 N ATOM 1901 OXT ARG B 240 77.633 -0.755 -17.567 1.00 0.00 O ATOM 0 H ARG B 240 73.575 -0.749 -16.139 1.00 0.00 H new ATOM 0 HA ARG B 240 75.514 -1.867 -16.243 1.00 0.00 H new ATOM 0 HB2 ARG B 240 74.997 -1.521 -19.236 1.00 0.00 H new ATOM 0 HB3 ARG B 240 76.242 -2.569 -18.586 1.00 0.00 H new ATOM 0 HG2 ARG B 240 74.533 -3.877 -17.333 1.00 0.00 H new ATOM 0 HG3 ARG B 240 73.270 -2.792 -17.880 1.00 0.00 H new ATOM 0 HD2 ARG B 240 75.063 -4.399 -19.769 1.00 0.00 H new ATOM 0 HD3 ARG B 240 73.475 -4.930 -19.254 1.00 0.00 H new ATOM 0 HE ARG B 240 73.239 -2.257 -20.291 1.00 0.00 H new ATOM 0 HH11 ARG B 240 73.905 -5.576 -21.371 1.00 0.00 H new ATOM 0 HH12 ARG B 240 73.256 -5.292 -22.990 1.00 0.00 H new ATOM 0 HH21 ARG B 240 72.426 -1.959 -22.366 1.00 0.00 H new ATOM 0 HH22 ARG B 240 72.433 -3.277 -23.541 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 96.784 -11.903 2.962 1.00 0.00 ZN