USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 219 HIS HE2 : B 219 HIS NE2 : B 300 ZNZN :(H bumps) USER MOD Set 1.1: A 55 THR OG1 : rot -76:sc= -0.127 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc=3.95e-05 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0908 K(o=-0.091,f=-1.9!) USER MOD Set 3.1: A 7 THR OG1 : rot 120:sc= 0.569 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.881 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.3 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.16) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.0333 (180deg=-0.492) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -79:sc= 1.4 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 1.04 (180deg=0.911) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= 0.0512 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.864 K(o=-0.86,f=-2.5!) USER MOD Single : A 33 LYS NZ :NH3+ -125:sc= -1.13 (180deg=-4.53!) USER MOD Single : A 40 GLN : amide:sc= -0.515 K(o=-0.51,f=-1.8) USER MOD Single : A 41 GLN : amide:sc= -3.09 K(o=-3.1,f=-2.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.31) USER MOD Single : A 59 TYR OH : rot 150:sc= 1.44 USER MOD Single : A 60 ASN : amide:sc=-0.000401 K(o=-0.0004,f=-0.67) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= -0.0173 (180deg=-0.265) USER MOD Single : A 65 SER OG : rot 150:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00501 X(o=-0.005,f=-0.14) USER MOD Single : B 198 GLN : amide:sc= 0 K(o=0,f=-0.89!) 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= -0.677 K(o=-0.68,f=-2.9!) USER MOD Single : B 214 SER OG : rot -21:sc= 0.00246 USER MOD Single : B 215 HIS : no HD1:sc= -0.0785 K(o=-0.079,f=-2.1!) USER MOD Single : B 217 ASN : amide:sc= -1.38 K(o=-1.4,f=-4.5!) USER MOD Single : B 218 LYS NZ :NH3+ 162:sc= -0.018 (180deg=-0.408) USER MOD Single : B 222 SER OG : rot -50:sc= 0.601 USER MOD Single : B 225 SER OG : rot 99:sc= 1.24 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 -119:sc= 0.134 USER MOD Single : B 235 SER OG : rot 180:sc= 0 USER MOD Single : B 236 SER OG : rot -170:sc= 0 USER MOD Single : B 238 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.4) USER MOD Single : B 239 LYS NZ :NH3+ -165:sc= -0.0165 (180deg=-0.273) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.517 16.374 10.142 1.00 0.00 N ATOM 2 CA MET A 1 96.705 15.066 10.841 1.00 0.00 C ATOM 3 C MET A 1 97.953 14.388 10.303 1.00 0.00 C ATOM 4 O MET A 1 98.002 13.976 9.142 1.00 0.00 O ATOM 5 CB MET A 1 95.485 14.163 10.615 1.00 0.00 C ATOM 6 CG MET A 1 95.658 12.820 11.341 1.00 0.00 C ATOM 7 SD MET A 1 94.036 12.100 11.697 1.00 0.00 S ATOM 8 CE MET A 1 93.917 11.064 10.218 1.00 0.00 C ATOM 0 H1 MET A 1 95.746 16.903 10.597 1.00 0.00 H new ATOM 0 H2 MET A 1 97.396 16.927 10.197 1.00 0.00 H new ATOM 0 H3 MET A 1 96.278 16.203 9.144 1.00 0.00 H new ATOM 0 HA MET A 1 96.814 15.243 11.911 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.586 14.663 10.975 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.348 13.990 9.548 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.242 12.136 10.725 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.212 12.966 12.268 1.00 0.00 H new ATOM 0 HE1 MET A 1 92.973 10.518 10.231 1.00 0.00 H new ATOM 0 HE2 MET A 1 93.960 11.693 9.329 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.745 10.356 10.202 1.00 0.00 H new ATOM 20 N GLN A 2 98.945 14.271 11.172 1.00 0.00 N ATOM 21 CA GLN A 2 100.202 13.625 10.803 1.00 0.00 C ATOM 22 C GLN A 2 100.068 12.125 10.988 1.00 0.00 C ATOM 23 O GLN A 2 99.762 11.646 12.081 1.00 0.00 O ATOM 24 CB GLN A 2 101.361 14.146 11.657 1.00 0.00 C ATOM 25 CG GLN A 2 102.693 13.594 11.130 1.00 0.00 C ATOM 26 CD GLN A 2 103.849 14.119 11.975 1.00 0.00 C ATOM 27 OE1 GLN A 2 104.046 15.329 12.079 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.618 13.272 12.599 1.00 0.00 N ATOM 0 H GLN A 2 98.908 14.612 12.133 1.00 0.00 H new ATOM 0 HA GLN A 2 100.417 13.856 9.760 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.377 15.236 11.637 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.220 13.848 12.696 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.679 12.504 11.155 1.00 0.00 H new ATOM 0 HG3 GLN A 2 102.831 13.887 10.089 1.00 0.00 H new ATOM 0 HE21 GLN A 2 104.451 12.270 12.510 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.387 13.611 13.177 1.00 0.00 H new ATOM 37 N ILE A 3 100.301 11.399 9.904 1.00 0.00 N ATOM 38 CA ILE A 3 100.221 9.947 9.920 1.00 0.00 C ATOM 39 C ILE A 3 101.507 9.371 9.359 1.00 0.00 C ATOM 40 O ILE A 3 102.223 10.050 8.623 1.00 0.00 O ATOM 41 CB ILE A 3 99.007 9.461 9.104 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.116 9.951 7.646 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.720 9.999 9.747 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.078 9.242 6.771 1.00 0.00 C ATOM 0 H ILE A 3 100.548 11.796 8.997 1.00 0.00 H new ATOM 0 HA ILE A 3 100.091 9.605 10.947 1.00 0.00 H new ATOM 0 HB ILE A 3 98.984 8.371 9.101 1.00 0.00 H new ATOM 0 HG12 ILE A 3 98.962 11.029 7.605 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.118 9.757 7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 3 96.857 9.659 9.174 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.644 9.632 10.771 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.744 11.089 9.753 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.165 9.596 5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.252 8.166 6.800 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.078 9.458 7.146 1.00 0.00 H new ATOM 56 N PHE A 4 101.792 8.128 9.713 1.00 0.00 N ATOM 57 CA PHE A 4 103.003 7.464 9.240 1.00 0.00 C ATOM 58 C PHE A 4 102.631 6.346 8.279 1.00 0.00 C ATOM 59 O PHE A 4 101.605 5.683 8.456 1.00 0.00 O ATOM 60 CB PHE A 4 103.782 6.873 10.423 1.00 0.00 C ATOM 61 CG PHE A 4 104.172 7.971 11.391 1.00 0.00 C ATOM 62 CD1 PHE A 4 103.536 8.067 12.636 1.00 0.00 C ATOM 63 CD2 PHE A 4 105.163 8.894 11.039 1.00 0.00 C ATOM 64 CE1 PHE A 4 103.897 9.079 13.528 1.00 0.00 C ATOM 65 CE2 PHE A 4 105.524 9.906 11.935 1.00 0.00 C ATOM 66 CZ PHE A 4 104.886 10.001 13.178 1.00 0.00 C ATOM 0 H PHE A 4 101.206 7.558 10.323 1.00 0.00 H new ATOM 0 HA PHE A 4 103.628 8.197 8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.173 6.127 10.933 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.675 6.362 10.062 1.00 0.00 H new ATOM 0 HD1 PHE A 4 102.767 7.358 12.906 1.00 0.00 H new ATOM 0 HD2 PHE A 4 105.649 8.825 10.077 1.00 0.00 H new ATOM 0 HE1 PHE A 4 103.411 9.149 14.490 1.00 0.00 H new ATOM 0 HE2 PHE A 4 106.295 10.614 11.668 1.00 0.00 H new ATOM 0 HZ PHE A 4 105.159 10.787 13.866 1.00 0.00 H new ATOM 76 N VAL A 5 103.477 6.129 7.277 1.00 0.00 N ATOM 77 CA VAL A 5 103.248 5.063 6.303 1.00 0.00 C ATOM 78 C VAL A 5 104.483 4.168 6.289 1.00 0.00 C ATOM 79 O VAL A 5 105.615 4.660 6.283 1.00 0.00 O ATOM 80 CB VAL A 5 102.950 5.643 4.906 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.708 4.508 3.902 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.697 6.526 4.972 1.00 0.00 C ATOM 0 H VAL A 5 104.324 6.674 7.117 1.00 0.00 H new ATOM 0 HA VAL A 5 102.374 4.476 6.585 1.00 0.00 H new ATOM 0 HB VAL A 5 103.806 6.235 4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.499 4.930 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.595 3.878 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.858 3.909 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.488 6.935 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.848 5.929 5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 5 101.864 7.342 5.675 1.00 0.00 H new ATOM 92 N LYS A 6 104.251 2.858 6.302 1.00 0.00 N ATOM 93 CA LYS A 6 105.342 1.891 6.310 1.00 0.00 C ATOM 94 C LYS A 6 105.238 0.947 5.122 1.00 0.00 C ATOM 95 O LYS A 6 104.243 0.232 4.967 1.00 0.00 O ATOM 96 CB LYS A 6 105.307 1.080 7.610 1.00 0.00 C ATOM 97 CG LYS A 6 106.577 0.236 7.725 1.00 0.00 C ATOM 98 CD LYS A 6 106.558 -0.540 9.038 1.00 0.00 C ATOM 99 CE LYS A 6 107.835 -1.370 9.149 1.00 0.00 C ATOM 100 NZ LYS A 6 107.841 -2.097 10.447 1.00 0.00 N ATOM 0 H LYS A 6 103.319 2.444 6.307 1.00 0.00 H new ATOM 0 HA LYS A 6 106.283 2.436 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.225 1.750 8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.428 0.436 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.645 -0.454 6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.457 0.877 7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.483 0.148 9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.683 -1.189 9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 6 107.894 -2.078 8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 6 108.709 -0.723 9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 108.710 -2.663 10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 107.803 -1.412 11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 107.014 -2.725 10.497 1.00 0.00 H new ATOM 114 N THR A 7 106.274 0.964 4.289 1.00 0.00 N ATOM 115 CA THR A 7 106.312 0.119 3.103 1.00 0.00 C ATOM 116 C THR A 7 106.729 -1.295 3.486 1.00 0.00 C ATOM 117 O THR A 7 107.267 -1.520 4.573 1.00 0.00 O ATOM 118 CB THR A 7 107.303 0.687 2.080 1.00 0.00 C ATOM 119 OG1 THR A 7 108.603 0.716 2.653 1.00 0.00 O ATOM 120 CG2 THR A 7 106.895 2.107 1.671 1.00 0.00 C ATOM 0 H THR A 7 107.097 1.553 4.414 1.00 0.00 H new ATOM 0 HA THR A 7 105.317 0.094 2.659 1.00 0.00 H new ATOM 0 HB THR A 7 107.300 0.052 1.194 1.00 0.00 H new ATOM 0 HG1 THR A 7 109.207 0.157 2.121 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.609 2.496 0.945 1.00 0.00 H new ATOM 0 HG22 THR A 7 105.900 2.086 1.227 1.00 0.00 H new ATOM 0 HG23 THR A 7 106.886 2.751 2.551 1.00 0.00 H new ATOM 128 N LEU A 8 106.469 -2.238 2.586 1.00 0.00 N ATOM 129 CA LEU A 8 106.807 -3.642 2.817 1.00 0.00 C ATOM 130 C LEU A 8 108.319 -3.845 2.910 1.00 0.00 C ATOM 131 O LEU A 8 108.783 -4.806 3.532 1.00 0.00 O ATOM 132 CB LEU A 8 106.253 -4.501 1.676 1.00 0.00 C ATOM 133 CG LEU A 8 104.721 -4.426 1.656 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.201 -5.040 0.355 1.00 0.00 C ATOM 135 CD2 LEU A 8 104.146 -5.198 2.848 1.00 0.00 C ATOM 0 H LEU A 8 106.024 -2.056 1.686 1.00 0.00 H new ATOM 0 HA LEU A 8 106.361 -3.942 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.654 -4.156 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.573 -5.536 1.801 1.00 0.00 H new ATOM 0 HG LEU A 8 104.411 -3.383 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 8 103.112 -4.988 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.604 -4.488 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.516 -6.082 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 8 103.058 -5.141 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.456 -6.241 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.515 -4.762 3.776 1.00 0.00 H new ATOM 147 N THR A 9 109.073 -2.937 2.292 1.00 0.00 N ATOM 148 CA THR A 9 110.532 -3.009 2.302 1.00 0.00 C ATOM 149 C THR A 9 111.105 -2.587 3.664 1.00 0.00 C ATOM 150 O THR A 9 112.273 -2.856 3.954 1.00 0.00 O ATOM 151 CB THR A 9 111.093 -2.113 1.194 1.00 0.00 C ATOM 152 OG1 THR A 9 110.585 -0.795 1.351 1.00 0.00 O ATOM 153 CG2 THR A 9 110.677 -2.665 -0.177 1.00 0.00 C ATOM 0 H THR A 9 108.696 -2.141 1.777 1.00 0.00 H new ATOM 0 HA THR A 9 110.827 -4.043 2.125 1.00 0.00 H new ATOM 0 HB THR A 9 112.181 -2.094 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.944 -0.220 0.644 1.00 0.00 H new ATOM 0 HG21 THR A 9 111.078 -2.025 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 9 111.068 -3.675 -0.296 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.589 -2.687 -0.246 1.00 0.00 H new ATOM 161 N GLY A 10 110.278 -1.940 4.495 1.00 0.00 N ATOM 162 CA GLY A 10 110.709 -1.500 5.824 1.00 0.00 C ATOM 163 C GLY A 10 110.902 0.018 5.903 1.00 0.00 C ATOM 164 O GLY A 10 111.095 0.557 6.997 1.00 0.00 O ATOM 0 H GLY A 10 109.310 -1.711 4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.970 -1.808 6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.644 -1.996 6.082 1.00 0.00 H new ATOM 168 N LYS A 11 110.849 0.703 4.753 1.00 0.00 N ATOM 169 CA LYS A 11 111.017 2.152 4.724 1.00 0.00 C ATOM 170 C LYS A 11 109.882 2.821 5.490 1.00 0.00 C ATOM 171 O LYS A 11 108.783 2.269 5.594 1.00 0.00 O ATOM 172 CB LYS A 11 111.038 2.658 3.280 1.00 0.00 C ATOM 173 CG LYS A 11 111.472 4.127 3.258 1.00 0.00 C ATOM 174 CD LYS A 11 111.569 4.605 1.814 1.00 0.00 C ATOM 175 CE LYS A 11 112.018 6.066 1.785 1.00 0.00 C ATOM 176 NZ LYS A 11 113.407 6.170 2.313 1.00 0.00 N ATOM 0 H LYS A 11 110.692 0.276 3.840 1.00 0.00 H new ATOM 0 HA LYS A 11 111.967 2.403 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.723 2.057 2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 11 110.050 2.553 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.755 4.738 3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.435 4.241 3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.276 3.986 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.603 4.501 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.975 6.450 0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.343 6.677 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 113.834 7.062 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 113.386 6.151 3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 113.972 5.370 1.963 1.00 0.00 H new ATOM 190 N THR A 12 110.165 4.007 6.031 1.00 0.00 N ATOM 191 CA THR A 12 109.169 4.754 6.798 1.00 0.00 C ATOM 192 C THR A 12 109.108 6.206 6.333 1.00 0.00 C ATOM 193 O THR A 12 110.134 6.876 6.209 1.00 0.00 O ATOM 194 CB THR A 12 109.506 4.708 8.293 1.00 0.00 C ATOM 195 OG1 THR A 12 109.742 3.361 8.679 1.00 0.00 O ATOM 196 CG2 THR A 12 108.331 5.264 9.101 1.00 0.00 C ATOM 0 H THR A 12 111.071 4.468 5.953 1.00 0.00 H new ATOM 0 HA THR A 12 108.197 4.290 6.633 1.00 0.00 H new ATOM 0 HB THR A 12 110.395 5.309 8.483 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.960 3.328 9.634 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.572 5.231 10.164 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.141 6.295 8.804 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.442 4.662 8.912 1.00 0.00 H new ATOM 204 N ILE A 13 107.889 6.674 6.087 1.00 0.00 N ATOM 205 CA ILE A 13 107.653 8.043 5.641 1.00 0.00 C ATOM 206 C ILE A 13 106.518 8.665 6.453 1.00 0.00 C ATOM 207 O ILE A 13 105.479 8.031 6.663 1.00 0.00 O ATOM 208 CB ILE A 13 107.300 8.056 4.132 1.00 0.00 C ATOM 209 CG1 ILE A 13 107.000 9.503 3.662 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.078 7.155 3.867 1.00 0.00 C ATOM 211 CD1 ILE A 13 106.809 9.543 2.140 1.00 0.00 C ATOM 0 H ILE A 13 107.040 6.118 6.190 1.00 0.00 H new ATOM 0 HA ILE A 13 108.559 8.629 5.794 1.00 0.00 H new ATOM 0 HB ILE A 13 108.153 7.674 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.103 9.874 4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.819 10.163 3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 13 105.838 7.171 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.306 6.134 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.225 7.522 4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.599 10.566 1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.717 9.192 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 13 105.975 8.900 1.861 1.00 0.00 H new ATOM 223 N THR A 14 106.710 9.916 6.864 1.00 0.00 N ATOM 224 CA THR A 14 105.678 10.633 7.608 1.00 0.00 C ATOM 225 C THR A 14 104.921 11.511 6.629 1.00 0.00 C ATOM 226 O THR A 14 105.523 12.306 5.900 1.00 0.00 O ATOM 227 CB THR A 14 106.282 11.486 8.721 1.00 0.00 C ATOM 228 OG1 THR A 14 107.137 10.684 9.524 1.00 0.00 O ATOM 229 CG2 THR A 14 105.158 12.062 9.589 1.00 0.00 C ATOM 0 H THR A 14 107.563 10.450 6.696 1.00 0.00 H new ATOM 0 HA THR A 14 105.008 9.915 8.081 1.00 0.00 H new ATOM 0 HB THR A 14 106.857 12.301 8.282 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.597 10.149 10.143 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.588 12.671 10.384 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.503 12.678 8.974 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.583 11.247 10.028 1.00 0.00 H new ATOM 237 N LEU A 15 103.612 11.320 6.586 1.00 0.00 N ATOM 238 CA LEU A 15 102.764 12.047 5.656 1.00 0.00 C ATOM 239 C LEU A 15 101.753 12.914 6.386 1.00 0.00 C ATOM 240 O LEU A 15 101.119 12.476 7.349 1.00 0.00 O ATOM 241 CB LEU A 15 102.041 11.031 4.767 1.00 0.00 C ATOM 242 CG LEU A 15 101.340 11.726 3.595 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.374 12.309 2.619 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.481 10.696 2.865 1.00 0.00 C ATOM 0 H LEU A 15 103.112 10.665 7.187 1.00 0.00 H new ATOM 0 HA LEU A 15 103.384 12.710 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.756 10.302 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.309 10.481 5.359 1.00 0.00 H new ATOM 0 HG LEU A 15 100.722 12.540 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.859 12.799 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 15 102.997 13.036 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.001 11.506 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 15 99.974 11.174 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.115 9.891 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.740 10.288 3.552 1.00 0.00 H new ATOM 256 N GLU A 16 101.617 14.150 5.912 1.00 0.00 N ATOM 257 CA GLU A 16 100.683 15.101 6.503 1.00 0.00 C ATOM 258 C GLU A 16 99.396 15.141 5.695 1.00 0.00 C ATOM 259 O GLU A 16 99.397 15.558 4.535 1.00 0.00 O ATOM 260 CB GLU A 16 101.303 16.497 6.537 1.00 0.00 C ATOM 261 CG GLU A 16 102.451 16.528 7.555 1.00 0.00 C ATOM 262 CD GLU A 16 103.118 17.914 7.612 1.00 0.00 C ATOM 263 OE1 GLU A 16 102.644 18.831 6.954 1.00 0.00 O ATOM 264 OE2 GLU A 16 104.101 18.035 8.325 1.00 0.00 O ATOM 0 H GLU A 16 102.144 14.516 5.119 1.00 0.00 H new ATOM 0 HA GLU A 16 100.461 14.781 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 16 101.674 16.765 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 16 100.547 17.235 6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 16 102.070 16.266 8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 16 103.194 15.776 7.290 1.00 0.00 H new ATOM 271 N VAL A 17 98.306 14.704 6.317 1.00 0.00 N ATOM 272 CA VAL A 17 97.004 14.686 5.653 1.00 0.00 C ATOM 273 C VAL A 17 95.908 15.070 6.633 1.00 0.00 C ATOM 274 O VAL A 17 96.175 15.239 7.820 1.00 0.00 O ATOM 275 CB VAL A 17 96.718 13.300 5.055 1.00 0.00 C ATOM 276 CG1 VAL A 17 97.769 12.984 3.988 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.766 12.226 6.153 1.00 0.00 C ATOM 0 H VAL A 17 98.296 14.358 7.277 1.00 0.00 H new ATOM 0 HA VAL A 17 97.023 15.414 4.842 1.00 0.00 H new ATOM 0 HB VAL A 17 95.724 13.304 4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.570 12.001 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 17 97.726 13.737 3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 17 98.760 12.989 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.562 11.249 5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.755 12.219 6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 17 96.016 12.448 6.912 1.00 0.00 H new ATOM 287 N GLU A 18 94.679 15.198 6.134 1.00 0.00 N ATOM 288 CA GLU A 18 93.548 15.549 6.993 1.00 0.00 C ATOM 289 C GLU A 18 92.413 14.523 6.840 1.00 0.00 C ATOM 290 O GLU A 18 92.264 13.934 5.769 1.00 0.00 O ATOM 291 CB GLU A 18 93.023 16.946 6.648 1.00 0.00 C ATOM 292 CG GLU A 18 94.084 17.991 6.992 1.00 0.00 C ATOM 293 CD GLU A 18 93.548 19.390 6.708 1.00 0.00 C ATOM 294 OE1 GLU A 18 93.319 19.691 5.549 1.00 0.00 O ATOM 295 OE2 GLU A 18 93.373 20.139 7.655 1.00 0.00 O ATOM 0 H GLU A 18 94.442 15.066 5.151 1.00 0.00 H new ATOM 0 HA GLU A 18 93.897 15.544 8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.774 17.001 5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 18 92.106 17.148 7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 18 94.363 17.906 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 18 94.986 17.812 6.407 1.00 0.00 H new ATOM 302 N PRO A 19 91.605 14.293 7.877 1.00 0.00 N ATOM 303 CA PRO A 19 90.471 13.313 7.806 1.00 0.00 C ATOM 304 C PRO A 19 89.533 13.606 6.633 1.00 0.00 C ATOM 305 O PRO A 19 88.986 12.689 6.013 1.00 0.00 O ATOM 306 CB PRO A 19 89.746 13.492 9.146 1.00 0.00 C ATOM 307 CG PRO A 19 90.769 14.053 10.074 1.00 0.00 C ATOM 308 CD PRO A 19 91.673 14.926 9.218 1.00 0.00 C ATOM 0 HA PRO A 19 90.821 12.294 7.642 1.00 0.00 H new ATOM 0 HB2 PRO A 19 88.894 14.165 9.046 1.00 0.00 H new ATOM 0 HB3 PRO A 19 89.360 12.542 9.514 1.00 0.00 H new ATOM 0 HG2 PRO A 19 90.300 14.636 10.867 1.00 0.00 H new ATOM 0 HG3 PRO A 19 91.337 13.258 10.557 1.00 0.00 H new ATOM 0 HD2 PRO A 19 91.325 15.959 9.192 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.693 14.943 9.602 1.00 0.00 H new ATOM 316 N SER A 20 89.367 14.896 6.342 1.00 0.00 N ATOM 317 CA SER A 20 88.503 15.337 5.241 1.00 0.00 C ATOM 318 C SER A 20 89.122 15.013 3.878 1.00 0.00 C ATOM 319 O SER A 20 88.405 14.920 2.876 1.00 0.00 O ATOM 320 CB SER A 20 88.263 16.843 5.338 1.00 0.00 C ATOM 321 OG SER A 20 89.507 17.525 5.258 1.00 0.00 O ATOM 0 H SER A 20 89.818 15.656 6.852 1.00 0.00 H new ATOM 0 HA SER A 20 87.558 14.801 5.327 1.00 0.00 H new ATOM 0 HB2 SER A 20 87.604 17.170 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 20 87.764 17.083 6.277 1.00 0.00 H new ATOM 0 HG SER A 20 89.355 18.491 5.318 1.00 0.00 H new ATOM 327 N ASP A 21 90.450 14.848 3.845 1.00 0.00 N ATOM 328 CA ASP A 21 91.151 14.544 2.601 1.00 0.00 C ATOM 329 C ASP A 21 90.822 13.134 2.142 1.00 0.00 C ATOM 330 O ASP A 21 90.732 12.210 2.956 1.00 0.00 O ATOM 331 CB ASP A 21 92.668 14.678 2.799 1.00 0.00 C ATOM 332 CG ASP A 21 93.053 16.124 3.140 1.00 0.00 C ATOM 333 OD1 ASP A 21 92.343 17.033 2.733 1.00 0.00 O ATOM 334 OD2 ASP A 21 94.061 16.299 3.805 1.00 0.00 O ATOM 0 H ASP A 21 91.054 14.920 4.664 1.00 0.00 H new ATOM 0 HA ASP A 21 90.825 15.253 1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 21 92.994 14.013 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 21 93.186 14.364 1.893 1.00 0.00 H new ATOM 339 N THR A 22 90.646 12.979 0.831 1.00 0.00 N ATOM 340 CA THR A 22 90.326 11.682 0.252 1.00 0.00 C ATOM 341 C THR A 22 91.595 10.892 -0.019 1.00 0.00 C ATOM 342 O THR A 22 92.691 11.455 -0.054 1.00 0.00 O ATOM 343 CB THR A 22 89.545 11.876 -1.050 1.00 0.00 C ATOM 344 OG1 THR A 22 90.314 12.670 -1.944 1.00 0.00 O ATOM 345 CG2 THR A 22 88.208 12.564 -0.763 1.00 0.00 C ATOM 0 H THR A 22 90.720 13.737 0.153 1.00 0.00 H new ATOM 0 HA THR A 22 89.714 11.124 0.961 1.00 0.00 H new ATOM 0 HB THR A 22 89.349 10.904 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.818 12.795 -2.780 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.660 12.697 -1.696 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.621 11.948 -0.082 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.390 13.537 -0.307 1.00 0.00 H new ATOM 353 N ILE A 23 91.442 9.578 -0.182 1.00 0.00 N ATOM 354 CA ILE A 23 92.590 8.706 -0.415 1.00 0.00 C ATOM 355 C ILE A 23 93.301 9.136 -1.699 1.00 0.00 C ATOM 356 O ILE A 23 94.532 9.214 -1.729 1.00 0.00 O ATOM 357 CB ILE A 23 92.125 7.234 -0.506 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.554 6.760 0.861 1.00 0.00 C ATOM 359 CG2 ILE A 23 93.295 6.323 -0.939 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.602 6.824 1.992 1.00 0.00 C ATOM 0 H ILE A 23 90.542 9.098 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 23 93.290 8.789 0.416 1.00 0.00 H new ATOM 0 HB ILE A 23 91.337 7.168 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.698 7.379 1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 23 91.190 5.737 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 23 92.950 5.291 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.660 6.640 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 23 94.101 6.395 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 23 92.152 6.483 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 23 93.448 6.184 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 23 92.947 7.851 2.110 1.00 0.00 H new ATOM 372 N GLU A 24 92.524 9.428 -2.744 1.00 0.00 N ATOM 373 CA GLU A 24 93.103 9.870 -4.014 1.00 0.00 C ATOM 374 C GLU A 24 94.016 11.080 -3.792 1.00 0.00 C ATOM 375 O GLU A 24 95.078 11.192 -4.412 1.00 0.00 O ATOM 376 CB GLU A 24 91.983 10.257 -4.978 1.00 0.00 C ATOM 377 CG GLU A 24 91.254 8.997 -5.456 1.00 0.00 C ATOM 378 CD GLU A 24 90.027 9.354 -6.316 1.00 0.00 C ATOM 379 OE1 GLU A 24 89.317 8.439 -6.690 1.00 0.00 O ATOM 380 OE2 GLU A 24 89.814 10.530 -6.595 1.00 0.00 O ATOM 0 H GLU A 24 91.506 9.368 -2.738 1.00 0.00 H new ATOM 0 HA GLU A 24 93.690 9.053 -4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.281 10.929 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 24 92.395 10.796 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 24 91.938 8.376 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 24 90.939 8.408 -4.595 1.00 0.00 H new ATOM 387 N ASN A 25 93.606 11.956 -2.870 1.00 0.00 N ATOM 388 CA ASN A 25 94.396 13.139 -2.528 1.00 0.00 C ATOM 389 C ASN A 25 95.681 12.733 -1.803 1.00 0.00 C ATOM 390 O ASN A 25 96.748 13.300 -2.051 1.00 0.00 O ATOM 391 CB ASN A 25 93.580 14.093 -1.646 1.00 0.00 C ATOM 392 CG ASN A 25 92.539 14.847 -2.481 1.00 0.00 C ATOM 393 OD1 ASN A 25 92.665 14.954 -3.703 1.00 0.00 O ATOM 394 ND2 ASN A 25 91.507 15.382 -1.887 1.00 0.00 N ATOM 0 H ASN A 25 92.734 11.867 -2.349 1.00 0.00 H new ATOM 0 HA ASN A 25 94.659 13.652 -3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.082 13.530 -0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.246 14.804 -1.158 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.809 15.886 -2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.399 15.296 -0.876 1.00 0.00 H new ATOM 401 N VAL A 26 95.556 11.756 -0.898 1.00 0.00 N ATOM 402 CA VAL A 26 96.700 11.273 -0.115 1.00 0.00 C ATOM 403 C VAL A 26 97.769 10.679 -1.036 1.00 0.00 C ATOM 404 O VAL A 26 98.958 10.968 -0.874 1.00 0.00 O ATOM 405 CB VAL A 26 96.227 10.211 0.904 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.417 9.664 1.711 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.215 10.840 1.875 1.00 0.00 C ATOM 0 H VAL A 26 94.676 11.285 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 26 97.137 12.115 0.422 1.00 0.00 H new ATOM 0 HB VAL A 26 95.762 9.393 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.062 8.918 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.136 9.205 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 26 97.897 10.481 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 26 94.883 10.089 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.686 11.666 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.356 11.211 1.316 1.00 0.00 H new ATOM 417 N LYS A 27 97.340 9.829 -1.972 1.00 0.00 N ATOM 418 CA LYS A 27 98.285 9.180 -2.883 1.00 0.00 C ATOM 419 C LYS A 27 99.107 10.228 -3.625 1.00 0.00 C ATOM 420 O LYS A 27 100.330 10.107 -3.712 1.00 0.00 O ATOM 421 CB LYS A 27 97.543 8.291 -3.881 1.00 0.00 C ATOM 422 CG LYS A 27 96.962 7.080 -3.149 1.00 0.00 C ATOM 423 CD LYS A 27 96.223 6.188 -4.145 1.00 0.00 C ATOM 424 CE LYS A 27 95.645 4.976 -3.413 1.00 0.00 C ATOM 425 NZ LYS A 27 96.749 4.048 -3.038 1.00 0.00 N ATOM 0 H LYS A 27 96.362 9.577 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 27 98.958 8.556 -2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.745 8.855 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.222 7.963 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.760 6.518 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.281 7.409 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.424 6.749 -4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 27 96.904 5.861 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 27 95.108 5.299 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 27 94.925 4.463 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 96.348 3.158 -2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 97.336 3.851 -3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 97.335 4.486 -2.299 1.00 0.00 H new ATOM 439 N ALA A 28 98.430 11.248 -4.155 1.00 0.00 N ATOM 440 CA ALA A 28 99.112 12.315 -4.891 1.00 0.00 C ATOM 441 C ALA A 28 100.230 12.925 -4.047 1.00 0.00 C ATOM 442 O ALA A 28 101.310 13.217 -4.565 1.00 0.00 O ATOM 443 CB ALA A 28 98.111 13.402 -5.285 1.00 0.00 C ATOM 0 H ALA A 28 97.418 11.358 -4.090 1.00 0.00 H new ATOM 0 HA ALA A 28 99.551 11.884 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.627 14.191 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.335 12.970 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.656 13.821 -4.387 1.00 0.00 H new ATOM 449 N LYS A 29 99.968 13.102 -2.747 1.00 0.00 N ATOM 450 CA LYS A 29 100.974 13.658 -1.837 1.00 0.00 C ATOM 451 C LYS A 29 102.175 12.721 -1.750 1.00 0.00 C ATOM 452 O LYS A 29 103.328 13.164 -1.756 1.00 0.00 O ATOM 453 CB LYS A 29 100.380 13.855 -0.441 1.00 0.00 C ATOM 454 CG LYS A 29 99.334 14.973 -0.472 1.00 0.00 C ATOM 455 CD LYS A 29 98.761 15.171 0.934 1.00 0.00 C ATOM 456 CE LYS A 29 97.707 16.281 0.909 1.00 0.00 C ATOM 457 NZ LYS A 29 97.135 16.452 2.276 1.00 0.00 N ATOM 0 H LYS A 29 99.078 12.871 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 29 101.295 14.624 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 29 99.923 12.927 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.170 14.104 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.786 15.899 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.536 14.720 -1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.316 14.242 1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.559 15.430 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 29 98.155 17.215 0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 29 96.917 16.032 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.874 17.448 2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.289 15.855 2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 97.842 16.172 2.986 1.00 0.00 H new ATOM 471 N ILE A 30 101.884 11.420 -1.671 1.00 0.00 N ATOM 472 CA ILE A 30 102.926 10.403 -1.588 1.00 0.00 C ATOM 473 C ILE A 30 103.765 10.424 -2.868 1.00 0.00 C ATOM 474 O ILE A 30 104.984 10.304 -2.813 1.00 0.00 O ATOM 475 CB ILE A 30 102.294 9.010 -1.376 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.615 8.974 0.002 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.382 7.915 -1.426 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.704 7.745 0.110 1.00 0.00 C ATOM 0 H ILE A 30 100.934 11.050 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 30 103.573 10.618 -0.738 1.00 0.00 H new ATOM 0 HB ILE A 30 101.565 8.826 -2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.370 8.946 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 30 101.032 9.883 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 30 102.922 6.938 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 30 103.876 7.937 -2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.116 8.096 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.228 7.730 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 30 99.938 7.791 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.297 6.840 -0.019 1.00 0.00 H new ATOM 490 N GLN A 31 103.091 10.555 -4.016 1.00 0.00 N ATOM 491 CA GLN A 31 103.777 10.564 -5.310 1.00 0.00 C ATOM 492 C GLN A 31 104.924 11.573 -5.300 1.00 0.00 C ATOM 493 O GLN A 31 106.003 11.294 -5.816 1.00 0.00 O ATOM 494 CB GLN A 31 102.778 10.926 -6.416 1.00 0.00 C ATOM 495 CG GLN A 31 103.442 10.794 -7.796 1.00 0.00 C ATOM 496 CD GLN A 31 102.482 11.236 -8.902 1.00 0.00 C ATOM 497 OE1 GLN A 31 101.266 11.287 -8.704 1.00 0.00 O ATOM 498 NE2 GLN A 31 102.963 11.569 -10.066 1.00 0.00 N ATOM 0 H GLN A 31 102.078 10.656 -4.074 1.00 0.00 H new ATOM 0 HA GLN A 31 104.188 9.572 -5.498 1.00 0.00 H new ATOM 0 HB2 GLN A 31 101.908 10.271 -6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.420 11.945 -6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 31 104.347 11.401 -7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 31 103.745 9.760 -7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 31 103.968 11.528 -10.233 1.00 0.00 H new ATOM 0 HE22 GLN A 31 102.334 11.871 -10.810 1.00 0.00 H new ATOM 507 N ASP A 32 104.673 12.743 -4.725 1.00 0.00 N ATOM 508 CA ASP A 32 105.686 13.796 -4.654 1.00 0.00 C ATOM 509 C ASP A 32 106.877 13.405 -3.772 1.00 0.00 C ATOM 510 O ASP A 32 108.012 13.790 -4.056 1.00 0.00 O ATOM 511 CB ASP A 32 105.058 15.088 -4.129 1.00 0.00 C ATOM 512 CG ASP A 32 104.410 15.856 -5.275 1.00 0.00 C ATOM 513 OD1 ASP A 32 103.284 16.291 -5.111 1.00 0.00 O ATOM 514 OD2 ASP A 32 105.054 16.001 -6.304 1.00 0.00 O ATOM 0 H ASP A 32 103.779 12.989 -4.301 1.00 0.00 H new ATOM 0 HA ASP A 32 106.065 13.947 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 32 104.313 14.857 -3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 32 105.820 15.705 -3.652 1.00 0.00 H new ATOM 519 N LYS A 33 106.607 12.672 -2.683 1.00 0.00 N ATOM 520 CA LYS A 33 107.670 12.275 -1.748 1.00 0.00 C ATOM 521 C LYS A 33 108.451 11.037 -2.189 1.00 0.00 C ATOM 522 O LYS A 33 109.681 11.016 -2.087 1.00 0.00 O ATOM 523 CB LYS A 33 107.084 12.012 -0.361 1.00 0.00 C ATOM 524 CG LYS A 33 106.657 13.334 0.277 1.00 0.00 C ATOM 525 CD LYS A 33 106.072 13.073 1.664 1.00 0.00 C ATOM 526 CE LYS A 33 105.640 14.399 2.291 1.00 0.00 C ATOM 527 NZ LYS A 33 105.059 14.145 3.639 1.00 0.00 N ATOM 0 H LYS A 33 105.675 12.345 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 33 108.369 13.111 -1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.228 11.341 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 33 107.823 11.515 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.513 14.005 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 33 105.918 13.830 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.219 12.398 1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 33 106.812 12.583 2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 33 106.495 15.071 2.372 1.00 0.00 H new ATOM 0 HE3 LYS A 33 104.906 14.893 1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 104.105 14.555 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 105.004 13.120 3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 105.662 14.582 4.365 1.00 0.00 H new ATOM 541 N GLU A 34 107.743 10.006 -2.645 1.00 0.00 N ATOM 542 CA GLU A 34 108.388 8.756 -3.059 1.00 0.00 C ATOM 543 C GLU A 34 108.594 8.683 -4.575 1.00 0.00 C ATOM 544 O GLU A 34 109.269 7.770 -5.060 1.00 0.00 O ATOM 545 CB GLU A 34 107.529 7.572 -2.612 1.00 0.00 C ATOM 546 CG GLU A 34 107.506 7.496 -1.078 1.00 0.00 C ATOM 547 CD GLU A 34 106.573 6.373 -0.593 1.00 0.00 C ATOM 548 OE1 GLU A 34 106.136 5.571 -1.407 1.00 0.00 O ATOM 549 OE2 GLU A 34 106.299 6.340 0.595 1.00 0.00 O ATOM 0 H GLU A 34 106.727 10.008 -2.738 1.00 0.00 H new ATOM 0 HA GLU A 34 109.371 8.721 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.514 7.682 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 34 107.927 6.645 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 34 108.515 7.322 -0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 34 107.175 8.450 -0.668 1.00 0.00 H new ATOM 556 N GLY A 35 108.030 9.642 -5.314 1.00 0.00 N ATOM 557 CA GLY A 35 108.174 9.672 -6.764 1.00 0.00 C ATOM 558 C GLY A 35 107.512 8.466 -7.425 1.00 0.00 C ATOM 559 O GLY A 35 107.891 8.092 -8.539 1.00 0.00 O ATOM 0 H GLY A 35 107.472 10.404 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 35 107.732 10.589 -7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.232 9.693 -7.024 1.00 0.00 H new ATOM 563 N ILE A 36 106.534 7.847 -6.742 1.00 0.00 N ATOM 564 CA ILE A 36 105.855 6.672 -7.297 1.00 0.00 C ATOM 565 C ILE A 36 104.413 7.020 -7.726 1.00 0.00 C ATOM 566 O ILE A 36 103.693 7.678 -6.966 1.00 0.00 O ATOM 567 CB ILE A 36 105.836 5.509 -6.286 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.281 5.162 -5.884 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.184 4.270 -6.934 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.277 4.299 -4.621 1.00 0.00 C ATOM 0 H ILE A 36 106.203 8.137 -5.822 1.00 0.00 H new ATOM 0 HA ILE A 36 106.416 6.356 -8.176 1.00 0.00 H new ATOM 0 HB ILE A 36 105.265 5.805 -5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.776 4.630 -6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 36 107.848 6.076 -5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.172 3.449 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 36 104.162 4.509 -7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 36 105.757 3.976 -7.813 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.303 4.057 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 36 106.799 4.846 -3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.726 3.378 -4.811 1.00 0.00 H new ATOM 582 N PRO A 37 103.971 6.590 -8.913 1.00 0.00 N ATOM 583 CA PRO A 37 102.589 6.878 -9.398 1.00 0.00 C ATOM 584 C PRO A 37 101.498 6.330 -8.450 1.00 0.00 C ATOM 585 O PRO A 37 101.675 5.251 -7.874 1.00 0.00 O ATOM 586 CB PRO A 37 102.509 6.194 -10.767 1.00 0.00 C ATOM 587 CG PRO A 37 103.919 5.988 -11.194 1.00 0.00 C ATOM 588 CD PRO A 37 104.718 5.798 -9.919 1.00 0.00 C ATOM 0 HA PRO A 37 102.408 7.952 -9.446 1.00 0.00 H new ATOM 0 HB2 PRO A 37 101.977 5.245 -10.701 1.00 0.00 H new ATOM 0 HB3 PRO A 37 101.969 6.813 -11.483 1.00 0.00 H new ATOM 0 HG2 PRO A 37 104.007 5.117 -11.843 1.00 0.00 H new ATOM 0 HG3 PRO A 37 104.285 6.845 -11.760 1.00 0.00 H new ATOM 0 HD2 PRO A 37 104.777 4.747 -9.637 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.741 6.156 -10.031 1.00 0.00 H new ATOM 596 N PRO A 38 100.377 7.038 -8.274 1.00 0.00 N ATOM 597 CA PRO A 38 99.268 6.577 -7.375 1.00 0.00 C ATOM 598 C PRO A 38 98.777 5.173 -7.732 1.00 0.00 C ATOM 599 O PRO A 38 98.497 4.363 -6.848 1.00 0.00 O ATOM 600 CB PRO A 38 98.156 7.614 -7.592 1.00 0.00 C ATOM 601 CG PRO A 38 98.833 8.831 -8.120 1.00 0.00 C ATOM 602 CD PRO A 38 100.044 8.340 -8.900 1.00 0.00 C ATOM 0 HA PRO A 38 99.594 6.508 -6.337 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.410 7.245 -8.296 1.00 0.00 H new ATOM 0 HB3 PRO A 38 97.635 7.830 -6.659 1.00 0.00 H new ATOM 0 HG2 PRO A 38 98.162 9.402 -8.762 1.00 0.00 H new ATOM 0 HG3 PRO A 38 99.135 9.492 -7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 38 99.815 8.225 -9.960 1.00 0.00 H new ATOM 0 HD3 PRO A 38 100.875 9.041 -8.827 1.00 0.00 H new ATOM 610 N ASP A 39 98.680 4.902 -9.033 1.00 0.00 N ATOM 611 CA ASP A 39 98.220 3.596 -9.519 1.00 0.00 C ATOM 612 C ASP A 39 99.182 2.476 -9.116 1.00 0.00 C ATOM 613 O ASP A 39 98.758 1.335 -8.914 1.00 0.00 O ATOM 614 CB ASP A 39 98.088 3.618 -11.044 1.00 0.00 C ATOM 615 CG ASP A 39 99.401 4.071 -11.677 1.00 0.00 C ATOM 616 OD1 ASP A 39 99.975 3.297 -12.423 1.00 0.00 O ATOM 617 OD2 ASP A 39 99.810 5.189 -11.409 1.00 0.00 O ATOM 0 H ASP A 39 98.913 5.567 -9.771 1.00 0.00 H new ATOM 0 HA ASP A 39 97.249 3.400 -9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 39 97.823 2.625 -11.408 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.282 4.291 -11.338 1.00 0.00 H new ATOM 622 N GLN A 40 100.471 2.805 -9.010 1.00 0.00 N ATOM 623 CA GLN A 40 101.487 1.815 -8.640 1.00 0.00 C ATOM 624 C GLN A 40 101.519 1.564 -7.124 1.00 0.00 C ATOM 625 O GLN A 40 102.242 0.686 -6.660 1.00 0.00 O ATOM 626 CB GLN A 40 102.867 2.287 -9.111 1.00 0.00 C ATOM 627 CG GLN A 40 103.860 1.115 -9.071 1.00 0.00 C ATOM 628 CD GLN A 40 105.211 1.528 -9.651 1.00 0.00 C ATOM 629 OE1 GLN A 40 105.308 2.486 -10.422 1.00 0.00 O ATOM 630 NE2 GLN A 40 106.272 0.847 -9.322 1.00 0.00 N ATOM 0 H GLN A 40 100.836 3.743 -9.174 1.00 0.00 H new ATOM 0 HA GLN A 40 101.226 0.876 -9.128 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.799 2.684 -10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 40 103.221 3.098 -8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.989 0.777 -8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 40 103.459 0.273 -9.636 1.00 0.00 H new ATOM 0 HE21 GLN A 40 106.192 0.055 -8.684 1.00 0.00 H new ATOM 0 HE22 GLN A 40 107.182 1.106 -9.702 1.00 0.00 H new ATOM 639 N GLN A 41 100.742 2.333 -6.356 1.00 0.00 N ATOM 640 CA GLN A 41 100.708 2.172 -4.904 1.00 0.00 C ATOM 641 C GLN A 41 99.291 1.939 -4.404 1.00 0.00 C ATOM 642 O GLN A 41 98.366 2.672 -4.761 1.00 0.00 O ATOM 643 CB GLN A 41 101.283 3.417 -4.232 1.00 0.00 C ATOM 644 CG GLN A 41 102.782 3.498 -4.512 1.00 0.00 C ATOM 645 CD GLN A 41 103.346 4.791 -3.940 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.730 5.848 -4.069 1.00 0.00 O ATOM 647 NE2 GLN A 41 104.490 4.771 -3.315 1.00 0.00 N ATOM 0 H GLN A 41 100.133 3.068 -6.715 1.00 0.00 H new ATOM 0 HA GLN A 41 101.309 1.299 -4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.783 4.310 -4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 41 101.104 3.379 -3.157 1.00 0.00 H new ATOM 0 HG2 GLN A 41 103.290 2.642 -4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.963 3.456 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.998 3.893 -3.210 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.877 5.633 -2.931 1.00 0.00 H new ATOM 656 N ARG A 42 99.146 0.921 -3.559 1.00 0.00 N ATOM 657 CA ARG A 42 97.857 0.584 -2.970 1.00 0.00 C ATOM 658 C ARG A 42 97.987 0.584 -1.456 1.00 0.00 C ATOM 659 O ARG A 42 98.870 -0.080 -0.908 1.00 0.00 O ATOM 660 CB ARG A 42 97.403 -0.799 -3.441 1.00 0.00 C ATOM 661 CG ARG A 42 97.117 -0.757 -4.940 1.00 0.00 C ATOM 662 CD ARG A 42 96.545 -2.099 -5.384 1.00 0.00 C ATOM 663 NE ARG A 42 96.255 -2.060 -6.820 1.00 0.00 N ATOM 664 CZ ARG A 42 95.081 -1.631 -7.319 1.00 0.00 C ATOM 665 NH1 ARG A 42 94.112 -1.205 -6.540 1.00 0.00 N ATOM 666 NH2 ARG A 42 94.902 -1.632 -8.611 1.00 0.00 N ATOM 0 H ARG A 42 99.911 0.313 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 42 97.118 1.322 -3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.174 -1.539 -3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.509 -1.105 -2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.412 0.044 -5.165 1.00 0.00 H new ATOM 0 HG3 ARG A 42 98.032 -0.539 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 42 97.255 -2.897 -5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 42 95.636 -2.321 -4.825 1.00 0.00 H new ATOM 0 HE ARG A 42 96.976 -2.372 -7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 42 94.239 -1.194 -5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 42 93.233 -0.886 -6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 42 95.647 -1.955 -9.229 1.00 0.00 H new ATOM 0 HH22 ARG A 42 94.017 -1.310 -9.004 1.00 0.00 H new ATOM 680 N LEU A 43 97.125 1.347 -0.788 1.00 0.00 N ATOM 681 CA LEU A 43 97.168 1.450 0.667 1.00 0.00 C ATOM 682 C LEU A 43 96.182 0.490 1.321 1.00 0.00 C ATOM 683 O LEU A 43 95.060 0.312 0.842 1.00 0.00 O ATOM 684 CB LEU A 43 96.828 2.884 1.087 1.00 0.00 C ATOM 685 CG LEU A 43 97.983 3.828 0.726 1.00 0.00 C ATOM 686 CD1 LEU A 43 97.501 5.279 0.804 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.139 3.633 1.713 1.00 0.00 C ATOM 0 H LEU A 43 96.391 1.901 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 43 98.173 1.187 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 43 95.914 3.209 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 43 96.639 2.922 2.160 1.00 0.00 H new ATOM 0 HG LEU A 43 98.323 3.605 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.321 5.949 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 43 96.679 5.427 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.159 5.495 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 43 99.957 4.305 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 43 98.796 3.853 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.488 2.601 1.665 1.00 0.00 H new ATOM 699 N ILE A 44 96.611 -0.099 2.438 1.00 0.00 N ATOM 700 CA ILE A 44 95.769 -1.015 3.199 1.00 0.00 C ATOM 701 C ILE A 44 95.801 -0.620 4.667 1.00 0.00 C ATOM 702 O ILE A 44 96.840 -0.228 5.203 1.00 0.00 O ATOM 703 CB ILE A 44 96.210 -2.480 3.017 1.00 0.00 C ATOM 704 CG1 ILE A 44 96.019 -2.868 1.541 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.358 -3.412 3.915 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.567 -4.274 1.278 1.00 0.00 C ATOM 0 H ILE A 44 97.540 0.044 2.834 1.00 0.00 H new ATOM 0 HA ILE A 44 94.748 -0.942 2.823 1.00 0.00 H new ATOM 0 HB ILE A 44 97.257 -2.586 3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 44 94.961 -2.830 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.529 -2.148 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.680 -4.444 3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.487 -3.128 4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.307 -3.320 3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.423 -4.530 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.631 -4.300 1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 44 96.038 -4.993 1.903 1.00 0.00 H new ATOM 718 N PHE A 45 94.645 -0.750 5.295 1.00 0.00 N ATOM 719 CA PHE A 45 94.490 -0.431 6.702 1.00 0.00 C ATOM 720 C PHE A 45 93.719 -1.541 7.413 1.00 0.00 C ATOM 721 O PHE A 45 92.702 -2.021 6.915 1.00 0.00 O ATOM 722 CB PHE A 45 93.758 0.914 6.850 1.00 0.00 C ATOM 723 CG PHE A 45 93.631 1.289 8.318 1.00 0.00 C ATOM 724 CD1 PHE A 45 94.776 1.567 9.074 1.00 0.00 C ATOM 725 CD2 PHE A 45 92.367 1.347 8.919 1.00 0.00 C ATOM 726 CE1 PHE A 45 94.658 1.908 10.426 1.00 0.00 C ATOM 727 CE2 PHE A 45 92.248 1.688 10.269 1.00 0.00 C ATOM 728 CZ PHE A 45 93.394 1.966 11.024 1.00 0.00 C ATOM 0 H PHE A 45 93.791 -1.079 4.845 1.00 0.00 H new ATOM 0 HA PHE A 45 95.475 -0.349 7.162 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.302 1.692 6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 45 92.768 0.849 6.398 1.00 0.00 H new ATOM 0 HD1 PHE A 45 95.752 1.518 8.613 1.00 0.00 H new ATOM 0 HD2 PHE A 45 91.483 1.128 8.338 1.00 0.00 H new ATOM 0 HE1 PHE A 45 95.542 2.126 11.007 1.00 0.00 H new ATOM 0 HE2 PHE A 45 91.272 1.737 10.730 1.00 0.00 H new ATOM 0 HZ PHE A 45 93.302 2.225 12.068 1.00 0.00 H new ATOM 738 N ALA A 46 94.221 -1.921 8.581 1.00 0.00 N ATOM 739 CA ALA A 46 93.594 -2.965 9.399 1.00 0.00 C ATOM 740 C ALA A 46 93.326 -4.237 8.580 1.00 0.00 C ATOM 741 O ALA A 46 92.497 -5.063 8.969 1.00 0.00 O ATOM 742 CB ALA A 46 92.280 -2.455 10.005 1.00 0.00 C ATOM 0 H ALA A 46 95.066 -1.522 8.990 1.00 0.00 H new ATOM 0 HA ALA A 46 94.289 -3.214 10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 46 91.828 -3.242 10.609 1.00 0.00 H new ATOM 0 HB2 ALA A 46 92.482 -1.587 10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.595 -2.173 9.205 1.00 0.00 H new ATOM 748 N GLY A 47 94.050 -4.400 7.465 1.00 0.00 N ATOM 749 CA GLY A 47 93.904 -5.589 6.621 1.00 0.00 C ATOM 750 C GLY A 47 93.022 -5.339 5.391 1.00 0.00 C ATOM 751 O GLY A 47 93.133 -6.061 4.397 1.00 0.00 O ATOM 0 H GLY A 47 94.739 -3.727 7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.890 -5.921 6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.475 -6.398 7.212 1.00 0.00 H new ATOM 755 N LYS A 48 92.153 -4.325 5.457 1.00 0.00 N ATOM 756 CA LYS A 48 91.262 -4.003 4.333 1.00 0.00 C ATOM 757 C LYS A 48 91.845 -2.869 3.495 1.00 0.00 C ATOM 758 O LYS A 48 92.565 -2.022 4.017 1.00 0.00 O ATOM 759 CB LYS A 48 89.864 -3.609 4.841 1.00 0.00 C ATOM 760 CG LYS A 48 89.959 -2.397 5.780 1.00 0.00 C ATOM 761 CD LYS A 48 88.558 -1.963 6.211 1.00 0.00 C ATOM 762 CE LYS A 48 88.666 -0.765 7.157 1.00 0.00 C ATOM 763 NZ LYS A 48 87.304 -0.338 7.582 1.00 0.00 N ATOM 0 H LYS A 48 92.046 -3.717 6.269 1.00 0.00 H new ATOM 0 HA LYS A 48 91.171 -4.893 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 48 89.216 -3.373 3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.410 -4.450 5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 48 90.556 -2.650 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.465 -1.574 5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 48 87.962 -1.698 5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.046 -2.788 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.263 -1.031 8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 48 89.177 0.059 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 87.380 0.476 8.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 86.748 -0.068 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 86.831 -1.124 8.073 1.00 0.00 H new ATOM 777 N GLN A 49 91.513 -2.851 2.203 1.00 0.00 N ATOM 778 CA GLN A 49 92.002 -1.810 1.305 1.00 0.00 C ATOM 779 C GLN A 49 91.193 -0.529 1.468 1.00 0.00 C ATOM 780 O GLN A 49 89.999 -0.568 1.778 1.00 0.00 O ATOM 781 CB GLN A 49 91.913 -2.282 -0.144 1.00 0.00 C ATOM 782 CG GLN A 49 92.711 -1.332 -1.039 1.00 0.00 C ATOM 783 CD GLN A 49 92.654 -1.808 -2.485 1.00 0.00 C ATOM 784 OE1 GLN A 49 91.585 -2.165 -2.980 1.00 0.00 O ATOM 785 NE2 GLN A 49 93.749 -1.841 -3.193 1.00 0.00 N ATOM 0 H GLN A 49 90.910 -3.543 1.759 1.00 0.00 H new ATOM 0 HA GLN A 49 93.042 -1.605 1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 49 92.303 -3.296 -0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 49 90.872 -2.312 -0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 49 92.307 -0.323 -0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 49 93.747 -1.287 -0.703 1.00 0.00 H new ATOM 0 HE21 GLN A 49 94.633 -1.544 -2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 49 93.721 -2.163 -4.160 1.00 0.00 H new ATOM 794 N LEU A 50 91.862 0.600 1.241 1.00 0.00 N ATOM 795 CA LEU A 50 91.221 1.904 1.352 1.00 0.00 C ATOM 796 C LEU A 50 90.688 2.341 -0.006 1.00 0.00 C ATOM 797 O LEU A 50 91.454 2.513 -0.959 1.00 0.00 O ATOM 798 CB LEU A 50 92.230 2.932 1.873 1.00 0.00 C ATOM 799 CG LEU A 50 92.668 2.558 3.297 1.00 0.00 C ATOM 800 CD1 LEU A 50 93.900 3.378 3.681 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.537 2.858 4.288 1.00 0.00 C ATOM 0 H LEU A 50 92.847 0.636 0.979 1.00 0.00 H new ATOM 0 HA LEU A 50 90.388 1.834 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.098 2.969 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 50 91.784 3.927 1.870 1.00 0.00 H new ATOM 0 HG LEU A 50 92.905 1.494 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.212 3.114 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 50 94.710 3.166 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.657 4.440 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 50 91.855 2.590 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.296 3.920 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 50 90.655 2.277 4.020 1.00 0.00 H new ATOM 813 N GLU A 51 89.371 2.504 -0.079 1.00 0.00 N ATOM 814 CA GLU A 51 88.714 2.909 -1.320 1.00 0.00 C ATOM 815 C GLU A 51 89.140 4.320 -1.707 1.00 0.00 C ATOM 816 O GLU A 51 89.069 5.248 -0.898 1.00 0.00 O ATOM 817 CB GLU A 51 87.199 2.854 -1.145 1.00 0.00 C ATOM 818 CG GLU A 51 86.505 3.074 -2.495 1.00 0.00 C ATOM 819 CD GLU A 51 84.981 2.957 -2.354 1.00 0.00 C ATOM 820 OE1 GLU A 51 84.294 3.476 -3.212 1.00 0.00 O ATOM 821 OE2 GLU A 51 84.523 2.336 -1.402 1.00 0.00 O ATOM 0 H GLU A 51 88.736 2.362 0.706 1.00 0.00 H new ATOM 0 HA GLU A 51 89.009 2.223 -2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 51 86.908 1.889 -0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 51 86.879 3.616 -0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 51 86.763 4.059 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 51 86.865 2.341 -3.217 1.00 0.00 H new ATOM 828 N ASP A 52 89.596 4.459 -2.950 1.00 0.00 N ATOM 829 CA ASP A 52 90.067 5.744 -3.457 1.00 0.00 C ATOM 830 C ASP A 52 88.981 6.816 -3.365 1.00 0.00 C ATOM 831 O ASP A 52 89.284 7.986 -3.097 1.00 0.00 O ATOM 832 CB ASP A 52 90.510 5.586 -4.916 1.00 0.00 C ATOM 833 CG ASP A 52 91.955 5.075 -4.991 1.00 0.00 C ATOM 834 OD1 ASP A 52 92.725 5.337 -4.076 1.00 0.00 O ATOM 835 OD2 ASP A 52 92.269 4.414 -5.965 1.00 0.00 O ATOM 0 H ASP A 52 89.649 3.696 -3.625 1.00 0.00 H new ATOM 0 HA ASP A 52 90.908 6.063 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 52 89.846 4.891 -5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 52 90.430 6.543 -5.431 1.00 0.00 H new ATOM 840 N GLY A 53 87.730 6.416 -3.603 1.00 0.00 N ATOM 841 CA GLY A 53 86.598 7.346 -3.562 1.00 0.00 C ATOM 842 C GLY A 53 86.077 7.592 -2.141 1.00 0.00 C ATOM 843 O GLY A 53 85.017 8.203 -1.969 1.00 0.00 O ATOM 0 H GLY A 53 87.475 5.454 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.899 8.296 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.789 6.952 -4.177 1.00 0.00 H new ATOM 847 N ARG A 54 86.822 7.132 -1.130 1.00 0.00 N ATOM 848 CA ARG A 54 86.427 7.323 0.262 1.00 0.00 C ATOM 849 C ARG A 54 87.395 8.254 0.971 1.00 0.00 C ATOM 850 O ARG A 54 88.515 8.470 0.506 1.00 0.00 O ATOM 851 CB ARG A 54 86.379 5.981 0.996 1.00 0.00 C ATOM 852 CG ARG A 54 85.011 5.323 0.771 1.00 0.00 C ATOM 853 CD ARG A 54 84.751 4.285 1.857 1.00 0.00 C ATOM 854 NE ARG A 54 85.500 3.057 1.574 1.00 0.00 N ATOM 855 CZ ARG A 54 84.903 1.889 1.269 1.00 0.00 C ATOM 856 NH1 ARG A 54 83.593 1.775 1.202 1.00 0.00 N ATOM 857 NH2 ARG A 54 85.641 0.843 1.029 1.00 0.00 N ATOM 0 H ARG A 54 87.699 6.626 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 54 85.433 7.771 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.173 5.328 0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.551 6.131 2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.227 6.080 0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.982 4.850 -0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.045 4.683 2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.685 4.065 1.912 1.00 0.00 H new ATOM 0 HE ARG A 54 86.519 3.089 1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 54 83.001 2.585 1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 54 83.171 0.876 0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 54 86.657 0.915 1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 54 85.202 -0.048 0.797 1.00 0.00 H new ATOM 871 N THR A 55 86.945 8.804 2.104 1.00 0.00 N ATOM 872 CA THR A 55 87.770 9.723 2.885 1.00 0.00 C ATOM 873 C THR A 55 88.354 9.032 4.111 1.00 0.00 C ATOM 874 O THR A 55 87.862 7.989 4.547 1.00 0.00 O ATOM 875 CB THR A 55 86.941 10.937 3.325 1.00 0.00 C ATOM 876 OG1 THR A 55 85.817 10.494 4.071 1.00 0.00 O ATOM 877 CG2 THR A 55 86.470 11.726 2.098 1.00 0.00 C ATOM 0 H THR A 55 86.020 8.628 2.496 1.00 0.00 H new ATOM 0 HA THR A 55 88.592 10.055 2.251 1.00 0.00 H new ATOM 0 HB THR A 55 87.558 11.587 3.945 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.143 10.129 3.461 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.883 12.585 2.421 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.336 12.070 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.856 11.084 1.466 1.00 0.00 H new ATOM 885 N LEU A 56 89.430 9.616 4.634 1.00 0.00 N ATOM 886 CA LEU A 56 90.124 9.062 5.793 1.00 0.00 C ATOM 887 C LEU A 56 89.207 9.025 7.013 1.00 0.00 C ATOM 888 O LEU A 56 89.207 8.045 7.761 1.00 0.00 O ATOM 889 CB LEU A 56 91.367 9.904 6.105 1.00 0.00 C ATOM 890 CG LEU A 56 92.383 9.790 4.959 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.479 10.842 5.141 1.00 0.00 C ATOM 892 CD2 LEU A 56 93.025 8.396 4.959 1.00 0.00 C ATOM 0 H LEU A 56 89.841 10.476 4.271 1.00 0.00 H new ATOM 0 HA LEU A 56 90.424 8.041 5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 56 91.083 10.947 6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.820 9.567 7.037 1.00 0.00 H new ATOM 0 HG LEU A 56 91.866 9.950 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.200 10.761 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 56 93.033 11.837 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.986 10.679 6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.744 8.326 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.536 8.231 5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.252 7.639 4.827 1.00 0.00 H new ATOM 904 N SER A 57 88.427 10.091 7.204 1.00 0.00 N ATOM 905 CA SER A 57 87.501 10.165 8.339 1.00 0.00 C ATOM 906 C SER A 57 86.469 9.037 8.268 1.00 0.00 C ATOM 907 O SER A 57 86.025 8.526 9.299 1.00 0.00 O ATOM 908 CB SER A 57 86.783 11.512 8.354 1.00 0.00 C ATOM 909 OG SER A 57 86.055 11.668 7.144 1.00 0.00 O ATOM 0 H SER A 57 88.416 10.909 6.594 1.00 0.00 H new ATOM 0 HA SER A 57 88.081 10.058 9.255 1.00 0.00 H new ATOM 0 HB2 SER A 57 86.108 11.568 9.208 1.00 0.00 H new ATOM 0 HB3 SER A 57 87.505 12.321 8.465 1.00 0.00 H new ATOM 0 HG SER A 57 85.591 12.531 7.150 1.00 0.00 H new ATOM 915 N ASP A 58 86.105 8.654 7.041 1.00 0.00 N ATOM 916 CA ASP A 58 85.133 7.580 6.826 1.00 0.00 C ATOM 917 C ASP A 58 85.687 6.212 7.235 1.00 0.00 C ATOM 918 O ASP A 58 84.931 5.243 7.331 1.00 0.00 O ATOM 919 CB ASP A 58 84.719 7.549 5.352 1.00 0.00 C ATOM 920 CG ASP A 58 83.840 8.762 5.011 1.00 0.00 C ATOM 921 OD1 ASP A 58 83.666 9.018 3.835 1.00 0.00 O ATOM 922 OD2 ASP A 58 83.342 9.412 5.925 1.00 0.00 O ATOM 0 H ASP A 58 86.468 9.071 6.184 1.00 0.00 H new ATOM 0 HA ASP A 58 84.267 7.786 7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 58 85.607 7.547 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 58 84.175 6.628 5.141 1.00 0.00 H new ATOM 927 N TYR A 59 87.001 6.141 7.475 1.00 0.00 N ATOM 928 CA TYR A 59 87.641 4.888 7.873 1.00 0.00 C ATOM 929 C TYR A 59 87.966 4.854 9.366 1.00 0.00 C ATOM 930 O TYR A 59 88.660 3.938 9.816 1.00 0.00 O ATOM 931 CB TYR A 59 88.931 4.679 7.066 1.00 0.00 C ATOM 932 CG TYR A 59 88.629 3.945 5.778 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.518 4.652 4.578 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.451 2.554 5.794 1.00 0.00 C ATOM 935 CE1 TYR A 59 88.238 3.971 3.390 1.00 0.00 C ATOM 936 CE2 TYR A 59 88.170 1.873 4.604 1.00 0.00 C ATOM 937 CZ TYR A 59 88.061 2.582 3.404 1.00 0.00 C ATOM 938 OH TYR A 59 87.784 1.910 2.232 1.00 0.00 O ATOM 0 H TYR A 59 87.638 6.934 7.400 1.00 0.00 H new ATOM 0 HA TYR A 59 86.934 4.085 7.667 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.390 5.642 6.845 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.650 4.111 7.657 1.00 0.00 H new ATOM 0 HD1 TYR A 59 88.648 5.724 4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.531 2.009 6.723 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.158 4.516 2.461 1.00 0.00 H new ATOM 0 HE2 TYR A 59 88.038 0.801 4.613 1.00 0.00 H new ATOM 0 HH TYR A 59 88.148 1.001 2.282 1.00 0.00 H new ATOM 948 N ASN A 60 87.472 5.834 10.137 1.00 0.00 N ATOM 949 CA ASN A 60 87.734 5.870 11.575 1.00 0.00 C ATOM 950 C ASN A 60 89.242 5.899 11.850 1.00 0.00 C ATOM 951 O ASN A 60 89.733 5.266 12.793 1.00 0.00 O ATOM 952 CB ASN A 60 87.084 4.653 12.252 1.00 0.00 C ATOM 953 CG ASN A 60 85.566 4.746 12.146 1.00 0.00 C ATOM 954 OD1 ASN A 60 84.992 5.820 12.329 1.00 0.00 O ATOM 955 ND2 ASN A 60 84.877 3.676 11.856 1.00 0.00 N ATOM 0 H ASN A 60 86.896 6.601 9.790 1.00 0.00 H new ATOM 0 HA ASN A 60 87.299 6.779 11.990 1.00 0.00 H new ATOM 0 HB2 ASN A 60 87.434 3.734 11.781 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.381 4.607 13.300 1.00 0.00 H new ATOM 0 HD21 ASN A 60 83.861 3.728 11.781 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.354 2.787 11.705 1.00 0.00 H new ATOM 962 N ILE A 61 89.969 6.653 11.018 1.00 0.00 N ATOM 963 CA ILE A 61 91.417 6.779 11.172 1.00 0.00 C ATOM 964 C ILE A 61 91.713 7.997 12.045 1.00 0.00 C ATOM 965 O ILE A 61 91.352 9.123 11.691 1.00 0.00 O ATOM 966 CB ILE A 61 92.093 6.936 9.793 1.00 0.00 C ATOM 967 CG1 ILE A 61 91.763 5.720 8.909 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.620 7.030 9.966 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.099 6.027 7.445 1.00 0.00 C ATOM 0 H ILE A 61 89.579 7.181 10.237 1.00 0.00 H new ATOM 0 HA ILE A 61 91.814 5.880 11.644 1.00 0.00 H new ATOM 0 HB ILE A 61 91.721 7.845 9.321 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.329 4.851 9.246 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.707 5.468 9.003 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.091 7.141 8.989 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.864 7.893 10.586 1.00 0.00 H new ATOM 0 HG23 ILE A 61 93.988 6.123 10.446 1.00 0.00 H new ATOM 0 HD11 ILE A 61 91.862 5.160 6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.514 6.883 7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.161 6.256 7.356 1.00 0.00 H new ATOM 981 N GLN A 62 92.356 7.754 13.186 1.00 0.00 N ATOM 982 CA GLN A 62 92.685 8.824 14.120 1.00 0.00 C ATOM 983 C GLN A 62 94.073 9.401 13.828 1.00 0.00 C ATOM 984 O GLN A 62 94.748 8.976 12.887 1.00 0.00 O ATOM 985 CB GLN A 62 92.623 8.288 15.557 1.00 0.00 C ATOM 986 CG GLN A 62 91.169 7.979 15.924 1.00 0.00 C ATOM 987 CD GLN A 62 91.089 7.375 17.323 1.00 0.00 C ATOM 988 OE1 GLN A 62 91.684 7.900 18.264 1.00 0.00 O ATOM 989 NE2 GLN A 62 90.380 6.295 17.517 1.00 0.00 N ATOM 0 H GLN A 62 92.658 6.826 13.484 1.00 0.00 H new ATOM 0 HA GLN A 62 91.957 9.627 14.001 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.231 7.388 15.647 1.00 0.00 H new ATOM 0 HB3 GLN A 62 93.036 9.022 16.249 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.575 8.892 15.881 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.743 7.287 15.197 1.00 0.00 H new ATOM 0 HE21 GLN A 62 89.888 5.861 16.736 1.00 0.00 H new ATOM 0 HE22 GLN A 62 90.319 5.886 18.449 1.00 0.00 H new ATOM 998 N LYS A 63 94.479 10.369 14.650 1.00 0.00 N ATOM 999 CA LYS A 63 95.772 11.020 14.511 1.00 0.00 C ATOM 1000 C LYS A 63 96.908 10.064 14.852 1.00 0.00 C ATOM 1001 O LYS A 63 96.774 9.221 15.740 1.00 0.00 O ATOM 1002 CB LYS A 63 95.829 12.229 15.443 1.00 0.00 C ATOM 1003 CG LYS A 63 94.856 13.297 14.943 1.00 0.00 C ATOM 1004 CD LYS A 63 94.911 14.516 15.865 1.00 0.00 C ATOM 1005 CE LYS A 63 94.018 15.622 15.301 1.00 0.00 C ATOM 1006 NZ LYS A 63 92.593 15.188 15.353 1.00 0.00 N ATOM 0 H LYS A 63 93.919 10.720 15.427 1.00 0.00 H new ATOM 0 HA LYS A 63 95.890 11.336 13.475 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.570 11.932 16.459 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.842 12.630 15.476 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.112 13.588 13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.843 12.895 14.915 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.581 14.243 16.867 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.937 14.872 15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.151 16.539 15.875 1.00 0.00 H new ATOM 0 HE3 LYS A 63 94.304 15.845 14.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 91.974 16.012 15.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 92.415 14.491 14.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 92.395 14.758 16.279 1.00 0.00 H new ATOM 1020 N GLU A 64 98.028 10.211 14.136 1.00 0.00 N ATOM 1021 CA GLU A 64 99.200 9.371 14.348 1.00 0.00 C ATOM 1022 C GLU A 64 98.836 7.891 14.205 1.00 0.00 C ATOM 1023 O GLU A 64 98.598 7.188 15.194 1.00 0.00 O ATOM 1024 CB GLU A 64 99.790 9.642 15.740 1.00 0.00 C ATOM 1025 CG GLU A 64 101.307 9.411 15.718 1.00 0.00 C ATOM 1026 CD GLU A 64 101.942 9.717 17.085 1.00 0.00 C ATOM 1027 OE1 GLU A 64 101.270 10.289 17.934 1.00 0.00 O ATOM 1028 OE2 GLU A 64 103.100 9.376 17.260 1.00 0.00 O ATOM 0 H GLU A 64 98.142 10.910 13.402 1.00 0.00 H new ATOM 0 HA GLU A 64 99.946 9.614 13.591 1.00 0.00 H new ATOM 0 HB2 GLU A 64 99.574 10.666 16.043 1.00 0.00 H new ATOM 0 HB3 GLU A 64 99.324 8.987 16.476 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.515 8.377 15.442 1.00 0.00 H new ATOM 0 HG3 GLU A 64 101.762 10.042 14.955 1.00 0.00 H new ATOM 1035 N SER A 65 98.804 7.433 12.955 1.00 0.00 N ATOM 1036 CA SER A 65 98.482 6.043 12.652 1.00 0.00 C ATOM 1037 C SER A 65 99.460 5.505 11.615 1.00 0.00 C ATOM 1038 O SER A 65 99.975 6.267 10.792 1.00 0.00 O ATOM 1039 CB SER A 65 97.051 5.940 12.123 1.00 0.00 C ATOM 1040 OG SER A 65 96.958 6.620 10.879 1.00 0.00 O ATOM 0 H SER A 65 98.998 8.007 12.135 1.00 0.00 H new ATOM 0 HA SER A 65 98.563 5.450 13.563 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.771 4.894 12.000 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.354 6.374 12.840 1.00 0.00 H new ATOM 0 HG SER A 65 96.272 6.194 10.324 1.00 0.00 H new ATOM 1046 N THR A 66 99.712 4.195 11.661 1.00 0.00 N ATOM 1047 CA THR A 66 100.640 3.572 10.720 1.00 0.00 C ATOM 1048 C THR A 66 99.877 2.817 9.636 1.00 0.00 C ATOM 1049 O THR A 66 99.127 1.881 9.925 1.00 0.00 O ATOM 1050 CB THR A 66 101.569 2.609 11.464 1.00 0.00 C ATOM 1051 OG1 THR A 66 102.109 3.263 12.604 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.711 2.181 10.537 1.00 0.00 C ATOM 0 H THR A 66 99.291 3.553 12.332 1.00 0.00 H new ATOM 0 HA THR A 66 101.234 4.355 10.249 1.00 0.00 H new ATOM 0 HB THR A 66 101.006 1.730 11.777 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.703 2.648 13.083 1.00 0.00 H new ATOM 0 HG21 THR A 66 103.372 1.495 11.067 1.00 0.00 H new ATOM 0 HG22 THR A 66 102.300 1.683 9.659 1.00 0.00 H new ATOM 0 HG23 THR A 66 103.275 3.060 10.224 1.00 0.00 H new ATOM 1060 N LEU A 67 100.084 3.239 8.390 1.00 0.00 N ATOM 1061 CA LEU A 67 99.428 2.618 7.246 1.00 0.00 C ATOM 1062 C LEU A 67 100.384 1.680 6.527 1.00 0.00 C ATOM 1063 O LEU A 67 101.602 1.859 6.587 1.00 0.00 O ATOM 1064 CB LEU A 67 98.948 3.698 6.270 1.00 0.00 C ATOM 1065 CG LEU A 67 97.812 4.512 6.899 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.584 5.785 6.081 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.518 3.691 6.901 1.00 0.00 C ATOM 0 H LEU A 67 100.704 4.012 8.149 1.00 0.00 H new ATOM 0 HA LEU A 67 98.574 2.045 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.776 4.357 6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.605 3.236 5.344 1.00 0.00 H new ATOM 0 HG LEU A 67 98.086 4.767 7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.776 6.365 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.497 6.381 6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.316 5.518 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.716 4.277 7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.249 3.433 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.667 2.778 7.478 1.00 0.00 H new ATOM 1079 N HIS A 68 99.821 0.684 5.843 1.00 0.00 N ATOM 1080 CA HIS A 68 100.623 -0.282 5.099 1.00 0.00 C ATOM 1081 C HIS A 68 100.612 0.061 3.619 1.00 0.00 C ATOM 1082 O HIS A 68 99.544 0.192 3.012 1.00 0.00 O ATOM 1083 CB HIS A 68 100.075 -1.696 5.301 1.00 0.00 C ATOM 1084 CG HIS A 68 100.330 -2.132 6.717 1.00 0.00 C ATOM 1085 ND1 HIS A 68 101.614 -2.271 7.223 1.00 0.00 N ATOM 1086 CD2 HIS A 68 99.484 -2.467 7.744 1.00 0.00 C ATOM 1087 CE1 HIS A 68 101.505 -2.672 8.500 1.00 0.00 C ATOM 1088 NE2 HIS A 68 100.227 -2.808 8.870 1.00 0.00 N ATOM 0 H HIS A 68 98.815 0.527 5.790 1.00 0.00 H new ATOM 0 HA HIS A 68 101.647 -0.241 5.471 1.00 0.00 H new ATOM 0 HB2 HIS A 68 99.006 -1.717 5.089 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.552 -2.386 4.605 1.00 0.00 H new ATOM 0 HD2 HIS A 68 98.406 -2.466 7.687 1.00 0.00 H new ATOM 0 HE1 HIS A 68 102.347 -2.862 9.149 1.00 0.00 H new ATOM 0 HE2 HIS A 68 99.873 -3.099 9.781 1.00 0.00 H new ATOM 1096 N LEU A 69 101.807 0.207 3.046 1.00 0.00 N ATOM 1097 CA LEU A 69 101.941 0.538 1.633 1.00 0.00 C ATOM 1098 C LEU A 69 102.448 -0.668 0.859 1.00 0.00 C ATOM 1099 O LEU A 69 103.394 -1.336 1.281 1.00 0.00 O ATOM 1100 CB LEU A 69 102.920 1.702 1.442 1.00 0.00 C ATOM 1101 CG LEU A 69 102.871 2.187 -0.018 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.606 3.019 -0.239 1.00 0.00 C ATOM 1103 CD2 LEU A 69 104.103 3.040 -0.327 1.00 0.00 C ATOM 0 H LEU A 69 102.693 0.101 3.540 1.00 0.00 H new ATOM 0 HA LEU A 69 100.960 0.829 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.664 2.520 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 69 103.931 1.385 1.696 1.00 0.00 H new ATOM 0 HG LEU A 69 102.860 1.322 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.572 3.362 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.728 2.408 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.616 3.880 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.060 3.379 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.123 3.904 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 69 105.004 2.445 -0.177 1.00 0.00 H new ATOM 1115 N VAL A 70 101.816 -0.930 -0.281 1.00 0.00 N ATOM 1116 CA VAL A 70 102.197 -2.043 -1.142 1.00 0.00 C ATOM 1117 C VAL A 70 102.518 -1.474 -2.521 1.00 0.00 C ATOM 1118 O VAL A 70 101.902 -0.490 -2.939 1.00 0.00 O ATOM 1119 CB VAL A 70 101.044 -3.061 -1.248 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.482 -4.259 -2.101 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.645 -3.555 0.153 1.00 0.00 C ATOM 0 H VAL A 70 101.031 -0.381 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 70 103.063 -2.559 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 70 100.189 -2.573 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.663 -4.974 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.751 -3.915 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.344 -4.739 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 70 99.830 -4.274 0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.502 -4.033 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.320 -2.709 0.758 1.00 0.00 H new ATOM 1131 N LEU A 71 103.475 -2.085 -3.223 1.00 0.00 N ATOM 1132 CA LEU A 71 103.852 -1.610 -4.552 1.00 0.00 C ATOM 1133 C LEU A 71 103.365 -2.585 -5.614 1.00 0.00 C ATOM 1134 O LEU A 71 103.566 -3.796 -5.491 1.00 0.00 O ATOM 1135 CB LEU A 71 105.374 -1.454 -4.657 1.00 0.00 C ATOM 1136 CG LEU A 71 105.732 -0.702 -5.949 1.00 0.00 C ATOM 1137 CD1 LEU A 71 105.399 0.786 -5.797 1.00 0.00 C ATOM 1138 CD2 LEU A 71 107.226 -0.856 -6.238 1.00 0.00 C ATOM 0 H LEU A 71 103.996 -2.899 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 71 103.386 -0.638 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.754 -0.910 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.851 -2.434 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 71 105.154 -1.120 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.656 1.312 -6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 71 104.334 0.902 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.971 1.204 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 71 107.476 -0.322 -7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.801 -0.444 -5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 71 107.467 -1.912 -6.357 1.00 0.00 H new ATOM 1150 N ARG A 72 102.735 -2.048 -6.659 1.00 0.00 N ATOM 1151 CA ARG A 72 102.231 -2.863 -7.748 1.00 0.00 C ATOM 1152 C ARG A 72 103.147 -2.723 -8.967 1.00 0.00 C ATOM 1153 O ARG A 72 102.903 -1.904 -9.861 1.00 0.00 O ATOM 1154 CB ARG A 72 100.804 -2.433 -8.106 1.00 0.00 C ATOM 1155 CG ARG A 72 100.237 -3.371 -9.176 1.00 0.00 C ATOM 1156 CD ARG A 72 98.865 -2.878 -9.602 1.00 0.00 C ATOM 1157 NE ARG A 72 98.232 -3.850 -10.497 1.00 0.00 N ATOM 1158 CZ ARG A 72 97.208 -3.530 -11.308 1.00 0.00 C ATOM 1159 NH1 ARG A 72 96.712 -2.316 -11.347 1.00 0.00 N ATOM 1160 NH2 ARG A 72 96.696 -4.451 -12.077 1.00 0.00 N ATOM 0 H ARG A 72 102.565 -1.048 -6.768 1.00 0.00 H new ATOM 0 HA ARG A 72 102.215 -3.907 -7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 72 100.173 -2.455 -7.217 1.00 0.00 H new ATOM 0 HB3 ARG A 72 100.804 -1.406 -8.471 1.00 0.00 H new ATOM 0 HG2 ARG A 72 100.906 -3.407 -10.036 1.00 0.00 H new ATOM 0 HG3 ARG A 72 100.166 -4.386 -8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 72 98.239 -2.720 -8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 72 98.957 -1.916 -10.105 1.00 0.00 H new ATOM 0 HE ARG A 72 98.582 -4.808 -10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 72 97.104 -1.586 -10.752 1.00 0.00 H new ATOM 0 HH12 ARG A 72 95.935 -2.102 -11.972 1.00 0.00 H new ATOM 0 HH21 ARG A 72 97.073 -5.399 -12.058 1.00 0.00 H new ATOM 0 HH22 ARG A 72 95.919 -4.223 -12.697 1.00 0.00 H new ATOM 1174 N LEU A 73 104.186 -3.545 -8.998 1.00 0.00 N ATOM 1175 CA LEU A 73 105.129 -3.538 -10.117 1.00 0.00 C ATOM 1176 C LEU A 73 104.605 -4.391 -11.278 1.00 0.00 C ATOM 1177 O LEU A 73 105.278 -4.528 -12.304 1.00 0.00 O ATOM 1178 CB LEU A 73 106.487 -4.078 -9.656 1.00 0.00 C ATOM 1179 CG LEU A 73 107.203 -3.020 -8.807 1.00 0.00 C ATOM 1180 CD1 LEU A 73 108.352 -3.675 -8.038 1.00 0.00 C ATOM 1181 CD2 LEU A 73 107.769 -1.922 -9.715 1.00 0.00 C ATOM 0 H LEU A 73 104.400 -4.224 -8.267 1.00 0.00 H new ATOM 0 HA LEU A 73 105.241 -2.511 -10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 73 106.348 -4.991 -9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 73 107.098 -4.339 -10.520 1.00 0.00 H new ATOM 0 HG LEU A 73 106.491 -2.583 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 73 108.861 -2.923 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 73 107.956 -4.455 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 73 109.058 -4.114 -8.743 1.00 0.00 H new ATOM 0 HD21 LEU A 73 108.277 -1.173 -9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 73 108.478 -2.360 -10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 73 106.956 -1.451 -10.267 1.00 0.00 H new ATOM 1193 N ARG A 74 103.396 -4.946 -11.111 1.00 0.00 N ATOM 1194 CA ARG A 74 102.778 -5.759 -12.135 1.00 0.00 C ATOM 1195 C ARG A 74 101.282 -5.464 -12.205 1.00 0.00 C ATOM 1196 O ARG A 74 100.610 -5.375 -11.174 1.00 0.00 O ATOM 1197 CB ARG A 74 103.008 -7.239 -11.831 1.00 0.00 C ATOM 1198 CG ARG A 74 104.485 -7.576 -12.038 1.00 0.00 C ATOM 1199 CD ARG A 74 104.725 -9.051 -11.718 1.00 0.00 C ATOM 1200 NE ARG A 74 106.146 -9.377 -11.890 1.00 0.00 N ATOM 1201 CZ ARG A 74 106.672 -9.750 -13.072 1.00 0.00 C ATOM 1202 NH1 ARG A 74 105.936 -9.851 -14.155 1.00 0.00 N ATOM 1203 NH2 ARG A 74 107.948 -10.012 -13.146 1.00 0.00 N ATOM 0 H ARG A 74 102.834 -4.838 -10.266 1.00 0.00 H new ATOM 0 HA ARG A 74 103.228 -5.521 -13.099 1.00 0.00 H new ATOM 0 HB2 ARG A 74 102.713 -7.461 -10.805 1.00 0.00 H new ATOM 0 HB3 ARG A 74 102.388 -7.856 -12.482 1.00 0.00 H new ATOM 0 HG2 ARG A 74 104.776 -7.365 -13.067 1.00 0.00 H new ATOM 0 HG3 ARG A 74 105.105 -6.949 -11.397 1.00 0.00 H new ATOM 0 HD2 ARG A 74 104.416 -9.265 -10.695 1.00 0.00 H new ATOM 0 HD3 ARG A 74 104.118 -9.677 -12.372 1.00 0.00 H new ATOM 0 HE ARG A 74 106.762 -9.318 -11.079 1.00 0.00 H new ATOM 0 HH11 ARG A 74 104.938 -9.644 -14.114 1.00 0.00 H new ATOM 0 HH12 ARG A 74 106.362 -10.136 -15.037 1.00 0.00 H new ATOM 0 HH21 ARG A 74 108.534 -9.933 -12.315 1.00 0.00 H new ATOM 0 HH22 ARG A 74 108.360 -10.296 -14.035 1.00 0.00 H new ATOM 1217 N GLY A 75 100.775 -5.319 -13.429 1.00 0.00 N ATOM 1218 CA GLY A 75 99.357 -5.036 -13.645 1.00 0.00 C ATOM 1219 C GLY A 75 99.004 -5.139 -15.124 1.00 0.00 C ATOM 1220 O GLY A 75 99.886 -5.304 -15.970 1.00 0.00 O ATOM 0 H GLY A 75 101.325 -5.393 -14.285 1.00 0.00 H new ATOM 0 HA2 GLY A 75 98.750 -5.737 -13.072 1.00 0.00 H new ATOM 0 HA3 GLY A 75 99.121 -4.037 -13.279 1.00 0.00 H new ATOM 1224 N GLY A 76 97.706 -5.042 -15.423 1.00 0.00 N ATOM 1225 CA GLY A 76 97.230 -5.125 -16.803 1.00 0.00 C ATOM 1226 C GLY A 76 96.952 -6.573 -17.193 1.00 0.00 C ATOM 1227 O GLY A 76 97.799 -7.164 -17.840 1.00 0.00 O ATOM 1228 OXT GLY A 76 95.895 -7.069 -16.837 1.00 0.00 O ATOM 0 H GLY A 76 96.970 -4.906 -14.730 1.00 0.00 H new ATOM 0 HA2 GLY A 76 96.322 -4.532 -16.916 1.00 0.00 H new ATOM 0 HA3 GLY A 76 97.974 -4.699 -17.476 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 112.813 -17.171 -7.752 1.00 0.00 N ATOM 1234 CA GLN B 198 113.550 -16.750 -6.529 1.00 0.00 C ATOM 1235 C GLN B 198 113.527 -15.219 -6.437 1.00 0.00 C ATOM 1236 O GLN B 198 114.542 -14.575 -6.144 1.00 0.00 O ATOM 1237 CB GLN B 198 114.994 -17.255 -6.605 1.00 0.00 C ATOM 1238 CG GLN B 198 115.019 -18.787 -6.530 1.00 0.00 C ATOM 1239 CD GLN B 198 116.450 -19.311 -6.698 1.00 0.00 C ATOM 1240 OE1 GLN B 198 117.413 -18.539 -6.775 1.00 0.00 O ATOM 1241 NE2 GLN B 198 116.652 -20.598 -6.767 1.00 0.00 N ATOM 0 HA GLN B 198 113.077 -17.172 -5.642 1.00 0.00 H new ATOM 0 HB2 GLN B 198 115.456 -16.921 -7.534 1.00 0.00 H new ATOM 0 HB3 GLN B 198 115.579 -16.833 -5.788 1.00 0.00 H new ATOM 0 HG2 GLN B 198 114.615 -19.116 -5.573 1.00 0.00 H new ATOM 0 HG3 GLN B 198 114.379 -19.205 -7.307 1.00 0.00 H new ATOM 0 HE21 GLN B 198 115.864 -21.242 -6.704 1.00 0.00 H new ATOM 0 HE22 GLN B 198 117.598 -20.960 -6.884 1.00 0.00 H new ATOM 1250 N VAL B 199 112.349 -14.645 -6.685 1.00 0.00 N ATOM 1251 CA VAL B 199 112.173 -13.198 -6.628 1.00 0.00 C ATOM 1252 C VAL B 199 112.016 -12.745 -5.178 1.00 0.00 C ATOM 1253 O VAL B 199 111.996 -13.570 -4.261 1.00 0.00 O ATOM 1254 CB VAL B 199 110.940 -12.775 -7.448 1.00 0.00 C ATOM 1255 CG1 VAL B 199 111.166 -13.064 -8.936 1.00 0.00 C ATOM 1256 CG2 VAL B 199 109.696 -13.535 -6.973 1.00 0.00 C ATOM 0 H VAL B 199 111.504 -15.162 -6.927 1.00 0.00 H new ATOM 0 HA VAL B 199 113.057 -12.723 -7.055 1.00 0.00 H new ATOM 0 HB VAL B 199 110.787 -11.705 -7.304 1.00 0.00 H new ATOM 0 HG11 VAL B 199 110.286 -12.760 -9.503 1.00 0.00 H new ATOM 0 HG12 VAL B 199 112.035 -12.507 -9.287 1.00 0.00 H new ATOM 0 HG13 VAL B 199 111.338 -14.131 -9.077 1.00 0.00 H new ATOM 0 HG21 VAL B 199 108.833 -13.225 -7.562 1.00 0.00 H new ATOM 0 HG22 VAL B 199 109.854 -14.606 -7.098 1.00 0.00 H new ATOM 0 HG23 VAL B 199 109.515 -13.315 -5.921 1.00 0.00 H new ATOM 1266 N THR B 200 111.913 -11.429 -4.987 1.00 0.00 N ATOM 1267 CA THR B 200 111.764 -10.858 -3.653 1.00 0.00 C ATOM 1268 C THR B 200 110.488 -11.376 -2.997 1.00 0.00 C ATOM 1269 O THR B 200 109.600 -11.902 -3.672 1.00 0.00 O ATOM 1270 CB THR B 200 111.715 -9.328 -3.743 1.00 0.00 C ATOM 1271 OG1 THR B 200 112.756 -8.877 -4.596 1.00 0.00 O ATOM 1272 CG2 THR B 200 111.898 -8.714 -2.351 1.00 0.00 C ATOM 0 H THR B 200 111.930 -10.741 -5.740 1.00 0.00 H new ATOM 0 HA THR B 200 112.619 -11.156 -3.047 1.00 0.00 H new ATOM 0 HB THR B 200 110.748 -9.023 -4.143 1.00 0.00 H new ATOM 0 HG1 THR B 200 112.728 -7.899 -4.658 1.00 0.00 H new ATOM 0 HG21 THR B 200 111.862 -7.627 -2.425 1.00 0.00 H new ATOM 0 HG22 THR B 200 111.101 -9.060 -1.693 1.00 0.00 H new ATOM 0 HG23 THR B 200 112.862 -9.018 -1.943 1.00 0.00 H new ATOM 1280 N LYS B 201 110.410 -11.213 -1.678 1.00 0.00 N ATOM 1281 CA LYS B 201 109.246 -11.652 -0.916 1.00 0.00 C ATOM 1282 C LYS B 201 108.884 -10.628 0.146 1.00 0.00 C ATOM 1283 O LYS B 201 109.735 -9.850 0.583 1.00 0.00 O ATOM 1284 CB LYS B 201 109.518 -13.011 -0.271 1.00 0.00 C ATOM 1285 CG LYS B 201 109.528 -14.093 -1.355 1.00 0.00 C ATOM 1286 CD LYS B 201 109.856 -15.446 -0.725 1.00 0.00 C ATOM 1287 CE LYS B 201 109.886 -16.521 -1.812 1.00 0.00 C ATOM 1288 NZ LYS B 201 110.222 -17.834 -1.197 1.00 0.00 N ATOM 0 H LYS B 201 111.141 -10.779 -1.115 1.00 0.00 H new ATOM 0 HA LYS B 201 108.403 -11.750 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.475 -12.994 0.251 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.753 -13.233 0.473 1.00 0.00 H new ATOM 0 HG2 LYS B 201 108.557 -14.136 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.265 -13.849 -2.120 1.00 0.00 H new ATOM 0 HD2 LYS B 201 110.820 -15.399 -0.218 1.00 0.00 H new ATOM 0 HD3 LYS B 201 109.111 -15.698 0.030 1.00 0.00 H new ATOM 0 HE2 LYS B 201 108.918 -16.577 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS B 201 110.623 -16.264 -2.573 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 110.243 -18.567 -1.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 111.155 -17.775 -0.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 109.503 -18.078 -0.486 1.00 0.00 H new ATOM 1302 N VAL B 202 107.617 -10.644 0.551 1.00 0.00 N ATOM 1303 CA VAL B 202 107.116 -9.719 1.570 1.00 0.00 C ATOM 1304 C VAL B 202 105.917 -10.326 2.290 1.00 0.00 C ATOM 1305 O VAL B 202 105.173 -11.121 1.710 1.00 0.00 O ATOM 1306 CB VAL B 202 106.726 -8.370 0.940 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.980 -7.674 0.398 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.729 -8.584 -0.206 1.00 0.00 C ATOM 0 H VAL B 202 106.914 -11.289 0.189 1.00 0.00 H new ATOM 0 HA VAL B 202 107.913 -9.544 2.293 1.00 0.00 H new ATOM 0 HB VAL B 202 106.260 -7.748 1.705 1.00 0.00 H new ATOM 0 HG11 VAL B 202 107.702 -6.719 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL B 202 108.682 -7.503 1.214 1.00 0.00 H new ATOM 0 HG13 VAL B 202 108.448 -8.305 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL B 202 105.463 -7.621 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL B 202 106.183 -9.215 -0.970 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.832 -9.069 0.178 1.00 0.00 H new ATOM 1318 N ASP B 203 105.753 -9.952 3.557 1.00 0.00 N ATOM 1319 CA ASP B 203 104.657 -10.467 4.373 1.00 0.00 C ATOM 1320 C ASP B 203 103.335 -9.805 3.987 1.00 0.00 C ATOM 1321 O ASP B 203 103.330 -8.681 3.477 1.00 0.00 O ATOM 1322 CB ASP B 203 104.949 -10.196 5.849 1.00 0.00 C ATOM 1323 CG ASP B 203 106.192 -10.964 6.288 1.00 0.00 C ATOM 1324 OD1 ASP B 203 107.031 -10.366 6.942 1.00 0.00 O ATOM 1325 OD2 ASP B 203 106.285 -12.137 5.968 1.00 0.00 O ATOM 0 H ASP B 203 106.365 -9.295 4.040 1.00 0.00 H new ATOM 0 HA ASP B 203 104.572 -11.540 4.201 1.00 0.00 H new ATOM 0 HB2 ASP B 203 105.097 -9.128 6.008 1.00 0.00 H new ATOM 0 HB3 ASP B 203 104.095 -10.493 6.457 1.00 0.00 H new ATOM 1330 N CYS B 204 102.218 -10.496 4.247 1.00 0.00 N ATOM 1331 CA CYS B 204 100.899 -9.940 3.928 1.00 0.00 C ATOM 1332 C CYS B 204 100.327 -9.188 5.153 1.00 0.00 C ATOM 1333 O CYS B 204 100.210 -9.783 6.224 1.00 0.00 O ATOM 1334 CB CYS B 204 99.917 -11.042 3.505 1.00 0.00 C ATOM 1335 SG CYS B 204 98.330 -10.307 3.004 1.00 0.00 S ATOM 0 H CYS B 204 102.200 -11.424 4.670 1.00 0.00 H new ATOM 0 HA CYS B 204 101.024 -9.247 3.096 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.337 -11.617 2.680 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.760 -11.737 4.330 1.00 0.00 H new ATOM 1340 N PRO B 205 99.968 -7.910 5.042 1.00 0.00 N ATOM 1341 CA PRO B 205 99.402 -7.139 6.204 1.00 0.00 C ATOM 1342 C PRO B 205 97.975 -7.578 6.573 1.00 0.00 C ATOM 1343 O PRO B 205 97.444 -7.189 7.617 1.00 0.00 O ATOM 1344 CB PRO B 205 99.411 -5.686 5.717 1.00 0.00 C ATOM 1345 CG PRO B 205 99.375 -5.753 4.225 1.00 0.00 C ATOM 1346 CD PRO B 205 100.037 -7.067 3.824 1.00 0.00 C ATOM 0 HA PRO B 205 99.985 -7.300 7.111 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.551 -5.139 6.104 1.00 0.00 H new ATOM 0 HB3 PRO B 205 100.303 -5.164 6.063 1.00 0.00 H new ATOM 0 HG2 PRO B 205 98.348 -5.711 3.861 1.00 0.00 H new ATOM 0 HG3 PRO B 205 99.903 -4.906 3.788 1.00 0.00 H new ATOM 0 HD2 PRO B 205 99.516 -7.534 2.989 1.00 0.00 H new ATOM 0 HD3 PRO B 205 101.069 -6.911 3.508 1.00 0.00 H new ATOM 1354 N VAL B 206 97.364 -8.371 5.692 1.00 0.00 N ATOM 1355 CA VAL B 206 95.993 -8.857 5.866 1.00 0.00 C ATOM 1356 C VAL B 206 95.959 -10.185 6.606 1.00 0.00 C ATOM 1357 O VAL B 206 95.171 -10.379 7.537 1.00 0.00 O ATOM 1358 CB VAL B 206 95.366 -9.126 4.481 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.885 -9.531 4.620 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.494 -7.904 3.567 1.00 0.00 C ATOM 0 H VAL B 206 97.808 -8.696 4.833 1.00 0.00 H new ATOM 0 HA VAL B 206 95.453 -8.096 6.429 1.00 0.00 H new ATOM 0 HB VAL B 206 95.914 -9.952 4.027 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.464 -9.716 3.632 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.810 -10.437 5.221 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.332 -8.727 5.106 1.00 0.00 H new ATOM 0 HG21 VAL B 206 95.043 -8.125 2.599 1.00 0.00 H new ATOM 0 HG22 VAL B 206 94.982 -7.055 4.021 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.548 -7.661 3.430 1.00 0.00 H new ATOM 1370 N CYS B 207 96.763 -11.114 6.109 1.00 0.00 N ATOM 1371 CA CYS B 207 96.784 -12.464 6.630 1.00 0.00 C ATOM 1372 C CYS B 207 98.165 -12.873 7.138 1.00 0.00 C ATOM 1373 O CYS B 207 98.286 -13.838 7.897 1.00 0.00 O ATOM 1374 CB CYS B 207 96.298 -13.390 5.501 1.00 0.00 C ATOM 1375 SG CYS B 207 97.612 -13.709 4.284 1.00 0.00 S ATOM 0 H CYS B 207 97.412 -10.951 5.340 1.00 0.00 H new ATOM 0 HA CYS B 207 96.129 -12.536 7.498 1.00 0.00 H new ATOM 0 HB2 CYS B 207 95.957 -14.334 5.926 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.441 -12.937 5.002 1.00 0.00 H new ATOM 1380 N GLY B 208 99.197 -12.142 6.716 1.00 0.00 N ATOM 1381 CA GLY B 208 100.559 -12.445 7.136 1.00 0.00 C ATOM 1382 C GLY B 208 101.001 -13.796 6.597 1.00 0.00 C ATOM 1383 O GLY B 208 101.092 -14.773 7.344 1.00 0.00 O ATOM 0 H GLY B 208 99.114 -11.342 6.088 1.00 0.00 H new ATOM 0 HA2 GLY B 208 101.236 -11.668 6.781 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.617 -12.446 8.224 1.00 0.00 H new ATOM 1387 N VAL B 209 101.269 -13.836 5.292 1.00 0.00 N ATOM 1388 CA VAL B 209 101.713 -15.055 4.634 1.00 0.00 C ATOM 1389 C VAL B 209 102.884 -14.730 3.708 1.00 0.00 C ATOM 1390 O VAL B 209 102.877 -13.700 3.025 1.00 0.00 O ATOM 1391 CB VAL B 209 100.544 -15.693 3.852 1.00 0.00 C ATOM 1392 CG1 VAL B 209 101.034 -16.871 2.992 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.500 -16.207 4.846 1.00 0.00 C ATOM 0 H VAL B 209 101.184 -13.031 4.671 1.00 0.00 H new ATOM 0 HA VAL B 209 102.047 -15.776 5.380 1.00 0.00 H new ATOM 0 HB VAL B 209 100.112 -14.937 3.196 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.191 -17.302 2.452 1.00 0.00 H new ATOM 0 HG12 VAL B 209 101.779 -16.516 2.279 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.480 -17.630 3.635 1.00 0.00 H new ATOM 0 HG21 VAL B 209 98.671 -16.659 4.302 1.00 0.00 H new ATOM 0 HG22 VAL B 209 99.955 -16.952 5.499 1.00 0.00 H new ATOM 0 HG23 VAL B 209 99.130 -15.376 5.447 1.00 0.00 H new ATOM 1403 N ASN B 210 103.867 -15.626 3.683 1.00 0.00 N ATOM 1404 CA ASN B 210 105.030 -15.443 2.829 1.00 0.00 C ATOM 1405 C ASN B 210 104.594 -15.570 1.382 1.00 0.00 C ATOM 1406 O ASN B 210 104.091 -16.619 0.970 1.00 0.00 O ATOM 1407 CB ASN B 210 106.087 -16.501 3.147 1.00 0.00 C ATOM 1408 CG ASN B 210 107.424 -16.086 2.555 1.00 0.00 C ATOM 1409 OD1 ASN B 210 107.982 -16.797 1.719 1.00 0.00 O ATOM 1410 ND2 ASN B 210 107.972 -14.971 2.940 1.00 0.00 N ATOM 0 H ASN B 210 103.879 -16.480 4.241 1.00 0.00 H new ATOM 0 HA ASN B 210 105.463 -14.458 3.003 1.00 0.00 H new ATOM 0 HB2 ASN B 210 106.179 -16.624 4.226 1.00 0.00 H new ATOM 0 HB3 ASN B 210 105.783 -17.466 2.741 1.00 0.00 H new ATOM 0 HD21 ASN B 210 108.869 -14.682 2.549 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.505 -14.386 3.633 1.00 0.00 H new ATOM 1417 N ILE B 211 104.770 -14.489 0.622 1.00 0.00 N ATOM 1418 CA ILE B 211 104.371 -14.486 -0.785 1.00 0.00 C ATOM 1419 C ILE B 211 105.305 -13.587 -1.619 1.00 0.00 C ATOM 1420 O ILE B 211 105.667 -12.499 -1.158 1.00 0.00 O ATOM 1421 CB ILE B 211 102.912 -13.993 -0.940 1.00 0.00 C ATOM 1422 CG1 ILE B 211 101.957 -14.874 -0.107 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.487 -14.064 -2.419 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.556 -14.249 -0.047 1.00 0.00 C ATOM 0 H ILE B 211 105.181 -13.615 0.951 1.00 0.00 H new ATOM 0 HA ILE B 211 104.444 -15.510 -1.150 1.00 0.00 H new ATOM 0 HB ILE B 211 102.859 -12.963 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE B 211 101.898 -15.870 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.351 -14.993 0.902 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.459 -13.715 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.144 -13.433 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.556 -15.094 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE B 211 99.899 -14.886 0.545 1.00 0.00 H new ATOM 0 HD12 ILE B 211 100.617 -13.263 0.413 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.156 -14.154 -1.057 1.00 0.00 H new ATOM 1436 N PRO B 212 105.663 -13.984 -2.846 1.00 0.00 N ATOM 1437 CA PRO B 212 106.522 -13.142 -3.731 1.00 0.00 C ATOM 1438 C PRO B 212 105.886 -11.773 -3.955 1.00 0.00 C ATOM 1439 O PRO B 212 104.675 -11.629 -3.838 1.00 0.00 O ATOM 1440 CB PRO B 212 106.613 -13.933 -5.039 1.00 0.00 C ATOM 1441 CG PRO B 212 106.282 -15.341 -4.680 1.00 0.00 C ATOM 1442 CD PRO B 212 105.319 -15.266 -3.511 1.00 0.00 C ATOM 0 HA PRO B 212 107.505 -12.949 -3.301 1.00 0.00 H new ATOM 0 HB2 PRO B 212 105.917 -13.544 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO B 212 107.611 -13.863 -5.471 1.00 0.00 H new ATOM 0 HG2 PRO B 212 105.829 -15.862 -5.524 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.181 -15.895 -4.409 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.282 -15.276 -3.847 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.444 -16.112 -2.836 1.00 0.00 H new ATOM 1450 N GLU B 213 106.716 -10.779 -4.266 1.00 0.00 N ATOM 1451 CA GLU B 213 106.230 -9.415 -4.488 1.00 0.00 C ATOM 1452 C GLU B 213 105.233 -9.373 -5.648 1.00 0.00 C ATOM 1453 O GLU B 213 104.267 -8.611 -5.611 1.00 0.00 O ATOM 1454 CB GLU B 213 107.410 -8.480 -4.772 1.00 0.00 C ATOM 1455 CG GLU B 213 106.921 -7.021 -4.798 1.00 0.00 C ATOM 1456 CD GLU B 213 108.080 -6.041 -5.030 1.00 0.00 C ATOM 1457 OE1 GLU B 213 109.168 -6.480 -5.379 1.00 0.00 O ATOM 1458 OE2 GLU B 213 107.856 -4.854 -4.858 1.00 0.00 O ATOM 0 H GLU B 213 107.725 -10.890 -4.370 1.00 0.00 H new ATOM 0 HA GLU B 213 105.717 -9.081 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.176 -8.603 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU B 213 107.869 -8.737 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU B 213 106.178 -6.900 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU B 213 106.427 -6.785 -3.855 1.00 0.00 H new ATOM 1465 N SER B 214 105.489 -10.173 -6.679 1.00 0.00 N ATOM 1466 CA SER B 214 104.619 -10.219 -7.854 1.00 0.00 C ATOM 1467 C SER B 214 103.271 -10.859 -7.522 1.00 0.00 C ATOM 1468 O SER B 214 102.226 -10.406 -7.994 1.00 0.00 O ATOM 1469 CB SER B 214 105.298 -11.015 -8.966 1.00 0.00 C ATOM 1470 OG SER B 214 106.439 -10.301 -9.426 1.00 0.00 O ATOM 0 H SER B 214 106.292 -10.800 -6.726 1.00 0.00 H new ATOM 0 HA SER B 214 104.441 -9.195 -8.183 1.00 0.00 H new ATOM 0 HB2 SER B 214 105.594 -11.997 -8.597 1.00 0.00 H new ATOM 0 HB3 SER B 214 104.602 -11.180 -9.788 1.00 0.00 H new ATOM 0 HG SER B 214 106.349 -9.354 -9.191 1.00 0.00 H new ATOM 1476 N HIS B 215 103.312 -11.917 -6.708 1.00 0.00 N ATOM 1477 CA HIS B 215 102.096 -12.638 -6.311 1.00 0.00 C ATOM 1478 C HIS B 215 101.254 -11.845 -5.303 1.00 0.00 C ATOM 1479 O HIS B 215 100.103 -12.210 -5.043 1.00 0.00 O ATOM 1480 CB HIS B 215 102.480 -13.981 -5.688 1.00 0.00 C ATOM 1481 CG HIS B 215 102.931 -14.933 -6.757 1.00 0.00 C ATOM 1482 ND1 HIS B 215 104.189 -14.861 -7.334 1.00 0.00 N ATOM 1483 CD2 HIS B 215 102.298 -15.984 -7.370 1.00 0.00 C ATOM 1484 CE1 HIS B 215 104.272 -15.839 -8.252 1.00 0.00 C ATOM 1485 NE2 HIS B 215 103.145 -16.553 -8.314 1.00 0.00 N ATOM 0 H HIS B 215 104.172 -12.294 -6.310 1.00 0.00 H new ATOM 0 HA HIS B 215 101.496 -12.785 -7.209 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.276 -13.838 -4.958 1.00 0.00 H new ATOM 0 HB3 HIS B 215 101.628 -14.400 -5.153 1.00 0.00 H new ATOM 0 HD2 HIS B 215 101.294 -16.319 -7.152 1.00 0.00 H new ATOM 0 HE1 HIS B 215 105.142 -16.025 -8.864 1.00 0.00 H new ATOM 0 HE2 HIS B 215 102.948 -17.346 -8.924 1.00 0.00 H new ATOM 1493 N ILE B 216 101.823 -10.775 -4.739 1.00 0.00 N ATOM 1494 CA ILE B 216 101.119 -9.960 -3.768 1.00 0.00 C ATOM 1495 C ILE B 216 99.907 -9.291 -4.409 1.00 0.00 C ATOM 1496 O ILE B 216 98.865 -9.182 -3.772 1.00 0.00 O ATOM 1497 CB ILE B 216 102.084 -8.905 -3.168 1.00 0.00 C ATOM 1498 CG1 ILE B 216 102.964 -9.575 -2.088 1.00 0.00 C ATOM 1499 CG2 ILE B 216 101.309 -7.724 -2.549 1.00 0.00 C ATOM 1500 CD1 ILE B 216 102.146 -9.888 -0.817 1.00 0.00 C ATOM 0 H ILE B 216 102.771 -10.460 -4.945 1.00 0.00 H new ATOM 0 HA ILE B 216 100.759 -10.599 -2.961 1.00 0.00 H new ATOM 0 HB ILE B 216 102.709 -8.513 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE B 216 103.392 -10.496 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE B 216 103.797 -8.919 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE B 216 102.014 -7.002 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE B 216 100.704 -7.243 -3.318 1.00 0.00 H new ATOM 0 HG23 ILE B 216 100.660 -8.091 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE B 216 102.792 -10.359 -0.076 1.00 0.00 H new ATOM 0 HD12 ILE B 216 101.739 -8.963 -0.409 1.00 0.00 H new ATOM 0 HD13 ILE B 216 101.329 -10.564 -1.068 1.00 0.00 H new ATOM 1512 N ASN B 217 100.074 -8.784 -5.627 1.00 0.00 N ATOM 1513 CA ASN B 217 98.991 -8.082 -6.313 1.00 0.00 C ATOM 1514 C ASN B 217 97.742 -8.961 -6.366 1.00 0.00 C ATOM 1515 O ASN B 217 96.696 -8.600 -5.821 1.00 0.00 O ATOM 1516 CB ASN B 217 99.431 -7.712 -7.732 1.00 0.00 C ATOM 1517 CG ASN B 217 100.554 -6.677 -7.686 1.00 0.00 C ATOM 1518 OD1 ASN B 217 100.546 -5.784 -6.838 1.00 0.00 O ATOM 1519 ND2 ASN B 217 101.527 -6.746 -8.556 1.00 0.00 N ATOM 0 H ASN B 217 100.943 -8.845 -6.158 1.00 0.00 H new ATOM 0 HA ASN B 217 98.755 -7.171 -5.762 1.00 0.00 H new ATOM 0 HB2 ASN B 217 99.770 -8.604 -8.259 1.00 0.00 H new ATOM 0 HB3 ASN B 217 98.584 -7.315 -8.291 1.00 0.00 H new ATOM 0 HD21 ASN B 217 102.281 -6.060 -8.533 1.00 0.00 H new ATOM 0 HD22 ASN B 217 101.532 -7.486 -9.258 1.00 0.00 H new ATOM 1526 N LYS B 218 97.873 -10.119 -7.015 1.00 0.00 N ATOM 1527 CA LYS B 218 96.757 -11.058 -7.127 1.00 0.00 C ATOM 1528 C LYS B 218 96.351 -11.546 -5.744 1.00 0.00 C ATOM 1529 O LYS B 218 95.161 -11.648 -5.439 1.00 0.00 O ATOM 1530 CB LYS B 218 97.146 -12.253 -7.994 1.00 0.00 C ATOM 1531 CG LYS B 218 97.340 -11.796 -9.440 1.00 0.00 C ATOM 1532 CD LYS B 218 97.761 -12.988 -10.303 1.00 0.00 C ATOM 1533 CE LYS B 218 97.906 -12.538 -11.757 1.00 0.00 C ATOM 1534 NZ LYS B 218 99.039 -11.576 -11.864 1.00 0.00 N ATOM 0 H LYS B 218 98.734 -10.427 -7.468 1.00 0.00 H new ATOM 0 HA LYS B 218 95.918 -10.542 -7.594 1.00 0.00 H new ATOM 0 HB2 LYS B 218 98.064 -12.704 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS B 218 96.372 -13.018 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS B 218 96.415 -11.365 -9.823 1.00 0.00 H new ATOM 0 HG3 LYS B 218 98.098 -11.015 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS B 218 98.705 -13.397 -9.942 1.00 0.00 H new ATOM 0 HD3 LYS B 218 97.020 -13.784 -10.230 1.00 0.00 H new ATOM 0 HE2 LYS B 218 98.084 -13.400 -12.400 1.00 0.00 H new ATOM 0 HE3 LYS B 218 96.983 -12.070 -12.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 99.339 -11.502 -12.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 98.734 -10.642 -11.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 99.836 -11.912 -11.286 1.00 0.00 H new ATOM 1548 N HIS B 219 97.350 -11.849 -4.911 1.00 0.00 N ATOM 1549 CA HIS B 219 97.082 -12.328 -3.560 1.00 0.00 C ATOM 1550 C HIS B 219 96.224 -11.325 -2.785 1.00 0.00 C ATOM 1551 O HIS B 219 95.323 -11.732 -2.064 1.00 0.00 O ATOM 1552 CB HIS B 219 98.395 -12.604 -2.799 1.00 0.00 C ATOM 1553 CG HIS B 219 98.073 -12.965 -1.368 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.488 -14.169 -1.012 1.00 0.00 N ATOM 1555 CD2 HIS B 219 98.167 -12.235 -0.212 1.00 0.00 C ATOM 1556 CE1 HIS B 219 97.247 -14.120 0.312 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.645 -12.962 0.851 1.00 0.00 N ATOM 0 H HIS B 219 98.339 -11.771 -5.148 1.00 0.00 H new ATOM 0 HA HIS B 219 96.530 -13.264 -3.645 1.00 0.00 H new ATOM 0 HB2 HIS B 219 98.943 -13.416 -3.277 1.00 0.00 H new ATOM 0 HB3 HIS B 219 99.038 -11.725 -2.829 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.279 -14.948 -1.637 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.585 -11.242 -0.138 1.00 0.00 H new ATOM 0 HE1 HIS B 219 96.787 -14.921 0.872 1.00 0.00 H new ATOM 1564 N LEU B 220 96.523 -10.039 -2.920 1.00 0.00 N ATOM 1565 CA LEU B 220 95.769 -9.008 -2.210 1.00 0.00 C ATOM 1566 C LEU B 220 94.323 -8.984 -2.689 1.00 0.00 C ATOM 1567 O LEU B 220 93.404 -8.769 -1.899 1.00 0.00 O ATOM 1568 CB LEU B 220 96.411 -7.633 -2.402 1.00 0.00 C ATOM 1569 CG LEU B 220 97.625 -7.487 -1.474 1.00 0.00 C ATOM 1570 CD1 LEU B 220 98.456 -6.287 -1.918 1.00 0.00 C ATOM 1571 CD2 LEU B 220 97.155 -7.269 -0.028 1.00 0.00 C ATOM 0 H LEU B 220 97.276 -9.685 -3.510 1.00 0.00 H new ATOM 0 HA LEU B 220 95.784 -9.248 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.719 -7.508 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.684 -6.850 -2.189 1.00 0.00 H new ATOM 0 HG LEU B 220 98.226 -8.395 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU B 220 99.319 -6.179 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.796 -6.439 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.847 -5.384 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU B 220 98.022 -7.166 0.625 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.551 -6.363 0.026 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.558 -8.123 0.293 1.00 0.00 H new ATOM 1583 N ASP B 221 94.134 -9.223 -3.983 1.00 0.00 N ATOM 1584 CA ASP B 221 92.800 -9.240 -4.573 1.00 0.00 C ATOM 1585 C ASP B 221 91.954 -10.364 -3.975 1.00 0.00 C ATOM 1586 O ASP B 221 90.741 -10.208 -3.815 1.00 0.00 O ATOM 1587 CB ASP B 221 92.919 -9.429 -6.091 1.00 0.00 C ATOM 1588 CG ASP B 221 93.150 -8.079 -6.787 1.00 0.00 C ATOM 1589 OD1 ASP B 221 93.111 -7.045 -6.128 1.00 0.00 O ATOM 1590 OD2 ASP B 221 93.373 -8.099 -7.982 1.00 0.00 O ATOM 0 H ASP B 221 94.889 -9.408 -4.644 1.00 0.00 H new ATOM 0 HA ASP B 221 92.309 -8.291 -4.356 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.744 -10.106 -6.315 1.00 0.00 H new ATOM 0 HB3 ASP B 221 92.012 -9.893 -6.477 1.00 0.00 H new ATOM 1595 N SER B 222 92.603 -11.483 -3.648 1.00 0.00 N ATOM 1596 CA SER B 222 91.911 -12.635 -3.068 1.00 0.00 C ATOM 1597 C SER B 222 91.855 -12.536 -1.537 1.00 0.00 C ATOM 1598 O SER B 222 90.872 -12.940 -0.914 1.00 0.00 O ATOM 1599 CB SER B 222 92.634 -13.925 -3.465 1.00 0.00 C ATOM 1600 OG SER B 222 93.778 -14.106 -2.639 1.00 0.00 O ATOM 0 H SER B 222 93.606 -11.616 -3.775 1.00 0.00 H new ATOM 0 HA SER B 222 90.891 -12.645 -3.452 1.00 0.00 H new ATOM 0 HB2 SER B 222 91.961 -14.777 -3.363 1.00 0.00 H new ATOM 0 HB3 SER B 222 92.933 -13.878 -4.512 1.00 0.00 H new ATOM 0 HG SER B 222 94.306 -13.280 -2.626 1.00 0.00 H new ATOM 1606 N CYS B 223 92.931 -12.011 -0.952 1.00 0.00 N ATOM 1607 CA CYS B 223 93.045 -11.862 0.498 1.00 0.00 C ATOM 1608 C CYS B 223 92.066 -10.815 1.015 1.00 0.00 C ATOM 1609 O CYS B 223 91.391 -11.025 2.026 1.00 0.00 O ATOM 1610 CB CYS B 223 94.482 -11.451 0.852 1.00 0.00 C ATOM 1611 SG CYS B 223 94.819 -11.808 2.598 1.00 0.00 S ATOM 0 H CYS B 223 93.746 -11.678 -1.468 1.00 0.00 H new ATOM 0 HA CYS B 223 92.805 -12.815 0.970 1.00 0.00 H new ATOM 0 HB2 CYS B 223 95.189 -11.989 0.220 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.623 -10.388 0.656 1.00 0.00 H new ATOM 1616 N LEU B 224 92.006 -9.688 0.313 1.00 0.00 N ATOM 1617 CA LEU B 224 91.117 -8.593 0.693 1.00 0.00 C ATOM 1618 C LEU B 224 89.657 -9.024 0.602 1.00 0.00 C ATOM 1619 O LEU B 224 88.863 -8.729 1.498 1.00 0.00 O ATOM 1620 CB LEU B 224 91.373 -7.384 -0.215 1.00 0.00 C ATOM 1621 CG LEU B 224 92.744 -6.774 0.112 1.00 0.00 C ATOM 1622 CD1 LEU B 224 93.154 -5.808 -1.000 1.00 0.00 C ATOM 1623 CD2 LEU B 224 92.670 -6.007 1.441 1.00 0.00 C ATOM 0 H LEU B 224 92.562 -9.508 -0.523 1.00 0.00 H new ATOM 0 HA LEU B 224 91.323 -8.316 1.727 1.00 0.00 H new ATOM 0 HB2 LEU B 224 91.340 -7.689 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU B 224 90.590 -6.639 -0.075 1.00 0.00 H new ATOM 0 HG LEU B 224 93.478 -7.575 0.194 1.00 0.00 H new ATOM 0 HD11 LEU B 224 94.127 -5.376 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU B 224 93.214 -6.346 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU B 224 92.414 -5.012 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU B 224 93.645 -5.577 1.668 1.00 0.00 H new ATOM 0 HD22 LEU B 224 91.931 -5.209 1.360 1.00 0.00 H new ATOM 0 HD23 LEU B 224 92.380 -6.690 2.240 1.00 0.00 H new ATOM 1635 N SER B 225 89.316 -9.729 -0.479 1.00 0.00 N ATOM 1636 CA SER B 225 87.950 -10.210 -0.679 1.00 0.00 C ATOM 1637 C SER B 225 87.609 -11.314 0.322 1.00 0.00 C ATOM 1638 O SER B 225 86.494 -11.358 0.849 1.00 0.00 O ATOM 1639 CB SER B 225 87.781 -10.746 -2.103 1.00 0.00 C ATOM 1640 OG SER B 225 88.156 -9.737 -3.035 1.00 0.00 O ATOM 0 H SER B 225 89.965 -9.978 -1.226 1.00 0.00 H new ATOM 0 HA SER B 225 87.272 -9.371 -0.523 1.00 0.00 H new ATOM 0 HB2 SER B 225 88.397 -11.634 -2.245 1.00 0.00 H new ATOM 0 HB3 SER B 225 86.746 -11.045 -2.271 1.00 0.00 H new ATOM 0 HG SER B 225 89.074 -9.896 -3.338 1.00 0.00 H new ATOM 1646 N ARG B 226 88.573 -12.211 0.557 1.00 0.00 N ATOM 1647 CA ARG B 226 88.368 -13.324 1.476 1.00 0.00 C ATOM 1648 C ARG B 226 88.151 -12.796 2.873 1.00 0.00 C ATOM 1649 O ARG B 226 87.126 -13.080 3.477 1.00 0.00 O ATOM 1650 CB ARG B 226 89.586 -14.256 1.460 1.00 0.00 C ATOM 1651 CG ARG B 226 89.300 -15.511 2.296 1.00 0.00 C ATOM 1652 CD ARG B 226 90.547 -16.392 2.345 1.00 0.00 C ATOM 1653 NE ARG B 226 90.833 -16.932 1.013 1.00 0.00 N ATOM 1654 CZ ARG B 226 91.910 -17.694 0.750 1.00 0.00 C ATOM 1655 NH1 ARG B 226 92.784 -17.998 1.683 1.00 0.00 N ATOM 1656 NH2 ARG B 226 92.094 -18.140 -0.462 1.00 0.00 N ATOM 0 H ARG B 226 89.496 -12.184 0.124 1.00 0.00 H new ATOM 0 HA ARG B 226 87.489 -13.886 1.159 1.00 0.00 H new ATOM 0 HB2 ARG B 226 89.824 -14.539 0.435 1.00 0.00 H new ATOM 0 HB3 ARG B 226 90.457 -13.735 1.857 1.00 0.00 H new ATOM 0 HG2 ARG B 226 89.003 -15.227 3.306 1.00 0.00 H new ATOM 0 HG3 ARG B 226 88.468 -16.066 1.863 1.00 0.00 H new ATOM 0 HD2 ARG B 226 91.398 -15.812 2.701 1.00 0.00 H new ATOM 0 HD3 ARG B 226 90.398 -17.208 3.053 1.00 0.00 H new ATOM 0 HE ARG B 226 90.187 -16.721 0.252 1.00 0.00 H new ATOM 0 HH11 ARG B 226 92.655 -17.654 2.635 1.00 0.00 H new ATOM 0 HH12 ARG B 226 93.592 -18.578 1.456 1.00 0.00 H new ATOM 0 HH21 ARG B 226 91.425 -17.910 -1.197 1.00 0.00 H new ATOM 0 HH22 ARG B 226 92.907 -18.719 -0.675 1.00 0.00 H new ATOM 1670 N GLU B 227 89.143 -12.060 3.386 1.00 0.00 N ATOM 1671 CA GLU B 227 89.092 -11.507 4.742 1.00 0.00 C ATOM 1672 C GLU B 227 87.667 -11.081 5.110 1.00 0.00 C ATOM 1673 O GLU B 227 87.124 -11.535 6.118 1.00 0.00 O ATOM 1674 CB GLU B 227 90.022 -10.296 4.831 1.00 0.00 C ATOM 1675 CG GLU B 227 90.082 -9.802 6.285 1.00 0.00 C ATOM 1676 CD GLU B 227 90.968 -8.558 6.418 1.00 0.00 C ATOM 1677 OE1 GLU B 227 91.275 -7.940 5.407 1.00 0.00 O ATOM 1678 OE2 GLU B 227 91.322 -8.237 7.539 1.00 0.00 O ATOM 0 H GLU B 227 89.997 -11.833 2.877 1.00 0.00 H new ATOM 0 HA GLU B 227 89.412 -12.279 5.441 1.00 0.00 H new ATOM 0 HB2 GLU B 227 91.020 -10.564 4.485 1.00 0.00 H new ATOM 0 HB3 GLU B 227 89.663 -9.499 4.180 1.00 0.00 H new ATOM 0 HG2 GLU B 227 89.075 -9.572 6.635 1.00 0.00 H new ATOM 0 HG3 GLU B 227 90.468 -10.596 6.925 1.00 0.00 H new ATOM 1685 N GLU B 228 87.077 -10.233 4.269 1.00 0.00 N ATOM 1686 CA GLU B 228 85.719 -9.760 4.505 1.00 0.00 C ATOM 1687 C GLU B 228 84.721 -10.920 4.460 1.00 0.00 C ATOM 1688 O GLU B 228 83.877 -11.049 5.349 1.00 0.00 O ATOM 1689 CB GLU B 228 85.343 -8.716 3.450 1.00 0.00 C ATOM 1690 CG GLU B 228 84.001 -8.062 3.807 1.00 0.00 C ATOM 1691 CD GLU B 228 83.637 -6.985 2.773 1.00 0.00 C ATOM 1692 OE1 GLU B 228 82.470 -6.650 2.694 1.00 0.00 O ATOM 1693 OE2 GLU B 228 84.530 -6.498 2.085 1.00 0.00 O ATOM 0 H GLU B 228 87.516 -9.863 3.426 1.00 0.00 H new ATOM 0 HA GLU B 228 85.680 -9.309 5.497 1.00 0.00 H new ATOM 0 HB2 GLU B 228 86.121 -7.955 3.387 1.00 0.00 H new ATOM 0 HB3 GLU B 228 85.277 -9.187 2.469 1.00 0.00 H new ATOM 0 HG2 GLU B 228 83.218 -8.820 3.843 1.00 0.00 H new ATOM 0 HG3 GLU B 228 84.059 -7.617 4.800 1.00 0.00 H new ATOM 1700 N LYS B 229 84.812 -11.748 3.415 1.00 0.00 N ATOM 1701 CA LYS B 229 83.901 -12.882 3.257 1.00 0.00 C ATOM 1702 C LYS B 229 84.005 -13.826 4.463 1.00 0.00 C ATOM 1703 O LYS B 229 83.038 -14.514 4.795 1.00 0.00 O ATOM 1704 CB LYS B 229 84.235 -13.650 1.973 1.00 0.00 C ATOM 1705 CG LYS B 229 83.122 -14.658 1.675 1.00 0.00 C ATOM 1706 CD LYS B 229 83.391 -15.342 0.335 1.00 0.00 C ATOM 1707 CE LYS B 229 82.253 -16.313 0.027 1.00 0.00 C ATOM 1708 NZ LYS B 229 82.505 -16.973 -1.284 1.00 0.00 N ATOM 0 H LYS B 229 85.503 -11.654 2.671 1.00 0.00 H new ATOM 0 HA LYS B 229 82.882 -12.500 3.194 1.00 0.00 H new ATOM 0 HB2 LYS B 229 84.344 -12.956 1.140 1.00 0.00 H new ATOM 0 HB3 LYS B 229 85.188 -14.167 2.084 1.00 0.00 H new ATOM 0 HG2 LYS B 229 83.070 -15.402 2.470 1.00 0.00 H new ATOM 0 HG3 LYS B 229 82.157 -14.152 1.648 1.00 0.00 H new ATOM 0 HD2 LYS B 229 83.473 -14.597 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS B 229 84.341 -15.876 0.370 1.00 0.00 H new ATOM 0 HE2 LYS B 229 82.177 -17.062 0.815 1.00 0.00 H new ATOM 0 HE3 LYS B 229 81.303 -15.780 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 81.730 -17.634 -1.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 82.557 -16.252 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 83.404 -17.494 -1.243 1.00 0.00 H new ATOM 1722 N LYS B 230 85.184 -13.867 5.085 1.00 0.00 N ATOM 1723 CA LYS B 230 85.416 -14.741 6.226 1.00 0.00 C ATOM 1724 C LYS B 230 84.477 -14.393 7.380 1.00 0.00 C ATOM 1725 O LYS B 230 83.814 -15.277 7.931 1.00 0.00 O ATOM 1726 CB LYS B 230 86.873 -14.615 6.690 1.00 0.00 C ATOM 1727 CG LYS B 230 87.173 -15.706 7.720 1.00 0.00 C ATOM 1728 CD LYS B 230 88.653 -15.662 8.097 1.00 0.00 C ATOM 1729 CE LYS B 230 88.960 -16.789 9.083 1.00 0.00 C ATOM 1730 NZ LYS B 230 90.400 -16.741 9.456 1.00 0.00 N ATOM 0 H LYS B 230 85.990 -13.304 4.815 1.00 0.00 H new ATOM 0 HA LYS B 230 85.218 -15.767 5.917 1.00 0.00 H new ATOM 0 HB2 LYS B 230 87.547 -14.708 5.838 1.00 0.00 H new ATOM 0 HB3 LYS B 230 87.044 -13.631 7.126 1.00 0.00 H new ATOM 0 HG2 LYS B 230 86.557 -15.562 8.607 1.00 0.00 H new ATOM 0 HG3 LYS B 230 86.920 -16.685 7.312 1.00 0.00 H new ATOM 0 HD2 LYS B 230 89.270 -15.767 7.205 1.00 0.00 H new ATOM 0 HD3 LYS B 230 88.898 -14.698 8.542 1.00 0.00 H new ATOM 0 HE2 LYS B 230 88.339 -16.688 9.973 1.00 0.00 H new ATOM 0 HE3 LYS B 230 88.721 -17.754 8.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 90.611 -17.507 10.127 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 90.984 -16.857 8.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 90.613 -15.825 9.899 1.00 0.00 H new ATOM 1744 N GLU B 231 84.425 -13.106 7.740 1.00 0.00 N ATOM 1745 CA GLU B 231 83.567 -12.652 8.835 1.00 0.00 C ATOM 1746 C GLU B 231 82.095 -12.744 8.434 1.00 0.00 C ATOM 1747 O GLU B 231 81.533 -11.800 7.863 1.00 0.00 O ATOM 1748 CB GLU B 231 83.912 -11.209 9.196 1.00 0.00 C ATOM 1749 CG GLU B 231 85.305 -11.144 9.832 1.00 0.00 C ATOM 1750 CD GLU B 231 85.706 -9.688 10.114 1.00 0.00 C ATOM 1751 OE1 GLU B 231 84.927 -8.785 9.827 1.00 0.00 O ATOM 1752 OE2 GLU B 231 86.798 -9.493 10.616 1.00 0.00 O ATOM 0 H GLU B 231 84.964 -12.366 7.291 1.00 0.00 H new ATOM 0 HA GLU B 231 83.735 -13.294 9.700 1.00 0.00 H new ATOM 0 HB2 GLU B 231 83.882 -10.585 8.303 1.00 0.00 H new ATOM 0 HB3 GLU B 231 83.169 -10.811 9.887 1.00 0.00 H new ATOM 0 HG2 GLU B 231 85.313 -11.715 10.760 1.00 0.00 H new ATOM 0 HG3 GLU B 231 86.035 -11.605 9.167 1.00 0.00 H new ATOM 1759 N SER B 232 81.484 -13.895 8.723 1.00 0.00 N ATOM 1760 CA SER B 232 80.081 -14.121 8.386 1.00 0.00 C ATOM 1761 C SER B 232 79.467 -15.167 9.311 1.00 0.00 C ATOM 1762 O SER B 232 80.155 -16.084 9.770 1.00 0.00 O ATOM 1763 CB SER B 232 79.968 -14.579 6.931 1.00 0.00 C ATOM 1764 OG SER B 232 78.599 -14.764 6.598 1.00 0.00 O ATOM 0 H SER B 232 81.939 -14.681 9.188 1.00 0.00 H new ATOM 0 HA SER B 232 79.536 -13.186 8.514 1.00 0.00 H new ATOM 0 HB2 SER B 232 80.417 -13.838 6.269 1.00 0.00 H new ATOM 0 HB3 SER B 232 80.517 -15.510 6.788 1.00 0.00 H new ATOM 0 HG SER B 232 78.446 -15.700 6.350 1.00 0.00 H new ATOM 1770 N LEU B 233 78.166 -15.027 9.571 1.00 0.00 N ATOM 1771 CA LEU B 233 77.452 -15.964 10.434 1.00 0.00 C ATOM 1772 C LEU B 233 77.421 -17.348 9.798 1.00 0.00 C ATOM 1773 O LEU B 233 77.627 -18.358 10.479 1.00 0.00 O ATOM 1774 CB LEU B 233 76.017 -15.476 10.664 1.00 0.00 C ATOM 1775 CG LEU B 233 76.010 -14.315 11.670 1.00 0.00 C ATOM 1776 CD1 LEU B 233 74.656 -13.604 11.623 1.00 0.00 C ATOM 1777 CD2 LEU B 233 76.252 -14.851 13.090 1.00 0.00 C ATOM 0 H LEU B 233 77.588 -14.275 9.196 1.00 0.00 H new ATOM 0 HA LEU B 233 77.973 -16.021 11.390 1.00 0.00 H new ATOM 0 HB2 LEU B 233 75.579 -15.152 9.720 1.00 0.00 H new ATOM 0 HB3 LEU B 233 75.401 -16.295 11.037 1.00 0.00 H new ATOM 0 HG LEU B 233 76.802 -13.614 11.409 1.00 0.00 H new ATOM 0 HD11 LEU B 233 74.652 -12.781 12.337 1.00 0.00 H new ATOM 0 HD12 LEU B 233 74.484 -13.215 10.620 1.00 0.00 H new ATOM 0 HD13 LEU B 233 73.865 -14.310 11.879 1.00 0.00 H new ATOM 0 HD21 LEU B 233 76.246 -14.022 13.798 1.00 0.00 H new ATOM 0 HD22 LEU B 233 75.464 -15.557 13.351 1.00 0.00 H new ATOM 0 HD23 LEU B 233 77.218 -15.354 13.129 1.00 0.00 H new ATOM 1789 N ARG B 234 77.164 -17.381 8.487 1.00 0.00 N ATOM 1790 CA ARG B 234 77.102 -18.641 7.753 1.00 0.00 C ATOM 1791 C ARG B 234 78.125 -18.657 6.625 1.00 0.00 C ATOM 1792 O ARG B 234 78.108 -17.792 5.745 1.00 0.00 O ATOM 1793 CB ARG B 234 75.697 -18.836 7.178 1.00 0.00 C ATOM 1794 CG ARG B 234 75.541 -20.274 6.672 1.00 0.00 C ATOM 1795 CD ARG B 234 74.138 -20.468 6.094 1.00 0.00 C ATOM 1796 NE ARG B 234 73.913 -21.883 5.772 1.00 0.00 N ATOM 1797 CZ ARG B 234 74.299 -22.436 4.606 1.00 0.00 C ATOM 1798 NH1 ARG B 234 74.908 -21.734 3.678 1.00 0.00 N ATOM 1799 NH2 ARG B 234 74.065 -23.702 4.395 1.00 0.00 N ATOM 0 H ARG B 234 76.997 -16.552 7.917 1.00 0.00 H new ATOM 0 HA ARG B 234 77.331 -19.455 8.441 1.00 0.00 H new ATOM 0 HB2 ARG B 234 74.949 -18.626 7.942 1.00 0.00 H new ATOM 0 HB3 ARG B 234 75.526 -18.133 6.363 1.00 0.00 H new ATOM 0 HG2 ARG B 234 76.291 -20.485 5.910 1.00 0.00 H new ATOM 0 HG3 ARG B 234 75.709 -20.977 7.488 1.00 0.00 H new ATOM 0 HD2 ARG B 234 73.391 -20.128 6.811 1.00 0.00 H new ATOM 0 HD3 ARG B 234 74.019 -19.860 5.197 1.00 0.00 H new ATOM 0 HE ARG B 234 73.445 -22.472 6.460 1.00 0.00 H new ATOM 0 HH11 ARG B 234 75.100 -20.744 3.831 1.00 0.00 H new ATOM 0 HH12 ARG B 234 75.189 -22.179 2.804 1.00 0.00 H new ATOM 0 HH21 ARG B 234 73.595 -24.260 5.108 1.00 0.00 H new ATOM 0 HH22 ARG B 234 74.352 -24.134 3.517 1.00 0.00 H new ATOM 1813 N SER B 235 79.002 -19.660 6.659 1.00 0.00 N ATOM 1814 CA SER B 235 80.028 -19.812 5.636 1.00 0.00 C ATOM 1815 C SER B 235 79.412 -20.355 4.354 1.00 0.00 C ATOM 1816 O SER B 235 78.408 -21.071 4.395 1.00 0.00 O ATOM 1817 CB SER B 235 81.120 -20.762 6.126 1.00 0.00 C ATOM 1818 OG SER B 235 82.103 -20.911 5.109 1.00 0.00 O ATOM 0 H SER B 235 79.020 -20.377 7.384 1.00 0.00 H new ATOM 0 HA SER B 235 80.468 -18.836 5.434 1.00 0.00 H new ATOM 0 HB2 SER B 235 81.577 -20.371 7.035 1.00 0.00 H new ATOM 0 HB3 SER B 235 80.689 -21.731 6.377 1.00 0.00 H new ATOM 0 HG SER B 235 82.806 -21.518 5.420 1.00 0.00 H new ATOM 1824 N SER B 236 80.023 -20.010 3.220 1.00 0.00 N ATOM 1825 CA SER B 236 79.535 -20.465 1.924 1.00 0.00 C ATOM 1826 C SER B 236 79.722 -21.970 1.792 1.00 0.00 C ATOM 1827 O SER B 236 80.673 -22.536 2.337 1.00 0.00 O ATOM 1828 CB SER B 236 80.286 -19.754 0.801 1.00 0.00 C ATOM 1829 OG SER B 236 79.804 -18.423 0.684 1.00 0.00 O ATOM 0 H SER B 236 80.853 -19.419 3.176 1.00 0.00 H new ATOM 0 HA SER B 236 78.473 -20.229 1.849 1.00 0.00 H new ATOM 0 HB2 SER B 236 81.356 -19.749 1.010 1.00 0.00 H new ATOM 0 HB3 SER B 236 80.147 -20.287 -0.139 1.00 0.00 H new ATOM 0 HG SER B 236 80.166 -18.014 -0.130 1.00 0.00 H new ATOM 1835 N VAL B 237 78.804 -22.608 1.068 1.00 0.00 N ATOM 1836 CA VAL B 237 78.856 -24.057 0.860 1.00 0.00 C ATOM 1837 C VAL B 237 79.046 -24.370 -0.624 1.00 0.00 C ATOM 1838 O VAL B 237 78.334 -23.833 -1.477 1.00 0.00 O ATOM 1839 CB VAL B 237 77.563 -24.721 1.371 1.00 0.00 C ATOM 1840 CG1 VAL B 237 77.428 -24.519 2.885 1.00 0.00 C ATOM 1841 CG2 VAL B 237 76.338 -24.109 0.674 1.00 0.00 C ATOM 0 H VAL B 237 78.015 -22.146 0.615 1.00 0.00 H new ATOM 0 HA VAL B 237 79.702 -24.455 1.420 1.00 0.00 H new ATOM 0 HB VAL B 237 77.614 -25.786 1.147 1.00 0.00 H new ATOM 0 HG11 VAL B 237 76.511 -24.992 3.235 1.00 0.00 H new ATOM 0 HG12 VAL B 237 78.283 -24.968 3.390 1.00 0.00 H new ATOM 0 HG13 VAL B 237 77.394 -23.453 3.108 1.00 0.00 H new ATOM 0 HG21 VAL B 237 75.432 -24.588 1.045 1.00 0.00 H new ATOM 0 HG22 VAL B 237 76.296 -23.040 0.884 1.00 0.00 H new ATOM 0 HG23 VAL B 237 76.416 -24.264 -0.402 1.00 0.00 H new ATOM 1851 N HIS B 238 80.013 -25.240 -0.916 1.00 0.00 N ATOM 1852 CA HIS B 238 80.304 -25.632 -2.295 1.00 0.00 C ATOM 1853 C HIS B 238 80.566 -27.133 -2.373 1.00 0.00 C ATOM 1854 O HIS B 238 81.035 -27.738 -1.406 1.00 0.00 O ATOM 1855 CB HIS B 238 81.525 -24.868 -2.817 1.00 0.00 C ATOM 1856 CG HIS B 238 81.212 -23.397 -2.884 1.00 0.00 C ATOM 1857 ND1 HIS B 238 80.506 -22.838 -3.938 1.00 0.00 N ATOM 1858 CD2 HIS B 238 81.495 -22.357 -2.032 1.00 0.00 C ATOM 1859 CE1 HIS B 238 80.387 -21.520 -3.695 1.00 0.00 C ATOM 1860 NE2 HIS B 238 80.973 -21.175 -2.546 1.00 0.00 N ATOM 0 H HIS B 238 80.607 -25.686 -0.217 1.00 0.00 H new ATOM 0 HA HIS B 238 79.440 -25.388 -2.913 1.00 0.00 H new ATOM 0 HB2 HIS B 238 82.380 -25.038 -2.163 1.00 0.00 H new ATOM 0 HB3 HIS B 238 81.802 -25.236 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS B 238 82.040 -22.444 -1.104 1.00 0.00 H new ATOM 0 HE1 HIS B 238 79.880 -20.826 -4.349 1.00 0.00 H new ATOM 0 HE2 HIS B 238 81.026 -20.244 -2.133 1.00 0.00 H new ATOM 1868 N LYS B 239 80.252 -27.726 -3.528 1.00 0.00 N ATOM 1869 CA LYS B 239 80.446 -29.162 -3.732 1.00 0.00 C ATOM 1870 C LYS B 239 81.930 -29.517 -3.655 1.00 0.00 C ATOM 1871 O LYS B 239 82.299 -30.554 -3.099 1.00 0.00 O ATOM 1872 CB LYS B 239 79.888 -29.576 -5.097 1.00 0.00 C ATOM 1873 CG LYS B 239 79.876 -31.104 -5.205 1.00 0.00 C ATOM 1874 CD LYS B 239 79.179 -31.520 -6.500 1.00 0.00 C ATOM 1875 CE LYS B 239 79.072 -33.044 -6.555 1.00 0.00 C ATOM 1876 NZ LYS B 239 80.433 -33.637 -6.684 1.00 0.00 N ATOM 0 H LYS B 239 79.864 -27.235 -4.333 1.00 0.00 H new ATOM 0 HA LYS B 239 79.914 -29.698 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS B 239 78.878 -29.185 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS B 239 80.497 -29.150 -5.894 1.00 0.00 H new ATOM 0 HG2 LYS B 239 80.896 -31.488 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS B 239 79.360 -31.535 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS B 239 78.186 -31.073 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS B 239 79.738 -31.153 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS B 239 78.586 -33.417 -5.654 1.00 0.00 H new ATOM 0 HE3 LYS B 239 78.452 -33.345 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 80.352 -34.632 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 80.974 -33.111 -7.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 80.924 -33.582 -5.769 1.00 0.00 H new ATOM 1890 N ARG B 240 82.770 -28.649 -4.226 1.00 0.00 N ATOM 1891 CA ARG B 240 84.213 -28.867 -4.227 1.00 0.00 C ATOM 1892 C ARG B 240 84.726 -29.075 -2.801 1.00 0.00 C ATOM 1893 O ARG B 240 85.860 -29.500 -2.656 1.00 0.00 O ATOM 1894 CB ARG B 240 84.919 -27.663 -4.863 1.00 0.00 C ATOM 1895 CG ARG B 240 84.627 -27.619 -6.367 1.00 0.00 C ATOM 1896 CD ARG B 240 85.344 -26.417 -6.986 1.00 0.00 C ATOM 1897 NE ARG B 240 85.111 -26.370 -8.435 1.00 0.00 N ATOM 1898 CZ ARG B 240 85.850 -25.609 -9.267 1.00 0.00 C ATOM 1899 NH1 ARG B 240 86.830 -24.854 -8.820 1.00 0.00 N ATOM 1900 NH2 ARG B 240 85.590 -25.624 -10.545 1.00 0.00 N ATOM 1901 OXT ARG B 240 83.973 -28.813 -1.877 1.00 0.00 O ATOM 0 H ARG B 240 82.473 -27.791 -4.692 1.00 0.00 H new ATOM 0 HA ARG B 240 84.430 -29.763 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG B 240 84.580 -26.741 -4.391 1.00 0.00 H new ATOM 0 HB3 ARG B 240 85.994 -27.730 -4.695 1.00 0.00 H new ATOM 0 HG2 ARG B 240 84.963 -28.541 -6.841 1.00 0.00 H new ATOM 0 HG3 ARG B 240 83.553 -27.545 -6.539 1.00 0.00 H new ATOM 0 HD2 ARG B 240 84.988 -25.496 -6.524 1.00 0.00 H new ATOM 0 HD3 ARG B 240 86.413 -26.481 -6.785 1.00 0.00 H new ATOM 0 HE ARG B 240 84.359 -26.936 -8.828 1.00 0.00 H new ATOM 0 HH11 ARG B 240 87.045 -24.835 -7.823 1.00 0.00 H new ATOM 0 HH12 ARG B 240 87.374 -24.287 -9.470 1.00 0.00 H new ATOM 0 HH21 ARG B 240 84.835 -26.207 -10.905 1.00 0.00 H new ATOM 0 HH22 ARG B 240 86.142 -25.053 -11.185 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 97.107 -12.215 2.614 1.00 0.00 ZN