USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 219 HIS HE2 : B 219 HIS NE2 : B 300 ZNZN :(H bumps) USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= -0.95 USER MOD Set 1.2: A 25 ASN : amide:sc= -1.05 K(o=-2,f=-2.7!) USER MOD Set 2.1: A 7 THR OG1 : rot 121:sc= 1.21 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.23 (180deg=1.14) USER MOD Single : A 2 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.26) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -92:sc= 1.69 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.78 X(o=-0.78,f=-0.76) USER MOD Single : A 33 LYS NZ :NH3+ -106:sc= 0.00671 (180deg=-0.339) USER MOD Single : A 40 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= -2.29 K(o=-2.3,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.99 K(o=-3,f=-0.62) USER MOD Single : A 55 THR OG1 : rot -51:sc= 0.123 USER MOD Single : A 57 SER OG : rot 180:sc= -1.18 USER MOD Single : A 59 TYR OH : rot 25:sc= -2.86 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.4) USER MOD Single : A 63 LYS NZ :NH3+ -143:sc= -0.131 (180deg=-0.754) USER MOD Single : A 65 SER OG : rot 95:sc= 0.593 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.17) USER MOD Single : B 198 GLN : amide:sc= 0 X(o=0,f=0) 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= -1.21 K(o=-1.2,f=-3.9!) USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 HIS : no HD1:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 217 ASN : amide:sc= -0.25 K(o=-0.25,f=-3.6!) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 SER OG : rot -44:sc= 0.986 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 LYS NZ :NH3+ -130:sc= -1.69 (180deg=-4.82!) USER MOD Single : B 232 SER OG : rot 180:sc= 0 USER MOD Single : B 235 SER OG : rot 43:sc= 0.419 USER MOD Single : B 236 SER OG : rot 35:sc= 1.1 USER MOD Single : B 238 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.603 16.282 10.521 1.00 0.00 N ATOM 2 CA MET A 1 96.752 14.924 11.121 1.00 0.00 C ATOM 3 C MET A 1 98.016 14.274 10.579 1.00 0.00 C ATOM 4 O MET A 1 98.109 13.970 9.387 1.00 0.00 O ATOM 5 CB MET A 1 95.532 14.056 10.778 1.00 0.00 C ATOM 6 CG MET A 1 95.676 12.644 11.380 1.00 0.00 C ATOM 7 SD MET A 1 94.046 12.009 11.841 1.00 0.00 S ATOM 8 CE MET A 1 93.687 11.166 10.284 1.00 0.00 C ATOM 0 H1 MET A 1 95.778 16.758 10.939 1.00 0.00 H new ATOM 0 H2 MET A 1 97.459 16.842 10.712 1.00 0.00 H new ATOM 0 H3 MET A 1 96.469 16.195 9.493 1.00 0.00 H new ATOM 0 HA MET A 1 96.822 15.015 12.205 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.626 14.528 11.159 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.424 13.985 9.696 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.146 11.976 10.658 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.325 12.676 12.255 1.00 0.00 H new ATOM 0 HE1 MET A 1 92.707 10.692 10.344 1.00 0.00 H new ATOM 0 HE2 MET A 1 93.691 11.890 9.469 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.446 10.406 10.098 1.00 0.00 H new ATOM 20 N GLN A 2 98.964 14.050 11.477 1.00 0.00 N ATOM 21 CA GLN A 2 100.222 13.412 11.107 1.00 0.00 C ATOM 22 C GLN A 2 100.067 11.909 11.200 1.00 0.00 C ATOM 23 O GLN A 2 99.767 11.373 12.267 1.00 0.00 O ATOM 24 CB GLN A 2 101.359 13.874 12.018 1.00 0.00 C ATOM 25 CG GLN A 2 102.699 13.336 11.501 1.00 0.00 C ATOM 26 CD GLN A 2 103.847 13.906 12.330 1.00 0.00 C ATOM 27 OE1 GLN A 2 103.980 15.123 12.454 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.685 13.092 12.908 1.00 0.00 N ATOM 0 H GLN A 2 98.888 14.299 12.463 1.00 0.00 H new ATOM 0 HA GLN A 2 100.470 13.696 10.084 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.386 14.963 12.056 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.186 13.524 13.036 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.707 12.247 11.554 1.00 0.00 H new ATOM 0 HG3 GLN A 2 102.828 13.605 10.453 1.00 0.00 H new ATOM 0 HE21 GLN A 2 104.571 12.084 12.803 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.454 13.463 13.465 1.00 0.00 H new ATOM 37 N ILE A 3 100.275 11.245 10.074 1.00 0.00 N ATOM 38 CA ILE A 3 100.165 9.796 10.001 1.00 0.00 C ATOM 39 C ILE A 3 101.469 9.222 9.484 1.00 0.00 C ATOM 40 O ILE A 3 102.286 9.946 8.911 1.00 0.00 O ATOM 41 CB ILE A 3 98.992 9.388 9.089 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.200 9.956 7.668 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.677 9.923 9.683 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.205 9.318 6.691 1.00 0.00 C ATOM 0 H ILE A 3 100.523 11.691 9.191 1.00 0.00 H new ATOM 0 HA ILE A 3 99.968 9.399 10.997 1.00 0.00 H new ATOM 0 HB ILE A 3 98.946 8.301 9.025 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.068 11.038 7.678 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.220 9.763 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 3 96.844 9.636 9.041 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.529 9.502 10.678 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.725 11.010 9.752 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.362 9.727 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.358 8.239 6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.187 9.534 7.016 1.00 0.00 H new ATOM 56 N PHE A 4 101.659 7.927 9.694 1.00 0.00 N ATOM 57 CA PHE A 4 102.877 7.258 9.251 1.00 0.00 C ATOM 58 C PHE A 4 102.523 6.153 8.269 1.00 0.00 C ATOM 59 O PHE A 4 101.506 5.477 8.430 1.00 0.00 O ATOM 60 CB PHE A 4 103.617 6.652 10.451 1.00 0.00 C ATOM 61 CG PHE A 4 103.940 7.730 11.463 1.00 0.00 C ATOM 62 CD1 PHE A 4 103.046 7.994 12.508 1.00 0.00 C ATOM 63 CD2 PHE A 4 105.128 8.459 11.356 1.00 0.00 C ATOM 64 CE1 PHE A 4 103.338 8.991 13.444 1.00 0.00 C ATOM 65 CE2 PHE A 4 105.421 9.456 12.292 1.00 0.00 C ATOM 66 CZ PHE A 4 104.529 9.721 13.339 1.00 0.00 C ATOM 0 H PHE A 4 100.989 7.320 10.166 1.00 0.00 H new ATOM 0 HA PHE A 4 103.523 7.990 8.766 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.003 5.880 10.914 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.536 6.170 10.116 1.00 0.00 H new ATOM 0 HD1 PHE A 4 102.130 7.427 12.591 1.00 0.00 H new ATOM 0 HD2 PHE A 4 105.819 8.253 10.552 1.00 0.00 H new ATOM 0 HE1 PHE A 4 102.646 9.198 14.247 1.00 0.00 H new ATOM 0 HE2 PHE A 4 106.337 10.023 12.207 1.00 0.00 H new ATOM 0 HZ PHE A 4 104.759 10.487 14.064 1.00 0.00 H new ATOM 76 N VAL A 5 103.368 5.974 7.259 1.00 0.00 N ATOM 77 CA VAL A 5 103.147 4.935 6.255 1.00 0.00 C ATOM 78 C VAL A 5 104.364 4.018 6.246 1.00 0.00 C ATOM 79 O VAL A 5 105.504 4.490 6.295 1.00 0.00 O ATOM 80 CB VAL A 5 102.894 5.554 4.865 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.618 4.449 3.835 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.681 6.494 4.929 1.00 0.00 C ATOM 0 H VAL A 5 104.209 6.532 7.113 1.00 0.00 H new ATOM 0 HA VAL A 5 102.257 4.357 6.504 1.00 0.00 H new ATOM 0 HB VAL A 5 103.780 6.114 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.441 4.898 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.478 3.782 3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.738 3.881 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.506 6.929 3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.801 5.931 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 5 101.875 7.290 5.648 1.00 0.00 H new ATOM 92 N LYS A 6 104.110 2.712 6.203 1.00 0.00 N ATOM 93 CA LYS A 6 105.182 1.726 6.206 1.00 0.00 C ATOM 94 C LYS A 6 105.093 0.834 4.978 1.00 0.00 C ATOM 95 O LYS A 6 104.117 0.100 4.798 1.00 0.00 O ATOM 96 CB LYS A 6 105.096 0.871 7.472 1.00 0.00 C ATOM 97 CG LYS A 6 106.356 0.013 7.598 1.00 0.00 C ATOM 98 CD LYS A 6 106.312 -0.770 8.907 1.00 0.00 C ATOM 99 CE LYS A 6 107.560 -1.646 9.010 1.00 0.00 C ATOM 100 NZ LYS A 6 107.552 -2.366 10.312 1.00 0.00 N ATOM 0 H LYS A 6 103.171 2.315 6.166 1.00 0.00 H new ATOM 0 HA LYS A 6 106.137 2.252 6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 6 104.990 1.510 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.212 0.234 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.427 -0.673 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.243 0.645 7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.263 -0.085 9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.415 -1.388 8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 6 107.585 -2.360 8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 6 108.457 -1.032 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 108.401 -2.963 10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 107.547 -1.676 11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 106.703 -2.963 10.373 1.00 0.00 H new ATOM 114 N THR A 7 106.120 0.916 4.139 1.00 0.00 N ATOM 115 CA THR A 7 106.166 0.127 2.914 1.00 0.00 C ATOM 116 C THR A 7 106.596 -1.298 3.229 1.00 0.00 C ATOM 117 O THR A 7 107.109 -1.577 4.315 1.00 0.00 O ATOM 118 CB THR A 7 107.157 0.752 1.920 1.00 0.00 C ATOM 119 OG1 THR A 7 108.451 0.778 2.506 1.00 0.00 O ATOM 120 CG2 THR A 7 106.729 2.182 1.566 1.00 0.00 C ATOM 0 H THR A 7 106.930 1.519 4.284 1.00 0.00 H new ATOM 0 HA THR A 7 105.171 0.114 2.469 1.00 0.00 H new ATOM 0 HB THR A 7 107.172 0.154 1.009 1.00 0.00 H new ATOM 0 HG1 THR A 7 109.072 0.264 1.950 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.441 2.611 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 7 105.737 2.164 1.114 1.00 0.00 H new ATOM 0 HG23 THR A 7 106.704 2.789 2.471 1.00 0.00 H new ATOM 128 N LEU A 8 106.369 -2.196 2.273 1.00 0.00 N ATOM 129 CA LEU A 8 106.720 -3.604 2.436 1.00 0.00 C ATOM 130 C LEU A 8 108.231 -3.793 2.575 1.00 0.00 C ATOM 131 O LEU A 8 108.686 -4.785 3.150 1.00 0.00 O ATOM 132 CB LEU A 8 106.228 -4.401 1.227 1.00 0.00 C ATOM 133 CG LEU A 8 104.696 -4.368 1.160 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.234 -4.885 -0.206 1.00 0.00 C ATOM 135 CD2 LEU A 8 104.109 -5.254 2.264 1.00 0.00 C ATOM 0 H LEU A 8 105.942 -1.972 1.374 1.00 0.00 H new ATOM 0 HA LEU A 8 106.241 -3.963 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.649 -3.984 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.574 -5.432 1.296 1.00 0.00 H new ATOM 0 HG LEU A 8 104.352 -3.343 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 8 103.145 -4.862 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.646 -4.253 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.582 -5.909 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 8 103.021 -5.227 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.453 -6.279 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.435 -4.887 3.237 1.00 0.00 H new ATOM 147 N THR A 9 108.994 -2.831 2.053 1.00 0.00 N ATOM 148 CA THR A 9 110.453 -2.883 2.117 1.00 0.00 C ATOM 149 C THR A 9 110.966 -2.536 3.523 1.00 0.00 C ATOM 150 O THR A 9 112.118 -2.827 3.851 1.00 0.00 O ATOM 151 CB THR A 9 111.042 -1.915 1.087 1.00 0.00 C ATOM 152 OG1 THR A 9 110.426 -0.643 1.233 1.00 0.00 O ATOM 153 CG2 THR A 9 110.788 -2.452 -0.326 1.00 0.00 C ATOM 0 H THR A 9 108.624 -2.006 1.581 1.00 0.00 H new ATOM 0 HA THR A 9 110.772 -3.901 1.891 1.00 0.00 H new ATOM 0 HB THR A 9 112.116 -1.820 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.802 -0.020 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 9 111.208 -1.762 -1.058 1.00 0.00 H new ATOM 0 HG22 THR A 9 111.261 -3.428 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.715 -2.548 -0.491 1.00 0.00 H new ATOM 161 N GLY A 10 110.104 -1.926 4.350 1.00 0.00 N ATOM 162 CA GLY A 10 110.479 -1.558 5.716 1.00 0.00 C ATOM 163 C GLY A 10 110.680 -0.049 5.879 1.00 0.00 C ATOM 164 O GLY A 10 110.713 0.451 7.007 1.00 0.00 O ATOM 0 H GLY A 10 109.148 -1.680 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.705 -1.895 6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.398 -2.076 5.990 1.00 0.00 H new ATOM 168 N LYS A 11 110.806 0.673 4.757 1.00 0.00 N ATOM 169 CA LYS A 11 110.994 2.121 4.805 1.00 0.00 C ATOM 170 C LYS A 11 109.827 2.770 5.542 1.00 0.00 C ATOM 171 O LYS A 11 108.703 2.260 5.514 1.00 0.00 O ATOM 172 CB LYS A 11 111.098 2.694 3.389 1.00 0.00 C ATOM 173 CG LYS A 11 111.487 4.175 3.461 1.00 0.00 C ATOM 174 CD LYS A 11 111.631 4.728 2.049 1.00 0.00 C ATOM 175 CE LYS A 11 112.037 6.201 2.114 1.00 0.00 C ATOM 176 NZ LYS A 11 112.165 6.742 0.732 1.00 0.00 N ATOM 0 H LYS A 11 110.781 0.279 3.817 1.00 0.00 H new ATOM 0 HA LYS A 11 111.921 2.336 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.841 2.140 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 11 110.146 2.582 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.729 4.736 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.424 4.291 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.380 4.158 1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.690 4.623 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.293 6.770 2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.983 6.306 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 112.441 7.744 0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 112.890 6.205 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 111.253 6.655 0.239 1.00 0.00 H new ATOM 190 N THR A 12 110.110 3.894 6.202 1.00 0.00 N ATOM 191 CA THR A 12 109.084 4.615 6.956 1.00 0.00 C ATOM 192 C THR A 12 109.031 6.077 6.527 1.00 0.00 C ATOM 193 O THR A 12 110.050 6.771 6.508 1.00 0.00 O ATOM 194 CB THR A 12 109.372 4.530 8.460 1.00 0.00 C ATOM 195 OG1 THR A 12 109.594 3.174 8.821 1.00 0.00 O ATOM 196 CG2 THR A 12 108.171 5.069 9.244 1.00 0.00 C ATOM 0 H THR A 12 111.035 4.323 6.230 1.00 0.00 H new ATOM 0 HA THR A 12 108.120 4.151 6.748 1.00 0.00 H new ATOM 0 HB THR A 12 110.256 5.123 8.693 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.780 3.117 9.782 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.377 5.008 10.313 1.00 0.00 H new ATOM 0 HG22 THR A 12 107.993 6.108 8.968 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.288 4.475 9.010 1.00 0.00 H new ATOM 204 N ILE A 13 107.826 6.527 6.194 1.00 0.00 N ATOM 205 CA ILE A 13 107.597 7.906 5.768 1.00 0.00 C ATOM 206 C ILE A 13 106.440 8.508 6.563 1.00 0.00 C ATOM 207 O ILE A 13 105.356 7.920 6.635 1.00 0.00 O ATOM 208 CB ILE A 13 107.282 7.947 4.252 1.00 0.00 C ATOM 209 CG1 ILE A 13 106.986 9.400 3.801 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.072 7.044 3.939 1.00 0.00 C ATOM 211 CD1 ILE A 13 106.830 9.472 2.275 1.00 0.00 C ATOM 0 H ILE A 13 106.984 5.951 6.211 1.00 0.00 H new ATOM 0 HA ILE A 13 108.497 8.492 5.955 1.00 0.00 H new ATOM 0 HB ILE A 13 108.152 7.581 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.076 9.757 4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.795 10.057 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 13 105.858 7.079 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.299 6.018 4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.203 7.395 4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.623 10.500 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.751 9.136 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 13 106.005 8.831 1.963 1.00 0.00 H new ATOM 223 N THR A 14 106.670 9.698 7.115 1.00 0.00 N ATOM 224 CA THR A 14 105.627 10.393 7.864 1.00 0.00 C ATOM 225 C THR A 14 104.923 11.344 6.918 1.00 0.00 C ATOM 226 O THR A 14 105.564 12.169 6.261 1.00 0.00 O ATOM 227 CB THR A 14 106.208 11.169 9.043 1.00 0.00 C ATOM 228 OG1 THR A 14 107.073 10.326 9.789 1.00 0.00 O ATOM 229 CG2 THR A 14 105.066 11.655 9.942 1.00 0.00 C ATOM 0 H THR A 14 107.559 10.196 7.059 1.00 0.00 H new ATOM 0 HA THR A 14 104.928 9.661 8.269 1.00 0.00 H new ATOM 0 HB THR A 14 106.771 12.025 8.672 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.567 9.890 10.506 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.478 12.210 10.785 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.403 12.304 9.370 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.504 10.797 10.312 1.00 0.00 H new ATOM 237 N LEU A 15 103.611 11.176 6.812 1.00 0.00 N ATOM 238 CA LEU A 15 102.812 11.972 5.891 1.00 0.00 C ATOM 239 C LEU A 15 101.796 12.820 6.635 1.00 0.00 C ATOM 240 O LEU A 15 101.093 12.333 7.525 1.00 0.00 O ATOM 241 CB LEU A 15 102.100 11.023 4.921 1.00 0.00 C ATOM 242 CG LEU A 15 101.428 11.800 3.784 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.487 12.455 2.881 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.590 10.825 2.958 1.00 0.00 C ATOM 0 H LEU A 15 103.078 10.495 7.353 1.00 0.00 H new ATOM 0 HA LEU A 15 103.466 12.651 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.818 10.315 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.352 10.441 5.460 1.00 0.00 H new ATOM 0 HG LEU A 15 100.798 12.584 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.993 13.003 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.093 13.143 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.127 11.684 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.104 11.362 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.235 10.049 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.832 10.368 3.594 1.00 0.00 H new ATOM 256 N GLU A 16 101.728 14.091 6.252 1.00 0.00 N ATOM 257 CA GLU A 16 100.798 15.028 6.868 1.00 0.00 C ATOM 258 C GLU A 16 99.532 15.132 6.033 1.00 0.00 C ATOM 259 O GLU A 16 99.574 15.579 4.884 1.00 0.00 O ATOM 260 CB GLU A 16 101.440 16.410 6.983 1.00 0.00 C ATOM 261 CG GLU A 16 102.584 16.364 8.006 1.00 0.00 C ATOM 262 CD GLU A 16 103.321 17.712 8.091 1.00 0.00 C ATOM 263 OE1 GLU A 16 102.884 18.671 7.467 1.00 0.00 O ATOM 264 OE2 GLU A 16 104.323 17.762 8.786 1.00 0.00 O ATOM 0 H GLU A 16 102.307 14.495 5.516 1.00 0.00 H new ATOM 0 HA GLU A 16 100.547 14.662 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 16 101.820 16.727 6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 16 100.694 17.144 7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 16 102.186 16.104 8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 16 103.289 15.580 7.730 1.00 0.00 H new ATOM 271 N VAL A 17 98.415 14.710 6.615 1.00 0.00 N ATOM 272 CA VAL A 17 97.130 14.747 5.918 1.00 0.00 C ATOM 273 C VAL A 17 96.024 15.150 6.879 1.00 0.00 C ATOM 274 O VAL A 17 96.276 15.334 8.071 1.00 0.00 O ATOM 275 CB VAL A 17 96.815 13.380 5.288 1.00 0.00 C ATOM 276 CG1 VAL A 17 97.899 13.033 4.266 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.768 12.291 6.373 1.00 0.00 C ATOM 0 H VAL A 17 98.371 14.339 7.564 1.00 0.00 H new ATOM 0 HA VAL A 17 97.192 15.487 5.120 1.00 0.00 H new ATOM 0 HB VAL A 17 95.844 13.431 4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.679 12.064 3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 17 97.923 13.796 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 17 98.868 12.991 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.544 11.329 5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.733 12.237 6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 17 95.993 12.535 7.100 1.00 0.00 H new ATOM 287 N GLU A 18 94.802 15.277 6.362 1.00 0.00 N ATOM 288 CA GLU A 18 93.661 15.644 7.198 1.00 0.00 C ATOM 289 C GLU A 18 92.517 14.630 7.025 1.00 0.00 C ATOM 290 O GLU A 18 92.378 14.048 5.948 1.00 0.00 O ATOM 291 CB GLU A 18 93.159 17.046 6.845 1.00 0.00 C ATOM 292 CG GLU A 18 94.194 18.084 7.284 1.00 0.00 C ATOM 293 CD GLU A 18 93.742 19.478 6.863 1.00 0.00 C ATOM 294 OE1 GLU A 18 94.150 19.912 5.799 1.00 0.00 O ATOM 295 OE2 GLU A 18 92.998 20.089 7.610 1.00 0.00 O ATOM 0 H GLU A 18 94.578 15.133 5.377 1.00 0.00 H new ATOM 0 HA GLU A 18 93.991 15.637 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.985 17.122 5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 18 92.205 17.237 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 18 94.324 18.046 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 18 95.162 17.856 6.838 1.00 0.00 H new ATOM 302 N PRO A 19 91.690 14.407 8.047 1.00 0.00 N ATOM 303 CA PRO A 19 90.546 13.441 7.956 1.00 0.00 C ATOM 304 C PRO A 19 89.616 13.765 6.783 1.00 0.00 C ATOM 305 O PRO A 19 89.008 12.869 6.191 1.00 0.00 O ATOM 306 CB PRO A 19 89.816 13.606 9.295 1.00 0.00 C ATOM 307 CG PRO A 19 90.838 14.148 10.233 1.00 0.00 C ATOM 308 CD PRO A 19 91.744 15.032 9.393 1.00 0.00 C ATOM 0 HA PRO A 19 90.886 12.421 7.778 1.00 0.00 H new ATOM 0 HB2 PRO A 19 88.969 14.285 9.200 1.00 0.00 H new ATOM 0 HB3 PRO A 19 89.423 12.653 9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 19 90.369 14.719 11.035 1.00 0.00 H new ATOM 0 HG3 PRO A 19 91.403 13.343 10.703 1.00 0.00 H new ATOM 0 HD2 PRO A 19 91.390 16.063 9.371 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.761 15.052 9.785 1.00 0.00 H new ATOM 316 N SER A 20 89.523 15.056 6.462 1.00 0.00 N ATOM 317 CA SER A 20 88.676 15.521 5.360 1.00 0.00 C ATOM 318 C SER A 20 89.302 15.201 3.997 1.00 0.00 C ATOM 319 O SER A 20 88.595 15.156 2.986 1.00 0.00 O ATOM 320 CB SER A 20 88.466 17.032 5.474 1.00 0.00 C ATOM 321 OG SER A 20 87.614 17.307 6.579 1.00 0.00 O ATOM 0 H SER A 20 90.024 15.799 6.949 1.00 0.00 H new ATOM 0 HA SER A 20 87.721 15.001 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 20 89.424 17.535 5.605 1.00 0.00 H new ATOM 0 HB3 SER A 20 88.026 17.420 4.555 1.00 0.00 H new ATOM 0 HG SER A 20 87.479 18.275 6.655 1.00 0.00 H new ATOM 327 N ASP A 21 90.622 14.983 3.978 1.00 0.00 N ATOM 328 CA ASP A 21 91.327 14.672 2.739 1.00 0.00 C ATOM 329 C ASP A 21 90.952 13.280 2.253 1.00 0.00 C ATOM 330 O ASP A 21 90.801 12.354 3.054 1.00 0.00 O ATOM 331 CB ASP A 21 92.845 14.749 2.955 1.00 0.00 C ATOM 332 CG ASP A 21 93.281 16.184 3.271 1.00 0.00 C ATOM 333 OD1 ASP A 21 92.655 17.110 2.776 1.00 0.00 O ATOM 334 OD2 ASP A 21 94.243 16.335 4.003 1.00 0.00 O ATOM 0 H ASP A 21 91.218 15.017 4.805 1.00 0.00 H new ATOM 0 HA ASP A 21 91.036 15.404 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 21 93.134 14.089 3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 21 93.362 14.396 2.062 1.00 0.00 H new ATOM 339 N THR A 22 90.804 13.147 0.936 1.00 0.00 N ATOM 340 CA THR A 22 90.443 11.871 0.337 1.00 0.00 C ATOM 341 C THR A 22 91.683 11.014 0.115 1.00 0.00 C ATOM 342 O THR A 22 92.803 11.526 0.090 1.00 0.00 O ATOM 343 CB THR A 22 89.734 12.110 -0.998 1.00 0.00 C ATOM 344 OG1 THR A 22 90.461 13.068 -1.755 1.00 0.00 O ATOM 345 CG2 THR A 22 88.315 12.628 -0.746 1.00 0.00 C ATOM 0 H THR A 22 90.929 13.907 0.268 1.00 0.00 H new ATOM 0 HA THR A 22 89.773 11.344 1.016 1.00 0.00 H new ATOM 0 HB THR A 22 89.681 11.172 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 22 90.008 13.221 -2.611 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.815 12.797 -1.700 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.756 11.892 -0.168 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.363 13.565 -0.191 1.00 0.00 H new ATOM 353 N ILE A 23 91.471 9.709 -0.018 1.00 0.00 N ATOM 354 CA ILE A 23 92.579 8.779 -0.210 1.00 0.00 C ATOM 355 C ILE A 23 93.320 9.132 -1.504 1.00 0.00 C ATOM 356 O ILE A 23 94.554 9.127 -1.533 1.00 0.00 O ATOM 357 CB ILE A 23 92.052 7.324 -0.247 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.457 6.933 1.137 1.00 0.00 C ATOM 359 CG2 ILE A 23 93.185 6.348 -0.640 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.508 6.981 2.266 1.00 0.00 C ATOM 0 H ILE A 23 90.549 9.273 0.003 1.00 0.00 H new ATOM 0 HA ILE A 23 93.276 8.861 0.624 1.00 0.00 H new ATOM 0 HB ILE A 23 91.265 7.258 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.636 7.608 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 23 91.037 5.929 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 23 92.797 5.330 -0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.566 6.612 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 23 93.992 6.414 0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 23 92.041 6.700 3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 23 93.317 6.286 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 23 92.910 7.991 2.347 1.00 0.00 H new ATOM 372 N GLU A 24 92.565 9.431 -2.560 1.00 0.00 N ATOM 373 CA GLU A 24 93.166 9.790 -3.845 1.00 0.00 C ATOM 374 C GLU A 24 94.095 11.001 -3.677 1.00 0.00 C ATOM 375 O GLU A 24 95.126 11.107 -4.351 1.00 0.00 O ATOM 376 CB GLU A 24 92.061 10.137 -4.847 1.00 0.00 C ATOM 377 CG GLU A 24 92.668 10.306 -6.247 1.00 0.00 C ATOM 378 CD GLU A 24 91.590 10.625 -7.292 1.00 0.00 C ATOM 379 OE1 GLU A 24 90.420 10.376 -7.030 1.00 0.00 O ATOM 380 OE2 GLU A 24 91.955 11.123 -8.342 1.00 0.00 O ATOM 0 H GLU A 24 91.545 9.432 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 24 93.746 8.943 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.307 9.350 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 24 91.558 11.055 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 24 93.408 11.106 -6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 24 93.192 9.393 -6.530 1.00 0.00 H new ATOM 387 N ASN A 25 93.736 11.880 -2.737 1.00 0.00 N ATOM 388 CA ASN A 25 94.548 13.060 -2.435 1.00 0.00 C ATOM 389 C ASN A 25 95.833 12.657 -1.711 1.00 0.00 C ATOM 390 O ASN A 25 96.901 13.223 -1.961 1.00 0.00 O ATOM 391 CB ASN A 25 93.755 14.058 -1.581 1.00 0.00 C ATOM 392 CG ASN A 25 92.738 14.818 -2.439 1.00 0.00 C ATOM 393 OD1 ASN A 25 92.860 14.872 -3.667 1.00 0.00 O ATOM 394 ND2 ASN A 25 91.734 15.415 -1.860 1.00 0.00 N ATOM 0 H ASN A 25 92.890 11.796 -2.174 1.00 0.00 H new ATOM 0 HA ASN A 25 94.812 13.540 -3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.239 13.529 -0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.439 14.763 -1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 25 91.052 15.925 -2.421 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.631 15.372 -0.846 1.00 0.00 H new ATOM 401 N VAL A 26 95.711 11.680 -0.805 1.00 0.00 N ATOM 402 CA VAL A 26 96.853 11.198 -0.025 1.00 0.00 C ATOM 403 C VAL A 26 97.918 10.597 -0.945 1.00 0.00 C ATOM 404 O VAL A 26 99.112 10.859 -0.769 1.00 0.00 O ATOM 405 CB VAL A 26 96.382 10.141 1.001 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.578 9.570 1.787 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.402 10.781 1.989 1.00 0.00 C ATOM 0 H VAL A 26 94.831 11.208 -0.595 1.00 0.00 H new ATOM 0 HA VAL A 26 97.292 12.042 0.507 1.00 0.00 H new ATOM 0 HB VAL A 26 95.894 9.332 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.223 8.829 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.277 9.100 1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 26 98.082 10.377 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 26 95.072 10.033 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.896 11.598 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.539 11.167 1.447 1.00 0.00 H new ATOM 417 N LYS A 27 97.483 9.768 -1.898 1.00 0.00 N ATOM 418 CA LYS A 27 98.422 9.113 -2.808 1.00 0.00 C ATOM 419 C LYS A 27 99.287 10.151 -3.516 1.00 0.00 C ATOM 420 O LYS A 27 100.514 10.025 -3.544 1.00 0.00 O ATOM 421 CB LYS A 27 97.670 8.268 -3.838 1.00 0.00 C ATOM 422 CG LYS A 27 97.005 7.085 -3.135 1.00 0.00 C ATOM 423 CD LYS A 27 96.239 6.247 -4.159 1.00 0.00 C ATOM 424 CE LYS A 27 95.607 5.043 -3.461 1.00 0.00 C ATOM 425 NZ LYS A 27 94.811 4.259 -4.446 1.00 0.00 N ATOM 0 H LYS A 27 96.502 9.538 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 27 99.066 8.458 -2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.918 8.874 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.358 7.910 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.758 6.473 -2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.326 7.443 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.467 6.851 -4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 27 96.913 5.912 -4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 27 96.383 4.415 -3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 27 94.967 5.377 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.381 3.440 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 94.062 4.861 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 95.433 3.928 -5.211 1.00 0.00 H new ATOM 439 N ALA A 28 98.642 11.173 -4.084 1.00 0.00 N ATOM 440 CA ALA A 28 99.367 12.232 -4.793 1.00 0.00 C ATOM 441 C ALA A 28 100.467 12.821 -3.909 1.00 0.00 C ATOM 442 O ALA A 28 101.574 13.078 -4.388 1.00 0.00 O ATOM 443 CB ALA A 28 98.398 13.338 -5.214 1.00 0.00 C ATOM 0 H ALA A 28 97.629 11.290 -4.068 1.00 0.00 H new ATOM 0 HA ALA A 28 99.828 11.797 -5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.945 14.120 -5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.636 12.922 -5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.922 13.760 -4.329 1.00 0.00 H new ATOM 449 N LYS A 29 100.160 13.012 -2.622 1.00 0.00 N ATOM 450 CA LYS A 29 101.144 13.551 -1.678 1.00 0.00 C ATOM 451 C LYS A 29 102.329 12.592 -1.558 1.00 0.00 C ATOM 452 O LYS A 29 103.495 13.016 -1.534 1.00 0.00 O ATOM 453 CB LYS A 29 100.509 13.746 -0.299 1.00 0.00 C ATOM 454 CG LYS A 29 99.484 14.882 -0.355 1.00 0.00 C ATOM 455 CD LYS A 29 98.861 15.071 1.030 1.00 0.00 C ATOM 456 CE LYS A 29 97.849 16.220 0.988 1.00 0.00 C ATOM 457 NZ LYS A 29 97.263 16.415 2.345 1.00 0.00 N ATOM 0 H LYS A 29 99.249 12.804 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 29 101.490 14.515 -2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 29 100.026 12.823 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.280 13.975 0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.965 15.805 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.709 14.652 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.369 14.151 1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.639 15.285 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 29 98.337 17.136 0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 29 97.061 15.999 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.576 17.195 2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.784 15.542 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 98.020 16.644 3.020 1.00 0.00 H new ATOM 471 N ILE A 30 102.016 11.297 -1.496 1.00 0.00 N ATOM 472 CA ILE A 30 103.039 10.261 -1.391 1.00 0.00 C ATOM 473 C ILE A 30 103.921 10.296 -2.638 1.00 0.00 C ATOM 474 O ILE A 30 105.133 10.170 -2.538 1.00 0.00 O ATOM 475 CB ILE A 30 102.384 8.875 -1.226 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.662 8.825 0.130 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.456 7.767 -1.268 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.752 7.592 0.197 1.00 0.00 C ATOM 0 H ILE A 30 101.060 10.942 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 30 103.656 10.448 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 30 101.677 8.714 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.392 8.792 0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 30 101.072 9.730 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 30 102.979 6.794 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 30 103.978 7.802 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.170 7.921 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.245 7.566 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 30 100.011 7.643 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.352 6.690 0.078 1.00 0.00 H new ATOM 490 N GLN A 31 103.296 10.450 -3.806 1.00 0.00 N ATOM 491 CA GLN A 31 104.031 10.487 -5.076 1.00 0.00 C ATOM 492 C GLN A 31 105.162 11.517 -5.007 1.00 0.00 C ATOM 493 O GLN A 31 106.238 11.299 -5.564 1.00 0.00 O ATOM 494 CB GLN A 31 103.069 10.839 -6.222 1.00 0.00 C ATOM 495 CG GLN A 31 103.812 10.813 -7.567 1.00 0.00 C ATOM 496 CD GLN A 31 102.888 11.261 -8.694 1.00 0.00 C ATOM 497 OE1 GLN A 31 102.117 12.206 -8.528 1.00 0.00 O ATOM 498 NE2 GLN A 31 102.932 10.643 -9.840 1.00 0.00 N ATOM 0 H GLN A 31 102.286 10.551 -3.902 1.00 0.00 H new ATOM 0 HA GLN A 31 104.466 9.505 -5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 31 102.241 10.130 -6.242 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.639 11.827 -6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 31 104.683 11.467 -7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 31 104.179 9.806 -7.768 1.00 0.00 H new ATOM 0 HE21 GLN A 31 103.572 9.860 -9.973 1.00 0.00 H new ATOM 0 HE22 GLN A 31 102.326 10.942 -10.604 1.00 0.00 H new ATOM 507 N ASP A 32 104.895 12.641 -4.349 1.00 0.00 N ATOM 508 CA ASP A 32 105.883 13.708 -4.219 1.00 0.00 C ATOM 509 C ASP A 32 107.095 13.277 -3.385 1.00 0.00 C ATOM 510 O ASP A 32 108.214 13.735 -3.635 1.00 0.00 O ATOM 511 CB ASP A 32 105.237 14.942 -3.593 1.00 0.00 C ATOM 512 CG ASP A 32 104.551 15.775 -4.669 1.00 0.00 C ATOM 513 OD1 ASP A 32 103.349 15.950 -4.582 1.00 0.00 O ATOM 514 OD2 ASP A 32 105.243 16.224 -5.570 1.00 0.00 O ATOM 0 H ASP A 32 104.002 12.837 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 32 106.241 13.944 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 32 104.511 14.639 -2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 32 105.994 15.541 -3.086 1.00 0.00 H new ATOM 519 N LYS A 33 106.863 12.429 -2.374 1.00 0.00 N ATOM 520 CA LYS A 33 107.956 11.983 -1.490 1.00 0.00 C ATOM 521 C LYS A 33 108.592 10.661 -1.921 1.00 0.00 C ATOM 522 O LYS A 33 109.779 10.439 -1.666 1.00 0.00 O ATOM 523 CB LYS A 33 107.442 11.834 -0.056 1.00 0.00 C ATOM 524 CG LYS A 33 107.150 13.216 0.531 1.00 0.00 C ATOM 525 CD LYS A 33 106.612 13.068 1.953 1.00 0.00 C ATOM 526 CE LYS A 33 106.323 14.453 2.531 1.00 0.00 C ATOM 527 NZ LYS A 33 105.786 14.310 3.915 1.00 0.00 N ATOM 0 H LYS A 33 105.947 12.042 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 33 108.726 12.752 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.538 11.225 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 33 108.183 11.318 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 33 108.058 13.819 0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 33 106.424 13.740 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.703 12.466 1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 33 107.338 12.546 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 33 107.234 15.052 2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 33 105.604 14.979 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 104.765 14.506 3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 105.952 13.341 4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 106.267 14.983 4.545 1.00 0.00 H new ATOM 541 N GLU A 34 107.811 9.786 -2.546 1.00 0.00 N ATOM 542 CA GLU A 34 108.310 8.479 -2.980 1.00 0.00 C ATOM 543 C GLU A 34 108.628 8.445 -4.475 1.00 0.00 C ATOM 544 O GLU A 34 109.304 7.525 -4.943 1.00 0.00 O ATOM 545 CB GLU A 34 107.266 7.404 -2.654 1.00 0.00 C ATOM 546 CG GLU A 34 107.115 7.276 -1.130 1.00 0.00 C ATOM 547 CD GLU A 34 108.403 6.721 -0.497 1.00 0.00 C ATOM 548 OE1 GLU A 34 108.485 6.732 0.718 1.00 0.00 O ATOM 549 OE2 GLU A 34 109.284 6.278 -1.229 1.00 0.00 O ATOM 0 H GLU A 34 106.829 9.955 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 34 109.239 8.286 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.308 7.665 -3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 34 107.568 6.448 -3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 34 106.884 8.251 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 34 106.278 6.618 -0.897 1.00 0.00 H new ATOM 556 N GLY A 35 108.144 9.444 -5.217 1.00 0.00 N ATOM 557 CA GLY A 35 108.387 9.513 -6.655 1.00 0.00 C ATOM 558 C GLY A 35 107.666 8.395 -7.408 1.00 0.00 C ATOM 559 O GLY A 35 108.036 8.082 -8.542 1.00 0.00 O ATOM 0 H GLY A 35 107.584 10.212 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 35 108.054 10.479 -7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.458 9.448 -6.846 1.00 0.00 H new ATOM 563 N ILE A 36 106.651 7.781 -6.778 1.00 0.00 N ATOM 564 CA ILE A 36 105.917 6.686 -7.419 1.00 0.00 C ATOM 565 C ILE A 36 104.478 7.121 -7.771 1.00 0.00 C ATOM 566 O ILE A 36 103.799 7.716 -6.929 1.00 0.00 O ATOM 567 CB ILE A 36 105.881 5.435 -6.522 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.318 5.021 -6.161 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.198 4.275 -7.272 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.303 4.035 -4.990 1.00 0.00 C ATOM 0 H ILE A 36 106.327 8.021 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 36 106.445 6.435 -8.339 1.00 0.00 H new ATOM 0 HB ILE A 36 105.322 5.663 -5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.801 4.564 -7.025 1.00 0.00 H new ATOM 0 HG13 ILE A 36 107.903 5.902 -5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.175 3.392 -6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 36 104.179 4.561 -7.533 1.00 0.00 H new ATOM 0 HG23 ILE A 36 105.756 4.051 -8.181 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.325 3.748 -4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 36 106.838 4.506 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.735 3.148 -5.269 1.00 0.00 H new ATOM 582 N PRO A 37 103.994 6.828 -8.983 1.00 0.00 N ATOM 583 CA PRO A 37 102.612 7.208 -9.401 1.00 0.00 C ATOM 584 C PRO A 37 101.528 6.645 -8.457 1.00 0.00 C ATOM 585 O PRO A 37 101.697 5.547 -7.920 1.00 0.00 O ATOM 586 CB PRO A 37 102.463 6.627 -10.814 1.00 0.00 C ATOM 587 CG PRO A 37 103.548 5.615 -10.946 1.00 0.00 C ATOM 588 CD PRO A 37 104.688 6.117 -10.081 1.00 0.00 C ATOM 0 HA PRO A 37 102.475 8.289 -9.370 1.00 0.00 H new ATOM 0 HB2 PRO A 37 101.482 6.171 -10.949 1.00 0.00 H new ATOM 0 HB3 PRO A 37 102.559 7.406 -11.570 1.00 0.00 H new ATOM 0 HG2 PRO A 37 103.209 4.633 -10.615 1.00 0.00 H new ATOM 0 HG3 PRO A 37 103.862 5.511 -11.985 1.00 0.00 H new ATOM 0 HD2 PRO A 37 105.300 5.297 -9.706 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.351 6.782 -10.635 1.00 0.00 H new ATOM 596 N PRO A 38 100.423 7.365 -8.241 1.00 0.00 N ATOM 597 CA PRO A 38 99.324 6.896 -7.337 1.00 0.00 C ATOM 598 C PRO A 38 98.692 5.589 -7.821 1.00 0.00 C ATOM 599 O PRO A 38 98.235 4.778 -7.011 1.00 0.00 O ATOM 600 CB PRO A 38 98.302 8.045 -7.360 1.00 0.00 C ATOM 601 CG PRO A 38 98.600 8.829 -8.591 1.00 0.00 C ATOM 602 CD PRO A 38 100.095 8.687 -8.830 1.00 0.00 C ATOM 0 HA PRO A 38 99.693 6.675 -6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.282 7.661 -7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 38 98.392 8.667 -6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 38 98.032 8.451 -9.441 1.00 0.00 H new ATOM 0 HG3 PRO A 38 98.323 9.876 -8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 38 100.335 8.722 -9.893 1.00 0.00 H new ATOM 0 HD3 PRO A 38 100.655 9.489 -8.349 1.00 0.00 H new ATOM 610 N ASP A 39 98.674 5.399 -9.141 1.00 0.00 N ATOM 611 CA ASP A 39 98.098 4.193 -9.741 1.00 0.00 C ATOM 612 C ASP A 39 98.896 2.947 -9.354 1.00 0.00 C ATOM 613 O ASP A 39 98.314 1.887 -9.105 1.00 0.00 O ATOM 614 CB ASP A 39 98.074 4.328 -11.264 1.00 0.00 C ATOM 615 CG ASP A 39 97.254 5.551 -11.664 1.00 0.00 C ATOM 616 OD1 ASP A 39 96.128 5.662 -11.206 1.00 0.00 O ATOM 617 OD2 ASP A 39 97.766 6.360 -12.420 1.00 0.00 O ATOM 0 H ASP A 39 99.051 6.064 -9.816 1.00 0.00 H new ATOM 0 HA ASP A 39 97.081 4.084 -9.364 1.00 0.00 H new ATOM 0 HB2 ASP A 39 99.091 4.420 -11.646 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.646 3.430 -11.711 1.00 0.00 H new ATOM 622 N GLN A 40 100.225 3.077 -9.324 1.00 0.00 N ATOM 623 CA GLN A 40 101.096 1.945 -8.985 1.00 0.00 C ATOM 624 C GLN A 40 101.185 1.722 -7.465 1.00 0.00 C ATOM 625 O GLN A 40 101.819 0.765 -7.016 1.00 0.00 O ATOM 626 CB GLN A 40 102.503 2.185 -9.546 1.00 0.00 C ATOM 627 CG GLN A 40 103.278 0.860 -9.593 1.00 0.00 C ATOM 628 CD GLN A 40 104.637 1.046 -10.265 1.00 0.00 C ATOM 629 OE1 GLN A 40 104.845 1.994 -11.028 1.00 0.00 O ATOM 630 NE2 GLN A 40 105.582 0.182 -10.031 1.00 0.00 N ATOM 0 H GLN A 40 100.719 3.946 -9.528 1.00 0.00 H new ATOM 0 HA GLN A 40 100.660 1.051 -9.431 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.437 2.614 -10.546 1.00 0.00 H new ATOM 0 HB3 GLN A 40 103.034 2.906 -8.924 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.417 0.480 -8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 40 102.698 0.114 -10.137 1.00 0.00 H new ATOM 0 HE21 GLN A 40 105.412 -0.602 -9.401 1.00 0.00 H new ATOM 0 HE22 GLN A 40 106.493 0.289 -10.478 1.00 0.00 H new ATOM 639 N GLN A 41 100.554 2.605 -6.680 1.00 0.00 N ATOM 640 CA GLN A 41 100.581 2.486 -5.225 1.00 0.00 C ATOM 641 C GLN A 41 99.194 2.195 -4.668 1.00 0.00 C ATOM 642 O GLN A 41 98.226 2.888 -4.985 1.00 0.00 O ATOM 643 CB GLN A 41 101.114 3.776 -4.608 1.00 0.00 C ATOM 644 CG GLN A 41 102.593 3.930 -4.958 1.00 0.00 C ATOM 645 CD GLN A 41 103.117 5.258 -4.427 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.633 6.319 -4.822 1.00 0.00 O ATOM 647 NE2 GLN A 41 104.081 5.262 -3.549 1.00 0.00 N ATOM 0 H GLN A 41 100.023 3.403 -7.029 1.00 0.00 H new ATOM 0 HA GLN A 41 101.237 1.654 -4.969 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.550 4.631 -4.980 1.00 0.00 H new ATOM 0 HB3 GLN A 41 100.985 3.755 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 41 103.164 3.106 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.727 3.883 -6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.479 4.381 -3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.437 6.146 -3.187 1.00 0.00 H new ATOM 656 N ARG A 42 99.126 1.173 -3.819 1.00 0.00 N ATOM 657 CA ARG A 42 97.880 0.781 -3.177 1.00 0.00 C ATOM 658 C ARG A 42 98.075 0.766 -1.671 1.00 0.00 C ATOM 659 O ARG A 42 99.058 0.206 -1.180 1.00 0.00 O ATOM 660 CB ARG A 42 97.455 -0.609 -3.651 1.00 0.00 C ATOM 661 CG ARG A 42 96.892 -0.519 -5.066 1.00 0.00 C ATOM 662 CD ARG A 42 96.471 -1.909 -5.536 1.00 0.00 C ATOM 663 NE ARG A 42 95.805 -1.808 -6.838 1.00 0.00 N ATOM 664 CZ ARG A 42 95.105 -2.819 -7.382 1.00 0.00 C ATOM 665 NH1 ARG A 42 94.967 -3.972 -6.770 1.00 0.00 N ATOM 666 NH2 ARG A 42 94.547 -2.648 -8.549 1.00 0.00 N ATOM 0 H ARG A 42 99.928 0.599 -3.560 1.00 0.00 H new ATOM 0 HA ARG A 42 97.102 1.497 -3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.308 -1.287 -3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.705 -1.020 -2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.038 0.158 -5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 42 97.642 -0.107 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 42 97.344 -2.558 -5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 42 95.799 -2.362 -4.807 1.00 0.00 H new ATOM 0 HE ARG A 42 95.876 -0.931 -7.355 1.00 0.00 H new ATOM 0 HH11 ARG A 42 95.397 -4.119 -5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 42 94.430 -4.721 -7.208 1.00 0.00 H new ATOM 0 HH21 ARG A 42 94.645 -1.757 -9.036 1.00 0.00 H new ATOM 0 HH22 ARG A 42 94.013 -3.405 -8.975 1.00 0.00 H new ATOM 680 N LEU A 43 97.154 1.400 -0.945 1.00 0.00 N ATOM 681 CA LEU A 43 97.250 1.474 0.509 1.00 0.00 C ATOM 682 C LEU A 43 96.206 0.588 1.175 1.00 0.00 C ATOM 683 O LEU A 43 95.025 0.618 0.814 1.00 0.00 O ATOM 684 CB LEU A 43 97.042 2.923 0.958 1.00 0.00 C ATOM 685 CG LEU A 43 98.298 3.754 0.660 1.00 0.00 C ATOM 686 CD1 LEU A 43 97.950 5.245 0.699 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.367 3.464 1.719 1.00 0.00 C ATOM 0 H LEU A 43 96.338 1.867 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 43 98.239 1.124 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 43 96.182 3.352 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 43 96.822 2.953 2.025 1.00 0.00 H new ATOM 0 HG LEU A 43 98.675 3.490 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.843 5.833 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 43 97.188 5.460 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.571 5.504 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 43 100.259 4.054 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 43 98.983 3.727 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.620 2.404 1.699 1.00 0.00 H new ATOM 699 N ILE A 44 96.654 -0.175 2.173 1.00 0.00 N ATOM 700 CA ILE A 44 95.771 -1.053 2.932 1.00 0.00 C ATOM 701 C ILE A 44 95.839 -0.679 4.402 1.00 0.00 C ATOM 702 O ILE A 44 96.913 -0.396 4.944 1.00 0.00 O ATOM 703 CB ILE A 44 96.132 -2.540 2.728 1.00 0.00 C ATOM 704 CG1 ILE A 44 95.913 -2.894 1.245 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.232 -3.435 3.617 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.384 -4.324 0.960 1.00 0.00 C ATOM 0 H ILE A 44 97.628 -0.200 2.473 1.00 0.00 H new ATOM 0 HA ILE A 44 94.752 -0.921 2.568 1.00 0.00 H new ATOM 0 HB ILE A 44 97.172 -2.709 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 44 94.857 -2.796 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.458 -2.193 0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.496 -4.482 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.379 -3.172 4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.187 -3.281 3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.222 -4.558 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.446 -4.410 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 44 95.820 -5.023 1.578 1.00 0.00 H new ATOM 718 N PHE A 45 94.674 -0.704 5.027 1.00 0.00 N ATOM 719 CA PHE A 45 94.556 -0.383 6.440 1.00 0.00 C ATOM 720 C PHE A 45 93.571 -1.333 7.107 1.00 0.00 C ATOM 721 O PHE A 45 92.407 -1.404 6.723 1.00 0.00 O ATOM 722 CB PHE A 45 94.085 1.069 6.602 1.00 0.00 C ATOM 723 CG PHE A 45 94.049 1.457 8.070 1.00 0.00 C ATOM 724 CD1 PHE A 45 92.821 1.651 8.716 1.00 0.00 C ATOM 725 CD2 PHE A 45 95.244 1.617 8.781 1.00 0.00 C ATOM 726 CE1 PHE A 45 92.789 2.008 10.068 1.00 0.00 C ATOM 727 CE2 PHE A 45 95.211 1.975 10.135 1.00 0.00 C ATOM 728 CZ PHE A 45 93.984 2.170 10.778 1.00 0.00 C ATOM 0 H PHE A 45 93.792 -0.945 4.575 1.00 0.00 H new ATOM 0 HA PHE A 45 95.529 -0.496 6.918 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.754 1.737 6.060 1.00 0.00 H new ATOM 0 HB3 PHE A 45 93.094 1.187 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 45 91.898 1.525 8.169 1.00 0.00 H new ATOM 0 HD2 PHE A 45 96.192 1.464 8.286 1.00 0.00 H new ATOM 0 HE1 PHE A 45 91.842 2.159 10.564 1.00 0.00 H new ATOM 0 HE2 PHE A 45 96.133 2.101 10.683 1.00 0.00 H new ATOM 0 HZ PHE A 45 93.959 2.445 11.822 1.00 0.00 H new ATOM 738 N ALA A 46 94.061 -2.052 8.115 1.00 0.00 N ATOM 739 CA ALA A 46 93.240 -3.009 8.870 1.00 0.00 C ATOM 740 C ALA A 46 92.892 -4.248 8.030 1.00 0.00 C ATOM 741 O ALA A 46 91.910 -4.939 8.313 1.00 0.00 O ATOM 742 CB ALA A 46 91.947 -2.337 9.363 1.00 0.00 C ATOM 0 H ALA A 46 95.028 -1.992 8.433 1.00 0.00 H new ATOM 0 HA ALA A 46 93.829 -3.335 9.727 1.00 0.00 H new ATOM 0 HB1 ALA A 46 91.351 -3.060 9.920 1.00 0.00 H new ATOM 0 HB2 ALA A 46 92.198 -1.497 10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.375 -1.977 8.508 1.00 0.00 H new ATOM 748 N GLY A 47 93.718 -4.538 7.016 1.00 0.00 N ATOM 749 CA GLY A 47 93.503 -5.712 6.160 1.00 0.00 C ATOM 750 C GLY A 47 92.489 -5.454 5.038 1.00 0.00 C ATOM 751 O GLY A 47 91.957 -6.404 4.460 1.00 0.00 O ATOM 0 H GLY A 47 94.536 -3.980 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.454 -6.015 5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.156 -6.544 6.773 1.00 0.00 H new ATOM 755 N LYS A 48 92.229 -4.180 4.731 1.00 0.00 N ATOM 756 CA LYS A 48 91.278 -3.821 3.670 1.00 0.00 C ATOM 757 C LYS A 48 91.817 -2.665 2.833 1.00 0.00 C ATOM 758 O LYS A 48 92.559 -1.816 3.340 1.00 0.00 O ATOM 759 CB LYS A 48 89.914 -3.434 4.265 1.00 0.00 C ATOM 760 CG LYS A 48 90.082 -2.325 5.311 1.00 0.00 C ATOM 761 CD LYS A 48 88.711 -1.873 5.816 1.00 0.00 C ATOM 762 CE LYS A 48 88.893 -0.791 6.882 1.00 0.00 C ATOM 763 NZ LYS A 48 87.560 -0.327 7.359 1.00 0.00 N ATOM 0 H LYS A 48 92.660 -3.382 5.198 1.00 0.00 H new ATOM 0 HA LYS A 48 91.149 -4.694 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 48 89.247 -3.097 3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.449 -4.307 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 48 90.685 -2.687 6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.615 -1.480 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 48 88.116 -1.487 4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.167 -2.721 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.472 -1.184 7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 48 89.455 0.048 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 87.687 0.408 8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 87.022 0.064 6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 87.039 -1.129 7.768 1.00 0.00 H new ATOM 777 N GLN A 49 91.428 -2.627 1.558 1.00 0.00 N ATOM 778 CA GLN A 49 91.869 -1.562 0.660 1.00 0.00 C ATOM 779 C GLN A 49 91.170 -0.252 0.986 1.00 0.00 C ATOM 780 O GLN A 49 90.109 -0.239 1.611 1.00 0.00 O ATOM 781 CB GLN A 49 91.574 -1.950 -0.803 1.00 0.00 C ATOM 782 CG GLN A 49 92.881 -2.278 -1.525 1.00 0.00 C ATOM 783 CD GLN A 49 93.676 -0.994 -1.753 1.00 0.00 C ATOM 784 OE1 GLN A 49 93.157 -0.034 -2.319 1.00 0.00 O ATOM 785 NE2 GLN A 49 94.912 -0.920 -1.341 1.00 0.00 N ATOM 0 H GLN A 49 90.813 -3.317 1.127 1.00 0.00 H new ATOM 0 HA GLN A 49 92.942 -1.428 0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 49 90.905 -2.810 -0.833 1.00 0.00 H new ATOM 0 HB3 GLN A 49 91.063 -1.131 -1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 49 93.468 -2.981 -0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 49 92.670 -2.761 -2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 49 95.342 -1.717 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 49 95.448 -0.065 -1.488 1.00 0.00 H new ATOM 794 N LEU A 50 91.781 0.843 0.536 1.00 0.00 N ATOM 795 CA LEU A 50 91.228 2.171 0.760 1.00 0.00 C ATOM 796 C LEU A 50 90.645 2.721 -0.535 1.00 0.00 C ATOM 797 O LEU A 50 91.351 2.866 -1.535 1.00 0.00 O ATOM 798 CB LEU A 50 92.326 3.101 1.279 1.00 0.00 C ATOM 799 CG LEU A 50 92.775 2.650 2.676 1.00 0.00 C ATOM 800 CD1 LEU A 50 94.088 3.348 3.039 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.706 3.020 3.714 1.00 0.00 C ATOM 0 H LEU A 50 92.658 0.833 0.015 1.00 0.00 H new ATOM 0 HA LEU A 50 90.431 2.108 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.174 3.094 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 50 91.958 4.126 1.319 1.00 0.00 H new ATOM 0 HG LEU A 50 92.918 1.569 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.408 3.029 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 50 94.854 3.086 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.939 4.428 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 50 92.032 2.697 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.559 4.100 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 50 90.768 2.526 3.462 1.00 0.00 H new ATOM 813 N GLU A 51 89.350 3.019 -0.497 1.00 0.00 N ATOM 814 CA GLU A 51 88.647 3.548 -1.661 1.00 0.00 C ATOM 815 C GLU A 51 89.106 4.971 -1.958 1.00 0.00 C ATOM 816 O GLU A 51 88.990 5.862 -1.113 1.00 0.00 O ATOM 817 CB GLU A 51 87.137 3.538 -1.408 1.00 0.00 C ATOM 818 CG GLU A 51 86.389 3.664 -2.743 1.00 0.00 C ATOM 819 CD GLU A 51 86.544 2.381 -3.570 1.00 0.00 C ATOM 820 OE1 GLU A 51 86.459 2.476 -4.783 1.00 0.00 O ATOM 821 OE2 GLU A 51 86.716 1.318 -2.985 1.00 0.00 O ATOM 0 H GLU A 51 88.764 2.903 0.330 1.00 0.00 H new ATOM 0 HA GLU A 51 88.874 2.917 -2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 51 86.849 2.615 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 51 86.863 4.361 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 51 85.333 3.859 -2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 51 86.776 4.514 -3.304 1.00 0.00 H new ATOM 828 N ASP A 52 89.637 5.162 -3.162 1.00 0.00 N ATOM 829 CA ASP A 52 90.135 6.470 -3.588 1.00 0.00 C ATOM 830 C ASP A 52 89.026 7.526 -3.597 1.00 0.00 C ATOM 831 O ASP A 52 89.306 8.722 -3.478 1.00 0.00 O ATOM 832 CB ASP A 52 90.747 6.363 -4.987 1.00 0.00 C ATOM 833 CG ASP A 52 89.729 5.803 -5.977 1.00 0.00 C ATOM 834 OD1 ASP A 52 89.201 4.735 -5.719 1.00 0.00 O ATOM 835 OD2 ASP A 52 89.488 6.456 -6.980 1.00 0.00 O ATOM 0 H ASP A 52 89.735 4.427 -3.863 1.00 0.00 H new ATOM 0 HA ASP A 52 90.894 6.783 -2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 52 91.083 7.345 -5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 52 91.626 5.719 -4.957 1.00 0.00 H new ATOM 840 N GLY A 53 87.779 7.076 -3.748 1.00 0.00 N ATOM 841 CA GLY A 53 86.628 7.981 -3.787 1.00 0.00 C ATOM 842 C GLY A 53 86.036 8.258 -2.398 1.00 0.00 C ATOM 843 O GLY A 53 84.977 8.885 -2.294 1.00 0.00 O ATOM 0 H GLY A 53 87.540 6.089 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.930 8.924 -4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.856 7.551 -4.426 1.00 0.00 H new ATOM 847 N ARG A 54 86.715 7.794 -1.343 1.00 0.00 N ATOM 848 CA ARG A 54 86.246 8.007 0.025 1.00 0.00 C ATOM 849 C ARG A 54 87.233 8.867 0.798 1.00 0.00 C ATOM 850 O ARG A 54 88.294 9.228 0.280 1.00 0.00 O ATOM 851 CB ARG A 54 86.056 6.673 0.741 1.00 0.00 C ATOM 852 CG ARG A 54 84.882 5.926 0.112 1.00 0.00 C ATOM 853 CD ARG A 54 84.623 4.632 0.883 1.00 0.00 C ATOM 854 NE ARG A 54 83.916 4.925 2.135 1.00 0.00 N ATOM 855 CZ ARG A 54 83.606 3.975 3.036 1.00 0.00 C ATOM 856 NH1 ARG A 54 83.928 2.717 2.846 1.00 0.00 N ATOM 857 NH2 ARG A 54 82.968 4.314 4.121 1.00 0.00 N ATOM 0 H ARG A 54 87.588 7.271 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 54 85.287 8.522 -0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 54 86.964 6.075 0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 54 85.870 6.840 1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.991 6.553 0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.099 5.701 -0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 54 84.032 3.948 0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 54 85.567 4.132 1.098 1.00 0.00 H new ATOM 0 HE ARG A 54 83.648 5.890 2.331 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.425 2.440 1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 54 83.681 2.016 3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 54 82.711 5.288 4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 54 82.726 3.605 4.813 1.00 0.00 H new ATOM 871 N THR A 55 86.866 9.200 2.036 1.00 0.00 N ATOM 872 CA THR A 55 87.715 10.034 2.887 1.00 0.00 C ATOM 873 C THR A 55 88.266 9.237 4.063 1.00 0.00 C ATOM 874 O THR A 55 87.761 8.162 4.389 1.00 0.00 O ATOM 875 CB THR A 55 86.926 11.241 3.407 1.00 0.00 C ATOM 876 OG1 THR A 55 85.696 10.798 3.963 1.00 0.00 O ATOM 877 CG2 THR A 55 86.649 12.216 2.257 1.00 0.00 C ATOM 0 H THR A 55 85.991 8.907 2.470 1.00 0.00 H new ATOM 0 HA THR A 55 88.552 10.383 2.283 1.00 0.00 H new ATOM 0 HB THR A 55 87.510 11.750 4.174 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.235 10.220 3.319 1.00 0.00 H new ATOM 0 HG21 THR A 55 86.088 13.072 2.633 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.594 12.558 1.835 1.00 0.00 H new ATOM 0 HG23 THR A 55 86.068 11.712 1.485 1.00 0.00 H new ATOM 885 N LEU A 56 89.320 9.774 4.673 1.00 0.00 N ATOM 886 CA LEU A 56 89.978 9.122 5.801 1.00 0.00 C ATOM 887 C LEU A 56 89.029 8.969 6.985 1.00 0.00 C ATOM 888 O LEU A 56 89.022 7.928 7.645 1.00 0.00 O ATOM 889 CB LEU A 56 91.204 9.937 6.230 1.00 0.00 C ATOM 890 CG LEU A 56 92.288 9.867 5.143 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.349 10.937 5.411 1.00 0.00 C ATOM 892 CD2 LEU A 56 92.960 8.487 5.156 1.00 0.00 C ATOM 0 H LEU A 56 89.738 10.664 4.403 1.00 0.00 H new ATOM 0 HA LEU A 56 90.288 8.127 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 56 90.919 10.974 6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.596 9.552 7.171 1.00 0.00 H new ATOM 0 HG LEU A 56 91.824 10.035 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.118 10.888 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 56 92.884 11.923 5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.802 10.764 6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.726 8.448 4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.419 8.315 6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.213 7.717 4.966 1.00 0.00 H new ATOM 904 N SER A 57 88.229 10.004 7.246 1.00 0.00 N ATOM 905 CA SER A 57 87.274 9.967 8.356 1.00 0.00 C ATOM 906 C SER A 57 86.313 8.785 8.213 1.00 0.00 C ATOM 907 O SER A 57 85.855 8.227 9.213 1.00 0.00 O ATOM 908 CB SER A 57 86.469 11.266 8.410 1.00 0.00 C ATOM 909 OG SER A 57 87.304 12.316 8.880 1.00 0.00 O ATOM 0 H SER A 57 88.222 10.871 6.709 1.00 0.00 H new ATOM 0 HA SER A 57 87.842 9.851 9.279 1.00 0.00 H new ATOM 0 HB2 SER A 57 86.082 11.509 7.420 1.00 0.00 H new ATOM 0 HB3 SER A 57 85.609 11.147 9.069 1.00 0.00 H new ATOM 0 HG SER A 57 86.792 13.151 8.914 1.00 0.00 H new ATOM 915 N ASP A 58 86.026 8.414 6.964 1.00 0.00 N ATOM 916 CA ASP A 58 85.126 7.296 6.682 1.00 0.00 C ATOM 917 C ASP A 58 85.769 5.942 7.001 1.00 0.00 C ATOM 918 O ASP A 58 85.096 4.908 6.938 1.00 0.00 O ATOM 919 CB ASP A 58 84.712 7.333 5.206 1.00 0.00 C ATOM 920 CG ASP A 58 83.836 8.562 4.933 1.00 0.00 C ATOM 921 OD1 ASP A 58 83.881 9.051 3.818 1.00 0.00 O ATOM 922 OD2 ASP A 58 83.118 8.984 5.830 1.00 0.00 O ATOM 0 H ASP A 58 86.403 8.871 6.134 1.00 0.00 H new ATOM 0 HA ASP A 58 84.252 7.405 7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 58 85.599 7.361 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 58 84.167 6.424 4.951 1.00 0.00 H new ATOM 927 N TYR A 59 87.066 5.948 7.331 1.00 0.00 N ATOM 928 CA TYR A 59 87.782 4.714 7.646 1.00 0.00 C ATOM 929 C TYR A 59 88.123 4.610 9.133 1.00 0.00 C ATOM 930 O TYR A 59 88.902 3.733 9.519 1.00 0.00 O ATOM 931 CB TYR A 59 89.072 4.632 6.828 1.00 0.00 C ATOM 932 CG TYR A 59 88.737 4.486 5.360 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.892 5.579 4.496 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.282 3.261 4.861 1.00 0.00 C ATOM 935 CE1 TYR A 59 88.585 5.447 3.139 1.00 0.00 C ATOM 936 CE2 TYR A 59 87.976 3.129 3.504 1.00 0.00 C ATOM 937 CZ TYR A 59 88.130 4.223 2.643 1.00 0.00 C ATOM 938 OH TYR A 59 87.827 4.099 1.306 1.00 0.00 O ATOM 0 H TYR A 59 87.636 6.792 7.386 1.00 0.00 H new ATOM 0 HA TYR A 59 87.121 3.885 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.672 5.528 6.987 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.671 3.784 7.160 1.00 0.00 H new ATOM 0 HD1 TYR A 59 89.249 6.524 4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.167 2.417 5.525 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.699 6.291 2.474 1.00 0.00 H new ATOM 0 HE2 TYR A 59 87.621 2.184 3.119 1.00 0.00 H new ATOM 0 HH TYR A 59 88.327 4.768 0.794 1.00 0.00 H new ATOM 948 N ASN A 60 87.554 5.492 9.972 1.00 0.00 N ATOM 949 CA ASN A 60 87.829 5.456 11.407 1.00 0.00 C ATOM 950 C ASN A 60 89.330 5.613 11.677 1.00 0.00 C ATOM 951 O ASN A 60 89.883 4.984 12.588 1.00 0.00 O ATOM 952 CB ASN A 60 87.305 4.143 12.007 1.00 0.00 C ATOM 953 CG ASN A 60 85.821 3.979 11.690 1.00 0.00 C ATOM 954 OD1 ASN A 60 85.426 3.012 11.040 1.00 0.00 O ATOM 955 ND2 ASN A 60 84.970 4.871 12.120 1.00 0.00 N ATOM 0 H ASN A 60 86.910 6.227 9.681 1.00 0.00 H new ATOM 0 HA ASN A 60 87.314 6.290 11.883 1.00 0.00 H new ATOM 0 HB2 ASN A 60 87.867 3.300 11.604 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.457 4.141 13.086 1.00 0.00 H new ATOM 0 HD21 ASN A 60 83.976 4.767 11.917 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.299 5.672 12.659 1.00 0.00 H new ATOM 962 N ILE A 61 89.976 6.471 10.882 1.00 0.00 N ATOM 963 CA ILE A 61 91.408 6.728 11.036 1.00 0.00 C ATOM 964 C ILE A 61 91.591 7.923 11.967 1.00 0.00 C ATOM 965 O ILE A 61 91.014 8.990 11.739 1.00 0.00 O ATOM 966 CB ILE A 61 92.055 7.017 9.666 1.00 0.00 C ATOM 967 CG1 ILE A 61 91.851 5.811 8.732 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.564 7.263 9.845 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.154 6.213 7.283 1.00 0.00 C ATOM 0 H ILE A 61 89.531 6.996 10.129 1.00 0.00 H new ATOM 0 HA ILE A 61 91.894 5.849 11.460 1.00 0.00 H new ATOM 0 HB ILE A 61 91.588 7.901 9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.503 4.992 9.035 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.826 5.449 8.811 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.017 7.467 8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.718 8.118 10.504 1.00 0.00 H new ATOM 0 HG23 ILE A 61 94.027 6.379 10.283 1.00 0.00 H new ATOM 0 HD11 ILE A 61 92.007 5.354 6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.484 7.018 6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.187 6.554 7.208 1.00 0.00 H new ATOM 981 N GLN A 62 92.383 7.726 13.021 1.00 0.00 N ATOM 982 CA GLN A 62 92.625 8.780 14.001 1.00 0.00 C ATOM 983 C GLN A 62 94.037 9.351 13.851 1.00 0.00 C ATOM 984 O GLN A 62 94.754 9.023 12.907 1.00 0.00 O ATOM 985 CB GLN A 62 92.419 8.217 15.416 1.00 0.00 C ATOM 986 CG GLN A 62 90.953 7.814 15.609 1.00 0.00 C ATOM 987 CD GLN A 62 90.047 9.043 15.544 1.00 0.00 C ATOM 988 OE1 GLN A 62 90.318 10.052 16.196 1.00 0.00 O ATOM 989 NE2 GLN A 62 88.983 9.015 14.788 1.00 0.00 N ATOM 0 H GLN A 62 92.866 6.849 13.216 1.00 0.00 H new ATOM 0 HA GLN A 62 91.918 9.592 13.829 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.066 7.354 15.571 1.00 0.00 H new ATOM 0 HB3 GLN A 62 92.701 8.964 16.158 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.662 7.099 14.839 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.830 7.315 16.570 1.00 0.00 H new ATOM 0 HE21 GLN A 62 88.762 8.177 14.249 1.00 0.00 H new ATOM 0 HE22 GLN A 62 88.373 9.831 14.736 1.00 0.00 H new ATOM 998 N LYS A 63 94.413 10.206 14.797 1.00 0.00 N ATOM 999 CA LYS A 63 95.723 10.844 14.801 1.00 0.00 C ATOM 1000 C LYS A 63 96.830 9.809 14.912 1.00 0.00 C ATOM 1001 O LYS A 63 96.764 8.901 15.744 1.00 0.00 O ATOM 1002 CB LYS A 63 95.803 11.803 15.995 1.00 0.00 C ATOM 1003 CG LYS A 63 94.734 12.895 15.859 1.00 0.00 C ATOM 1004 CD LYS A 63 95.158 13.907 14.793 1.00 0.00 C ATOM 1005 CE LYS A 63 94.099 14.997 14.676 1.00 0.00 C ATOM 1006 NZ LYS A 63 94.519 15.990 13.649 1.00 0.00 N ATOM 0 H LYS A 63 93.818 10.475 15.581 1.00 0.00 H new ATOM 0 HA LYS A 63 95.853 11.388 13.865 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.658 11.253 16.925 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.794 12.255 16.044 1.00 0.00 H new ATOM 0 HG2 LYS A 63 93.777 12.448 15.589 1.00 0.00 H new ATOM 0 HG3 LYS A 63 94.592 13.399 16.815 1.00 0.00 H new ATOM 0 HD2 LYS A 63 96.120 14.347 15.056 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.288 13.407 13.833 1.00 0.00 H new ATOM 0 HE2 LYS A 63 93.139 14.559 14.402 1.00 0.00 H new ATOM 0 HE3 LYS A 63 93.961 15.490 15.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 94.238 16.944 13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 95.552 15.953 13.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 94.061 15.767 12.743 1.00 0.00 H new ATOM 1020 N GLU A 64 97.849 9.964 14.070 1.00 0.00 N ATOM 1021 CA GLU A 64 98.988 9.052 14.056 1.00 0.00 C ATOM 1022 C GLU A 64 98.527 7.614 13.834 1.00 0.00 C ATOM 1023 O GLU A 64 98.220 6.886 14.785 1.00 0.00 O ATOM 1024 CB GLU A 64 99.764 9.163 15.368 1.00 0.00 C ATOM 1025 CG GLU A 64 100.460 10.533 15.453 1.00 0.00 C ATOM 1026 CD GLU A 64 101.188 10.697 16.801 1.00 0.00 C ATOM 1027 OE1 GLU A 64 101.735 11.763 17.022 1.00 0.00 O ATOM 1028 OE2 GLU A 64 101.196 9.760 17.594 1.00 0.00 O ATOM 0 H GLU A 64 97.908 10.718 13.385 1.00 0.00 H new ATOM 0 HA GLU A 64 99.644 9.331 13.231 1.00 0.00 H new ATOM 0 HB2 GLU A 64 99.087 9.037 16.213 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.504 8.365 15.431 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.173 10.634 14.635 1.00 0.00 H new ATOM 0 HG3 GLU A 64 99.723 11.328 15.334 1.00 0.00 H new ATOM 1035 N SER A 65 98.493 7.213 12.562 1.00 0.00 N ATOM 1036 CA SER A 65 98.086 5.862 12.189 1.00 0.00 C ATOM 1037 C SER A 65 99.106 5.266 11.229 1.00 0.00 C ATOM 1038 O SER A 65 99.722 5.992 10.443 1.00 0.00 O ATOM 1039 CB SER A 65 96.707 5.900 11.526 1.00 0.00 C ATOM 1040 OG SER A 65 95.751 6.376 12.461 1.00 0.00 O ATOM 0 H SER A 65 98.744 7.808 11.773 1.00 0.00 H new ATOM 0 HA SER A 65 98.033 5.243 13.084 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.730 6.548 10.650 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.430 4.904 11.179 1.00 0.00 H new ATOM 0 HG SER A 65 95.626 7.340 12.339 1.00 0.00 H new ATOM 1046 N THR A 66 99.290 3.946 11.308 1.00 0.00 N ATOM 1047 CA THR A 66 100.254 3.266 10.447 1.00 0.00 C ATOM 1048 C THR A 66 99.554 2.585 9.277 1.00 0.00 C ATOM 1049 O THR A 66 98.839 1.596 9.458 1.00 0.00 O ATOM 1050 CB THR A 66 101.036 2.226 11.256 1.00 0.00 C ATOM 1051 OG1 THR A 66 101.513 2.825 12.454 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.223 1.720 10.433 1.00 0.00 C ATOM 0 H THR A 66 98.789 3.334 11.953 1.00 0.00 H new ATOM 0 HA THR A 66 100.943 4.012 10.051 1.00 0.00 H new ATOM 0 HB THR A 66 100.382 1.388 11.499 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.012 2.162 12.975 1.00 0.00 H new ATOM 0 HG21 THR A 66 102.777 0.980 11.011 1.00 0.00 H new ATOM 0 HG22 THR A 66 101.859 1.263 9.513 1.00 0.00 H new ATOM 0 HG23 THR A 66 102.879 2.556 10.189 1.00 0.00 H new ATOM 1060 N LEU A 67 99.773 3.129 8.082 1.00 0.00 N ATOM 1061 CA LEU A 67 99.176 2.585 6.867 1.00 0.00 C ATOM 1062 C LEU A 67 100.159 1.663 6.162 1.00 0.00 C ATOM 1063 O LEU A 67 101.376 1.844 6.266 1.00 0.00 O ATOM 1064 CB LEU A 67 98.790 3.726 5.920 1.00 0.00 C ATOM 1065 CG LEU A 67 97.651 4.556 6.530 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.539 5.891 5.790 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.325 3.801 6.395 1.00 0.00 C ATOM 0 H LEU A 67 100.361 3.948 7.930 1.00 0.00 H new ATOM 0 HA LEU A 67 98.286 2.019 7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.655 4.363 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.479 3.320 4.957 1.00 0.00 H new ATOM 0 HG LEU A 67 97.865 4.731 7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.731 6.480 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.477 6.438 5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.330 5.706 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.522 4.396 6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.114 3.622 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.394 2.847 6.918 1.00 0.00 H new ATOM 1079 N HIS A 68 99.620 0.680 5.441 1.00 0.00 N ATOM 1080 CA HIS A 68 100.450 -0.269 4.703 1.00 0.00 C ATOM 1081 C HIS A 68 100.463 0.089 3.226 1.00 0.00 C ATOM 1082 O HIS A 68 99.409 0.293 2.622 1.00 0.00 O ATOM 1083 CB HIS A 68 99.918 -1.691 4.883 1.00 0.00 C ATOM 1084 CG HIS A 68 100.096 -2.116 6.312 1.00 0.00 C ATOM 1085 ND1 HIS A 68 101.341 -2.410 6.843 1.00 0.00 N ATOM 1086 CD2 HIS A 68 99.199 -2.300 7.335 1.00 0.00 C ATOM 1087 CE1 HIS A 68 101.164 -2.752 8.130 1.00 0.00 C ATOM 1088 NE2 HIS A 68 99.877 -2.702 8.482 1.00 0.00 N ATOM 0 H HIS A 68 98.616 0.521 5.353 1.00 0.00 H new ATOM 0 HA HIS A 68 101.466 -0.219 5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 68 98.864 -1.734 4.609 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.448 -2.375 4.220 1.00 0.00 H new ATOM 0 HD2 HIS A 68 98.131 -2.155 7.261 1.00 0.00 H new ATOM 0 HE1 HIS A 68 101.965 -3.033 8.798 1.00 0.00 H new ATOM 0 HE2 HIS A 68 99.476 -2.913 9.396 1.00 0.00 H new ATOM 1096 N LEU A 69 101.665 0.168 2.656 1.00 0.00 N ATOM 1097 CA LEU A 69 101.819 0.505 1.247 1.00 0.00 C ATOM 1098 C LEU A 69 102.284 -0.711 0.463 1.00 0.00 C ATOM 1099 O LEU A 69 103.202 -1.413 0.884 1.00 0.00 O ATOM 1100 CB LEU A 69 102.842 1.634 1.072 1.00 0.00 C ATOM 1101 CG LEU A 69 102.820 2.136 -0.381 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.582 3.005 -0.605 1.00 0.00 C ATOM 1103 CD2 LEU A 69 104.079 2.958 -0.670 1.00 0.00 C ATOM 0 H LEU A 69 102.542 0.003 3.149 1.00 0.00 H new ATOM 0 HA LEU A 69 100.851 0.835 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.613 2.454 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 69 103.839 1.276 1.328 1.00 0.00 H new ATOM 0 HG LEU A 69 102.790 1.278 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.568 3.360 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.685 2.417 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.609 3.859 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.055 3.310 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.118 3.814 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 69 104.962 2.337 -0.519 1.00 0.00 H new ATOM 1115 N VAL A 70 101.654 -0.933 -0.685 1.00 0.00 N ATOM 1116 CA VAL A 70 102.004 -2.046 -1.559 1.00 0.00 C ATOM 1117 C VAL A 70 102.210 -1.487 -2.963 1.00 0.00 C ATOM 1118 O VAL A 70 101.597 -0.475 -3.315 1.00 0.00 O ATOM 1119 CB VAL A 70 100.877 -3.100 -1.568 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.298 -4.308 -2.414 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.578 -3.569 -0.134 1.00 0.00 C ATOM 0 H VAL A 70 100.892 -0.351 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 70 102.913 -2.532 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 70 99.982 -2.648 -1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.497 -5.048 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.496 -3.985 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.200 -4.751 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 70 99.781 -4.313 -0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.476 -4.010 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.265 -2.717 0.470 1.00 0.00 H new ATOM 1131 N LEU A 71 103.065 -2.134 -3.757 1.00 0.00 N ATOM 1132 CA LEU A 71 103.326 -1.666 -5.119 1.00 0.00 C ATOM 1133 C LEU A 71 102.708 -2.618 -6.132 1.00 0.00 C ATOM 1134 O LEU A 71 102.991 -3.820 -6.118 1.00 0.00 O ATOM 1135 CB LEU A 71 104.835 -1.564 -5.366 1.00 0.00 C ATOM 1136 CG LEU A 71 105.096 -0.784 -6.666 1.00 0.00 C ATOM 1137 CD1 LEU A 71 104.918 0.718 -6.416 1.00 0.00 C ATOM 1138 CD2 LEU A 71 106.526 -1.048 -7.149 1.00 0.00 C ATOM 0 H LEU A 71 103.581 -2.971 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 71 102.877 -0.680 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.318 -1.063 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.270 -2.561 -5.435 1.00 0.00 H new ATOM 0 HG LEU A 71 104.387 -1.113 -7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.104 1.265 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 71 103.900 0.912 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.623 1.046 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 71 106.707 -0.494 -8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.233 -0.724 -6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 71 106.656 -2.114 -7.335 1.00 0.00 H new ATOM 1150 N ARG A 72 101.872 -2.070 -7.014 1.00 0.00 N ATOM 1151 CA ARG A 72 101.220 -2.868 -8.042 1.00 0.00 C ATOM 1152 C ARG A 72 102.041 -2.824 -9.333 1.00 0.00 C ATOM 1153 O ARG A 72 101.845 -1.944 -10.177 1.00 0.00 O ATOM 1154 CB ARG A 72 99.805 -2.335 -8.297 1.00 0.00 C ATOM 1155 CG ARG A 72 99.091 -3.238 -9.305 1.00 0.00 C ATOM 1156 CD ARG A 72 97.743 -2.630 -9.658 1.00 0.00 C ATOM 1157 NE ARG A 72 96.978 -3.553 -10.501 1.00 0.00 N ATOM 1158 CZ ARG A 72 95.935 -3.157 -11.252 1.00 0.00 C ATOM 1159 NH1 ARG A 72 95.541 -1.905 -11.277 1.00 0.00 N ATOM 1160 NH2 ARG A 72 95.301 -4.039 -11.974 1.00 0.00 N ATOM 0 H ARG A 72 101.633 -1.079 -7.034 1.00 0.00 H new ATOM 0 HA ARG A 72 101.151 -3.902 -7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 72 99.244 -2.301 -7.363 1.00 0.00 H new ATOM 0 HB3 ARG A 72 99.853 -1.315 -8.677 1.00 0.00 H new ATOM 0 HG2 ARG A 72 99.698 -3.351 -10.203 1.00 0.00 H new ATOM 0 HG3 ARG A 72 98.955 -4.235 -8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 72 97.185 -2.410 -8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 72 97.888 -1.684 -10.180 1.00 0.00 H new ATOM 0 HE ARG A 72 97.248 -4.537 -10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 72 96.029 -1.205 -10.718 1.00 0.00 H new ATOM 0 HH12 ARG A 72 94.747 -1.632 -11.856 1.00 0.00 H new ATOM 0 HH21 ARG A 72 95.598 -5.015 -11.964 1.00 0.00 H new ATOM 0 HH22 ARG A 72 94.508 -3.753 -12.548 1.00 0.00 H new ATOM 1174 N LEU A 73 102.953 -3.782 -9.475 1.00 0.00 N ATOM 1175 CA LEU A 73 103.802 -3.855 -10.651 1.00 0.00 C ATOM 1176 C LEU A 73 103.007 -4.370 -11.844 1.00 0.00 C ATOM 1177 O LEU A 73 102.160 -5.257 -11.700 1.00 0.00 O ATOM 1178 CB LEU A 73 104.995 -4.785 -10.375 1.00 0.00 C ATOM 1179 CG LEU A 73 105.989 -4.718 -11.538 1.00 0.00 C ATOM 1180 CD1 LEU A 73 106.748 -3.390 -11.496 1.00 0.00 C ATOM 1181 CD2 LEU A 73 106.986 -5.874 -11.438 1.00 0.00 C ATOM 0 H LEU A 73 103.120 -4.517 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 73 104.172 -2.856 -10.882 1.00 0.00 H new ATOM 0 HB2 LEU A 73 105.487 -4.493 -9.447 1.00 0.00 H new ATOM 0 HB3 LEU A 73 104.646 -5.809 -10.242 1.00 0.00 H new ATOM 0 HG LEU A 73 105.440 -4.793 -12.477 1.00 0.00 H new ATOM 0 HD11 LEU A 73 107.454 -3.348 -12.326 1.00 0.00 H new ATOM 0 HD12 LEU A 73 106.041 -2.564 -11.578 1.00 0.00 H new ATOM 0 HD13 LEU A 73 107.290 -3.311 -10.554 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.690 -5.820 -12.268 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.530 -5.805 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 73 106.449 -6.822 -11.478 1.00 0.00 H new ATOM 1193 N ARG A 74 103.302 -3.819 -13.019 1.00 0.00 N ATOM 1194 CA ARG A 74 102.631 -4.228 -14.245 1.00 0.00 C ATOM 1195 C ARG A 74 103.278 -5.488 -14.810 1.00 0.00 C ATOM 1196 O ARG A 74 104.490 -5.676 -14.697 1.00 0.00 O ATOM 1197 CB ARG A 74 102.695 -3.104 -15.281 1.00 0.00 C ATOM 1198 CG ARG A 74 101.815 -1.940 -14.824 1.00 0.00 C ATOM 1199 CD ARG A 74 101.893 -0.802 -15.844 1.00 0.00 C ATOM 1200 NE ARG A 74 101.071 0.329 -15.397 1.00 0.00 N ATOM 1201 CZ ARG A 74 99.748 0.410 -15.637 1.00 0.00 C ATOM 1202 NH1 ARG A 74 99.109 -0.528 -16.297 1.00 0.00 N ATOM 1203 NH2 ARG A 74 99.085 1.443 -15.198 1.00 0.00 N ATOM 0 H ARG A 74 104.002 -3.088 -13.145 1.00 0.00 H new ATOM 0 HA ARG A 74 101.587 -4.441 -14.013 1.00 0.00 H new ATOM 0 HB2 ARG A 74 103.724 -2.768 -15.406 1.00 0.00 H new ATOM 0 HB3 ARG A 74 102.359 -3.469 -16.251 1.00 0.00 H new ATOM 0 HG2 ARG A 74 100.783 -2.273 -14.715 1.00 0.00 H new ATOM 0 HG3 ARG A 74 102.141 -1.587 -13.846 1.00 0.00 H new ATOM 0 HD2 ARG A 74 102.928 -0.484 -15.968 1.00 0.00 H new ATOM 0 HD3 ARG A 74 101.548 -1.151 -16.817 1.00 0.00 H new ATOM 0 HE ARG A 74 101.521 1.086 -14.883 1.00 0.00 H new ATOM 0 HH11 ARG A 74 99.615 -1.344 -16.642 1.00 0.00 H new ATOM 0 HH12 ARG A 74 98.107 -0.441 -16.465 1.00 0.00 H new ATOM 0 HH21 ARG A 74 99.568 2.177 -14.680 1.00 0.00 H new ATOM 0 HH22 ARG A 74 98.083 1.517 -15.372 1.00 0.00 H new ATOM 1217 N GLY A 75 102.453 -6.350 -15.409 1.00 0.00 N ATOM 1218 CA GLY A 75 102.939 -7.601 -15.992 1.00 0.00 C ATOM 1219 C GLY A 75 102.682 -7.633 -17.493 1.00 0.00 C ATOM 1220 O GLY A 75 102.102 -8.589 -18.011 1.00 0.00 O ATOM 0 H GLY A 75 101.448 -6.204 -15.503 1.00 0.00 H new ATOM 0 HA2 GLY A 75 104.006 -7.707 -15.799 1.00 0.00 H new ATOM 0 HA3 GLY A 75 102.443 -8.447 -15.515 1.00 0.00 H new ATOM 1224 N GLY A 76 103.118 -6.575 -18.183 1.00 0.00 N ATOM 1225 CA GLY A 76 102.934 -6.476 -19.629 1.00 0.00 C ATOM 1226 C GLY A 76 104.073 -5.690 -20.271 1.00 0.00 C ATOM 1227 O GLY A 76 103.955 -4.480 -20.356 1.00 0.00 O ATOM 1228 OXT GLY A 76 105.045 -6.312 -20.666 1.00 0.00 O ATOM 0 H GLY A 76 103.599 -5.779 -17.763 1.00 0.00 H new ATOM 0 HA2 GLY A 76 102.887 -7.475 -20.063 1.00 0.00 H new ATOM 0 HA3 GLY A 76 101.983 -5.989 -19.846 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 117.545 -14.543 -6.631 1.00 0.00 N ATOM 1234 CA GLN B 198 116.994 -13.924 -5.394 1.00 0.00 C ATOM 1235 C GLN B 198 115.649 -13.280 -5.713 1.00 0.00 C ATOM 1236 O GLN B 198 115.592 -12.228 -6.356 1.00 0.00 O ATOM 1237 CB GLN B 198 117.978 -12.870 -4.867 1.00 0.00 C ATOM 1238 CG GLN B 198 119.246 -13.559 -4.347 1.00 0.00 C ATOM 1239 CD GLN B 198 120.256 -12.514 -3.873 1.00 0.00 C ATOM 1240 OE1 GLN B 198 120.755 -11.720 -4.671 1.00 0.00 O ATOM 1241 NE2 GLN B 198 120.595 -12.473 -2.611 1.00 0.00 N ATOM 0 HA GLN B 198 116.852 -14.686 -4.628 1.00 0.00 H new ATOM 0 HB2 GLN B 198 118.234 -12.168 -5.661 1.00 0.00 H new ATOM 0 HB3 GLN B 198 117.513 -12.292 -4.068 1.00 0.00 H new ATOM 0 HG2 GLN B 198 118.994 -14.230 -3.526 1.00 0.00 H new ATOM 0 HG3 GLN B 198 119.686 -14.170 -5.135 1.00 0.00 H new ATOM 0 HE21 GLN B 198 120.181 -13.131 -1.950 1.00 0.00 H new ATOM 0 HE22 GLN B 198 121.273 -11.783 -2.287 1.00 0.00 H new ATOM 1250 N VAL B 199 114.572 -13.927 -5.264 1.00 0.00 N ATOM 1251 CA VAL B 199 113.217 -13.424 -5.504 1.00 0.00 C ATOM 1252 C VAL B 199 112.778 -12.559 -4.323 1.00 0.00 C ATOM 1253 O VAL B 199 112.873 -12.980 -3.166 1.00 0.00 O ATOM 1254 CB VAL B 199 112.231 -14.596 -5.698 1.00 0.00 C ATOM 1255 CG1 VAL B 199 110.826 -14.065 -6.012 1.00 0.00 C ATOM 1256 CG2 VAL B 199 112.694 -15.485 -6.860 1.00 0.00 C ATOM 0 H VAL B 199 114.611 -14.798 -4.734 1.00 0.00 H new ATOM 0 HA VAL B 199 113.218 -12.823 -6.413 1.00 0.00 H new ATOM 0 HB VAL B 199 112.204 -15.176 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL B 199 110.142 -14.903 -6.146 1.00 0.00 H new ATOM 0 HG12 VAL B 199 110.480 -13.442 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL B 199 110.857 -13.472 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL B 199 111.992 -16.309 -6.990 1.00 0.00 H new ATOM 0 HG22 VAL B 199 112.734 -14.895 -7.776 1.00 0.00 H new ATOM 0 HG23 VAL B 199 113.685 -15.883 -6.641 1.00 0.00 H new ATOM 1266 N THR B 200 112.296 -11.357 -4.633 1.00 0.00 N ATOM 1267 CA THR B 200 111.834 -10.426 -3.610 1.00 0.00 C ATOM 1268 C THR B 200 110.548 -10.935 -2.971 1.00 0.00 C ATOM 1269 O THR B 200 109.656 -11.433 -3.663 1.00 0.00 O ATOM 1270 CB THR B 200 111.595 -9.045 -4.229 1.00 0.00 C ATOM 1271 OG1 THR B 200 112.728 -8.675 -5.000 1.00 0.00 O ATOM 1272 CG2 THR B 200 111.368 -8.007 -3.125 1.00 0.00 C ATOM 0 H THR B 200 112.216 -11.006 -5.587 1.00 0.00 H new ATOM 0 HA THR B 200 112.601 -10.346 -2.840 1.00 0.00 H new ATOM 0 HB THR B 200 110.712 -9.085 -4.866 1.00 0.00 H new ATOM 0 HG1 THR B 200 112.578 -7.793 -5.399 1.00 0.00 H new ATOM 0 HG21 THR B 200 111.199 -7.029 -3.575 1.00 0.00 H new ATOM 0 HG22 THR B 200 110.497 -8.290 -2.533 1.00 0.00 H new ATOM 0 HG23 THR B 200 112.246 -7.963 -2.481 1.00 0.00 H new ATOM 1280 N LYS B 201 110.463 -10.799 -1.648 1.00 0.00 N ATOM 1281 CA LYS B 201 109.284 -11.234 -0.906 1.00 0.00 C ATOM 1282 C LYS B 201 108.783 -10.117 -0.003 1.00 0.00 C ATOM 1283 O LYS B 201 109.571 -9.350 0.555 1.00 0.00 O ATOM 1284 CB LYS B 201 109.618 -12.477 -0.078 1.00 0.00 C ATOM 1285 CG LYS B 201 109.837 -13.667 -1.016 1.00 0.00 C ATOM 1286 CD LYS B 201 110.241 -14.895 -0.203 1.00 0.00 C ATOM 1287 CE LYS B 201 110.454 -16.082 -1.144 1.00 0.00 C ATOM 1288 NZ LYS B 201 110.880 -17.269 -0.351 1.00 0.00 N ATOM 0 H LYS B 201 111.197 -10.391 -1.070 1.00 0.00 H new ATOM 0 HA LYS B 201 108.495 -11.483 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.513 -12.301 0.519 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.808 -12.693 0.618 1.00 0.00 H new ATOM 0 HG2 LYS B 201 108.925 -13.874 -1.576 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.612 -13.430 -1.745 1.00 0.00 H new ATOM 0 HD2 LYS B 201 111.155 -14.691 0.355 1.00 0.00 H new ATOM 0 HD3 LYS B 201 109.468 -15.131 0.528 1.00 0.00 H new ATOM 0 HE2 LYS B 201 109.533 -16.303 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS B 201 111.210 -15.838 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 111.026 -18.078 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 111.769 -17.054 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 110.143 -17.504 0.345 1.00 0.00 H new ATOM 1302 N VAL B 202 107.462 -10.039 0.129 1.00 0.00 N ATOM 1303 CA VAL B 202 106.824 -9.022 0.963 1.00 0.00 C ATOM 1304 C VAL B 202 105.732 -9.646 1.822 1.00 0.00 C ATOM 1305 O VAL B 202 104.910 -10.423 1.327 1.00 0.00 O ATOM 1306 CB VAL B 202 106.234 -7.899 0.093 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.368 -7.153 -0.623 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.267 -8.481 -0.952 1.00 0.00 C ATOM 0 H VAL B 202 106.808 -10.671 -0.333 1.00 0.00 H new ATOM 0 HA VAL B 202 107.583 -8.593 1.617 1.00 0.00 H new ATOM 0 HB VAL B 202 105.687 -7.210 0.736 1.00 0.00 H new ATOM 0 HG11 VAL B 202 106.948 -6.358 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL B 202 108.043 -6.722 0.116 1.00 0.00 H new ATOM 0 HG13 VAL B 202 107.919 -7.849 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL B 202 104.858 -7.673 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL B 202 105.802 -9.182 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.454 -9.001 -0.446 1.00 0.00 H new ATOM 1318 N ASP B 203 105.744 -9.312 3.109 1.00 0.00 N ATOM 1319 CA ASP B 203 104.765 -9.845 4.053 1.00 0.00 C ATOM 1320 C ASP B 203 103.377 -9.277 3.770 1.00 0.00 C ATOM 1321 O ASP B 203 103.252 -8.123 3.352 1.00 0.00 O ATOM 1322 CB ASP B 203 105.180 -9.488 5.479 1.00 0.00 C ATOM 1323 CG ASP B 203 106.297 -10.413 5.949 1.00 0.00 C ATOM 1324 OD1 ASP B 203 107.266 -9.911 6.495 1.00 0.00 O ATOM 1325 OD2 ASP B 203 106.164 -11.612 5.765 1.00 0.00 O ATOM 0 H ASP B 203 106.422 -8.673 3.524 1.00 0.00 H new ATOM 0 HA ASP B 203 104.729 -10.928 3.939 1.00 0.00 H new ATOM 0 HB2 ASP B 203 105.515 -8.452 5.519 1.00 0.00 H new ATOM 0 HB3 ASP B 203 104.323 -9.572 6.147 1.00 0.00 H new ATOM 1330 N CYS B 204 102.337 -10.088 4.007 1.00 0.00 N ATOM 1331 CA CYS B 204 100.963 -9.631 3.778 1.00 0.00 C ATOM 1332 C CYS B 204 100.444 -8.860 5.015 1.00 0.00 C ATOM 1333 O CYS B 204 100.442 -9.414 6.107 1.00 0.00 O ATOM 1334 CB CYS B 204 100.028 -10.809 3.486 1.00 0.00 C ATOM 1335 SG CYS B 204 98.338 -10.205 3.208 1.00 0.00 S ATOM 0 H CYS B 204 102.419 -11.045 4.350 1.00 0.00 H new ATOM 0 HA CYS B 204 100.973 -8.971 2.911 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.378 -11.353 2.609 1.00 0.00 H new ATOM 0 HB3 CYS B 204 100.040 -11.509 4.321 1.00 0.00 H new ATOM 1340 N PRO B 205 100.002 -7.612 4.885 1.00 0.00 N ATOM 1341 CA PRO B 205 99.488 -6.822 6.057 1.00 0.00 C ATOM 1342 C PRO B 205 98.113 -7.311 6.549 1.00 0.00 C ATOM 1343 O PRO B 205 97.659 -6.933 7.631 1.00 0.00 O ATOM 1344 CB PRO B 205 99.390 -5.388 5.518 1.00 0.00 C ATOM 1345 CG PRO B 205 99.267 -5.510 4.034 1.00 0.00 C ATOM 1346 CD PRO B 205 99.931 -6.821 3.632 1.00 0.00 C ATOM 0 HA PRO B 205 100.144 -6.919 6.922 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.528 -4.872 5.939 1.00 0.00 H new ATOM 0 HB3 PRO B 205 100.272 -4.809 5.789 1.00 0.00 H new ATOM 0 HG2 PRO B 205 98.219 -5.501 3.733 1.00 0.00 H new ATOM 0 HG3 PRO B 205 99.748 -4.667 3.538 1.00 0.00 H new ATOM 0 HD2 PRO B 205 99.351 -7.340 2.869 1.00 0.00 H new ATOM 0 HD3 PRO B 205 100.924 -6.650 3.216 1.00 0.00 H new ATOM 1354 N VAL B 206 97.463 -8.128 5.724 1.00 0.00 N ATOM 1355 CA VAL B 206 96.129 -8.667 6.016 1.00 0.00 C ATOM 1356 C VAL B 206 96.195 -9.908 6.886 1.00 0.00 C ATOM 1357 O VAL B 206 95.477 -10.032 7.882 1.00 0.00 O ATOM 1358 CB VAL B 206 95.454 -9.109 4.700 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.993 -9.523 4.939 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.517 -8.005 3.642 1.00 0.00 C ATOM 0 H VAL B 206 97.844 -8.438 4.830 1.00 0.00 H new ATOM 0 HA VAL B 206 95.578 -7.878 6.528 1.00 0.00 H new ATOM 0 HB VAL B 206 96.006 -9.973 4.330 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.543 -9.829 3.995 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.961 -10.354 5.643 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.438 -8.679 5.349 1.00 0.00 H new ATOM 0 HG21 VAL B 206 95.033 -8.349 2.728 1.00 0.00 H new ATOM 0 HG22 VAL B 206 95.005 -7.117 4.012 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.558 -7.762 3.432 1.00 0.00 H new ATOM 1370 N CYS B 207 96.998 -10.858 6.428 1.00 0.00 N ATOM 1371 CA CYS B 207 97.105 -12.148 7.074 1.00 0.00 C ATOM 1372 C CYS B 207 98.521 -12.448 7.569 1.00 0.00 C ATOM 1373 O CYS B 207 98.739 -13.457 8.244 1.00 0.00 O ATOM 1374 CB CYS B 207 96.627 -13.195 6.055 1.00 0.00 C ATOM 1375 SG CYS B 207 97.897 -13.530 4.797 1.00 0.00 S ATOM 0 H CYS B 207 97.588 -10.752 5.603 1.00 0.00 H new ATOM 0 HA CYS B 207 96.487 -12.165 7.972 1.00 0.00 H new ATOM 0 HB2 CYS B 207 96.374 -14.120 6.574 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.717 -12.843 5.570 1.00 0.00 H new ATOM 1380 N GLY B 208 99.473 -11.576 7.230 1.00 0.00 N ATOM 1381 CA GLY B 208 100.855 -11.766 7.646 1.00 0.00 C ATOM 1382 C GLY B 208 101.384 -13.107 7.166 1.00 0.00 C ATOM 1383 O GLY B 208 101.547 -14.037 7.956 1.00 0.00 O ATOM 0 H GLY B 208 99.309 -10.738 6.672 1.00 0.00 H new ATOM 0 HA2 GLY B 208 101.473 -10.962 7.247 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.923 -11.711 8.732 1.00 0.00 H new ATOM 1387 N VAL B 209 101.642 -13.190 5.860 1.00 0.00 N ATOM 1388 CA VAL B 209 102.161 -14.408 5.254 1.00 0.00 C ATOM 1389 C VAL B 209 103.275 -14.048 4.273 1.00 0.00 C ATOM 1390 O VAL B 209 103.158 -13.077 3.519 1.00 0.00 O ATOM 1391 CB VAL B 209 101.022 -15.174 4.548 1.00 0.00 C ATOM 1392 CG1 VAL B 209 101.575 -16.353 3.729 1.00 0.00 C ATOM 1393 CG2 VAL B 209 100.057 -15.718 5.602 1.00 0.00 C ATOM 0 H VAL B 209 101.498 -12.423 5.203 1.00 0.00 H new ATOM 0 HA VAL B 209 102.573 -15.058 6.026 1.00 0.00 H new ATOM 0 HB VAL B 209 100.510 -14.487 3.874 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.752 -16.876 3.242 1.00 0.00 H new ATOM 0 HG12 VAL B 209 102.265 -15.979 2.973 1.00 0.00 H new ATOM 0 HG13 VAL B 209 102.101 -17.041 4.391 1.00 0.00 H new ATOM 0 HG21 VAL B 209 99.249 -16.261 5.110 1.00 0.00 H new ATOM 0 HG22 VAL B 209 100.592 -16.392 6.272 1.00 0.00 H new ATOM 0 HG23 VAL B 209 99.641 -14.890 6.176 1.00 0.00 H new ATOM 1403 N ASN B 210 104.336 -14.852 4.284 1.00 0.00 N ATOM 1404 CA ASN B 210 105.458 -14.633 3.385 1.00 0.00 C ATOM 1405 C ASN B 210 105.006 -14.932 1.969 1.00 0.00 C ATOM 1406 O ASN B 210 104.472 -16.014 1.700 1.00 0.00 O ATOM 1407 CB ASN B 210 106.625 -15.538 3.768 1.00 0.00 C ATOM 1408 CG ASN B 210 107.805 -15.281 2.843 1.00 0.00 C ATOM 1409 OD1 ASN B 210 108.288 -16.199 2.182 1.00 0.00 O ATOM 1410 ND2 ASN B 210 108.293 -14.077 2.752 1.00 0.00 N ATOM 0 H ASN B 210 104.439 -15.656 4.903 1.00 0.00 H new ATOM 0 HA ASN B 210 105.793 -13.598 3.456 1.00 0.00 H new ATOM 0 HB2 ASN B 210 106.916 -15.353 4.802 1.00 0.00 H new ATOM 0 HB3 ASN B 210 106.322 -16.583 3.704 1.00 0.00 H new ATOM 0 HD21 ASN B 210 109.080 -13.891 2.130 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.888 -13.320 3.303 1.00 0.00 H new ATOM 1417 N ILE B 211 105.214 -13.973 1.071 1.00 0.00 N ATOM 1418 CA ILE B 211 104.810 -14.148 -0.321 1.00 0.00 C ATOM 1419 C ILE B 211 105.718 -13.337 -1.265 1.00 0.00 C ATOM 1420 O ILE B 211 106.073 -12.206 -0.934 1.00 0.00 O ATOM 1421 CB ILE B 211 103.339 -13.707 -0.527 1.00 0.00 C ATOM 1422 CG1 ILE B 211 102.407 -14.499 0.417 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.907 -13.971 -1.986 1.00 0.00 C ATOM 1424 CD1 ILE B 211 101.002 -13.894 0.421 1.00 0.00 C ATOM 0 H ILE B 211 105.655 -13.077 1.278 1.00 0.00 H new ATOM 0 HA ILE B 211 104.905 -15.208 -0.557 1.00 0.00 H new ATOM 0 HB ILE B 211 103.266 -12.642 -0.306 1.00 0.00 H new ATOM 0 HG12 ILE B 211 102.359 -15.541 0.099 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.814 -14.492 1.428 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.872 -13.658 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.548 -13.407 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.996 -15.035 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE B 211 100.361 -14.466 1.092 1.00 0.00 H new ATOM 0 HD12 ILE B 211 101.052 -12.860 0.762 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.590 -13.924 -0.588 1.00 0.00 H new ATOM 1436 N PRO B 212 106.061 -13.860 -2.445 1.00 0.00 N ATOM 1437 CA PRO B 212 106.891 -13.109 -3.436 1.00 0.00 C ATOM 1438 C PRO B 212 106.186 -11.828 -3.876 1.00 0.00 C ATOM 1439 O PRO B 212 104.967 -11.706 -3.730 1.00 0.00 O ATOM 1440 CB PRO B 212 107.061 -14.080 -4.612 1.00 0.00 C ATOM 1441 CG PRO B 212 106.735 -15.428 -4.071 1.00 0.00 C ATOM 1442 CD PRO B 212 105.723 -15.208 -2.965 1.00 0.00 C ATOM 0 HA PRO B 212 107.849 -12.796 -3.022 1.00 0.00 H new ATOM 0 HB2 PRO B 212 106.397 -13.818 -5.436 1.00 0.00 H new ATOM 0 HB3 PRO B 212 108.079 -14.050 -5.001 1.00 0.00 H new ATOM 0 HG2 PRO B 212 106.326 -16.071 -4.850 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.629 -15.920 -3.688 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.701 -15.247 -3.343 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.805 -15.969 -2.189 1.00 0.00 H new ATOM 1450 N GLU B 213 106.960 -10.880 -4.405 1.00 0.00 N ATOM 1451 CA GLU B 213 106.404 -9.605 -4.864 1.00 0.00 C ATOM 1452 C GLU B 213 105.562 -9.798 -6.129 1.00 0.00 C ATOM 1453 O GLU B 213 104.626 -9.036 -6.378 1.00 0.00 O ATOM 1454 CB GLU B 213 107.532 -8.607 -5.136 1.00 0.00 C ATOM 1455 CG GLU B 213 106.936 -7.211 -5.383 1.00 0.00 C ATOM 1456 CD GLU B 213 108.035 -6.161 -5.602 1.00 0.00 C ATOM 1457 OE1 GLU B 213 109.162 -6.537 -5.894 1.00 0.00 O ATOM 1458 OE2 GLU B 213 107.730 -4.987 -5.461 1.00 0.00 O ATOM 0 H GLU B 213 107.969 -10.969 -4.526 1.00 0.00 H new ATOM 0 HA GLU B 213 105.758 -9.213 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.217 -8.577 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU B 213 108.112 -8.925 -6.003 1.00 0.00 H new ATOM 0 HG2 GLU B 213 106.282 -7.242 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU B 213 106.319 -6.922 -4.532 1.00 0.00 H new ATOM 1465 N SER B 214 105.907 -10.816 -6.921 1.00 0.00 N ATOM 1466 CA SER B 214 105.176 -11.113 -8.156 1.00 0.00 C ATOM 1467 C SER B 214 103.925 -11.960 -7.873 1.00 0.00 C ATOM 1468 O SER B 214 103.306 -12.485 -8.802 1.00 0.00 O ATOM 1469 CB SER B 214 106.090 -11.865 -9.121 1.00 0.00 C ATOM 1470 OG SER B 214 107.358 -11.222 -9.165 1.00 0.00 O ATOM 0 H SER B 214 106.685 -11.447 -6.730 1.00 0.00 H new ATOM 0 HA SER B 214 104.858 -10.169 -8.599 1.00 0.00 H new ATOM 0 HB2 SER B 214 106.205 -12.900 -8.799 1.00 0.00 H new ATOM 0 HB3 SER B 214 105.647 -11.888 -10.116 1.00 0.00 H new ATOM 0 HG SER B 214 107.948 -11.703 -9.782 1.00 0.00 H new ATOM 1476 N HIS B 215 103.561 -12.078 -6.590 1.00 0.00 N ATOM 1477 CA HIS B 215 102.387 -12.845 -6.181 1.00 0.00 C ATOM 1478 C HIS B 215 101.527 -12.078 -5.168 1.00 0.00 C ATOM 1479 O HIS B 215 100.444 -12.544 -4.804 1.00 0.00 O ATOM 1480 CB HIS B 215 102.838 -14.165 -5.551 1.00 0.00 C ATOM 1481 CG HIS B 215 103.211 -15.142 -6.629 1.00 0.00 C ATOM 1482 ND1 HIS B 215 104.493 -15.223 -7.148 1.00 0.00 N ATOM 1483 CD2 HIS B 215 102.472 -16.077 -7.306 1.00 0.00 C ATOM 1484 CE1 HIS B 215 104.486 -16.177 -8.095 1.00 0.00 C ATOM 1485 NE2 HIS B 215 103.278 -16.730 -8.231 1.00 0.00 N ATOM 0 H HIS B 215 104.068 -11.648 -5.817 1.00 0.00 H new ATOM 0 HA HIS B 215 101.783 -13.027 -7.070 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.690 -13.992 -4.893 1.00 0.00 H new ATOM 0 HB3 HIS B 215 102.038 -14.577 -4.935 1.00 0.00 H new ATOM 0 HD2 HIS B 215 101.423 -16.276 -7.145 1.00 0.00 H new ATOM 0 HE1 HIS B 215 105.351 -16.462 -8.675 1.00 0.00 H new ATOM 0 HE2 HIS B 215 103.005 -17.472 -8.875 1.00 0.00 H new ATOM 1493 N ILE B 216 102.015 -10.921 -4.706 1.00 0.00 N ATOM 1494 CA ILE B 216 101.289 -10.123 -3.728 1.00 0.00 C ATOM 1495 C ILE B 216 100.001 -9.551 -4.324 1.00 0.00 C ATOM 1496 O ILE B 216 98.985 -9.467 -3.637 1.00 0.00 O ATOM 1497 CB ILE B 216 102.195 -8.988 -3.197 1.00 0.00 C ATOM 1498 CG1 ILE B 216 101.494 -8.270 -2.029 1.00 0.00 C ATOM 1499 CG2 ILE B 216 102.508 -7.977 -4.314 1.00 0.00 C ATOM 1500 CD1 ILE B 216 101.515 -9.157 -0.776 1.00 0.00 C ATOM 0 H ILE B 216 102.908 -10.522 -4.997 1.00 0.00 H new ATOM 0 HA ILE B 216 101.008 -10.771 -2.898 1.00 0.00 H new ATOM 0 HB ILE B 216 103.132 -9.423 -2.849 1.00 0.00 H new ATOM 0 HG12 ILE B 216 101.993 -7.323 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE B 216 100.465 -8.036 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE B 216 103.147 -7.186 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE B 216 103.021 -8.485 -5.131 1.00 0.00 H new ATOM 0 HG23 ILE B 216 101.579 -7.543 -4.683 1.00 0.00 H new ATOM 0 HD11 ILE B 216 101.017 -8.640 0.044 1.00 0.00 H new ATOM 0 HD12 ILE B 216 100.996 -10.093 -0.984 1.00 0.00 H new ATOM 0 HD13 ILE B 216 102.547 -9.369 -0.498 1.00 0.00 H new ATOM 1512 N ASN B 217 100.069 -9.131 -5.589 1.00 0.00 N ATOM 1513 CA ASN B 217 98.911 -8.535 -6.251 1.00 0.00 C ATOM 1514 C ASN B 217 97.749 -9.522 -6.283 1.00 0.00 C ATOM 1515 O ASN B 217 96.635 -9.190 -5.870 1.00 0.00 O ATOM 1516 CB ASN B 217 99.285 -8.137 -7.683 1.00 0.00 C ATOM 1517 CG ASN B 217 100.064 -6.824 -7.680 1.00 0.00 C ATOM 1518 OD1 ASN B 217 99.578 -5.813 -7.175 1.00 0.00 O ATOM 1519 ND2 ASN B 217 101.254 -6.779 -8.217 1.00 0.00 N ATOM 0 H ASN B 217 100.906 -9.192 -6.169 1.00 0.00 H new ATOM 0 HA ASN B 217 98.606 -7.650 -5.692 1.00 0.00 H new ATOM 0 HB2 ASN B 217 99.885 -8.923 -8.142 1.00 0.00 H new ATOM 0 HB3 ASN B 217 98.383 -8.032 -8.286 1.00 0.00 H new ATOM 0 HD21 ASN B 217 101.781 -5.905 -8.218 1.00 0.00 H new ATOM 0 HD22 ASN B 217 101.657 -7.617 -8.636 1.00 0.00 H new ATOM 1526 N LYS B 218 98.026 -10.743 -6.742 1.00 0.00 N ATOM 1527 CA LYS B 218 97.002 -11.788 -6.791 1.00 0.00 C ATOM 1528 C LYS B 218 96.596 -12.190 -5.383 1.00 0.00 C ATOM 1529 O LYS B 218 95.410 -12.372 -5.103 1.00 0.00 O ATOM 1530 CB LYS B 218 97.528 -13.010 -7.548 1.00 0.00 C ATOM 1531 CG LYS B 218 97.796 -12.641 -9.012 1.00 0.00 C ATOM 1532 CD LYS B 218 96.468 -12.505 -9.764 1.00 0.00 C ATOM 1533 CE LYS B 218 96.745 -12.141 -11.218 1.00 0.00 C ATOM 1534 NZ LYS B 218 95.453 -12.030 -11.948 1.00 0.00 N ATOM 0 H LYS B 218 98.943 -11.032 -7.083 1.00 0.00 H new ATOM 0 HA LYS B 218 96.130 -11.396 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS B 218 98.444 -13.371 -7.081 1.00 0.00 H new ATOM 0 HB3 LYS B 218 96.802 -13.822 -7.495 1.00 0.00 H new ATOM 0 HG2 LYS B 218 98.352 -11.705 -9.065 1.00 0.00 H new ATOM 0 HG3 LYS B 218 98.414 -13.406 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS B 218 95.910 -13.440 -9.712 1.00 0.00 H new ATOM 0 HD3 LYS B 218 95.850 -11.738 -9.297 1.00 0.00 H new ATOM 0 HE2 LYS B 218 97.289 -11.198 -11.272 1.00 0.00 H new ATOM 0 HE3 LYS B 218 97.375 -12.900 -11.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 95.636 -11.782 -12.941 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 94.951 -12.940 -11.905 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 94.868 -11.291 -11.508 1.00 0.00 H new ATOM 1548 N HIS B 219 97.589 -12.338 -4.508 1.00 0.00 N ATOM 1549 CA HIS B 219 97.324 -12.728 -3.129 1.00 0.00 C ATOM 1550 C HIS B 219 96.377 -11.731 -2.458 1.00 0.00 C ATOM 1551 O HIS B 219 95.471 -12.143 -1.745 1.00 0.00 O ATOM 1552 CB HIS B 219 98.631 -12.846 -2.323 1.00 0.00 C ATOM 1553 CG HIS B 219 98.292 -13.137 -0.880 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.799 -14.359 -0.454 1.00 0.00 N ATOM 1555 CD2 HIS B 219 98.293 -12.328 0.222 1.00 0.00 C ATOM 1556 CE1 HIS B 219 97.517 -14.243 0.859 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.803 -13.022 1.318 1.00 0.00 N ATOM 0 H HIS B 219 98.575 -12.195 -4.728 1.00 0.00 H new ATOM 0 HA HIS B 219 96.846 -13.707 -3.147 1.00 0.00 H new ATOM 0 HB2 HIS B 219 99.255 -13.641 -2.731 1.00 0.00 H new ATOM 0 HB3 HIS B 219 99.204 -11.922 -2.397 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.673 -15.193 -1.028 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.626 -11.301 0.237 1.00 0.00 H new ATOM 0 HE1 HIS B 219 97.110 -15.039 1.465 1.00 0.00 H new ATOM 1564 N LEU B 220 96.598 -10.438 -2.681 1.00 0.00 N ATOM 1565 CA LEU B 220 95.749 -9.414 -2.074 1.00 0.00 C ATOM 1566 C LEU B 220 94.312 -9.570 -2.555 1.00 0.00 C ATOM 1567 O LEU B 220 93.369 -9.391 -1.783 1.00 0.00 O ATOM 1568 CB LEU B 220 96.266 -8.014 -2.404 1.00 0.00 C ATOM 1569 CG LEU B 220 97.551 -7.733 -1.616 1.00 0.00 C ATOM 1570 CD1 LEU B 220 98.251 -6.511 -2.209 1.00 0.00 C ATOM 1571 CD2 LEU B 220 97.208 -7.451 -0.145 1.00 0.00 C ATOM 0 H LEU B 220 97.348 -10.076 -3.270 1.00 0.00 H new ATOM 0 HA LEU B 220 95.777 -9.543 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.459 -7.931 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.508 -7.270 -2.158 1.00 0.00 H new ATOM 0 HG LEU B 220 98.206 -8.602 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU B 220 99.165 -6.309 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.499 -6.704 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.589 -5.647 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU B 220 98.124 -7.252 0.411 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.551 -6.583 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.705 -8.318 0.284 1.00 0.00 H new ATOM 1583 N ASP B 221 94.158 -9.913 -3.833 1.00 0.00 N ATOM 1584 CA ASP B 221 92.837 -10.112 -4.422 1.00 0.00 C ATOM 1585 C ASP B 221 92.090 -11.240 -3.708 1.00 0.00 C ATOM 1586 O ASP B 221 90.869 -11.185 -3.567 1.00 0.00 O ATOM 1587 CB ASP B 221 92.981 -10.439 -5.910 1.00 0.00 C ATOM 1588 CG ASP B 221 93.091 -9.155 -6.724 1.00 0.00 C ATOM 1589 OD1 ASP B 221 92.331 -8.236 -6.458 1.00 0.00 O ATOM 1590 OD2 ASP B 221 93.935 -9.108 -7.603 1.00 0.00 O ATOM 0 H ASP B 221 94.933 -10.059 -4.480 1.00 0.00 H new ATOM 0 HA ASP B 221 92.261 -9.194 -4.307 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.865 -11.056 -6.070 1.00 0.00 H new ATOM 0 HB3 ASP B 221 92.122 -11.019 -6.247 1.00 0.00 H new ATOM 1595 N SER B 222 92.836 -12.263 -3.270 1.00 0.00 N ATOM 1596 CA SER B 222 92.242 -13.409 -2.571 1.00 0.00 C ATOM 1597 C SER B 222 92.098 -13.126 -1.072 1.00 0.00 C ATOM 1598 O SER B 222 91.064 -13.415 -0.474 1.00 0.00 O ATOM 1599 CB SER B 222 93.125 -14.643 -2.766 1.00 0.00 C ATOM 1600 OG SER B 222 93.082 -15.044 -4.131 1.00 0.00 O ATOM 0 H SER B 222 93.848 -12.320 -3.387 1.00 0.00 H new ATOM 0 HA SER B 222 91.251 -13.586 -2.989 1.00 0.00 H new ATOM 0 HB2 SER B 222 94.151 -14.420 -2.473 1.00 0.00 H new ATOM 0 HB3 SER B 222 92.781 -15.455 -2.126 1.00 0.00 H new ATOM 0 HG SER B 222 93.649 -15.833 -4.258 1.00 0.00 H new ATOM 1606 N CYS B 223 93.148 -12.559 -0.482 1.00 0.00 N ATOM 1607 CA CYS B 223 93.167 -12.228 0.945 1.00 0.00 C ATOM 1608 C CYS B 223 92.052 -11.243 1.285 1.00 0.00 C ATOM 1609 O CYS B 223 91.324 -11.425 2.267 1.00 0.00 O ATOM 1610 CB CYS B 223 94.528 -11.618 1.303 1.00 0.00 C ATOM 1611 SG CYS B 223 94.923 -11.951 3.045 1.00 0.00 S ATOM 0 H CYS B 223 94.007 -12.316 -0.975 1.00 0.00 H new ATOM 0 HA CYS B 223 93.007 -13.139 1.522 1.00 0.00 H new ATOM 0 HB2 CYS B 223 95.303 -12.036 0.660 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.511 -10.543 1.125 1.00 0.00 H new ATOM 1616 N LEU B 224 91.928 -10.207 0.463 1.00 0.00 N ATOM 1617 CA LEU B 224 90.904 -9.187 0.655 1.00 0.00 C ATOM 1618 C LEU B 224 89.509 -9.779 0.469 1.00 0.00 C ATOM 1619 O LEU B 224 88.582 -9.440 1.207 1.00 0.00 O ATOM 1620 CB LEU B 224 91.129 -8.034 -0.328 1.00 0.00 C ATOM 1621 CG LEU B 224 92.395 -7.260 0.069 1.00 0.00 C ATOM 1622 CD1 LEU B 224 92.824 -6.353 -1.084 1.00 0.00 C ATOM 1623 CD2 LEU B 224 92.112 -6.396 1.307 1.00 0.00 C ATOM 0 H LEU B 224 92.528 -10.051 -0.347 1.00 0.00 H new ATOM 0 HA LEU B 224 90.977 -8.806 1.674 1.00 0.00 H new ATOM 0 HB2 LEU B 224 91.230 -8.421 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU B 224 90.267 -7.367 -0.326 1.00 0.00 H new ATOM 0 HG LEU B 224 93.189 -7.972 0.295 1.00 0.00 H new ATOM 0 HD11 LEU B 224 93.722 -5.805 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU B 224 93.032 -6.959 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU B 224 92.024 -5.648 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU B 224 93.014 -5.850 1.583 1.00 0.00 H new ATOM 0 HD22 LEU B 224 91.314 -5.689 1.082 1.00 0.00 H new ATOM 0 HD23 LEU B 224 91.807 -7.036 2.135 1.00 0.00 H new ATOM 1635 N SER B 225 89.371 -10.664 -0.525 1.00 0.00 N ATOM 1636 CA SER B 225 88.084 -11.300 -0.811 1.00 0.00 C ATOM 1637 C SER B 225 87.570 -12.056 0.414 1.00 0.00 C ATOM 1638 O SER B 225 86.362 -12.096 0.659 1.00 0.00 O ATOM 1639 CB SER B 225 88.228 -12.274 -1.986 1.00 0.00 C ATOM 1640 OG SER B 225 88.842 -13.473 -1.538 1.00 0.00 O ATOM 0 H SER B 225 90.131 -10.953 -1.141 1.00 0.00 H new ATOM 0 HA SER B 225 87.369 -10.519 -1.070 1.00 0.00 H new ATOM 0 HB2 SER B 225 87.249 -12.492 -2.413 1.00 0.00 H new ATOM 0 HB3 SER B 225 88.826 -11.820 -2.776 1.00 0.00 H new ATOM 0 HG SER B 225 89.597 -13.255 -0.953 1.00 0.00 H new ATOM 1646 N ARG B 226 88.496 -12.650 1.173 1.00 0.00 N ATOM 1647 CA ARG B 226 88.129 -13.406 2.370 1.00 0.00 C ATOM 1648 C ARG B 226 87.387 -12.490 3.342 1.00 0.00 C ATOM 1649 O ARG B 226 86.369 -12.872 3.913 1.00 0.00 O ATOM 1650 CB ARG B 226 89.393 -13.966 3.037 1.00 0.00 C ATOM 1651 CG ARG B 226 89.002 -14.872 4.213 1.00 0.00 C ATOM 1652 CD ARG B 226 90.245 -15.575 4.758 1.00 0.00 C ATOM 1653 NE ARG B 226 91.164 -14.591 5.341 1.00 0.00 N ATOM 1654 CZ ARG B 226 91.081 -14.190 6.623 1.00 0.00 C ATOM 1655 NH1 ARG B 226 90.162 -14.660 7.436 1.00 0.00 N ATOM 1656 NH2 ARG B 226 91.931 -13.311 7.070 1.00 0.00 N ATOM 0 H ARG B 226 89.497 -12.622 0.980 1.00 0.00 H new ATOM 0 HA ARG B 226 87.479 -14.236 2.092 1.00 0.00 H new ATOM 0 HB2 ARG B 226 89.979 -14.529 2.311 1.00 0.00 H new ATOM 0 HB3 ARG B 226 90.022 -13.149 3.389 1.00 0.00 H new ATOM 0 HG2 ARG B 226 88.533 -14.281 4.999 1.00 0.00 H new ATOM 0 HG3 ARG B 226 88.268 -15.610 3.888 1.00 0.00 H new ATOM 0 HD2 ARG B 226 89.957 -16.307 5.512 1.00 0.00 H new ATOM 0 HD3 ARG B 226 90.744 -16.121 3.958 1.00 0.00 H new ATOM 0 HE ARG B 226 91.895 -14.195 4.751 1.00 0.00 H new ATOM 0 HH11 ARG B 226 89.487 -15.347 7.100 1.00 0.00 H new ATOM 0 HH12 ARG B 226 90.123 -14.338 8.403 1.00 0.00 H new ATOM 0 HH21 ARG B 226 92.649 -12.935 6.451 1.00 0.00 H new ATOM 0 HH22 ARG B 226 91.879 -12.999 8.040 1.00 0.00 H new ATOM 1670 N GLU B 227 87.928 -11.292 3.526 1.00 0.00 N ATOM 1671 CA GLU B 227 87.333 -10.317 4.436 1.00 0.00 C ATOM 1672 C GLU B 227 85.910 -9.974 3.990 1.00 0.00 C ATOM 1673 O GLU B 227 85.046 -9.698 4.825 1.00 0.00 O ATOM 1674 CB GLU B 227 88.183 -9.051 4.467 1.00 0.00 C ATOM 1675 CG GLU B 227 87.671 -8.112 5.572 1.00 0.00 C ATOM 1676 CD GLU B 227 88.550 -6.859 5.681 1.00 0.00 C ATOM 1677 OE1 GLU B 227 88.459 -6.194 6.696 1.00 0.00 O ATOM 1678 OE2 GLU B 227 89.293 -6.573 4.748 1.00 0.00 O ATOM 0 H GLU B 227 88.776 -10.971 3.059 1.00 0.00 H new ATOM 0 HA GLU B 227 87.294 -10.749 5.436 1.00 0.00 H new ATOM 0 HB2 GLU B 227 89.227 -9.306 4.648 1.00 0.00 H new ATOM 0 HB3 GLU B 227 88.141 -8.549 3.501 1.00 0.00 H new ATOM 0 HG2 GLU B 227 86.642 -7.821 5.359 1.00 0.00 H new ATOM 0 HG3 GLU B 227 87.662 -8.639 6.526 1.00 0.00 H new ATOM 1685 N GLU B 228 85.683 -9.994 2.675 1.00 0.00 N ATOM 1686 CA GLU B 228 84.364 -9.693 2.125 1.00 0.00 C ATOM 1687 C GLU B 228 83.378 -10.843 2.376 1.00 0.00 C ATOM 1688 O GLU B 228 82.164 -10.642 2.311 1.00 0.00 O ATOM 1689 CB GLU B 228 84.472 -9.429 0.621 1.00 0.00 C ATOM 1690 CG GLU B 228 85.298 -8.160 0.365 1.00 0.00 C ATOM 1691 CD GLU B 228 84.572 -6.928 0.910 1.00 0.00 C ATOM 1692 OE1 GLU B 228 85.176 -6.200 1.680 1.00 0.00 O ATOM 1693 OE2 GLU B 228 83.421 -6.736 0.548 1.00 0.00 O ATOM 0 H GLU B 228 86.393 -10.214 1.976 1.00 0.00 H new ATOM 0 HA GLU B 228 83.987 -8.803 2.628 1.00 0.00 H new ATOM 0 HB2 GLU B 228 84.938 -10.281 0.127 1.00 0.00 H new ATOM 0 HB3 GLU B 228 83.477 -9.317 0.191 1.00 0.00 H new ATOM 0 HG2 GLU B 228 86.275 -8.253 0.840 1.00 0.00 H new ATOM 0 HG3 GLU B 228 85.473 -8.043 -0.704 1.00 0.00 H new ATOM 1700 N LYS B 229 83.909 -12.035 2.674 1.00 0.00 N ATOM 1701 CA LYS B 229 83.075 -13.204 2.952 1.00 0.00 C ATOM 1702 C LYS B 229 82.408 -13.082 4.319 1.00 0.00 C ATOM 1703 O LYS B 229 81.268 -13.516 4.497 1.00 0.00 O ATOM 1704 CB LYS B 229 83.922 -14.479 2.889 1.00 0.00 C ATOM 1705 CG LYS B 229 84.445 -14.684 1.461 1.00 0.00 C ATOM 1706 CD LYS B 229 83.315 -15.191 0.561 1.00 0.00 C ATOM 1707 CE LYS B 229 83.851 -15.406 -0.850 1.00 0.00 C ATOM 1708 NZ LYS B 229 82.754 -15.904 -1.723 1.00 0.00 N ATOM 0 H LYS B 229 84.912 -12.212 2.728 1.00 0.00 H new ATOM 0 HA LYS B 229 82.293 -13.257 2.194 1.00 0.00 H new ATOM 0 HB2 LYS B 229 84.757 -14.407 3.585 1.00 0.00 H new ATOM 0 HB3 LYS B 229 83.326 -15.339 3.195 1.00 0.00 H new ATOM 0 HG2 LYS B 229 84.840 -13.746 1.071 1.00 0.00 H new ATOM 0 HG3 LYS B 229 85.268 -15.399 1.465 1.00 0.00 H new ATOM 0 HD2 LYS B 229 82.912 -16.124 0.955 1.00 0.00 H new ATOM 0 HD3 LYS B 229 82.497 -14.471 0.546 1.00 0.00 H new ATOM 0 HE2 LYS B 229 84.250 -14.472 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS B 229 84.672 -16.123 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 83.117 -16.052 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 82.393 -16.804 -1.347 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 81.984 -15.205 -1.746 1.00 0.00 H new ATOM 1722 N LYS B 230 83.142 -12.521 5.284 1.00 0.00 N ATOM 1723 CA LYS B 230 82.630 -12.371 6.646 1.00 0.00 C ATOM 1724 C LYS B 230 81.348 -11.544 6.654 1.00 0.00 C ATOM 1725 O LYS B 230 80.389 -11.888 7.354 1.00 0.00 O ATOM 1726 CB LYS B 230 83.680 -11.696 7.531 1.00 0.00 C ATOM 1727 CG LYS B 230 84.850 -12.654 7.755 1.00 0.00 C ATOM 1728 CD LYS B 230 85.895 -11.981 8.648 1.00 0.00 C ATOM 1729 CE LYS B 230 87.028 -12.967 8.936 1.00 0.00 C ATOM 1730 NZ LYS B 230 87.776 -13.254 7.676 1.00 0.00 N ATOM 0 H LYS B 230 84.088 -12.165 5.147 1.00 0.00 H new ATOM 0 HA LYS B 230 82.409 -13.364 7.038 1.00 0.00 H new ATOM 0 HB2 LYS B 230 84.033 -10.778 7.060 1.00 0.00 H new ATOM 0 HB3 LYS B 230 83.239 -11.414 8.487 1.00 0.00 H new ATOM 0 HG2 LYS B 230 84.497 -13.574 8.220 1.00 0.00 H new ATOM 0 HG3 LYS B 230 85.296 -12.930 6.800 1.00 0.00 H new ATOM 0 HD2 LYS B 230 86.289 -11.091 8.158 1.00 0.00 H new ATOM 0 HD3 LYS B 230 85.436 -11.655 9.581 1.00 0.00 H new ATOM 0 HE2 LYS B 230 87.703 -12.552 9.685 1.00 0.00 H new ATOM 0 HE3 LYS B 230 86.623 -13.891 9.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 87.870 -14.283 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 87.258 -12.856 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 88.721 -12.824 7.728 1.00 0.00 H new ATOM 1744 N GLU B 231 81.331 -10.459 5.874 1.00 0.00 N ATOM 1745 CA GLU B 231 80.158 -9.588 5.793 1.00 0.00 C ATOM 1746 C GLU B 231 78.956 -10.354 5.253 1.00 0.00 C ATOM 1747 O GLU B 231 79.007 -10.910 4.155 1.00 0.00 O ATOM 1748 CB GLU B 231 80.467 -8.396 4.877 1.00 0.00 C ATOM 1749 CG GLU B 231 81.519 -7.496 5.541 1.00 0.00 C ATOM 1750 CD GLU B 231 80.948 -6.838 6.804 1.00 0.00 C ATOM 1751 OE1 GLU B 231 81.739 -6.445 7.644 1.00 0.00 O ATOM 1752 OE2 GLU B 231 79.733 -6.714 6.909 1.00 0.00 O ATOM 0 H GLU B 231 82.115 -10.165 5.292 1.00 0.00 H new ATOM 0 HA GLU B 231 79.918 -9.229 6.794 1.00 0.00 H new ATOM 0 HB2 GLU B 231 80.833 -8.750 3.913 1.00 0.00 H new ATOM 0 HB3 GLU B 231 79.557 -7.828 4.683 1.00 0.00 H new ATOM 0 HG2 GLU B 231 82.399 -8.085 5.798 1.00 0.00 H new ATOM 0 HG3 GLU B 231 81.843 -6.728 4.839 1.00 0.00 H new ATOM 1759 N SER B 232 77.880 -10.377 6.040 1.00 0.00 N ATOM 1760 CA SER B 232 76.657 -11.076 5.653 1.00 0.00 C ATOM 1761 C SER B 232 75.436 -10.449 6.321 1.00 0.00 C ATOM 1762 O SER B 232 75.541 -9.859 7.399 1.00 0.00 O ATOM 1763 CB SER B 232 76.764 -12.549 6.052 1.00 0.00 C ATOM 1764 OG SER B 232 77.108 -12.641 7.428 1.00 0.00 O ATOM 0 H SER B 232 77.832 -9.919 6.950 1.00 0.00 H new ATOM 0 HA SER B 232 76.537 -10.993 4.573 1.00 0.00 H new ATOM 0 HB2 SER B 232 75.817 -13.057 5.868 1.00 0.00 H new ATOM 0 HB3 SER B 232 77.518 -13.048 5.443 1.00 0.00 H new ATOM 0 HG SER B 232 77.176 -13.584 7.686 1.00 0.00 H new ATOM 1770 N LEU B 233 74.281 -10.592 5.673 1.00 0.00 N ATOM 1771 CA LEU B 233 73.031 -10.049 6.198 1.00 0.00 C ATOM 1772 C LEU B 233 71.992 -11.155 6.313 1.00 0.00 C ATOM 1773 O LEU B 233 71.747 -11.885 5.348 1.00 0.00 O ATOM 1774 CB LEU B 233 72.513 -8.946 5.269 1.00 0.00 C ATOM 1775 CG LEU B 233 73.466 -7.739 5.302 1.00 0.00 C ATOM 1776 CD1 LEU B 233 73.142 -6.799 4.138 1.00 0.00 C ATOM 1777 CD2 LEU B 233 73.300 -6.976 6.626 1.00 0.00 C ATOM 0 H LEU B 233 74.186 -11.080 4.782 1.00 0.00 H new ATOM 0 HA LEU B 233 73.214 -9.628 7.187 1.00 0.00 H new ATOM 0 HB2 LEU B 233 72.430 -9.326 4.251 1.00 0.00 H new ATOM 0 HB3 LEU B 233 71.514 -8.639 5.577 1.00 0.00 H new ATOM 0 HG LEU B 233 74.493 -8.095 5.215 1.00 0.00 H new ATOM 0 HD11 LEU B 233 73.818 -5.944 4.162 1.00 0.00 H new ATOM 0 HD12 LEU B 233 73.264 -7.332 3.195 1.00 0.00 H new ATOM 0 HD13 LEU B 233 72.113 -6.451 4.227 1.00 0.00 H new ATOM 0 HD21 LEU B 233 73.978 -6.123 6.642 1.00 0.00 H new ATOM 0 HD22 LEU B 233 72.272 -6.624 6.717 1.00 0.00 H new ATOM 0 HD23 LEU B 233 73.532 -7.639 7.460 1.00 0.00 H new ATOM 1789 N ARG B 234 71.394 -11.275 7.497 1.00 0.00 N ATOM 1790 CA ARG B 234 70.383 -12.300 7.741 1.00 0.00 C ATOM 1791 C ARG B 234 69.161 -12.072 6.863 1.00 0.00 C ATOM 1792 O ARG B 234 68.596 -13.022 6.311 1.00 0.00 O ATOM 1793 CB ARG B 234 69.967 -12.287 9.211 1.00 0.00 C ATOM 1794 CG ARG B 234 71.104 -12.839 10.074 1.00 0.00 C ATOM 1795 CD ARG B 234 70.702 -12.783 11.550 1.00 0.00 C ATOM 1796 NE ARG B 234 71.772 -13.339 12.388 1.00 0.00 N ATOM 1797 CZ ARG B 234 71.840 -14.646 12.711 1.00 0.00 C ATOM 1798 NH1 ARG B 234 70.945 -15.511 12.289 1.00 0.00 N ATOM 1799 NH2 ARG B 234 72.824 -15.066 13.460 1.00 0.00 N ATOM 0 H ARG B 234 71.592 -10.677 8.299 1.00 0.00 H new ATOM 0 HA ARG B 234 70.815 -13.270 7.495 1.00 0.00 H new ATOM 0 HB2 ARG B 234 69.723 -11.271 9.521 1.00 0.00 H new ATOM 0 HB3 ARG B 234 69.068 -12.887 9.350 1.00 0.00 H new ATOM 0 HG2 ARG B 234 71.327 -13.866 9.786 1.00 0.00 H new ATOM 0 HG3 ARG B 234 72.012 -12.258 9.912 1.00 0.00 H new ATOM 0 HD2 ARG B 234 70.501 -11.752 11.841 1.00 0.00 H new ATOM 0 HD3 ARG B 234 69.780 -13.344 11.705 1.00 0.00 H new ATOM 0 HE ARG B 234 72.494 -12.710 12.740 1.00 0.00 H new ATOM 0 HH11 ARG B 234 70.172 -15.199 11.700 1.00 0.00 H new ATOM 0 HH12 ARG B 234 71.023 -16.494 12.550 1.00 0.00 H new ATOM 0 HH21 ARG B 234 73.529 -14.408 13.793 1.00 0.00 H new ATOM 0 HH22 ARG B 234 72.888 -16.052 13.712 1.00 0.00 H new ATOM 1813 N SER B 235 68.764 -10.807 6.739 1.00 0.00 N ATOM 1814 CA SER B 235 67.609 -10.443 5.926 1.00 0.00 C ATOM 1815 C SER B 235 68.054 -9.641 4.712 1.00 0.00 C ATOM 1816 O SER B 235 68.462 -8.485 4.840 1.00 0.00 O ATOM 1817 CB SER B 235 66.628 -9.616 6.757 1.00 0.00 C ATOM 1818 OG SER B 235 67.334 -8.574 7.420 1.00 0.00 O ATOM 0 H SER B 235 69.226 -10.018 7.192 1.00 0.00 H new ATOM 0 HA SER B 235 67.116 -11.355 5.588 1.00 0.00 H new ATOM 0 HB2 SER B 235 65.855 -9.195 6.115 1.00 0.00 H new ATOM 0 HB3 SER B 235 66.126 -10.252 7.486 1.00 0.00 H new ATOM 0 HG SER B 235 67.983 -8.175 6.803 1.00 0.00 H new ATOM 1824 N SER B 236 67.974 -10.267 3.539 1.00 0.00 N ATOM 1825 CA SER B 236 68.369 -9.613 2.295 1.00 0.00 C ATOM 1826 C SER B 236 67.945 -10.455 1.098 1.00 0.00 C ATOM 1827 O SER B 236 68.487 -11.539 0.871 1.00 0.00 O ATOM 1828 CB SER B 236 69.885 -9.407 2.274 1.00 0.00 C ATOM 1829 OG SER B 236 70.531 -10.671 2.245 1.00 0.00 O ATOM 0 H SER B 236 67.640 -11.224 3.425 1.00 0.00 H new ATOM 0 HA SER B 236 67.874 -8.644 2.236 1.00 0.00 H new ATOM 0 HB2 SER B 236 70.171 -8.819 1.402 1.00 0.00 H new ATOM 0 HB3 SER B 236 70.199 -8.845 3.154 1.00 0.00 H new ATOM 0 HG SER B 236 69.999 -11.298 1.712 1.00 0.00 H new ATOM 1835 N VAL B 237 66.976 -9.941 0.339 1.00 0.00 N ATOM 1836 CA VAL B 237 66.472 -10.637 -0.845 1.00 0.00 C ATOM 1837 C VAL B 237 66.461 -9.690 -2.045 1.00 0.00 C ATOM 1838 O VAL B 237 66.055 -8.532 -1.922 1.00 0.00 O ATOM 1839 CB VAL B 237 65.056 -11.185 -0.572 1.00 0.00 C ATOM 1840 CG1 VAL B 237 64.079 -10.030 -0.314 1.00 0.00 C ATOM 1841 CG2 VAL B 237 64.569 -12.003 -1.777 1.00 0.00 C ATOM 0 H VAL B 237 66.525 -9.045 0.523 1.00 0.00 H new ATOM 0 HA VAL B 237 67.130 -11.476 -1.073 1.00 0.00 H new ATOM 0 HB VAL B 237 65.096 -11.824 0.310 1.00 0.00 H new ATOM 0 HG11 VAL B 237 63.084 -10.431 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL B 237 64.412 -9.458 0.552 1.00 0.00 H new ATOM 0 HG13 VAL B 237 64.046 -9.379 -1.188 1.00 0.00 H new ATOM 0 HG21 VAL B 237 63.569 -12.386 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL B 237 64.543 -11.367 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL B 237 65.249 -12.837 -1.949 1.00 0.00 H new ATOM 1851 N HIS B 238 66.895 -10.203 -3.190 1.00 0.00 N ATOM 1852 CA HIS B 238 66.926 -9.412 -4.416 1.00 0.00 C ATOM 1853 C HIS B 238 65.511 -9.073 -4.879 1.00 0.00 C ATOM 1854 O HIS B 238 65.225 -7.925 -5.232 1.00 0.00 O ATOM 1855 CB HIS B 238 67.657 -10.187 -5.518 1.00 0.00 C ATOM 1856 CG HIS B 238 69.121 -10.281 -5.180 1.00 0.00 C ATOM 1857 ND1 HIS B 238 69.987 -9.208 -5.337 1.00 0.00 N ATOM 1858 CD2 HIS B 238 69.888 -11.310 -4.691 1.00 0.00 C ATOM 1859 CE1 HIS B 238 71.209 -9.612 -4.948 1.00 0.00 C ATOM 1860 NE2 HIS B 238 71.207 -10.884 -4.545 1.00 0.00 N ATOM 0 H HIS B 238 67.230 -11.161 -3.296 1.00 0.00 H new ATOM 0 HA HIS B 238 67.456 -8.482 -4.211 1.00 0.00 H new ATOM 0 HB2 HIS B 238 67.231 -11.185 -5.619 1.00 0.00 H new ATOM 0 HB3 HIS B 238 67.526 -9.686 -6.477 1.00 0.00 H new ATOM 0 HD2 HIS B 238 69.524 -12.299 -4.455 1.00 0.00 H new ATOM 0 HE1 HIS B 238 72.087 -8.983 -4.960 1.00 0.00 H new ATOM 0 HE2 HIS B 238 72.000 -11.427 -4.204 1.00 0.00 H new ATOM 1868 N LYS B 239 64.633 -10.080 -4.873 1.00 0.00 N ATOM 1869 CA LYS B 239 63.246 -9.891 -5.297 1.00 0.00 C ATOM 1870 C LYS B 239 62.304 -9.932 -4.101 1.00 0.00 C ATOM 1871 O LYS B 239 62.495 -10.723 -3.179 1.00 0.00 O ATOM 1872 CB LYS B 239 62.853 -10.985 -6.295 1.00 0.00 C ATOM 1873 CG LYS B 239 63.630 -10.791 -7.599 1.00 0.00 C ATOM 1874 CD LYS B 239 63.243 -11.886 -8.595 1.00 0.00 C ATOM 1875 CE LYS B 239 64.012 -11.683 -9.901 1.00 0.00 C ATOM 1876 NZ LYS B 239 63.614 -12.733 -10.882 1.00 0.00 N ATOM 0 H LYS B 239 64.858 -11.031 -4.580 1.00 0.00 H new ATOM 0 HA LYS B 239 63.164 -8.914 -5.773 1.00 0.00 H new ATOM 0 HB2 LYS B 239 63.066 -11.968 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS B 239 61.781 -10.947 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS B 239 63.414 -9.809 -8.020 1.00 0.00 H new ATOM 0 HG3 LYS B 239 64.702 -10.825 -7.404 1.00 0.00 H new ATOM 0 HD2 LYS B 239 63.467 -12.868 -8.178 1.00 0.00 H new ATOM 0 HD3 LYS B 239 62.170 -11.857 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS B 239 63.804 -10.693 -10.308 1.00 0.00 H new ATOM 0 HE3 LYS B 239 65.085 -11.732 -9.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 64.137 -12.595 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 63.834 -13.672 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 62.593 -12.665 -11.068 1.00 0.00 H new ATOM 1890 N ARG B 240 61.279 -9.075 -4.129 1.00 0.00 N ATOM 1891 CA ARG B 240 60.299 -9.013 -3.044 1.00 0.00 C ATOM 1892 C ARG B 240 61.011 -8.892 -1.687 1.00 0.00 C ATOM 1893 O ARG B 240 61.253 -7.773 -1.270 1.00 0.00 O ATOM 1894 CB ARG B 240 59.416 -10.271 -3.075 1.00 0.00 C ATOM 1895 CG ARG B 240 58.304 -10.164 -2.026 1.00 0.00 C ATOM 1896 CD ARG B 240 57.399 -11.390 -2.126 1.00 0.00 C ATOM 1897 NE ARG B 240 58.129 -12.597 -1.721 1.00 0.00 N ATOM 1898 CZ ARG B 240 57.613 -13.835 -1.843 1.00 0.00 C ATOM 1899 NH1 ARG B 240 56.412 -14.033 -2.337 1.00 0.00 N ATOM 1900 NH2 ARG B 240 58.322 -14.861 -1.460 1.00 0.00 N ATOM 1901 OXT ARG B 240 61.312 -9.918 -1.096 1.00 0.00 O ATOM 0 H ARG B 240 61.108 -8.417 -4.889 1.00 0.00 H new ATOM 0 HA ARG B 240 59.670 -8.133 -3.180 1.00 0.00 H new ATOM 0 HB2 ARG B 240 58.980 -10.394 -4.066 1.00 0.00 H new ATOM 0 HB3 ARG B 240 60.024 -11.155 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG B 240 58.735 -10.096 -1.027 1.00 0.00 H new ATOM 0 HG3 ARG B 240 57.724 -9.255 -2.185 1.00 0.00 H new ATOM 0 HD2 ARG B 240 56.523 -11.256 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG B 240 57.038 -11.501 -3.148 1.00 0.00 H new ATOM 0 HE ARG B 240 59.066 -12.494 -1.331 1.00 0.00 H new ATOM 0 HH11 ARG B 240 55.847 -13.239 -2.639 1.00 0.00 H new ATOM 0 HH12 ARG B 240 56.044 -14.981 -2.419 1.00 0.00 H new ATOM 0 HH21 ARG B 240 59.255 -14.720 -1.074 1.00 0.00 H new ATOM 0 HH22 ARG B 240 57.943 -15.804 -1.547 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 97.233 -12.205 3.032 1.00 0.00 ZN