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 55 THR OG1 : rot -65:sc= -0.287 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.671 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.815 K(o=-1.5,f=-2.4!) USER MOD Set 3.1: A 7 THR OG1 : rot 115:sc= 0.566 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0258) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.607 X(o=-0.61,f=-0.59) 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 -91:sc= 1.63 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0.0712 (180deg=-0.276) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.803 K(o=-0.8,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.0678 (180deg=-0.53) USER MOD Single : A 40 GLN : amide:sc= -0.843 X(o=-0.84,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.37) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.715 K(o=-0.72,f=-5.4!) USER MOD Single : A 59 TYR OH : rot -50:sc= 0.312 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -145:sc= 0.419 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0502 X(o=-0.05,f=-0.11) USER MOD Single : B 198 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 200 THR OG1 : rot 165:sc= 0.951 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.048) 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=-0.23) USER MOD Single : B 217 ASN : amide:sc= -0.851 K(o=-0.85,f=-7.2!) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot -36:sc= -0.0895 USER MOD Single : B 225 SER OG : rot 180:sc= 0 USER MOD Single : B 229 LYS NZ :NH3+ -163:sc=-0.00709 (180deg=-0.299) USER MOD Single : B 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 232 SER OG : rot 180:sc= 0 USER MOD Single : B 235 SER OG : rot 180:sc= 0 USER MOD Single : B 236 SER OG : rot 180:sc=0.000883 USER MOD Single : B 238 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.35) USER MOD Single : B 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 97.025 16.105 11.805 1.00 0.00 N ATOM 2 CA MET A 1 96.839 14.623 11.755 1.00 0.00 C ATOM 3 C MET A 1 98.030 13.996 11.045 1.00 0.00 C ATOM 4 O MET A 1 97.908 13.503 9.919 1.00 0.00 O ATOM 5 CB MET A 1 95.545 14.287 10.992 1.00 0.00 C ATOM 6 CG MET A 1 95.294 12.760 11.008 1.00 0.00 C ATOM 7 SD MET A 1 94.260 12.296 9.593 1.00 0.00 S ATOM 8 CE MET A 1 93.648 10.738 10.270 1.00 0.00 C ATOM 0 H1 MET A 1 96.214 16.540 12.289 1.00 0.00 H new ATOM 0 H2 MET A 1 97.899 16.328 12.324 1.00 0.00 H new ATOM 0 H3 MET A 1 97.092 16.479 10.837 1.00 0.00 H new ATOM 0 HA MET A 1 96.766 14.229 12.769 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.701 14.806 11.447 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.619 14.640 9.963 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.243 12.225 10.968 1.00 0.00 H new ATOM 0 HG3 MET A 1 94.805 12.472 11.938 1.00 0.00 H new ATOM 0 HE1 MET A 1 92.923 10.303 9.583 1.00 0.00 H new ATOM 0 HE2 MET A 1 94.481 10.048 10.404 1.00 0.00 H new ATOM 0 HE3 MET A 1 93.171 10.922 11.232 1.00 0.00 H new ATOM 20 N GLN A 2 99.165 14.010 11.720 1.00 0.00 N ATOM 21 CA GLN A 2 100.387 13.431 11.166 1.00 0.00 C ATOM 22 C GLN A 2 100.277 11.921 11.217 1.00 0.00 C ATOM 23 O GLN A 2 100.020 11.344 12.276 1.00 0.00 O ATOM 24 CB GLN A 2 101.614 13.885 11.955 1.00 0.00 C ATOM 25 CG GLN A 2 102.892 13.462 11.224 1.00 0.00 C ATOM 26 CD GLN A 2 104.119 14.012 11.949 1.00 0.00 C ATOM 27 OE1 GLN A 2 104.458 15.188 11.801 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.803 13.229 12.736 1.00 0.00 N ATOM 0 H GLN A 2 99.272 14.414 12.651 1.00 0.00 H new ATOM 0 HA GLN A 2 100.504 13.767 10.136 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.597 14.968 12.078 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.596 13.450 12.954 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.948 12.375 11.173 1.00 0.00 H new ATOM 0 HG3 GLN A 2 102.872 13.829 10.198 1.00 0.00 H new ATOM 0 HE21 GLN A 2 104.522 12.256 12.858 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.619 13.589 13.230 1.00 0.00 H new ATOM 37 N ILE A 3 100.476 11.301 10.065 1.00 0.00 N ATOM 38 CA ILE A 3 100.394 9.856 9.945 1.00 0.00 C ATOM 39 C ILE A 3 101.707 9.322 9.408 1.00 0.00 C ATOM 40 O ILE A 3 102.515 10.081 8.865 1.00 0.00 O ATOM 41 CB ILE A 3 99.229 9.455 9.014 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.431 10.069 7.611 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.903 9.952 9.618 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.436 9.460 6.617 1.00 0.00 C ATOM 0 H ILE A 3 100.697 11.782 9.193 1.00 0.00 H new ATOM 0 HA ILE A 3 100.205 9.425 10.928 1.00 0.00 H new ATOM 0 HB ILE A 3 99.203 8.370 8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.295 11.150 7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.451 9.890 7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 3 97.077 9.671 8.964 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.758 9.500 10.599 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.933 11.037 9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.589 9.901 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.592 8.383 6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.418 9.662 6.951 1.00 0.00 H new ATOM 56 N PHE A 4 101.920 8.025 9.575 1.00 0.00 N ATOM 57 CA PHE A 4 103.149 7.395 9.107 1.00 0.00 C ATOM 58 C PHE A 4 102.805 6.283 8.125 1.00 0.00 C ATOM 59 O PHE A 4 101.830 5.555 8.321 1.00 0.00 O ATOM 60 CB PHE A 4 103.931 6.803 10.287 1.00 0.00 C ATOM 61 CG PHE A 4 104.232 7.879 11.304 1.00 0.00 C ATOM 62 CD1 PHE A 4 103.388 8.052 12.409 1.00 0.00 C ATOM 63 CD2 PHE A 4 105.346 8.706 11.139 1.00 0.00 C ATOM 64 CE1 PHE A 4 103.665 9.047 13.353 1.00 0.00 C ATOM 65 CE2 PHE A 4 105.624 9.703 12.083 1.00 0.00 C ATOM 66 CZ PHE A 4 104.782 9.876 13.187 1.00 0.00 C ATOM 0 H PHE A 4 101.263 7.390 10.028 1.00 0.00 H new ATOM 0 HA PHE A 4 103.765 8.149 8.616 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.353 6.004 10.752 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.860 6.358 9.931 1.00 0.00 H new ATOM 0 HD1 PHE A 4 102.523 7.417 12.532 1.00 0.00 H new ATOM 0 HD2 PHE A 4 105.993 8.577 10.284 1.00 0.00 H new ATOM 0 HE1 PHE A 4 103.018 9.176 14.208 1.00 0.00 H new ATOM 0 HE2 PHE A 4 106.488 10.338 11.959 1.00 0.00 H new ATOM 0 HZ PHE A 4 104.993 10.649 13.911 1.00 0.00 H new ATOM 76 N VAL A 5 103.617 6.152 7.079 1.00 0.00 N ATOM 77 CA VAL A 5 103.406 5.112 6.078 1.00 0.00 C ATOM 78 C VAL A 5 104.659 4.248 6.023 1.00 0.00 C ATOM 79 O VAL A 5 105.779 4.766 5.981 1.00 0.00 O ATOM 80 CB VAL A 5 103.084 5.729 4.700 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.802 4.621 3.676 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.845 6.631 4.812 1.00 0.00 C ATOM 0 H VAL A 5 104.424 6.751 6.904 1.00 0.00 H new ATOM 0 HA VAL A 5 102.549 4.496 6.352 1.00 0.00 H new ATOM 0 HB VAL A 5 103.942 6.316 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.576 5.069 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.678 3.980 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.951 4.027 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.621 7.064 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.994 6.040 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 5 102.040 7.429 5.528 1.00 0.00 H new ATOM 92 N LYS A 6 104.458 2.930 6.037 1.00 0.00 N ATOM 93 CA LYS A 6 105.573 1.990 6.005 1.00 0.00 C ATOM 94 C LYS A 6 105.424 1.022 4.841 1.00 0.00 C ATOM 95 O LYS A 6 104.412 0.325 4.721 1.00 0.00 O ATOM 96 CB LYS A 6 105.625 1.204 7.317 1.00 0.00 C ATOM 97 CG LYS A 6 106.949 0.442 7.402 1.00 0.00 C ATOM 98 CD LYS A 6 107.024 -0.306 8.730 1.00 0.00 C ATOM 99 CE LYS A 6 108.353 -1.050 8.814 1.00 0.00 C ATOM 100 NZ LYS A 6 108.440 -1.760 10.119 1.00 0.00 N ATOM 0 H LYS A 6 103.537 2.493 6.070 1.00 0.00 H new ATOM 0 HA LYS A 6 106.497 2.554 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.529 1.883 8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.788 0.508 7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 6 107.030 -0.260 6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.786 1.135 7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.933 0.394 9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 6 106.195 -1.009 8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 6 108.436 -1.763 7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 6 109.182 -0.349 8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 109.346 -2.268 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 108.379 -1.070 10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 107.656 -2.439 10.198 1.00 0.00 H new ATOM 114 N THR A 7 106.440 1.004 3.984 1.00 0.00 N ATOM 115 CA THR A 7 106.432 0.141 2.811 1.00 0.00 C ATOM 116 C THR A 7 106.814 -1.279 3.209 1.00 0.00 C ATOM 117 O THR A 7 107.348 -1.503 4.300 1.00 0.00 O ATOM 118 CB THR A 7 107.426 0.661 1.763 1.00 0.00 C ATOM 119 OG1 THR A 7 108.740 0.612 2.300 1.00 0.00 O ATOM 120 CG2 THR A 7 107.089 2.107 1.375 1.00 0.00 C ATOM 0 H THR A 7 107.278 1.577 4.081 1.00 0.00 H new ATOM 0 HA THR A 7 105.429 0.142 2.385 1.00 0.00 H new ATOM 0 HB THR A 7 107.362 0.034 0.873 1.00 0.00 H new ATOM 0 HG1 THR A 7 109.276 -0.034 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.803 2.460 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 7 106.082 2.147 0.959 1.00 0.00 H new ATOM 0 HG23 THR A 7 107.142 2.743 2.259 1.00 0.00 H new ATOM 128 N LEU A 8 106.522 -2.226 2.323 1.00 0.00 N ATOM 129 CA LEU A 8 106.821 -3.633 2.576 1.00 0.00 C ATOM 130 C LEU A 8 108.326 -3.877 2.678 1.00 0.00 C ATOM 131 O LEU A 8 108.762 -4.856 3.288 1.00 0.00 O ATOM 132 CB LEU A 8 106.250 -4.494 1.444 1.00 0.00 C ATOM 133 CG LEU A 8 104.719 -4.405 1.437 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.178 -5.034 0.151 1.00 0.00 C ATOM 135 CD2 LEU A 8 104.147 -5.152 2.647 1.00 0.00 C ATOM 0 H LEU A 8 106.078 -2.045 1.423 1.00 0.00 H new ATOM 0 HA LEU A 8 106.362 -3.905 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.646 -4.158 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.561 -5.531 1.572 1.00 0.00 H new ATOM 0 HG LEU A 8 104.422 -3.358 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 8 103.090 -4.971 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.577 -4.500 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.481 -6.080 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 8 103.059 -5.084 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.446 -6.199 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.528 -4.704 3.565 1.00 0.00 H new ATOM 147 N THR A 9 109.108 -2.977 2.080 1.00 0.00 N ATOM 148 CA THR A 9 110.563 -3.083 2.097 1.00 0.00 C ATOM 149 C THR A 9 111.139 -2.647 3.454 1.00 0.00 C ATOM 150 O THR A 9 112.280 -2.986 3.780 1.00 0.00 O ATOM 151 CB THR A 9 111.154 -2.226 0.973 1.00 0.00 C ATOM 152 OG1 THR A 9 110.683 -0.892 1.104 1.00 0.00 O ATOM 153 CG2 THR A 9 110.723 -2.792 -0.387 1.00 0.00 C ATOM 0 H THR A 9 108.754 -2.164 1.576 1.00 0.00 H new ATOM 0 HA THR A 9 110.833 -4.127 1.940 1.00 0.00 H new ATOM 0 HB THR A 9 112.242 -2.238 1.039 1.00 0.00 H new ATOM 0 HG1 THR A 9 111.060 -0.340 0.387 1.00 0.00 H new ATOM 0 HG21 THR A 9 111.144 -2.181 -1.185 1.00 0.00 H new ATOM 0 HG22 THR A 9 111.083 -3.816 -0.485 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.635 -2.781 -0.457 1.00 0.00 H new ATOM 161 N GLY A 10 110.345 -1.905 4.239 1.00 0.00 N ATOM 162 CA GLY A 10 110.783 -1.440 5.555 1.00 0.00 C ATOM 163 C GLY A 10 110.959 0.082 5.607 1.00 0.00 C ATOM 164 O GLY A 10 111.163 0.641 6.688 1.00 0.00 O ATOM 0 H GLY A 10 109.400 -1.617 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 10 110.054 -1.745 6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.727 -1.921 5.812 1.00 0.00 H new ATOM 168 N LYS A 11 110.876 0.747 4.448 1.00 0.00 N ATOM 169 CA LYS A 11 111.021 2.198 4.393 1.00 0.00 C ATOM 170 C LYS A 11 109.923 2.859 5.221 1.00 0.00 C ATOM 171 O LYS A 11 108.825 2.313 5.359 1.00 0.00 O ATOM 172 CB LYS A 11 110.950 2.689 2.945 1.00 0.00 C ATOM 173 CG LYS A 11 111.340 4.170 2.883 1.00 0.00 C ATOM 174 CD LYS A 11 111.339 4.634 1.433 1.00 0.00 C ATOM 175 CE LYS A 11 111.751 6.105 1.365 1.00 0.00 C ATOM 176 NZ LYS A 11 111.803 6.539 -0.059 1.00 0.00 N ATOM 0 H LYS A 11 110.710 0.303 3.545 1.00 0.00 H new ATOM 0 HA LYS A 11 111.994 2.468 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.619 2.100 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 11 109.942 2.551 2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.639 4.766 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.327 4.316 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.027 4.026 0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.348 4.503 0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.040 6.719 1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.725 6.243 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 112.083 7.539 -0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 112.497 5.960 -0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 110.865 6.421 -0.492 1.00 0.00 H new ATOM 190 N THR A 12 110.236 4.035 5.766 1.00 0.00 N ATOM 191 CA THR A 12 109.279 4.775 6.586 1.00 0.00 C ATOM 192 C THR A 12 109.217 6.238 6.159 1.00 0.00 C ATOM 193 O THR A 12 110.247 6.907 6.037 1.00 0.00 O ATOM 194 CB THR A 12 109.669 4.687 8.065 1.00 0.00 C ATOM 195 OG1 THR A 12 109.880 3.327 8.417 1.00 0.00 O ATOM 196 CG2 THR A 12 108.541 5.260 8.931 1.00 0.00 C ATOM 0 H THR A 12 111.141 4.493 5.655 1.00 0.00 H new ATOM 0 HA THR A 12 108.295 4.327 6.445 1.00 0.00 H new ATOM 0 HB THR A 12 110.583 5.258 8.231 1.00 0.00 H new ATOM 0 HG1 THR A 12 110.131 3.269 9.363 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.821 5.196 9.982 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.371 6.303 8.664 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.628 4.689 8.764 1.00 0.00 H new ATOM 204 N ILE A 13 107.998 6.719 5.947 1.00 0.00 N ATOM 205 CA ILE A 13 107.760 8.105 5.544 1.00 0.00 C ATOM 206 C ILE A 13 106.625 8.697 6.379 1.00 0.00 C ATOM 207 O ILE A 13 105.556 8.094 6.496 1.00 0.00 O ATOM 208 CB ILE A 13 107.413 8.169 4.043 1.00 0.00 C ATOM 209 CG1 ILE A 13 107.112 9.631 3.622 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.191 7.279 3.745 1.00 0.00 C ATOM 211 CD1 ILE A 13 106.999 9.737 2.095 1.00 0.00 C ATOM 0 H ILE A 13 107.148 6.164 6.048 1.00 0.00 H new ATOM 0 HA ILE A 13 108.665 8.688 5.714 1.00 0.00 H new ATOM 0 HB ILE A 13 108.268 7.806 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.184 9.966 4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.903 10.289 3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 13 105.954 7.331 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.417 6.248 4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.337 7.628 4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.788 10.769 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.937 9.423 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 13 106.192 9.094 1.744 1.00 0.00 H new ATOM 223 N THR A 14 106.858 9.893 6.917 1.00 0.00 N ATOM 224 CA THR A 14 105.839 10.574 7.705 1.00 0.00 C ATOM 225 C THR A 14 105.087 11.522 6.795 1.00 0.00 C ATOM 226 O THR A 14 105.696 12.351 6.111 1.00 0.00 O ATOM 227 CB THR A 14 106.456 11.349 8.869 1.00 0.00 C ATOM 228 OG1 THR A 14 107.324 10.495 9.605 1.00 0.00 O ATOM 229 CG2 THR A 14 105.342 11.861 9.790 1.00 0.00 C ATOM 0 H THR A 14 107.735 10.404 6.822 1.00 0.00 H new ATOM 0 HA THR A 14 105.163 9.832 8.129 1.00 0.00 H new ATOM 0 HB THR A 14 107.024 12.194 8.480 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.823 10.064 10.329 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.782 12.414 10.620 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.678 12.518 9.228 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.773 11.016 10.178 1.00 0.00 H new ATOM 237 N LEU A 15 103.774 11.353 6.753 1.00 0.00 N ATOM 238 CA LEU A 15 102.928 12.151 5.880 1.00 0.00 C ATOM 239 C LEU A 15 101.868 12.901 6.671 1.00 0.00 C ATOM 240 O LEU A 15 101.257 12.350 7.589 1.00 0.00 O ATOM 241 CB LEU A 15 102.262 11.218 4.863 1.00 0.00 C ATOM 242 CG LEU A 15 101.521 12.017 3.786 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.515 12.795 2.911 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.731 11.044 2.912 1.00 0.00 C ATOM 0 H LEU A 15 103.270 10.668 7.316 1.00 0.00 H new ATOM 0 HA LEU A 15 103.542 12.893 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 15 103.017 10.585 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.563 10.556 5.375 1.00 0.00 H new ATOM 0 HG LEU A 15 100.850 12.730 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.970 13.356 2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.085 13.485 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.197 12.097 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.198 11.599 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.416 10.337 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 15 100.015 10.501 3.528 1.00 0.00 H new ATOM 256 N GLU A 16 101.657 14.160 6.289 1.00 0.00 N ATOM 257 CA GLU A 16 100.666 15.001 6.938 1.00 0.00 C ATOM 258 C GLU A 16 99.417 15.089 6.079 1.00 0.00 C ATOM 259 O GLU A 16 99.479 15.538 4.932 1.00 0.00 O ATOM 260 CB GLU A 16 101.228 16.405 7.162 1.00 0.00 C ATOM 261 CG GLU A 16 102.332 16.355 8.227 1.00 0.00 C ATOM 262 CD GLU A 16 102.993 17.730 8.420 1.00 0.00 C ATOM 263 OE1 GLU A 16 102.543 18.698 7.821 1.00 0.00 O ATOM 264 OE2 GLU A 16 103.953 17.792 9.172 1.00 0.00 O ATOM 0 H GLU A 16 102.164 14.616 5.530 1.00 0.00 H new ATOM 0 HA GLU A 16 100.413 14.559 7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 16 101.627 16.801 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 16 100.433 17.079 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 16 101.910 16.017 9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 16 103.087 15.625 7.936 1.00 0.00 H new ATOM 271 N VAL A 17 98.291 14.649 6.634 1.00 0.00 N ATOM 272 CA VAL A 17 97.024 14.674 5.907 1.00 0.00 C ATOM 273 C VAL A 17 95.887 15.069 6.841 1.00 0.00 C ATOM 274 O VAL A 17 96.133 15.498 7.967 1.00 0.00 O ATOM 275 CB VAL A 17 96.744 13.295 5.277 1.00 0.00 C ATOM 276 CG1 VAL A 17 97.846 12.962 4.274 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.694 12.212 6.368 1.00 0.00 C ATOM 0 H VAL A 17 98.229 14.273 7.580 1.00 0.00 H new ATOM 0 HA VAL A 17 97.093 15.414 5.110 1.00 0.00 H new ATOM 0 HB VAL A 17 95.781 13.326 4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.649 11.987 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 17 97.868 13.721 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 17 98.808 12.940 4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.496 11.243 5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.650 12.177 6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 17 95.901 12.447 7.078 1.00 0.00 H new ATOM 287 N GLU A 18 94.648 14.913 6.371 1.00 0.00 N ATOM 288 CA GLU A 18 93.488 15.241 7.186 1.00 0.00 C ATOM 289 C GLU A 18 92.422 14.140 7.078 1.00 0.00 C ATOM 290 O GLU A 18 92.311 13.505 6.028 1.00 0.00 O ATOM 291 CB GLU A 18 92.885 16.581 6.762 1.00 0.00 C ATOM 292 CG GLU A 18 93.869 17.708 7.080 1.00 0.00 C ATOM 293 CD GLU A 18 93.235 19.057 6.760 1.00 0.00 C ATOM 294 OE1 GLU A 18 92.190 19.348 7.320 1.00 0.00 O ATOM 295 OE2 GLU A 18 93.804 19.781 5.959 1.00 0.00 O ATOM 0 H GLU A 18 94.428 14.564 5.438 1.00 0.00 H new ATOM 0 HA GLU A 18 93.820 15.316 8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.661 16.570 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 18 91.943 16.749 7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 18 94.151 17.670 8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 18 94.783 17.579 6.500 1.00 0.00 H new ATOM 302 N PRO A 19 91.629 13.900 8.123 1.00 0.00 N ATOM 303 CA PRO A 19 90.556 12.847 8.090 1.00 0.00 C ATOM 304 C PRO A 19 89.491 13.145 7.027 1.00 0.00 C ATOM 305 O PRO A 19 88.776 12.247 6.578 1.00 0.00 O ATOM 306 CB PRO A 19 89.952 12.897 9.497 1.00 0.00 C ATOM 307 CG PRO A 19 90.304 14.243 10.032 1.00 0.00 C ATOM 308 CD PRO A 19 91.653 14.585 9.435 1.00 0.00 C ATOM 0 HA PRO A 19 90.953 11.866 7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 19 88.871 12.757 9.466 1.00 0.00 H new ATOM 0 HB3 PRO A 19 90.358 12.105 10.127 1.00 0.00 H new ATOM 0 HG2 PRO A 19 89.554 14.983 9.753 1.00 0.00 H new ATOM 0 HG3 PRO A 19 90.350 14.231 11.121 1.00 0.00 H new ATOM 0 HD2 PRO A 19 91.782 15.662 9.324 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.472 14.228 10.060 1.00 0.00 H new ATOM 316 N SER A 20 89.412 14.416 6.633 1.00 0.00 N ATOM 317 CA SER A 20 88.454 14.853 5.614 1.00 0.00 C ATOM 318 C SER A 20 89.007 14.647 4.198 1.00 0.00 C ATOM 319 O SER A 20 88.246 14.671 3.226 1.00 0.00 O ATOM 320 CB SER A 20 88.126 16.335 5.812 1.00 0.00 C ATOM 321 OG SER A 20 89.315 17.102 5.670 1.00 0.00 O ATOM 0 H SER A 20 90.000 15.163 7.004 1.00 0.00 H new ATOM 0 HA SER A 20 87.553 14.250 5.725 1.00 0.00 H new ATOM 0 HB2 SER A 20 87.383 16.656 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 20 87.692 16.495 6.799 1.00 0.00 H new ATOM 0 HG SER A 20 89.108 18.052 5.794 1.00 0.00 H new ATOM 327 N ASP A 21 90.326 14.448 4.091 1.00 0.00 N ATOM 328 CA ASP A 21 90.967 14.245 2.796 1.00 0.00 C ATOM 329 C ASP A 21 90.681 12.848 2.274 1.00 0.00 C ATOM 330 O ASP A 21 90.546 11.901 3.055 1.00 0.00 O ATOM 331 CB ASP A 21 92.482 14.452 2.913 1.00 0.00 C ATOM 332 CG ASP A 21 92.819 15.914 3.237 1.00 0.00 C ATOM 333 OD1 ASP A 21 91.991 16.780 2.984 1.00 0.00 O ATOM 334 OD2 ASP A 21 93.907 16.148 3.736 1.00 0.00 O ATOM 0 H ASP A 21 90.965 14.424 4.886 1.00 0.00 H new ATOM 0 HA ASP A 21 90.560 14.974 2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 21 92.881 13.803 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 21 92.964 14.163 1.979 1.00 0.00 H new ATOM 339 N THR A 22 90.586 12.733 0.950 1.00 0.00 N ATOM 340 CA THR A 22 90.315 11.454 0.318 1.00 0.00 C ATOM 341 C THR A 22 91.607 10.680 0.104 1.00 0.00 C ATOM 342 O THR A 22 92.689 11.263 0.045 1.00 0.00 O ATOM 343 CB THR A 22 89.618 11.678 -1.027 1.00 0.00 C ATOM 344 OG1 THR A 22 90.266 12.731 -1.724 1.00 0.00 O ATOM 345 CG2 THR A 22 88.149 12.044 -0.794 1.00 0.00 C ATOM 0 H THR A 22 90.693 13.512 0.300 1.00 0.00 H new ATOM 0 HA THR A 22 89.664 10.873 0.972 1.00 0.00 H new ATOM 0 HB THR A 22 89.670 10.764 -1.618 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.822 12.875 -2.586 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.657 12.203 -1.754 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.652 11.233 -0.261 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.091 12.957 -0.201 1.00 0.00 H new ATOM 353 N ILE A 23 91.484 9.365 0.015 1.00 0.00 N ATOM 354 CA ILE A 23 92.651 8.499 -0.168 1.00 0.00 C ATOM 355 C ILE A 23 93.372 8.867 -1.463 1.00 0.00 C ATOM 356 O ILE A 23 94.603 8.965 -1.482 1.00 0.00 O ATOM 357 CB ILE A 23 92.227 7.012 -0.176 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.410 6.667 1.106 1.00 0.00 C ATOM 359 CG2 ILE A 23 93.466 6.102 -0.290 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.227 6.893 2.396 1.00 0.00 C ATOM 0 H ILE A 23 90.594 8.870 0.066 1.00 0.00 H new ATOM 0 HA ILE A 23 93.337 8.647 0.666 1.00 0.00 H new ATOM 0 HB ILE A 23 91.590 6.839 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.509 7.280 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 23 91.087 5.627 1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 23 93.152 5.058 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.997 6.325 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 23 94.126 6.278 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 23 91.616 6.639 3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 23 93.115 6.261 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 23 92.528 7.939 2.458 1.00 0.00 H new ATOM 372 N GLU A 24 92.602 9.091 -2.529 1.00 0.00 N ATOM 373 CA GLU A 24 93.184 9.469 -3.817 1.00 0.00 C ATOM 374 C GLU A 24 94.063 10.716 -3.661 1.00 0.00 C ATOM 375 O GLU A 24 95.120 10.825 -4.289 1.00 0.00 O ATOM 376 CB GLU A 24 92.063 9.752 -4.818 1.00 0.00 C ATOM 377 CG GLU A 24 92.662 9.999 -6.213 1.00 0.00 C ATOM 378 CD GLU A 24 91.558 10.162 -7.266 1.00 0.00 C ATOM 379 OE1 GLU A 24 91.858 10.010 -8.446 1.00 0.00 O ATOM 380 OE2 GLU A 24 90.436 10.444 -6.888 1.00 0.00 O ATOM 0 H GLU A 24 91.585 9.018 -2.527 1.00 0.00 H new ATOM 0 HA GLU A 24 93.803 8.648 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.372 8.910 -4.852 1.00 0.00 H new ATOM 0 HB3 GLU A 24 91.489 10.622 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 24 93.284 10.894 -6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 24 93.310 9.166 -6.487 1.00 0.00 H new ATOM 387 N ASN A 25 93.618 11.631 -2.801 1.00 0.00 N ATOM 388 CA ASN A 25 94.364 12.861 -2.531 1.00 0.00 C ATOM 389 C ASN A 25 95.667 12.546 -1.799 1.00 0.00 C ATOM 390 O ASN A 25 96.710 13.139 -2.085 1.00 0.00 O ATOM 391 CB ASN A 25 93.520 13.836 -1.699 1.00 0.00 C ATOM 392 CG ASN A 25 92.488 14.551 -2.579 1.00 0.00 C ATOM 393 OD1 ASN A 25 92.617 14.585 -3.807 1.00 0.00 O ATOM 394 ND2 ASN A 25 91.466 15.133 -2.021 1.00 0.00 N ATOM 0 H ASN A 25 92.746 11.545 -2.279 1.00 0.00 H new ATOM 0 HA ASN A 25 94.600 13.330 -3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.011 13.294 -0.901 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.169 14.570 -1.222 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.776 15.614 -2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.355 15.108 -1.007 1.00 0.00 H new ATOM 401 N VAL A 26 95.586 11.608 -0.850 1.00 0.00 N ATOM 402 CA VAL A 26 96.751 11.208 -0.054 1.00 0.00 C ATOM 403 C VAL A 26 97.848 10.636 -0.957 1.00 0.00 C ATOM 404 O VAL A 26 99.024 10.972 -0.791 1.00 0.00 O ATOM 405 CB VAL A 26 96.333 10.160 1.003 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.553 9.695 1.821 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.297 10.769 1.957 1.00 0.00 C ATOM 0 H VAL A 26 94.727 11.112 -0.614 1.00 0.00 H new ATOM 0 HA VAL A 26 97.145 12.089 0.453 1.00 0.00 H new ATOM 0 HB VAL A 26 95.904 9.303 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.237 8.958 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.289 9.247 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 26 97.997 10.550 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 26 95.006 10.026 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.729 11.634 2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.419 11.079 1.391 1.00 0.00 H new ATOM 417 N LYS A 27 97.460 9.751 -1.877 1.00 0.00 N ATOM 418 CA LYS A 27 98.435 9.117 -2.765 1.00 0.00 C ATOM 419 C LYS A 27 99.217 10.179 -3.531 1.00 0.00 C ATOM 420 O LYS A 27 100.444 10.101 -3.624 1.00 0.00 O ATOM 421 CB LYS A 27 97.734 8.176 -3.745 1.00 0.00 C ATOM 422 CG LYS A 27 97.156 6.987 -2.979 1.00 0.00 C ATOM 423 CD LYS A 27 96.417 6.064 -3.950 1.00 0.00 C ATOM 424 CE LYS A 27 95.777 4.915 -3.172 1.00 0.00 C ATOM 425 NZ LYS A 27 96.844 4.052 -2.593 1.00 0.00 N ATOM 0 H LYS A 27 96.494 9.461 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 27 99.128 8.535 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.939 8.706 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.439 7.829 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.955 6.440 -2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.475 7.337 -2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.652 6.623 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 27 97.110 5.672 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 27 95.142 5.308 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 27 95.137 4.328 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 96.423 3.169 -2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 97.548 3.832 -3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 97.307 4.552 -1.807 1.00 0.00 H new ATOM 439 N ALA A 28 98.502 11.169 -4.072 1.00 0.00 N ATOM 440 CA ALA A 28 99.145 12.247 -4.827 1.00 0.00 C ATOM 441 C ALA A 28 100.268 12.888 -4.010 1.00 0.00 C ATOM 442 O ALA A 28 101.347 13.163 -4.544 1.00 0.00 O ATOM 443 CB ALA A 28 98.111 13.313 -5.203 1.00 0.00 C ATOM 0 H ALA A 28 97.487 11.246 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 28 99.573 11.820 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.598 14.111 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.330 12.863 -5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.668 13.726 -4.297 1.00 0.00 H new ATOM 449 N LYS A 29 100.018 13.104 -2.714 1.00 0.00 N ATOM 450 CA LYS A 29 101.027 13.698 -1.834 1.00 0.00 C ATOM 451 C LYS A 29 102.251 12.792 -1.760 1.00 0.00 C ATOM 452 O LYS A 29 103.394 13.263 -1.806 1.00 0.00 O ATOM 453 CB LYS A 29 100.454 13.891 -0.424 1.00 0.00 C ATOM 454 CG LYS A 29 99.372 14.973 -0.446 1.00 0.00 C ATOM 455 CD LYS A 29 98.782 15.127 0.958 1.00 0.00 C ATOM 456 CE LYS A 29 97.723 16.232 0.954 1.00 0.00 C ATOM 457 NZ LYS A 29 97.158 16.385 2.324 1.00 0.00 N ATOM 0 H LYS A 29 99.135 12.879 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 29 101.315 14.667 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 29 100.035 12.953 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.249 14.173 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.795 15.920 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.588 14.706 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.338 14.186 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.571 15.369 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 29 98.165 17.172 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 29 96.930 15.987 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.438 17.136 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.722 15.489 2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 97.919 16.637 2.987 1.00 0.00 H new ATOM 471 N ILE A 30 101.995 11.486 -1.656 1.00 0.00 N ATOM 472 CA ILE A 30 103.063 10.495 -1.582 1.00 0.00 C ATOM 473 C ILE A 30 103.863 10.510 -2.884 1.00 0.00 C ATOM 474 O ILE A 30 105.088 10.424 -2.862 1.00 0.00 O ATOM 475 CB ILE A 30 102.472 9.094 -1.328 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.820 9.071 0.062 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.590 8.027 -1.375 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.960 7.808 0.222 1.00 0.00 C ATOM 0 H ILE A 30 101.054 11.093 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 30 103.727 10.742 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 30 101.733 8.873 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.590 9.096 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 30 101.203 9.960 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 30 103.160 7.042 -1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 30 104.065 8.041 -2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.333 8.245 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.503 7.802 1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 30 100.179 7.801 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.587 6.924 0.107 1.00 0.00 H new ATOM 490 N GLN A 31 103.157 10.599 -4.012 1.00 0.00 N ATOM 491 CA GLN A 31 103.808 10.603 -5.326 1.00 0.00 C ATOM 492 C GLN A 31 104.976 11.591 -5.347 1.00 0.00 C ATOM 493 O GLN A 31 106.038 11.289 -5.888 1.00 0.00 O ATOM 494 CB GLN A 31 102.788 10.986 -6.406 1.00 0.00 C ATOM 495 CG GLN A 31 103.420 10.872 -7.803 1.00 0.00 C ATOM 496 CD GLN A 31 102.459 11.394 -8.872 1.00 0.00 C ATOM 497 OE1 GLN A 31 101.258 11.549 -8.630 1.00 0.00 O ATOM 498 NE2 GLN A 31 102.923 11.685 -10.054 1.00 0.00 N ATOM 0 H GLN A 31 102.140 10.669 -4.044 1.00 0.00 H new ATOM 0 HA GLN A 31 104.195 9.604 -5.526 1.00 0.00 H new ATOM 0 HB2 GLN A 31 101.916 10.335 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.438 12.005 -6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 31 104.350 11.439 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 31 103.673 9.832 -8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 31 103.914 11.558 -10.258 1.00 0.00 H new ATOM 0 HE22 GLN A 31 102.295 12.039 -10.775 1.00 0.00 H new ATOM 507 N ASP A 32 104.759 12.766 -4.768 1.00 0.00 N ATOM 508 CA ASP A 32 105.794 13.800 -4.730 1.00 0.00 C ATOM 509 C ASP A 32 106.975 13.402 -3.832 1.00 0.00 C ATOM 510 O ASP A 32 108.118 13.759 -4.124 1.00 0.00 O ATOM 511 CB ASP A 32 105.191 15.113 -4.230 1.00 0.00 C ATOM 512 CG ASP A 32 104.560 15.867 -5.397 1.00 0.00 C ATOM 513 OD1 ASP A 32 105.236 16.049 -6.395 1.00 0.00 O ATOM 514 OD2 ASP A 32 103.406 16.248 -5.275 1.00 0.00 O ATOM 0 H ASP A 32 103.881 13.029 -4.320 1.00 0.00 H new ATOM 0 HA ASP A 32 106.175 13.922 -5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 32 104.440 14.912 -3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 32 105.963 15.725 -3.764 1.00 0.00 H new ATOM 519 N LYS A 33 106.690 12.696 -2.732 1.00 0.00 N ATOM 520 CA LYS A 33 107.745 12.294 -1.788 1.00 0.00 C ATOM 521 C LYS A 33 108.526 11.056 -2.233 1.00 0.00 C ATOM 522 O LYS A 33 109.755 11.024 -2.108 1.00 0.00 O ATOM 523 CB LYS A 33 107.146 12.026 -0.407 1.00 0.00 C ATOM 524 CG LYS A 33 106.700 13.345 0.222 1.00 0.00 C ATOM 525 CD LYS A 33 106.059 13.079 1.584 1.00 0.00 C ATOM 526 CE LYS A 33 105.586 14.401 2.191 1.00 0.00 C ATOM 527 NZ LYS A 33 106.762 15.285 2.429 1.00 0.00 N ATOM 0 H LYS A 33 105.751 12.393 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 33 108.446 13.128 -1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.298 11.347 -0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 33 107.882 11.537 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.555 14.011 0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 33 105.989 13.848 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.217 12.395 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 33 106.777 12.598 2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 33 104.880 14.890 1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 33 105.060 14.216 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 106.513 16.014 3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 107.556 14.717 2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 107.039 15.742 1.537 1.00 0.00 H new ATOM 541 N GLU A 34 107.819 10.036 -2.722 1.00 0.00 N ATOM 542 CA GLU A 34 108.462 8.793 -3.148 1.00 0.00 C ATOM 543 C GLU A 34 108.677 8.742 -4.661 1.00 0.00 C ATOM 544 O GLU A 34 109.377 7.851 -5.155 1.00 0.00 O ATOM 545 CB GLU A 34 107.597 7.598 -2.718 1.00 0.00 C ATOM 546 CG GLU A 34 107.626 7.455 -1.191 1.00 0.00 C ATOM 547 CD GLU A 34 106.760 6.270 -0.740 1.00 0.00 C ATOM 548 OE1 GLU A 34 107.096 5.138 -1.070 1.00 0.00 O ATOM 549 OE2 GLU A 34 105.776 6.511 -0.066 1.00 0.00 O ATOM 0 H GLU A 34 106.805 10.046 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 34 109.442 8.749 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.571 7.739 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 34 107.966 6.684 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 34 108.652 7.311 -0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 34 107.264 8.373 -0.728 1.00 0.00 H new ATOM 556 N GLY A 35 108.097 9.698 -5.390 1.00 0.00 N ATOM 557 CA GLY A 35 108.245 9.747 -6.839 1.00 0.00 C ATOM 558 C GLY A 35 107.533 8.580 -7.520 1.00 0.00 C ATOM 559 O GLY A 35 107.896 8.210 -8.641 1.00 0.00 O ATOM 0 H GLY A 35 107.523 10.445 -4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 35 107.842 10.688 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.304 9.728 -7.097 1.00 0.00 H new ATOM 563 N ILE A 36 106.536 7.988 -6.843 1.00 0.00 N ATOM 564 CA ILE A 36 105.807 6.848 -7.418 1.00 0.00 C ATOM 565 C ILE A 36 104.345 7.229 -7.728 1.00 0.00 C ATOM 566 O ILE A 36 103.675 7.821 -6.876 1.00 0.00 O ATOM 567 CB ILE A 36 105.843 5.629 -6.479 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.306 5.277 -6.157 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.177 4.424 -7.169 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.363 4.321 -4.964 1.00 0.00 C ATOM 0 H ILE A 36 106.221 8.273 -5.916 1.00 0.00 H new ATOM 0 HA ILE A 36 106.306 6.580 -8.349 1.00 0.00 H new ATOM 0 HB ILE A 36 105.307 5.866 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.778 4.817 -7.025 1.00 0.00 H new ATOM 0 HG13 ILE A 36 107.866 6.185 -5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.204 3.562 -6.502 1.00 0.00 H new ATOM 0 HG22 ILE A 36 104.141 4.667 -7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 36 105.714 4.188 -8.088 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.402 4.077 -4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 36 106.909 4.797 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.819 3.407 -5.203 1.00 0.00 H new ATOM 582 N PRO A 37 103.830 6.901 -8.915 1.00 0.00 N ATOM 583 CA PRO A 37 102.426 7.237 -9.293 1.00 0.00 C ATOM 584 C PRO A 37 101.389 6.669 -8.303 1.00 0.00 C ATOM 585 O PRO A 37 101.615 5.602 -7.721 1.00 0.00 O ATOM 586 CB PRO A 37 102.245 6.619 -10.686 1.00 0.00 C ATOM 587 CG PRO A 37 103.351 5.631 -10.835 1.00 0.00 C ATOM 588 CD PRO A 37 104.507 6.186 -10.021 1.00 0.00 C ATOM 0 HA PRO A 37 102.263 8.315 -9.280 1.00 0.00 H new ATOM 0 HB2 PRO A 37 101.273 6.135 -10.776 1.00 0.00 H new ATOM 0 HB3 PRO A 37 102.294 7.382 -11.463 1.00 0.00 H new ATOM 0 HG2 PRO A 37 103.051 4.649 -10.470 1.00 0.00 H new ATOM 0 HG3 PRO A 37 103.631 5.511 -11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 37 105.156 5.392 -9.650 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.130 6.857 -10.612 1.00 0.00 H new ATOM 596 N PRO A 38 100.257 7.347 -8.099 1.00 0.00 N ATOM 597 CA PRO A 38 99.190 6.866 -7.161 1.00 0.00 C ATOM 598 C PRO A 38 98.587 5.531 -7.605 1.00 0.00 C ATOM 599 O PRO A 38 98.189 4.716 -6.769 1.00 0.00 O ATOM 600 CB PRO A 38 98.135 7.982 -7.186 1.00 0.00 C ATOM 601 CG PRO A 38 98.374 8.739 -8.447 1.00 0.00 C ATOM 602 CD PRO A 38 99.865 8.631 -8.729 1.00 0.00 C ATOM 0 HA PRO A 38 99.586 6.678 -6.163 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.127 7.568 -7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 38 98.232 8.631 -6.316 1.00 0.00 H new ATOM 0 HG2 PRO A 38 97.791 8.322 -9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 38 98.072 9.781 -8.339 1.00 0.00 H new ATOM 0 HD2 PRO A 38 100.070 8.629 -9.800 1.00 0.00 H new ATOM 0 HD3 PRO A 38 100.414 9.470 -8.301 1.00 0.00 H new ATOM 610 N ASP A 39 98.524 5.325 -8.921 1.00 0.00 N ATOM 611 CA ASP A 39 97.966 4.093 -9.482 1.00 0.00 C ATOM 612 C ASP A 39 98.812 2.875 -9.114 1.00 0.00 C ATOM 613 O ASP A 39 98.276 1.784 -8.906 1.00 0.00 O ATOM 614 CB ASP A 39 97.878 4.207 -11.006 1.00 0.00 C ATOM 615 CG ASP A 39 96.945 3.134 -11.559 1.00 0.00 C ATOM 616 OD1 ASP A 39 97.070 1.994 -11.141 1.00 0.00 O ATOM 617 OD2 ASP A 39 96.117 3.467 -12.391 1.00 0.00 O ATOM 0 H ASP A 39 98.852 5.994 -9.618 1.00 0.00 H new ATOM 0 HA ASP A 39 96.970 3.958 -9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 39 97.513 5.196 -11.284 1.00 0.00 H new ATOM 0 HB3 ASP A 39 98.870 4.099 -11.444 1.00 0.00 H new ATOM 622 N GLN A 40 100.134 3.064 -9.054 1.00 0.00 N ATOM 623 CA GLN A 40 101.049 1.963 -8.731 1.00 0.00 C ATOM 624 C GLN A 40 101.167 1.734 -7.217 1.00 0.00 C ATOM 625 O GLN A 40 101.903 0.844 -6.781 1.00 0.00 O ATOM 626 CB GLN A 40 102.437 2.259 -9.313 1.00 0.00 C ATOM 627 CG GLN A 40 103.232 0.953 -9.445 1.00 0.00 C ATOM 628 CD GLN A 40 104.607 1.209 -10.053 1.00 0.00 C ATOM 629 OE1 GLN A 40 104.806 2.197 -10.763 1.00 0.00 O ATOM 630 NE2 GLN A 40 105.575 0.368 -9.815 1.00 0.00 N ATOM 0 H GLN A 40 100.592 3.960 -9.223 1.00 0.00 H new ATOM 0 HA GLN A 40 100.639 1.055 -9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.339 2.736 -10.288 1.00 0.00 H new ATOM 0 HB3 GLN A 40 102.971 2.957 -8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.344 0.491 -8.464 1.00 0.00 H new ATOM 0 HG3 GLN A 40 102.680 0.249 -10.068 1.00 0.00 H new ATOM 0 HE21 GLN A 40 105.408 -0.449 -9.227 1.00 0.00 H new ATOM 0 HE22 GLN A 40 106.499 0.527 -10.217 1.00 0.00 H new ATOM 639 N GLN A 41 100.446 2.532 -6.421 1.00 0.00 N ATOM 640 CA GLN A 41 100.496 2.402 -4.966 1.00 0.00 C ATOM 641 C GLN A 41 99.120 2.101 -4.390 1.00 0.00 C ATOM 642 O GLN A 41 98.138 2.777 -4.707 1.00 0.00 O ATOM 643 CB GLN A 41 101.029 3.690 -4.347 1.00 0.00 C ATOM 644 CG GLN A 41 102.489 3.879 -4.750 1.00 0.00 C ATOM 645 CD GLN A 41 102.986 5.238 -4.274 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.403 6.266 -4.616 1.00 0.00 O ATOM 647 NE2 GLN A 41 104.042 5.304 -3.514 1.00 0.00 N ATOM 0 H GLN A 41 99.826 3.268 -6.759 1.00 0.00 H new ATOM 0 HA GLN A 41 101.161 1.572 -4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.435 4.540 -4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 41 100.942 3.648 -3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 41 103.100 3.087 -4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.589 3.804 -5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.522 4.449 -3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.389 6.211 -3.200 1.00 0.00 H new ATOM 656 N ARG A 42 99.074 1.086 -3.532 1.00 0.00 N ATOM 657 CA ARG A 42 97.834 0.682 -2.878 1.00 0.00 C ATOM 658 C ARG A 42 98.033 0.720 -1.374 1.00 0.00 C ATOM 659 O ARG A 42 98.967 0.101 -0.854 1.00 0.00 O ATOM 660 CB ARG A 42 97.450 -0.736 -3.305 1.00 0.00 C ATOM 661 CG ARG A 42 97.058 -0.737 -4.780 1.00 0.00 C ATOM 662 CD ARG A 42 96.856 -2.173 -5.249 1.00 0.00 C ATOM 663 NE ARG A 42 98.143 -2.874 -5.246 1.00 0.00 N ATOM 664 CZ ARG A 42 98.290 -4.142 -5.668 1.00 0.00 C ATOM 665 NH1 ARG A 42 97.276 -4.839 -6.127 1.00 0.00 N ATOM 666 NH2 ARG A 42 99.470 -4.694 -5.622 1.00 0.00 N ATOM 0 H ARG A 42 99.886 0.526 -3.273 1.00 0.00 H new ATOM 0 HA ARG A 42 97.035 1.366 -3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.286 -1.416 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.620 -1.098 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.143 -0.163 -4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 42 97.834 -0.254 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 42 96.150 -2.684 -4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 42 96.427 -2.183 -6.251 1.00 0.00 H new ATOM 0 HE ARG A 42 98.966 -2.376 -4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 42 96.347 -4.420 -6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 42 97.417 -5.799 -6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 42 100.267 -4.165 -5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 42 99.596 -5.655 -5.939 1.00 0.00 H new ATOM 680 N LEU A 43 97.176 1.466 -0.681 1.00 0.00 N ATOM 681 CA LEU A 43 97.278 1.597 0.768 1.00 0.00 C ATOM 682 C LEU A 43 96.247 0.727 1.477 1.00 0.00 C ATOM 683 O LEU A 43 95.062 0.748 1.136 1.00 0.00 O ATOM 684 CB LEU A 43 97.058 3.059 1.166 1.00 0.00 C ATOM 685 CG LEU A 43 98.257 3.912 0.723 1.00 0.00 C ATOM 686 CD1 LEU A 43 97.881 5.396 0.785 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.444 3.658 1.661 1.00 0.00 C ATOM 0 H LEU A 43 96.405 1.987 -1.099 1.00 0.00 H new ATOM 0 HA LEU A 43 98.273 1.268 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 43 96.144 3.436 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 43 96.927 3.135 2.245 1.00 0.00 H new ATOM 0 HG LEU A 43 98.530 3.643 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.732 6.000 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 43 97.037 5.585 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.606 5.659 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 43 100.293 4.264 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 43 99.166 3.926 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.717 2.603 1.625 1.00 0.00 H new ATOM 699 N ILE A 44 96.715 -0.013 2.482 1.00 0.00 N ATOM 700 CA ILE A 44 95.846 -0.875 3.276 1.00 0.00 C ATOM 701 C ILE A 44 95.989 -0.509 4.745 1.00 0.00 C ATOM 702 O ILE A 44 97.096 -0.323 5.256 1.00 0.00 O ATOM 703 CB ILE A 44 96.163 -2.365 3.054 1.00 0.00 C ATOM 704 CG1 ILE A 44 95.915 -2.704 1.574 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.249 -3.241 3.948 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.324 -4.149 1.279 1.00 0.00 C ATOM 0 H ILE A 44 97.695 -0.031 2.765 1.00 0.00 H new ATOM 0 HA ILE A 44 94.816 -0.718 2.957 1.00 0.00 H new ATOM 0 HB ILE A 44 97.202 -2.563 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 44 94.861 -2.562 1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.481 -2.023 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.480 -4.293 3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.417 -2.991 4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.205 -3.055 3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.142 -4.371 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.384 -4.279 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 44 95.738 -4.827 1.900 1.00 0.00 H new ATOM 718 N PHE A 45 94.844 -0.421 5.399 1.00 0.00 N ATOM 719 CA PHE A 45 94.788 -0.081 6.811 1.00 0.00 C ATOM 720 C PHE A 45 93.986 -1.129 7.572 1.00 0.00 C ATOM 721 O PHE A 45 92.895 -1.508 7.155 1.00 0.00 O ATOM 722 CB PHE A 45 94.151 1.306 6.986 1.00 0.00 C ATOM 723 CG PHE A 45 94.148 1.704 8.454 1.00 0.00 C ATOM 724 CD1 PHE A 45 95.359 1.938 9.119 1.00 0.00 C ATOM 725 CD2 PHE A 45 92.935 1.832 9.144 1.00 0.00 C ATOM 726 CE1 PHE A 45 95.356 2.303 10.470 1.00 0.00 C ATOM 727 CE2 PHE A 45 92.934 2.196 10.494 1.00 0.00 C ATOM 728 CZ PHE A 45 94.144 2.429 11.158 1.00 0.00 C ATOM 0 H PHE A 45 93.932 -0.582 4.970 1.00 0.00 H new ATOM 0 HA PHE A 45 95.801 -0.060 7.213 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.703 2.043 6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 45 93.131 1.296 6.603 1.00 0.00 H new ATOM 0 HD1 PHE A 45 96.295 1.837 8.589 1.00 0.00 H new ATOM 0 HD2 PHE A 45 92.001 1.650 8.633 1.00 0.00 H new ATOM 0 HE1 PHE A 45 96.289 2.487 10.982 1.00 0.00 H new ATOM 0 HE2 PHE A 45 91.999 2.297 11.025 1.00 0.00 H new ATOM 0 HZ PHE A 45 94.142 2.706 12.202 1.00 0.00 H new ATOM 738 N ALA A 46 94.555 -1.578 8.687 1.00 0.00 N ATOM 739 CA ALA A 46 93.920 -2.595 9.536 1.00 0.00 C ATOM 740 C ALA A 46 93.489 -3.825 8.719 1.00 0.00 C ATOM 741 O ALA A 46 92.570 -4.550 9.117 1.00 0.00 O ATOM 742 CB ALA A 46 92.701 -2.008 10.259 1.00 0.00 C ATOM 0 H ALA A 46 95.460 -1.255 9.030 1.00 0.00 H new ATOM 0 HA ALA A 46 94.660 -2.912 10.271 1.00 0.00 H new ATOM 0 HB1 ALA A 46 92.244 -2.776 10.883 1.00 0.00 H new ATOM 0 HB2 ALA A 46 93.016 -1.172 10.884 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.976 -1.658 9.524 1.00 0.00 H new ATOM 748 N GLY A 47 94.168 -4.069 7.591 1.00 0.00 N ATOM 749 CA GLY A 47 93.857 -5.222 6.739 1.00 0.00 C ATOM 750 C GLY A 47 92.745 -4.931 5.722 1.00 0.00 C ATOM 751 O GLY A 47 92.189 -5.864 5.133 1.00 0.00 O ATOM 0 H GLY A 47 94.932 -3.486 7.249 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.758 -5.528 6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.557 -6.061 7.367 1.00 0.00 H new ATOM 755 N LYS A 48 92.423 -3.647 5.516 1.00 0.00 N ATOM 756 CA LYS A 48 91.370 -3.268 4.565 1.00 0.00 C ATOM 757 C LYS A 48 91.931 -2.349 3.483 1.00 0.00 C ATOM 758 O LYS A 48 92.796 -1.517 3.757 1.00 0.00 O ATOM 759 CB LYS A 48 90.219 -2.552 5.291 1.00 0.00 C ATOM 760 CG LYS A 48 89.679 -3.431 6.433 1.00 0.00 C ATOM 761 CD LYS A 48 88.377 -2.838 6.977 1.00 0.00 C ATOM 762 CE LYS A 48 88.682 -1.571 7.780 1.00 0.00 C ATOM 763 NZ LYS A 48 87.472 -1.152 8.537 1.00 0.00 N ATOM 0 H LYS A 48 92.870 -2.862 5.989 1.00 0.00 H new ATOM 0 HA LYS A 48 90.992 -4.180 4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 48 90.568 -1.600 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.419 -2.328 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 48 89.504 -4.444 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.418 -3.500 7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 48 87.701 -2.605 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 48 87.870 -3.567 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.507 -1.755 8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 48 88.998 -0.772 7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 87.684 -0.291 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 86.696 -0.959 7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 87.189 -1.912 9.188 1.00 0.00 H new ATOM 777 N GLN A 49 91.420 -2.497 2.259 1.00 0.00 N ATOM 778 CA GLN A 49 91.864 -1.664 1.140 1.00 0.00 C ATOM 779 C GLN A 49 91.188 -0.297 1.190 1.00 0.00 C ATOM 780 O GLN A 49 89.958 -0.198 1.214 1.00 0.00 O ATOM 781 CB GLN A 49 91.530 -2.341 -0.183 1.00 0.00 C ATOM 782 CG GLN A 49 92.217 -1.591 -1.324 1.00 0.00 C ATOM 783 CD GLN A 49 91.890 -2.253 -2.655 1.00 0.00 C ATOM 784 OE1 GLN A 49 91.735 -3.472 -2.724 1.00 0.00 O ATOM 785 NE2 GLN A 49 91.773 -1.518 -3.727 1.00 0.00 N ATOM 0 H GLN A 49 90.703 -3.181 2.018 1.00 0.00 H new ATOM 0 HA GLN A 49 92.943 -1.533 1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 49 91.859 -3.380 -0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 49 90.451 -2.351 -0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 49 91.890 -0.551 -1.336 1.00 0.00 H new ATOM 0 HG3 GLN A 49 93.296 -1.584 -1.168 1.00 0.00 H new ATOM 0 HE21 GLN A 49 91.902 -0.508 -3.669 1.00 0.00 H new ATOM 0 HE22 GLN A 49 91.553 -1.954 -4.623 1.00 0.00 H new ATOM 794 N LEU A 50 92.013 0.746 1.192 1.00 0.00 N ATOM 795 CA LEU A 50 91.517 2.116 1.238 1.00 0.00 C ATOM 796 C LEU A 50 91.091 2.570 -0.146 1.00 0.00 C ATOM 797 O LEU A 50 91.931 2.838 -1.007 1.00 0.00 O ATOM 798 CB LEU A 50 92.613 3.040 1.783 1.00 0.00 C ATOM 799 CG LEU A 50 93.026 2.595 3.196 1.00 0.00 C ATOM 800 CD1 LEU A 50 94.222 3.422 3.656 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.862 2.808 4.174 1.00 0.00 C ATOM 0 H LEU A 50 93.030 0.667 1.162 1.00 0.00 H new ATOM 0 HA LEU A 50 90.650 2.159 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.478 3.021 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 50 92.253 4.069 1.808 1.00 0.00 H new ATOM 0 HG LEU A 50 93.290 1.538 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.517 3.109 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 50 95.054 3.272 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.950 4.477 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 50 92.163 2.490 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.593 3.864 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 50 91.003 2.221 3.850 1.00 0.00 H new ATOM 813 N GLU A 51 89.778 2.630 -0.349 1.00 0.00 N ATOM 814 CA GLU A 51 89.219 3.025 -1.636 1.00 0.00 C ATOM 815 C GLU A 51 89.510 4.494 -1.924 1.00 0.00 C ATOM 816 O GLU A 51 89.397 5.341 -1.036 1.00 0.00 O ATOM 817 CB GLU A 51 87.711 2.793 -1.640 1.00 0.00 C ATOM 818 CG GLU A 51 87.166 2.922 -3.069 1.00 0.00 C ATOM 819 CD GLU A 51 85.654 2.662 -3.102 1.00 0.00 C ATOM 820 OE1 GLU A 51 85.130 2.075 -2.161 1.00 0.00 O ATOM 821 OE2 GLU A 51 85.033 3.064 -4.071 1.00 0.00 O ATOM 0 H GLU A 51 89.081 2.410 0.363 1.00 0.00 H new ATOM 0 HA GLU A 51 89.684 2.418 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 51 87.486 1.803 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 51 87.221 3.516 -0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 51 87.376 3.920 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 51 87.676 2.214 -3.723 1.00 0.00 H new ATOM 828 N ASP A 52 89.911 4.770 -3.164 1.00 0.00 N ATOM 829 CA ASP A 52 90.246 6.130 -3.580 1.00 0.00 C ATOM 830 C ASP A 52 89.048 7.068 -3.440 1.00 0.00 C ATOM 831 O ASP A 52 89.209 8.228 -3.046 1.00 0.00 O ATOM 832 CB ASP A 52 90.727 6.121 -5.032 1.00 0.00 C ATOM 833 CG ASP A 52 92.220 5.793 -5.099 1.00 0.00 C ATOM 834 OD1 ASP A 52 92.960 6.299 -4.270 1.00 0.00 O ATOM 835 OD2 ASP A 52 92.600 5.044 -5.983 1.00 0.00 O ATOM 0 H ASP A 52 90.012 4.069 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 52 91.040 6.497 -2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 52 90.161 5.386 -5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 52 90.541 7.093 -5.489 1.00 0.00 H new ATOM 840 N GLY A 53 87.856 6.560 -3.771 1.00 0.00 N ATOM 841 CA GLY A 53 86.626 7.358 -3.694 1.00 0.00 C ATOM 842 C GLY A 53 86.108 7.511 -2.259 1.00 0.00 C ATOM 843 O GLY A 53 85.035 8.088 -2.049 1.00 0.00 O ATOM 0 H GLY A 53 87.716 5.603 -4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.812 8.346 -4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.855 6.890 -4.306 1.00 0.00 H new ATOM 847 N ARG A 54 86.865 7.001 -1.280 1.00 0.00 N ATOM 848 CA ARG A 54 86.475 7.098 0.126 1.00 0.00 C ATOM 849 C ARG A 54 87.434 8.003 0.884 1.00 0.00 C ATOM 850 O ARG A 54 88.566 8.228 0.449 1.00 0.00 O ATOM 851 CB ARG A 54 86.454 5.716 0.771 1.00 0.00 C ATOM 852 CG ARG A 54 85.258 4.929 0.239 1.00 0.00 C ATOM 853 CD ARG A 54 85.201 3.558 0.912 1.00 0.00 C ATOM 854 NE ARG A 54 84.027 2.819 0.437 1.00 0.00 N ATOM 855 CZ ARG A 54 82.829 2.887 1.047 1.00 0.00 C ATOM 856 NH1 ARG A 54 82.640 3.633 2.112 1.00 0.00 N ATOM 857 NH2 ARG A 54 81.832 2.197 0.568 1.00 0.00 N ATOM 0 H ARG A 54 87.749 6.518 -1.438 1.00 0.00 H new ATOM 0 HA ARG A 54 85.474 7.526 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.380 5.185 0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.390 5.809 1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.336 5.477 0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.340 4.811 -0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 54 86.109 2.997 0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 54 85.154 3.676 1.995 1.00 0.00 H new ATOM 0 HE ARG A 54 84.122 2.229 -0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 54 83.412 4.179 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 54 81.722 3.666 2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 54 81.965 1.615 -0.259 1.00 0.00 H new ATOM 0 HH22 ARG A 54 80.919 2.239 1.020 1.00 0.00 H new ATOM 871 N THR A 55 86.964 8.523 2.017 1.00 0.00 N ATOM 872 CA THR A 55 87.774 9.417 2.842 1.00 0.00 C ATOM 873 C THR A 55 88.340 8.687 4.054 1.00 0.00 C ATOM 874 O THR A 55 87.850 7.624 4.439 1.00 0.00 O ATOM 875 CB THR A 55 86.942 10.620 3.304 1.00 0.00 C ATOM 876 OG1 THR A 55 85.712 10.162 3.844 1.00 0.00 O ATOM 877 CG2 THR A 55 86.668 11.555 2.119 1.00 0.00 C ATOM 0 H THR A 55 86.030 8.341 2.383 1.00 0.00 H new ATOM 0 HA THR A 55 88.606 9.769 2.232 1.00 0.00 H new ATOM 0 HB THR A 55 87.495 11.168 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.183 9.736 3.138 1.00 0.00 H new ATOM 0 HG21 THR A 55 86.077 12.406 2.456 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.614 11.910 1.709 1.00 0.00 H new ATOM 0 HG23 THR A 55 86.119 11.014 1.348 1.00 0.00 H new ATOM 885 N LEU A 56 89.392 9.266 4.632 1.00 0.00 N ATOM 886 CA LEU A 56 90.060 8.676 5.789 1.00 0.00 C ATOM 887 C LEU A 56 89.102 8.551 6.970 1.00 0.00 C ATOM 888 O LEU A 56 89.113 7.536 7.672 1.00 0.00 O ATOM 889 CB LEU A 56 91.262 9.541 6.187 1.00 0.00 C ATOM 890 CG LEU A 56 92.350 9.459 5.105 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.377 10.573 5.325 1.00 0.00 C ATOM 892 CD2 LEU A 56 93.067 8.103 5.181 1.00 0.00 C ATOM 0 H LEU A 56 89.800 10.146 4.316 1.00 0.00 H new ATOM 0 HA LEU A 56 90.400 7.677 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 56 90.947 10.576 6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.662 9.204 7.143 1.00 0.00 H new ATOM 0 HG LEU A 56 91.882 9.570 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.148 10.514 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 56 92.881 11.542 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.834 10.458 6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.836 8.054 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.529 7.990 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.346 7.301 5.025 1.00 0.00 H new ATOM 904 N SER A 57 88.278 9.579 7.184 1.00 0.00 N ATOM 905 CA SER A 57 87.316 9.564 8.289 1.00 0.00 C ATOM 906 C SER A 57 86.337 8.399 8.135 1.00 0.00 C ATOM 907 O SER A 57 85.867 7.840 9.129 1.00 0.00 O ATOM 908 CB SER A 57 86.542 10.880 8.337 1.00 0.00 C ATOM 909 OG SER A 57 85.728 10.989 7.178 1.00 0.00 O ATOM 0 H SER A 57 88.257 10.424 6.614 1.00 0.00 H new ATOM 0 HA SER A 57 87.870 9.440 9.219 1.00 0.00 H new ATOM 0 HB2 SER A 57 85.924 10.919 9.234 1.00 0.00 H new ATOM 0 HB3 SER A 57 87.234 11.720 8.390 1.00 0.00 H new ATOM 0 HG SER A 57 85.229 11.832 7.207 1.00 0.00 H new ATOM 915 N ASP A 58 86.039 8.044 6.882 1.00 0.00 N ATOM 916 CA ASP A 58 85.121 6.945 6.588 1.00 0.00 C ATOM 917 C ASP A 58 85.720 5.587 6.964 1.00 0.00 C ATOM 918 O ASP A 58 84.990 4.600 7.080 1.00 0.00 O ATOM 919 CB ASP A 58 84.761 6.955 5.098 1.00 0.00 C ATOM 920 CG ASP A 58 83.864 8.156 4.773 1.00 0.00 C ATOM 921 OD1 ASP A 58 83.747 8.490 3.600 1.00 0.00 O ATOM 922 OD2 ASP A 58 83.313 8.731 5.696 1.00 0.00 O ATOM 0 H ASP A 58 86.422 8.503 6.056 1.00 0.00 H new ATOM 0 HA ASP A 58 84.224 7.092 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 58 85.670 6.999 4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 58 84.250 6.029 4.835 1.00 0.00 H new ATOM 927 N TYR A 59 87.042 5.543 7.144 1.00 0.00 N ATOM 928 CA TYR A 59 87.725 4.298 7.503 1.00 0.00 C ATOM 929 C TYR A 59 88.083 4.244 8.988 1.00 0.00 C ATOM 930 O TYR A 59 88.833 3.356 9.403 1.00 0.00 O ATOM 931 CB TYR A 59 89.006 4.142 6.670 1.00 0.00 C ATOM 932 CG TYR A 59 88.682 3.533 5.323 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.486 2.152 5.216 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.585 4.345 4.188 1.00 0.00 C ATOM 935 CE1 TYR A 59 88.187 1.585 3.974 1.00 0.00 C ATOM 936 CE2 TYR A 59 88.284 3.777 2.944 1.00 0.00 C ATOM 937 CZ TYR A 59 88.089 2.396 2.838 1.00 0.00 C ATOM 938 OH TYR A 59 87.797 1.832 1.615 1.00 0.00 O ATOM 0 H TYR A 59 87.658 6.350 7.048 1.00 0.00 H new ATOM 0 HA TYR A 59 87.035 3.481 7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.480 5.114 6.533 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.719 3.511 7.201 1.00 0.00 H new ATOM 0 HD1 TYR A 59 88.566 1.525 6.092 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.742 5.410 4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.031 0.519 3.891 1.00 0.00 H new ATOM 0 HE2 TYR A 59 88.203 4.404 2.068 1.00 0.00 H new ATOM 0 HH TYR A 59 88.396 1.074 1.453 1.00 0.00 H new ATOM 948 N ASN A 60 87.551 5.176 9.794 1.00 0.00 N ATOM 949 CA ASN A 60 87.838 5.192 11.227 1.00 0.00 C ATOM 950 C ASN A 60 89.347 5.301 11.473 1.00 0.00 C ATOM 951 O ASN A 60 89.937 4.505 12.214 1.00 0.00 O ATOM 952 CB ASN A 60 87.274 3.921 11.885 1.00 0.00 C ATOM 953 CG ASN A 60 85.766 3.852 11.683 1.00 0.00 C ATOM 954 OD1 ASN A 60 85.049 4.800 12.006 1.00 0.00 O ATOM 955 ND2 ASN A 60 85.237 2.779 11.160 1.00 0.00 N ATOM 0 H ASN A 60 86.927 5.918 9.478 1.00 0.00 H new ATOM 0 HA ASN A 60 87.359 6.063 11.673 1.00 0.00 H new ATOM 0 HB2 ASN A 60 87.747 3.039 11.454 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.507 3.920 12.950 1.00 0.00 H new ATOM 0 HD21 ASN A 60 84.228 2.725 11.018 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.832 1.995 10.893 1.00 0.00 H new ATOM 962 N ILE A 61 89.963 6.307 10.848 1.00 0.00 N ATOM 963 CA ILE A 61 91.400 6.539 10.998 1.00 0.00 C ATOM 964 C ILE A 61 91.612 7.782 11.858 1.00 0.00 C ATOM 965 O ILE A 61 91.065 8.847 11.561 1.00 0.00 O ATOM 966 CB ILE A 61 92.064 6.726 9.616 1.00 0.00 C ATOM 967 CG1 ILE A 61 91.815 5.479 8.746 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.581 6.925 9.789 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.169 5.781 7.284 1.00 0.00 C ATOM 0 H ILE A 61 89.490 6.972 10.235 1.00 0.00 H new ATOM 0 HA ILE A 61 91.859 5.676 11.480 1.00 0.00 H new ATOM 0 HB ILE A 61 91.633 7.603 9.132 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.416 4.646 9.110 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.771 5.176 8.821 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.045 7.056 8.811 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.765 7.809 10.399 1.00 0.00 H new ATOM 0 HG23 ILE A 61 94.009 6.050 10.279 1.00 0.00 H new ATOM 0 HD11 ILE A 61 91.990 4.894 6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.549 6.601 6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.220 6.063 7.215 1.00 0.00 H new ATOM 981 N GLN A 62 92.395 7.627 12.924 1.00 0.00 N ATOM 982 CA GLN A 62 92.665 8.731 13.838 1.00 0.00 C ATOM 983 C GLN A 62 94.065 9.304 13.607 1.00 0.00 C ATOM 984 O GLN A 62 94.769 8.902 12.679 1.00 0.00 O ATOM 985 CB GLN A 62 92.520 8.244 15.287 1.00 0.00 C ATOM 986 CG GLN A 62 91.053 7.899 15.567 1.00 0.00 C ATOM 987 CD GLN A 62 90.884 7.409 17.003 1.00 0.00 C ATOM 988 OE1 GLN A 62 91.699 6.629 17.496 1.00 0.00 O ATOM 989 NE2 GLN A 62 89.866 7.824 17.707 1.00 0.00 N ATOM 0 H GLN A 62 92.852 6.750 13.174 1.00 0.00 H new ATOM 0 HA GLN A 62 91.943 9.526 13.649 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.148 7.369 15.452 1.00 0.00 H new ATOM 0 HB3 GLN A 62 92.861 9.016 15.977 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.429 8.777 15.400 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.715 7.130 14.872 1.00 0.00 H new ATOM 0 HE21 GLN A 62 89.192 8.470 17.297 1.00 0.00 H new ATOM 0 HE22 GLN A 62 89.745 7.502 18.667 1.00 0.00 H new ATOM 998 N LYS A 63 94.449 10.244 14.472 1.00 0.00 N ATOM 999 CA LYS A 63 95.754 10.892 14.396 1.00 0.00 C ATOM 1000 C LYS A 63 96.872 9.912 14.728 1.00 0.00 C ATOM 1001 O LYS A 63 96.710 9.040 15.586 1.00 0.00 O ATOM 1002 CB LYS A 63 95.792 12.056 15.380 1.00 0.00 C ATOM 1003 CG LYS A 63 94.833 13.148 14.906 1.00 0.00 C ATOM 1004 CD LYS A 63 94.880 14.332 15.872 1.00 0.00 C ATOM 1005 CE LYS A 63 93.948 15.437 15.370 1.00 0.00 C ATOM 1006 NZ LYS A 63 93.973 16.584 16.323 1.00 0.00 N ATOM 0 H LYS A 63 93.865 10.575 15.241 1.00 0.00 H new ATOM 0 HA LYS A 63 95.905 11.252 13.378 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.510 11.715 16.376 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.805 12.452 15.454 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.106 13.474 13.902 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.818 12.754 14.848 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.579 14.013 16.870 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.899 14.710 15.952 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.260 15.767 14.379 1.00 0.00 H new ATOM 0 HE3 LYS A 63 92.932 15.054 15.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 93.339 17.334 15.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 93.656 16.264 17.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 94.942 16.955 16.394 1.00 0.00 H new ATOM 1020 N GLU A 64 98.003 10.070 14.039 1.00 0.00 N ATOM 1021 CA GLU A 64 99.161 9.203 14.247 1.00 0.00 C ATOM 1022 C GLU A 64 98.782 7.732 14.062 1.00 0.00 C ATOM 1023 O GLU A 64 98.433 7.032 15.019 1.00 0.00 O ATOM 1024 CB GLU A 64 99.744 9.430 15.643 1.00 0.00 C ATOM 1025 CG GLU A 64 100.408 10.813 15.718 1.00 0.00 C ATOM 1026 CD GLU A 64 100.919 11.110 17.140 1.00 0.00 C ATOM 1027 OE1 GLU A 64 100.764 10.269 18.019 1.00 0.00 O ATOM 1028 OE2 GLU A 64 101.460 12.186 17.329 1.00 0.00 O ATOM 0 H GLU A 64 98.141 10.792 13.331 1.00 0.00 H new ATOM 0 HA GLU A 64 99.916 9.455 13.503 1.00 0.00 H new ATOM 0 HB2 GLU A 64 98.955 9.355 16.392 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.475 8.654 15.871 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.238 10.859 15.013 1.00 0.00 H new ATOM 0 HG3 GLU A 64 99.693 11.579 15.418 1.00 0.00 H new ATOM 1035 N SER A 65 98.856 7.280 12.812 1.00 0.00 N ATOM 1036 CA SER A 65 98.533 5.898 12.472 1.00 0.00 C ATOM 1037 C SER A 65 99.530 5.376 11.450 1.00 0.00 C ATOM 1038 O SER A 65 100.085 6.153 10.669 1.00 0.00 O ATOM 1039 CB SER A 65 97.113 5.811 11.913 1.00 0.00 C ATOM 1040 OG SER A 65 96.728 4.447 11.824 1.00 0.00 O ATOM 0 H SER A 65 99.138 7.853 12.017 1.00 0.00 H new ATOM 0 HA SER A 65 98.591 5.287 13.372 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.422 6.355 12.557 1.00 0.00 H new ATOM 0 HB3 SER A 65 97.067 6.279 10.930 1.00 0.00 H new ATOM 0 HG SER A 65 96.159 4.318 11.036 1.00 0.00 H new ATOM 1046 N THR A 66 99.758 4.061 11.460 1.00 0.00 N ATOM 1047 CA THR A 66 100.703 3.451 10.528 1.00 0.00 C ATOM 1048 C THR A 66 99.968 2.751 9.389 1.00 0.00 C ATOM 1049 O THR A 66 99.214 1.801 9.613 1.00 0.00 O ATOM 1050 CB THR A 66 101.587 2.443 11.268 1.00 0.00 C ATOM 1051 OG1 THR A 66 102.139 3.061 12.423 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.723 1.982 10.351 1.00 0.00 C ATOM 0 H THR A 66 99.305 3.405 12.097 1.00 0.00 H new ATOM 0 HA THR A 66 101.325 4.240 10.105 1.00 0.00 H new ATOM 0 HB THR A 66 100.986 1.582 11.561 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.704 2.418 12.900 1.00 0.00 H new ATOM 0 HG21 THR A 66 103.350 1.265 10.881 1.00 0.00 H new ATOM 0 HG22 THR A 66 102.304 1.511 9.462 1.00 0.00 H new ATOM 0 HG23 THR A 66 103.325 2.842 10.057 1.00 0.00 H new ATOM 1060 N LEU A 67 100.206 3.235 8.171 1.00 0.00 N ATOM 1061 CA LEU A 67 99.583 2.667 6.980 1.00 0.00 C ATOM 1062 C LEU A 67 100.572 1.778 6.238 1.00 0.00 C ATOM 1063 O LEU A 67 101.768 2.068 6.200 1.00 0.00 O ATOM 1064 CB LEU A 67 99.113 3.790 6.050 1.00 0.00 C ATOM 1065 CG LEU A 67 97.968 4.572 6.707 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.765 5.896 5.967 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.672 3.759 6.634 1.00 0.00 C ATOM 0 H LEU A 67 100.828 4.022 7.984 1.00 0.00 H new ATOM 0 HA LEU A 67 98.727 2.068 7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.943 4.461 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.780 3.371 5.100 1.00 0.00 H new ATOM 0 HG LEU A 67 98.221 4.763 7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.952 6.452 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.681 6.484 6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.517 5.696 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.863 4.320 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.422 3.565 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.807 2.812 7.157 1.00 0.00 H new ATOM 1079 N HIS A 68 100.055 0.704 5.644 1.00 0.00 N ATOM 1080 CA HIS A 68 100.892 -0.227 4.894 1.00 0.00 C ATOM 1081 C HIS A 68 100.846 0.098 3.411 1.00 0.00 C ATOM 1082 O HIS A 68 99.774 0.109 2.805 1.00 0.00 O ATOM 1083 CB HIS A 68 100.413 -1.664 5.118 1.00 0.00 C ATOM 1084 CG HIS A 68 100.737 -2.087 6.523 1.00 0.00 C ATOM 1085 ND1 HIS A 68 102.039 -2.143 6.993 1.00 0.00 N ATOM 1086 CD2 HIS A 68 99.942 -2.477 7.573 1.00 0.00 C ATOM 1087 CE1 HIS A 68 101.994 -2.551 8.272 1.00 0.00 C ATOM 1088 NE2 HIS A 68 100.739 -2.770 8.677 1.00 0.00 N ATOM 0 H HIS A 68 99.065 0.459 5.668 1.00 0.00 H new ATOM 0 HA HIS A 68 101.918 -0.130 5.248 1.00 0.00 H new ATOM 0 HB2 HIS A 68 99.339 -1.732 4.945 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.894 -2.334 4.405 1.00 0.00 H new ATOM 0 HD2 HIS A 68 98.865 -2.546 7.547 1.00 0.00 H new ATOM 0 HE1 HIS A 68 102.865 -2.686 8.896 1.00 0.00 H new ATOM 0 HE2 HIS A 68 100.431 -3.084 9.597 1.00 0.00 H new ATOM 1096 N LEU A 69 102.018 0.364 2.837 1.00 0.00 N ATOM 1097 CA LEU A 69 102.118 0.686 1.419 1.00 0.00 C ATOM 1098 C LEU A 69 102.600 -0.531 0.642 1.00 0.00 C ATOM 1099 O LEU A 69 103.561 -1.195 1.045 1.00 0.00 O ATOM 1100 CB LEU A 69 103.094 1.843 1.193 1.00 0.00 C ATOM 1101 CG LEU A 69 103.010 2.311 -0.271 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.756 3.163 -0.468 1.00 0.00 C ATOM 1103 CD2 LEU A 69 104.248 3.140 -0.625 1.00 0.00 C ATOM 0 H LEU A 69 102.909 0.362 3.333 1.00 0.00 H new ATOM 0 HA LEU A 69 101.129 0.981 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.856 2.669 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 69 104.110 1.526 1.426 1.00 0.00 H new ATOM 0 HG LEU A 69 102.963 1.437 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.699 3.493 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.873 2.572 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.801 4.033 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.182 3.468 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.302 4.011 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 69 105.143 2.532 -0.493 1.00 0.00 H new ATOM 1115 N VAL A 70 101.942 -0.801 -0.480 1.00 0.00 N ATOM 1116 CA VAL A 70 102.301 -1.922 -1.338 1.00 0.00 C ATOM 1117 C VAL A 70 102.488 -1.383 -2.753 1.00 0.00 C ATOM 1118 O VAL A 70 101.834 -0.405 -3.126 1.00 0.00 O ATOM 1119 CB VAL A 70 101.182 -2.989 -1.325 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.596 -4.189 -2.187 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.923 -3.462 0.114 1.00 0.00 C ATOM 0 H VAL A 70 101.151 -0.253 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 70 103.218 -2.390 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 70 100.271 -2.548 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.803 -4.937 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.767 -3.859 -3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.513 -4.624 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 70 100.133 -4.213 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.835 -3.895 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.616 -2.614 0.726 1.00 0.00 H new ATOM 1131 N LEU A 71 103.371 -2.009 -3.532 1.00 0.00 N ATOM 1132 CA LEU A 71 103.615 -1.564 -4.905 1.00 0.00 C ATOM 1133 C LEU A 71 102.978 -2.534 -5.890 1.00 0.00 C ATOM 1134 O LEU A 71 103.179 -3.749 -5.794 1.00 0.00 O ATOM 1135 CB LEU A 71 105.116 -1.466 -5.179 1.00 0.00 C ATOM 1136 CG LEU A 71 105.355 -0.698 -6.491 1.00 0.00 C ATOM 1137 CD1 LEU A 71 105.131 0.802 -6.263 1.00 0.00 C ATOM 1138 CD2 LEU A 71 106.792 -0.923 -6.969 1.00 0.00 C ATOM 0 H LEU A 71 103.923 -2.816 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 71 103.169 -0.577 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.614 -0.958 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.549 -2.464 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 71 104.657 -1.062 -7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.301 1.341 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 71 104.107 0.970 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.825 1.162 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 71 106.956 -0.377 -7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.488 -0.565 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 71 106.956 -1.987 -7.139 1.00 0.00 H new ATOM 1150 N ARG A 72 102.214 -1.987 -6.838 1.00 0.00 N ATOM 1151 CA ARG A 72 101.545 -2.804 -7.840 1.00 0.00 C ATOM 1152 C ARG A 72 102.295 -2.723 -9.171 1.00 0.00 C ATOM 1153 O ARG A 72 102.014 -1.860 -10.006 1.00 0.00 O ATOM 1154 CB ARG A 72 100.099 -2.328 -8.016 1.00 0.00 C ATOM 1155 CG ARG A 72 99.363 -3.269 -8.973 1.00 0.00 C ATOM 1156 CD ARG A 72 97.950 -2.751 -9.199 1.00 0.00 C ATOM 1157 NE ARG A 72 97.174 -3.724 -9.973 1.00 0.00 N ATOM 1158 CZ ARG A 72 95.899 -3.507 -10.342 1.00 0.00 C ATOM 1159 NH1 ARG A 72 95.270 -2.395 -10.029 1.00 0.00 N ATOM 1160 NH2 ARG A 72 95.271 -4.420 -11.027 1.00 0.00 N ATOM 0 H ARG A 72 102.047 -0.985 -6.929 1.00 0.00 H new ATOM 0 HA ARG A 72 101.538 -3.842 -7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 72 99.593 -2.305 -7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 72 100.085 -1.311 -8.407 1.00 0.00 H new ATOM 0 HG2 ARG A 72 99.896 -3.331 -9.922 1.00 0.00 H new ATOM 0 HG3 ARG A 72 99.331 -4.277 -8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 72 97.464 -2.567 -8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 72 97.984 -1.798 -9.728 1.00 0.00 H new ATOM 0 HE ARG A 72 97.619 -4.601 -10.243 1.00 0.00 H new ATOM 0 HH11 ARG A 72 95.749 -1.671 -9.494 1.00 0.00 H new ATOM 0 HH12 ARG A 72 94.303 -2.256 -10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 72 95.746 -5.287 -11.277 1.00 0.00 H new ATOM 0 HH22 ARG A 72 94.304 -4.268 -11.313 1.00 0.00 H new ATOM 1174 N LEU A 73 103.240 -3.637 -9.353 1.00 0.00 N ATOM 1175 CA LEU A 73 104.033 -3.680 -10.577 1.00 0.00 C ATOM 1176 C LEU A 73 103.196 -4.222 -11.728 1.00 0.00 C ATOM 1177 O LEU A 73 102.314 -5.060 -11.522 1.00 0.00 O ATOM 1178 CB LEU A 73 105.267 -4.563 -10.372 1.00 0.00 C ATOM 1179 CG LEU A 73 106.247 -3.870 -9.416 1.00 0.00 C ATOM 1180 CD1 LEU A 73 107.283 -4.884 -8.928 1.00 0.00 C ATOM 1181 CD2 LEU A 73 106.968 -2.731 -10.147 1.00 0.00 C ATOM 0 H LEU A 73 103.476 -4.357 -8.671 1.00 0.00 H new ATOM 0 HA LEU A 73 104.355 -2.667 -10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 73 104.970 -5.530 -9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 73 105.752 -4.754 -11.329 1.00 0.00 H new ATOM 0 HG LEU A 73 105.694 -3.466 -8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 73 107.980 -4.394 -8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 73 106.779 -5.697 -8.406 1.00 0.00 H new ATOM 0 HD13 LEU A 73 107.830 -5.285 -9.781 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.663 -2.242 -9.464 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.519 -3.135 -10.997 1.00 0.00 H new ATOM 0 HD23 LEU A 73 106.236 -2.005 -10.501 1.00 0.00 H new ATOM 1193 N ARG A 74 103.491 -3.745 -12.936 1.00 0.00 N ATOM 1194 CA ARG A 74 102.774 -4.188 -14.125 1.00 0.00 C ATOM 1195 C ARG A 74 103.275 -5.561 -14.560 1.00 0.00 C ATOM 1196 O ARG A 74 104.453 -5.883 -14.386 1.00 0.00 O ATOM 1197 CB ARG A 74 102.967 -3.179 -15.261 1.00 0.00 C ATOM 1198 CG ARG A 74 102.302 -1.851 -14.883 1.00 0.00 C ATOM 1199 CD ARG A 74 102.555 -0.819 -15.981 1.00 0.00 C ATOM 1200 NE ARG A 74 101.894 -1.236 -17.223 1.00 0.00 N ATOM 1201 CZ ARG A 74 102.372 -0.933 -18.445 1.00 0.00 C ATOM 1202 NH1 ARG A 74 103.470 -0.230 -18.601 1.00 0.00 N ATOM 1203 NH2 ARG A 74 101.730 -1.350 -19.500 1.00 0.00 N ATOM 0 H ARG A 74 104.220 -3.054 -13.115 1.00 0.00 H new ATOM 0 HA ARG A 74 101.712 -4.258 -13.888 1.00 0.00 H new ATOM 0 HB2 ARG A 74 104.030 -3.025 -15.449 1.00 0.00 H new ATOM 0 HB3 ARG A 74 102.533 -3.566 -16.183 1.00 0.00 H new ATOM 0 HG2 ARG A 74 101.230 -1.996 -14.746 1.00 0.00 H new ATOM 0 HG3 ARG A 74 102.699 -1.491 -13.934 1.00 0.00 H new ATOM 0 HD2 ARG A 74 102.180 0.156 -15.669 1.00 0.00 H new ATOM 0 HD3 ARG A 74 103.626 -0.709 -16.149 1.00 0.00 H new ATOM 0 HE ARG A 74 101.034 -1.780 -17.158 1.00 0.00 H new ATOM 0 HH11 ARG A 74 103.984 0.101 -17.784 1.00 0.00 H new ATOM 0 HH12 ARG A 74 103.809 -0.015 -19.539 1.00 0.00 H new ATOM 0 HH21 ARG A 74 100.877 -1.899 -19.394 1.00 0.00 H new ATOM 0 HH22 ARG A 74 102.081 -1.128 -20.432 1.00 0.00 H new ATOM 1217 N GLY A 75 102.368 -6.362 -15.125 1.00 0.00 N ATOM 1218 CA GLY A 75 102.712 -7.707 -15.587 1.00 0.00 C ATOM 1219 C GLY A 75 101.937 -8.764 -14.811 1.00 0.00 C ATOM 1220 O GLY A 75 101.238 -8.445 -13.845 1.00 0.00 O ATOM 0 H GLY A 75 101.393 -6.102 -15.273 1.00 0.00 H new ATOM 0 HA2 GLY A 75 102.492 -7.797 -16.651 1.00 0.00 H new ATOM 0 HA3 GLY A 75 103.782 -7.874 -15.467 1.00 0.00 H new ATOM 1224 N GLY A 76 102.066 -10.020 -15.242 1.00 0.00 N ATOM 1225 CA GLY A 76 101.373 -11.129 -14.591 1.00 0.00 C ATOM 1226 C GLY A 76 99.884 -11.101 -14.911 1.00 0.00 C ATOM 1227 O GLY A 76 99.543 -11.269 -16.070 1.00 0.00 O ATOM 1228 OXT GLY A 76 99.105 -10.912 -13.992 1.00 0.00 O ATOM 0 H GLY A 76 102.643 -10.293 -16.038 1.00 0.00 H new ATOM 0 HA2 GLY A 76 101.802 -12.075 -14.920 1.00 0.00 H new ATOM 0 HA3 GLY A 76 101.519 -11.071 -13.512 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 115.704 -15.172 -8.594 1.00 0.00 N ATOM 1234 CA GLN B 198 115.615 -14.605 -7.219 1.00 0.00 C ATOM 1235 C GLN B 198 114.470 -13.600 -7.167 1.00 0.00 C ATOM 1236 O GLN B 198 114.472 -12.601 -7.892 1.00 0.00 O ATOM 1237 CB GLN B 198 116.944 -13.919 -6.866 1.00 0.00 C ATOM 1238 CG GLN B 198 116.945 -13.510 -5.388 1.00 0.00 C ATOM 1239 CD GLN B 198 118.259 -12.818 -5.024 1.00 0.00 C ATOM 1240 OE1 GLN B 198 118.747 -11.968 -5.770 1.00 0.00 O ATOM 1241 NE2 GLN B 198 118.862 -13.134 -3.908 1.00 0.00 N ATOM 0 HA GLN B 198 115.425 -15.399 -6.497 1.00 0.00 H new ATOM 0 HB2 GLN B 198 117.776 -14.594 -7.066 1.00 0.00 H new ATOM 0 HB3 GLN B 198 117.088 -13.041 -7.495 1.00 0.00 H new ATOM 0 HG2 GLN B 198 116.108 -12.841 -5.189 1.00 0.00 H new ATOM 0 HG3 GLN B 198 116.805 -14.391 -4.761 1.00 0.00 H new ATOM 0 HE21 GLN B 198 118.457 -13.838 -3.291 1.00 0.00 H new ATOM 0 HE22 GLN B 198 119.738 -12.676 -3.654 1.00 0.00 H new ATOM 1250 N VAL B 199 113.487 -13.882 -6.313 1.00 0.00 N ATOM 1251 CA VAL B 199 112.323 -13.015 -6.158 1.00 0.00 C ATOM 1252 C VAL B 199 112.190 -12.581 -4.701 1.00 0.00 C ATOM 1253 O VAL B 199 112.417 -13.377 -3.785 1.00 0.00 O ATOM 1254 CB VAL B 199 111.039 -13.741 -6.606 1.00 0.00 C ATOM 1255 CG1 VAL B 199 111.086 -14.023 -8.113 1.00 0.00 C ATOM 1256 CG2 VAL B 199 110.895 -15.071 -5.854 1.00 0.00 C ATOM 0 H VAL B 199 113.475 -14.709 -5.716 1.00 0.00 H new ATOM 0 HA VAL B 199 112.461 -12.135 -6.787 1.00 0.00 H new ATOM 0 HB VAL B 199 110.187 -13.099 -6.383 1.00 0.00 H new ATOM 0 HG11 VAL B 199 110.173 -14.536 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL B 199 111.171 -13.082 -8.657 1.00 0.00 H new ATOM 0 HG13 VAL B 199 111.947 -14.652 -8.339 1.00 0.00 H new ATOM 0 HG21 VAL B 199 109.985 -15.576 -6.178 1.00 0.00 H new ATOM 0 HG22 VAL B 199 111.756 -15.704 -6.067 1.00 0.00 H new ATOM 0 HG23 VAL B 199 110.842 -14.879 -4.782 1.00 0.00 H new ATOM 1266 N THR B 200 111.831 -11.314 -4.502 1.00 0.00 N ATOM 1267 CA THR B 200 111.668 -10.764 -3.158 1.00 0.00 C ATOM 1268 C THR B 200 110.349 -11.238 -2.556 1.00 0.00 C ATOM 1269 O THR B 200 109.478 -11.744 -3.267 1.00 0.00 O ATOM 1270 CB THR B 200 111.690 -9.231 -3.213 1.00 0.00 C ATOM 1271 OG1 THR B 200 110.801 -8.784 -4.227 1.00 0.00 O ATOM 1272 CG2 THR B 200 113.109 -8.744 -3.529 1.00 0.00 C ATOM 0 H THR B 200 111.648 -10.650 -5.254 1.00 0.00 H new ATOM 0 HA THR B 200 112.491 -11.112 -2.533 1.00 0.00 H new ATOM 0 HB THR B 200 111.378 -8.831 -2.248 1.00 0.00 H new ATOM 0 HG1 THR B 200 110.625 -7.827 -4.109 1.00 0.00 H new ATOM 0 HG21 THR B 200 113.120 -7.655 -3.567 1.00 0.00 H new ATOM 0 HG22 THR B 200 113.793 -9.087 -2.752 1.00 0.00 H new ATOM 0 HG23 THR B 200 113.425 -9.144 -4.493 1.00 0.00 H new ATOM 1280 N LYS B 201 110.214 -11.061 -1.243 1.00 0.00 N ATOM 1281 CA LYS B 201 109.004 -11.460 -0.536 1.00 0.00 C ATOM 1282 C LYS B 201 108.534 -10.345 0.390 1.00 0.00 C ATOM 1283 O LYS B 201 109.343 -9.584 0.924 1.00 0.00 O ATOM 1284 CB LYS B 201 109.268 -12.737 0.265 1.00 0.00 C ATOM 1285 CG LYS B 201 109.481 -13.905 -0.702 1.00 0.00 C ATOM 1286 CD LYS B 201 109.826 -15.168 0.086 1.00 0.00 C ATOM 1287 CE LYS B 201 110.055 -16.328 -0.886 1.00 0.00 C ATOM 1288 NZ LYS B 201 110.419 -17.550 -0.116 1.00 0.00 N ATOM 0 H LYS B 201 110.930 -10.643 -0.649 1.00 0.00 H new ATOM 0 HA LYS B 201 108.219 -11.654 -1.267 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.146 -12.608 0.897 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.427 -12.946 0.926 1.00 0.00 H new ATOM 0 HG2 LYS B 201 108.581 -14.069 -1.294 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.284 -13.670 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS B 201 110.720 -15.002 0.688 1.00 0.00 H new ATOM 0 HD3 LYS B 201 109.018 -15.411 0.776 1.00 0.00 H new ATOM 0 HE2 LYS B 201 109.155 -16.509 -1.473 1.00 0.00 H new ATOM 0 HE3 LYS B 201 110.849 -16.077 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 110.575 -18.341 -0.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 111.289 -17.373 0.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 109.647 -17.791 0.538 1.00 0.00 H new ATOM 1302 N VAL B 202 107.218 -10.266 0.566 1.00 0.00 N ATOM 1303 CA VAL B 202 106.613 -9.253 1.430 1.00 0.00 C ATOM 1304 C VAL B 202 105.475 -9.863 2.239 1.00 0.00 C ATOM 1305 O VAL B 202 104.665 -10.625 1.708 1.00 0.00 O ATOM 1306 CB VAL B 202 106.096 -8.069 0.600 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.276 -7.372 -0.090 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.097 -8.555 -0.464 1.00 0.00 C ATOM 0 H VAL B 202 106.547 -10.893 0.121 1.00 0.00 H new ATOM 0 HA VAL B 202 107.377 -8.886 2.115 1.00 0.00 H new ATOM 0 HB VAL B 202 105.591 -7.369 1.265 1.00 0.00 H new ATOM 0 HG11 VAL B 202 106.908 -6.532 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL B 202 107.975 -7.009 0.663 1.00 0.00 H new ATOM 0 HG13 VAL B 202 107.784 -8.080 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL B 202 104.740 -7.704 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL B 202 105.590 -9.265 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.253 -9.041 0.025 1.00 0.00 H new ATOM 1318 N ASP B 203 105.436 -9.529 3.528 1.00 0.00 N ATOM 1319 CA ASP B 203 104.410 -10.051 4.425 1.00 0.00 C ATOM 1320 C ASP B 203 103.048 -9.447 4.103 1.00 0.00 C ATOM 1321 O ASP B 203 102.967 -8.308 3.634 1.00 0.00 O ATOM 1322 CB ASP B 203 104.784 -9.726 5.873 1.00 0.00 C ATOM 1323 CG ASP B 203 106.054 -10.472 6.270 1.00 0.00 C ATOM 1324 OD1 ASP B 203 106.162 -11.640 5.938 1.00 0.00 O ATOM 1325 OD2 ASP B 203 106.901 -9.862 6.905 1.00 0.00 O ATOM 0 H ASP B 203 106.104 -8.899 3.973 1.00 0.00 H new ATOM 0 HA ASP B 203 104.350 -11.131 4.291 1.00 0.00 H new ATOM 0 HB2 ASP B 203 104.934 -8.652 5.985 1.00 0.00 H new ATOM 0 HB3 ASP B 203 103.967 -10.005 6.538 1.00 0.00 H new ATOM 1330 N CYS B 204 101.977 -10.209 4.372 1.00 0.00 N ATOM 1331 CA CYS B 204 100.621 -9.711 4.112 1.00 0.00 C ATOM 1332 C CYS B 204 100.062 -9.003 5.368 1.00 0.00 C ATOM 1333 O CYS B 204 100.019 -9.610 6.432 1.00 0.00 O ATOM 1334 CB CYS B 204 99.675 -10.842 3.708 1.00 0.00 C ATOM 1335 SG CYS B 204 98.023 -10.175 3.338 1.00 0.00 S ATOM 0 H CYS B 204 102.021 -11.151 4.761 1.00 0.00 H new ATOM 0 HA CYS B 204 100.685 -9.003 3.286 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.069 -11.362 2.835 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.608 -11.575 4.512 1.00 0.00 H new ATOM 1340 N PRO B 205 99.626 -7.746 5.286 1.00 0.00 N ATOM 1341 CA PRO B 205 99.073 -7.013 6.481 1.00 0.00 C ATOM 1342 C PRO B 205 97.656 -7.484 6.865 1.00 0.00 C ATOM 1343 O PRO B 205 97.125 -7.106 7.912 1.00 0.00 O ATOM 1344 CB PRO B 205 99.055 -5.545 6.036 1.00 0.00 C ATOM 1345 CG PRO B 205 98.985 -5.567 4.543 1.00 0.00 C ATOM 1346 CD PRO B 205 99.599 -6.886 4.078 1.00 0.00 C ATOM 0 HA PRO B 205 99.675 -7.189 7.372 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.199 -5.020 6.459 1.00 0.00 H new ATOM 0 HB3 PRO B 205 99.949 -5.023 6.377 1.00 0.00 H new ATOM 0 HG2 PRO B 205 97.952 -5.484 4.206 1.00 0.00 H new ATOM 0 HG3 PRO B 205 99.527 -4.721 4.121 1.00 0.00 H new ATOM 0 HD2 PRO B 205 99.005 -7.339 3.284 1.00 0.00 H new ATOM 0 HD3 PRO B 205 100.602 -6.735 3.679 1.00 0.00 H new ATOM 1354 N VAL B 206 97.057 -8.287 5.986 1.00 0.00 N ATOM 1355 CA VAL B 206 95.695 -8.806 6.167 1.00 0.00 C ATOM 1356 C VAL B 206 95.693 -10.116 6.921 1.00 0.00 C ATOM 1357 O VAL B 206 94.886 -10.331 7.832 1.00 0.00 O ATOM 1358 CB VAL B 206 95.078 -9.115 4.786 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.600 -9.532 4.929 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.189 -7.913 3.842 1.00 0.00 C ATOM 0 H VAL B 206 97.502 -8.599 5.123 1.00 0.00 H new ATOM 0 HA VAL B 206 95.137 -8.049 6.718 1.00 0.00 H new ATOM 0 HB VAL B 206 95.642 -9.943 4.356 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.185 -9.745 3.944 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.532 -10.424 5.552 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.037 -8.722 5.392 1.00 0.00 H new ATOM 0 HG21 VAL B 206 94.745 -8.165 2.879 1.00 0.00 H new ATOM 0 HG22 VAL B 206 94.662 -7.062 4.273 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.239 -7.656 3.702 1.00 0.00 H new ATOM 1370 N CYS B 207 96.544 -11.020 6.458 1.00 0.00 N ATOM 1371 CA CYS B 207 96.604 -12.359 7.002 1.00 0.00 C ATOM 1372 C CYS B 207 98.000 -12.732 7.500 1.00 0.00 C ATOM 1373 O CYS B 207 98.157 -13.726 8.211 1.00 0.00 O ATOM 1374 CB CYS B 207 96.127 -13.305 5.893 1.00 0.00 C ATOM 1375 SG CYS B 207 97.434 -13.599 4.664 1.00 0.00 S ATOM 0 H CYS B 207 97.205 -10.844 5.701 1.00 0.00 H new ATOM 0 HA CYS B 207 95.965 -12.433 7.882 1.00 0.00 H new ATOM 0 HB2 CYS B 207 95.817 -14.254 6.331 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.252 -12.880 5.401 1.00 0.00 H new ATOM 1380 N GLY B 208 98.998 -11.937 7.119 1.00 0.00 N ATOM 1381 CA GLY B 208 100.366 -12.202 7.529 1.00 0.00 C ATOM 1382 C GLY B 208 100.839 -13.546 7.005 1.00 0.00 C ATOM 1383 O GLY B 208 100.924 -14.519 7.756 1.00 0.00 O ATOM 0 H GLY B 208 98.882 -11.111 6.531 1.00 0.00 H new ATOM 0 HA2 GLY B 208 101.020 -11.412 7.159 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.433 -12.188 8.617 1.00 0.00 H new ATOM 1387 N VAL B 209 101.150 -13.583 5.711 1.00 0.00 N ATOM 1388 CA VAL B 209 101.638 -14.795 5.066 1.00 0.00 C ATOM 1389 C VAL B 209 102.811 -14.443 4.153 1.00 0.00 C ATOM 1390 O VAL B 209 102.774 -13.436 3.438 1.00 0.00 O ATOM 1391 CB VAL B 209 100.500 -15.469 4.273 1.00 0.00 C ATOM 1392 CG1 VAL B 209 101.029 -16.649 3.445 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.445 -15.983 5.257 1.00 0.00 C ATOM 0 H VAL B 209 101.071 -12.780 5.087 1.00 0.00 H new ATOM 0 HA VAL B 209 101.982 -15.501 5.822 1.00 0.00 H new ATOM 0 HB VAL B 209 100.067 -14.735 3.593 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.206 -17.106 2.896 1.00 0.00 H new ATOM 0 HG12 VAL B 209 101.781 -16.292 2.741 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.477 -17.388 4.109 1.00 0.00 H new ATOM 0 HG21 VAL B 209 98.636 -16.462 4.706 1.00 0.00 H new ATOM 0 HG22 VAL B 209 99.900 -16.706 5.934 1.00 0.00 H new ATOM 0 HG23 VAL B 209 99.047 -15.148 5.833 1.00 0.00 H new ATOM 1403 N ASN B 210 103.832 -15.298 4.172 1.00 0.00 N ATOM 1404 CA ASN B 210 105.000 -15.097 3.328 1.00 0.00 C ATOM 1405 C ASN B 210 104.593 -15.301 1.881 1.00 0.00 C ATOM 1406 O ASN B 210 104.037 -16.346 1.528 1.00 0.00 O ATOM 1407 CB ASN B 210 106.100 -16.083 3.706 1.00 0.00 C ATOM 1408 CG ASN B 210 106.952 -15.503 4.826 1.00 0.00 C ATOM 1409 OD1 ASN B 210 107.106 -16.125 5.876 1.00 0.00 O ATOM 1410 ND2 ASN B 210 107.519 -14.342 4.659 1.00 0.00 N ATOM 0 H ASN B 210 103.871 -16.131 4.760 1.00 0.00 H new ATOM 0 HA ASN B 210 105.384 -14.086 3.466 1.00 0.00 H new ATOM 0 HB2 ASN B 210 105.660 -17.028 4.024 1.00 0.00 H new ATOM 0 HB3 ASN B 210 106.723 -16.298 2.837 1.00 0.00 H new ATOM 0 HD21 ASN B 210 108.094 -13.944 5.401 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.388 -13.831 3.786 1.00 0.00 H new ATOM 1417 N ILE B 211 104.856 -14.290 1.050 1.00 0.00 N ATOM 1418 CA ILE B 211 104.486 -14.367 -0.361 1.00 0.00 C ATOM 1419 C ILE B 211 105.443 -13.525 -1.223 1.00 0.00 C ATOM 1420 O ILE B 211 105.826 -12.426 -0.810 1.00 0.00 O ATOM 1421 CB ILE B 211 103.031 -13.876 -0.581 1.00 0.00 C ATOM 1422 CG1 ILE B 211 102.067 -14.636 0.353 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.612 -14.127 -2.044 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.660 -14.056 0.258 1.00 0.00 C ATOM 0 H ILE B 211 105.316 -13.422 1.325 1.00 0.00 H new ATOM 0 HA ILE B 211 104.558 -15.412 -0.662 1.00 0.00 H new ATOM 0 HB ILE B 211 102.986 -12.810 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE B 211 102.050 -15.692 0.085 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.423 -14.574 1.381 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.589 -13.781 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.281 -13.584 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.669 -15.194 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE B 211 99.994 -14.605 0.924 1.00 0.00 H new ATOM 0 HD12 ILE B 211 100.679 -13.006 0.549 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.299 -14.142 -0.767 1.00 0.00 H new ATOM 1436 N PRO B 212 105.815 -13.987 -2.421 1.00 0.00 N ATOM 1437 CA PRO B 212 106.705 -13.204 -3.331 1.00 0.00 C ATOM 1438 C PRO B 212 106.115 -11.825 -3.611 1.00 0.00 C ATOM 1439 O PRO B 212 104.901 -11.631 -3.497 1.00 0.00 O ATOM 1440 CB PRO B 212 106.779 -14.046 -4.611 1.00 0.00 C ATOM 1441 CG PRO B 212 106.428 -15.431 -4.198 1.00 0.00 C ATOM 1442 CD PRO B 212 105.457 -15.292 -3.039 1.00 0.00 C ATOM 0 HA PRO B 212 107.690 -13.026 -2.900 1.00 0.00 H new ATOM 0 HB2 PRO B 212 106.086 -13.674 -5.366 1.00 0.00 H new ATOM 0 HB3 PRO B 212 107.777 -14.008 -5.048 1.00 0.00 H new ATOM 0 HG2 PRO B 212 105.974 -15.980 -5.023 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.317 -15.985 -3.897 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.423 -15.300 -3.382 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.564 -16.112 -2.329 1.00 0.00 H new ATOM 1450 N GLU B 213 106.980 -10.875 -3.971 1.00 0.00 N ATOM 1451 CA GLU B 213 106.538 -9.508 -4.260 1.00 0.00 C ATOM 1452 C GLU B 213 105.652 -9.463 -5.508 1.00 0.00 C ATOM 1453 O GLU B 213 104.937 -8.483 -5.727 1.00 0.00 O ATOM 1454 CB GLU B 213 107.750 -8.595 -4.449 1.00 0.00 C ATOM 1455 CG GLU B 213 107.287 -7.130 -4.532 1.00 0.00 C ATOM 1456 CD GLU B 213 108.479 -6.170 -4.667 1.00 0.00 C ATOM 1457 OE1 GLU B 213 109.580 -6.623 -4.958 1.00 0.00 O ATOM 1458 OE2 GLU B 213 108.269 -4.984 -4.478 1.00 0.00 O ATOM 0 H GLU B 213 107.984 -11.025 -4.069 1.00 0.00 H new ATOM 0 HA GLU B 213 105.949 -9.158 -3.413 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.445 -8.720 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU B 213 108.286 -8.869 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU B 213 106.620 -7.006 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU B 213 106.714 -6.877 -3.640 1.00 0.00 H new ATOM 1465 N SER B 214 105.703 -10.526 -6.312 1.00 0.00 N ATOM 1466 CA SER B 214 104.903 -10.610 -7.531 1.00 0.00 C ATOM 1467 C SER B 214 103.506 -11.172 -7.241 1.00 0.00 C ATOM 1468 O SER B 214 102.507 -10.660 -7.747 1.00 0.00 O ATOM 1469 CB SER B 214 105.611 -11.505 -8.547 1.00 0.00 C ATOM 1470 OG SER B 214 106.727 -10.809 -9.089 1.00 0.00 O ATOM 0 H SER B 214 106.291 -11.341 -6.139 1.00 0.00 H new ATOM 0 HA SER B 214 104.790 -9.604 -7.935 1.00 0.00 H new ATOM 0 HB2 SER B 214 105.940 -12.428 -8.069 1.00 0.00 H new ATOM 0 HB3 SER B 214 104.922 -11.787 -9.343 1.00 0.00 H new ATOM 0 HG SER B 214 107.185 -11.381 -9.740 1.00 0.00 H new ATOM 1476 N HIS B 215 103.454 -12.226 -6.420 1.00 0.00 N ATOM 1477 CA HIS B 215 102.187 -12.867 -6.059 1.00 0.00 C ATOM 1478 C HIS B 215 101.393 -12.045 -5.041 1.00 0.00 C ATOM 1479 O HIS B 215 100.258 -12.401 -4.715 1.00 0.00 O ATOM 1480 CB HIS B 215 102.464 -14.255 -5.475 1.00 0.00 C ATOM 1481 CG HIS B 215 102.861 -15.204 -6.569 1.00 0.00 C ATOM 1482 ND1 HIS B 215 104.140 -15.228 -7.102 1.00 0.00 N ATOM 1483 CD2 HIS B 215 102.150 -16.158 -7.249 1.00 0.00 C ATOM 1484 CE1 HIS B 215 104.160 -16.171 -8.061 1.00 0.00 C ATOM 1485 NE2 HIS B 215 102.972 -16.769 -8.190 1.00 0.00 N ATOM 0 H HIS B 215 104.276 -12.653 -5.993 1.00 0.00 H new ATOM 0 HA HIS B 215 101.589 -12.944 -6.967 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.258 -14.193 -4.730 1.00 0.00 H new ATOM 0 HB3 HIS B 215 101.576 -14.627 -4.964 1.00 0.00 H new ATOM 0 HD2 HIS B 215 101.111 -16.399 -7.080 1.00 0.00 H new ATOM 0 HE1 HIS B 215 105.029 -16.415 -8.654 1.00 0.00 H new ATOM 0 HE2 HIS B 215 102.722 -17.514 -8.840 1.00 0.00 H new ATOM 1493 N ILE B 216 101.997 -10.965 -4.531 1.00 0.00 N ATOM 1494 CA ILE B 216 101.342 -10.118 -3.547 1.00 0.00 C ATOM 1495 C ILE B 216 100.123 -9.414 -4.149 1.00 0.00 C ATOM 1496 O ILE B 216 99.104 -9.257 -3.479 1.00 0.00 O ATOM 1497 CB ILE B 216 102.345 -9.082 -2.991 1.00 0.00 C ATOM 1498 CG1 ILE B 216 101.734 -8.378 -1.765 1.00 0.00 C ATOM 1499 CG2 ILE B 216 102.707 -8.037 -4.065 1.00 0.00 C ATOM 1500 CD1 ILE B 216 101.687 -9.340 -0.571 1.00 0.00 C ATOM 0 H ILE B 216 102.937 -10.664 -4.788 1.00 0.00 H new ATOM 0 HA ILE B 216 100.993 -10.749 -2.729 1.00 0.00 H new ATOM 0 HB ILE B 216 103.256 -9.604 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE B 216 102.325 -7.498 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE B 216 100.728 -8.029 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE B 216 103.414 -7.319 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE B 216 103.159 -8.537 -4.922 1.00 0.00 H new ATOM 0 HG23 ILE B 216 101.805 -7.515 -4.384 1.00 0.00 H new ATOM 0 HD11 ILE B 216 101.253 -8.831 0.290 1.00 0.00 H new ATOM 0 HD12 ILE B 216 101.077 -10.206 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE B 216 102.698 -9.667 -0.327 1.00 0.00 H new ATOM 1512 N ASN B 217 100.253 -8.977 -5.406 1.00 0.00 N ATOM 1513 CA ASN B 217 99.166 -8.269 -6.079 1.00 0.00 C ATOM 1514 C ASN B 217 97.932 -9.157 -6.171 1.00 0.00 C ATOM 1515 O ASN B 217 96.846 -8.767 -5.734 1.00 0.00 O ATOM 1516 CB ASN B 217 99.615 -7.846 -7.482 1.00 0.00 C ATOM 1517 CG ASN B 217 100.919 -7.048 -7.408 1.00 0.00 C ATOM 1518 OD1 ASN B 217 101.255 -6.480 -6.365 1.00 0.00 O ATOM 1519 ND2 ASN B 217 101.682 -6.971 -8.464 1.00 0.00 N ATOM 0 H ASN B 217 101.093 -9.101 -5.971 1.00 0.00 H new ATOM 0 HA ASN B 217 98.912 -7.381 -5.501 1.00 0.00 H new ATOM 0 HB2 ASN B 217 99.756 -8.728 -8.107 1.00 0.00 H new ATOM 0 HB3 ASN B 217 98.839 -7.243 -7.953 1.00 0.00 H new ATOM 0 HD21 ASN B 217 102.554 -6.442 -8.426 1.00 0.00 H new ATOM 0 HD22 ASN B 217 101.407 -7.439 -9.327 1.00 0.00 H new ATOM 1526 N LYS B 218 98.116 -10.358 -6.717 1.00 0.00 N ATOM 1527 CA LYS B 218 97.015 -11.317 -6.840 1.00 0.00 C ATOM 1528 C LYS B 218 96.544 -11.731 -5.452 1.00 0.00 C ATOM 1529 O LYS B 218 95.340 -11.828 -5.203 1.00 0.00 O ATOM 1530 CB LYS B 218 97.460 -12.546 -7.627 1.00 0.00 C ATOM 1531 CG LYS B 218 96.251 -13.444 -7.906 1.00 0.00 C ATOM 1532 CD LYS B 218 96.678 -14.620 -8.786 1.00 0.00 C ATOM 1533 CE LYS B 218 95.467 -15.501 -9.077 1.00 0.00 C ATOM 1534 NZ LYS B 218 95.885 -16.646 -9.930 1.00 0.00 N ATOM 0 H LYS B 218 99.010 -10.690 -7.079 1.00 0.00 H new ATOM 0 HA LYS B 218 96.193 -10.843 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS B 218 97.923 -12.241 -8.565 1.00 0.00 H new ATOM 0 HB3 LYS B 218 98.213 -13.098 -7.064 1.00 0.00 H new ATOM 0 HG2 LYS B 218 95.834 -13.811 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS B 218 95.467 -12.872 -8.402 1.00 0.00 H new ATOM 0 HD2 LYS B 218 97.107 -14.254 -9.718 1.00 0.00 H new ATOM 0 HD3 LYS B 218 97.452 -15.201 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS B 218 95.036 -15.866 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS B 218 94.694 -14.921 -9.580 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 95.061 -17.249 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 96.277 -16.288 -10.824 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 96.609 -17.203 -9.433 1.00 0.00 H new ATOM 1548 N HIS B 219 97.506 -11.987 -4.561 1.00 0.00 N ATOM 1549 CA HIS B 219 97.182 -12.391 -3.196 1.00 0.00 C ATOM 1550 C HIS B 219 96.292 -11.336 -2.527 1.00 0.00 C ATOM 1551 O HIS B 219 95.367 -11.689 -1.800 1.00 0.00 O ATOM 1552 CB HIS B 219 98.458 -12.616 -2.363 1.00 0.00 C ATOM 1553 CG HIS B 219 98.062 -12.942 -0.942 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.565 -14.181 -0.567 1.00 0.00 N ATOM 1555 CD2 HIS B 219 98.009 -12.162 0.180 1.00 0.00 C ATOM 1556 CE1 HIS B 219 97.228 -14.102 0.736 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.482 -12.888 1.237 1.00 0.00 N ATOM 0 H HIS B 219 98.504 -11.922 -4.760 1.00 0.00 H new ATOM 0 HA HIS B 219 96.640 -13.335 -3.244 1.00 0.00 H new ATOM 0 HB2 HIS B 219 99.046 -13.430 -2.787 1.00 0.00 H new ATOM 0 HB3 HIS B 219 99.085 -11.725 -2.385 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.472 -15.001 -1.166 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.330 -11.132 0.235 1.00 0.00 H new ATOM 0 HE1 HIS B 219 96.806 -14.917 1.304 1.00 0.00 H new ATOM 1564 N LEU B 220 96.588 -10.057 -2.753 1.00 0.00 N ATOM 1565 CA LEU B 220 95.798 -8.987 -2.150 1.00 0.00 C ATOM 1566 C LEU B 220 94.358 -9.054 -2.653 1.00 0.00 C ATOM 1567 O LEU B 220 93.419 -8.812 -1.893 1.00 0.00 O ATOM 1568 CB LEU B 220 96.401 -7.619 -2.474 1.00 0.00 C ATOM 1569 CG LEU B 220 97.612 -7.357 -1.568 1.00 0.00 C ATOM 1570 CD1 LEU B 220 98.407 -6.177 -2.118 1.00 0.00 C ATOM 1571 CD2 LEU B 220 97.137 -7.028 -0.144 1.00 0.00 C ATOM 0 H LEU B 220 97.359 -9.740 -3.341 1.00 0.00 H new ATOM 0 HA LEU B 220 95.807 -9.120 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.704 -7.583 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.653 -6.839 -2.332 1.00 0.00 H new ATOM 0 HG LEU B 220 98.241 -8.247 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU B 220 99.268 -5.988 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.749 -6.408 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.772 -5.291 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU B 220 98.001 -6.843 0.494 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.506 -6.139 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.566 -7.868 0.252 1.00 0.00 H new ATOM 1583 N ASP B 221 94.198 -9.394 -3.933 1.00 0.00 N ATOM 1584 CA ASP B 221 92.875 -9.518 -4.537 1.00 0.00 C ATOM 1585 C ASP B 221 92.081 -10.645 -3.870 1.00 0.00 C ATOM 1586 O ASP B 221 90.869 -10.529 -3.690 1.00 0.00 O ATOM 1587 CB ASP B 221 93.018 -9.803 -6.030 1.00 0.00 C ATOM 1588 CG ASP B 221 93.171 -8.499 -6.800 1.00 0.00 C ATOM 1589 OD1 ASP B 221 92.415 -7.580 -6.523 1.00 0.00 O ATOM 1590 OD2 ASP B 221 94.036 -8.436 -7.657 1.00 0.00 O ATOM 0 H ASP B 221 94.971 -9.588 -4.570 1.00 0.00 H new ATOM 0 HA ASP B 221 92.336 -8.581 -4.393 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.884 -10.441 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP B 221 92.144 -10.346 -6.390 1.00 0.00 H new ATOM 1595 N SER B 222 92.777 -11.727 -3.505 1.00 0.00 N ATOM 1596 CA SER B 222 92.136 -12.876 -2.848 1.00 0.00 C ATOM 1597 C SER B 222 91.892 -12.594 -1.361 1.00 0.00 C ATOM 1598 O SER B 222 90.774 -12.744 -0.867 1.00 0.00 O ATOM 1599 CB SER B 222 93.028 -14.112 -2.987 1.00 0.00 C ATOM 1600 OG SER B 222 94.290 -13.851 -2.386 1.00 0.00 O ATOM 0 H SER B 222 93.781 -11.833 -3.652 1.00 0.00 H new ATOM 0 HA SER B 222 91.175 -13.052 -3.331 1.00 0.00 H new ATOM 0 HB2 SER B 222 92.556 -14.971 -2.510 1.00 0.00 H new ATOM 0 HB3 SER B 222 93.159 -14.364 -4.039 1.00 0.00 H new ATOM 0 HG SER B 222 94.536 -12.914 -2.535 1.00 0.00 H new ATOM 1606 N CYS B 223 92.954 -12.191 -0.663 1.00 0.00 N ATOM 1607 CA CYS B 223 92.884 -11.884 0.771 1.00 0.00 C ATOM 1608 C CYS B 223 91.789 -10.859 1.052 1.00 0.00 C ATOM 1609 O CYS B 223 91.029 -10.996 2.015 1.00 0.00 O ATOM 1610 CB CYS B 223 94.244 -11.331 1.225 1.00 0.00 C ATOM 1611 SG CYS B 223 94.578 -11.843 2.934 1.00 0.00 S ATOM 0 H CYS B 223 93.882 -12.068 -1.069 1.00 0.00 H new ATOM 0 HA CYS B 223 92.646 -12.794 1.321 1.00 0.00 H new ATOM 0 HB2 CYS B 223 95.033 -11.695 0.566 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.246 -10.243 1.155 1.00 0.00 H new ATOM 1616 N LEU B 224 91.723 -9.841 0.201 1.00 0.00 N ATOM 1617 CA LEU B 224 90.719 -8.789 0.332 1.00 0.00 C ATOM 1618 C LEU B 224 89.331 -9.321 -0.028 1.00 0.00 C ATOM 1619 O LEU B 224 88.331 -8.904 0.559 1.00 0.00 O ATOM 1620 CB LEU B 224 91.086 -7.602 -0.561 1.00 0.00 C ATOM 1621 CG LEU B 224 92.338 -6.910 0.001 1.00 0.00 C ATOM 1622 CD1 LEU B 224 92.920 -5.973 -1.055 1.00 0.00 C ATOM 1623 CD2 LEU B 224 91.968 -6.090 1.248 1.00 0.00 C ATOM 0 H LEU B 224 92.355 -9.721 -0.590 1.00 0.00 H new ATOM 0 HA LEU B 224 90.696 -8.455 1.369 1.00 0.00 H new ATOM 0 HB2 LEU B 224 91.271 -7.942 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU B 224 90.256 -6.897 -0.607 1.00 0.00 H new ATOM 0 HG LEU B 224 93.073 -7.669 0.269 1.00 0.00 H new ATOM 0 HD11 LEU B 224 93.808 -5.482 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU B 224 93.190 -6.547 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU B 224 92.178 -5.220 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU B 224 92.860 -5.602 1.641 1.00 0.00 H new ATOM 0 HD22 LEU B 224 91.229 -5.334 0.981 1.00 0.00 H new ATOM 0 HD23 LEU B 224 91.552 -6.751 2.008 1.00 0.00 H new ATOM 1635 N SER B 225 89.282 -10.245 -0.995 1.00 0.00 N ATOM 1636 CA SER B 225 88.017 -10.834 -1.432 1.00 0.00 C ATOM 1637 C SER B 225 87.310 -11.517 -0.264 1.00 0.00 C ATOM 1638 O SER B 225 86.092 -11.395 -0.111 1.00 0.00 O ATOM 1639 CB SER B 225 88.268 -11.857 -2.542 1.00 0.00 C ATOM 1640 OG SER B 225 87.031 -12.406 -2.973 1.00 0.00 O ATOM 0 H SER B 225 90.103 -10.598 -1.487 1.00 0.00 H new ATOM 0 HA SER B 225 87.382 -10.034 -1.812 1.00 0.00 H new ATOM 0 HB2 SER B 225 88.778 -11.382 -3.380 1.00 0.00 H new ATOM 0 HB3 SER B 225 88.922 -12.650 -2.179 1.00 0.00 H new ATOM 0 HG SER B 225 87.194 -13.060 -3.685 1.00 0.00 H new ATOM 1646 N ARG B 226 88.083 -12.229 0.561 1.00 0.00 N ATOM 1647 CA ARG B 226 87.527 -12.925 1.721 1.00 0.00 C ATOM 1648 C ARG B 226 86.806 -11.925 2.622 1.00 0.00 C ATOM 1649 O ARG B 226 85.721 -12.212 3.133 1.00 0.00 O ATOM 1650 CB ARG B 226 88.651 -13.613 2.506 1.00 0.00 C ATOM 1651 CG ARG B 226 88.056 -14.454 3.643 1.00 0.00 C ATOM 1652 CD ARG B 226 89.179 -15.069 4.477 1.00 0.00 C ATOM 1653 NE ARG B 226 89.928 -16.036 3.670 1.00 0.00 N ATOM 1654 CZ ARG B 226 89.526 -17.311 3.510 1.00 0.00 C ATOM 1655 NH1 ARG B 226 88.432 -17.767 4.078 1.00 0.00 N ATOM 1656 NH2 ARG B 226 90.237 -18.112 2.768 1.00 0.00 N ATOM 0 H ARG B 226 89.091 -12.337 0.447 1.00 0.00 H new ATOM 0 HA ARG B 226 86.818 -13.680 1.380 1.00 0.00 H new ATOM 0 HB2 ARG B 226 89.235 -14.248 1.840 1.00 0.00 H new ATOM 0 HB3 ARG B 226 89.332 -12.866 2.913 1.00 0.00 H new ATOM 0 HG2 ARG B 226 87.422 -13.832 4.274 1.00 0.00 H new ATOM 0 HG3 ARG B 226 87.423 -15.241 3.232 1.00 0.00 H new ATOM 0 HD2 ARG B 226 89.848 -14.286 4.836 1.00 0.00 H new ATOM 0 HD3 ARG B 226 88.763 -15.561 5.356 1.00 0.00 H new ATOM 0 HE ARG B 226 90.787 -15.731 3.212 1.00 0.00 H new ATOM 0 HH11 ARG B 226 87.863 -17.150 4.658 1.00 0.00 H new ATOM 0 HH12 ARG B 226 88.152 -18.738 3.939 1.00 0.00 H new ATOM 0 HH21 ARG B 226 91.086 -17.771 2.317 1.00 0.00 H new ATOM 0 HH22 ARG B 226 89.945 -19.080 2.638 1.00 0.00 H new ATOM 1670 N GLU B 227 87.433 -10.764 2.810 1.00 0.00 N ATOM 1671 CA GLU B 227 86.868 -9.714 3.648 1.00 0.00 C ATOM 1672 C GLU B 227 85.510 -9.274 3.108 1.00 0.00 C ATOM 1673 O GLU B 227 84.592 -8.999 3.886 1.00 0.00 O ATOM 1674 CB GLU B 227 87.820 -8.517 3.694 1.00 0.00 C ATOM 1675 CG GLU B 227 87.323 -7.513 4.742 1.00 0.00 C ATOM 1676 CD GLU B 227 88.257 -6.298 4.830 1.00 0.00 C ATOM 1677 OE1 GLU B 227 89.454 -6.488 5.003 1.00 0.00 O ATOM 1678 OE2 GLU B 227 87.753 -5.192 4.736 1.00 0.00 O ATOM 0 H GLU B 227 88.333 -10.529 2.392 1.00 0.00 H new ATOM 0 HA GLU B 227 86.733 -10.107 4.656 1.00 0.00 H new ATOM 0 HB2 GLU B 227 88.828 -8.849 3.941 1.00 0.00 H new ATOM 0 HB3 GLU B 227 87.872 -8.042 2.715 1.00 0.00 H new ATOM 0 HG2 GLU B 227 86.316 -7.184 4.486 1.00 0.00 H new ATOM 0 HG3 GLU B 227 87.261 -7.999 5.716 1.00 0.00 H new ATOM 1685 N GLU B 228 85.393 -9.214 1.782 1.00 0.00 N ATOM 1686 CA GLU B 228 84.137 -8.816 1.144 1.00 0.00 C ATOM 1687 C GLU B 228 83.040 -9.863 1.388 1.00 0.00 C ATOM 1688 O GLU B 228 81.853 -9.544 1.299 1.00 0.00 O ATOM 1689 CB GLU B 228 84.348 -8.647 -0.364 1.00 0.00 C ATOM 1690 CG GLU B 228 83.120 -7.970 -0.990 1.00 0.00 C ATOM 1691 CD GLU B 228 82.993 -6.518 -0.504 1.00 0.00 C ATOM 1692 OE1 GLU B 228 83.910 -6.026 0.147 1.00 0.00 O ATOM 1693 OE2 GLU B 228 81.975 -5.917 -0.788 1.00 0.00 O ATOM 0 H GLU B 228 86.147 -9.434 1.131 1.00 0.00 H new ATOM 0 HA GLU B 228 83.821 -7.869 1.582 1.00 0.00 H new ATOM 0 HB2 GLU B 228 85.239 -8.048 -0.551 1.00 0.00 H new ATOM 0 HB3 GLU B 228 84.515 -9.619 -0.828 1.00 0.00 H new ATOM 0 HG2 GLU B 228 83.203 -7.989 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU B 228 82.220 -8.526 -0.729 1.00 0.00 H new ATOM 1700 N LYS B 229 83.445 -11.100 1.711 1.00 0.00 N ATOM 1701 CA LYS B 229 82.496 -12.178 1.984 1.00 0.00 C ATOM 1702 C LYS B 229 81.993 -12.108 3.426 1.00 0.00 C ATOM 1703 O LYS B 229 80.821 -12.381 3.693 1.00 0.00 O ATOM 1704 CB LYS B 229 83.153 -13.532 1.734 1.00 0.00 C ATOM 1705 CG LYS B 229 83.417 -13.703 0.239 1.00 0.00 C ATOM 1706 CD LYS B 229 84.059 -15.066 -0.017 1.00 0.00 C ATOM 1707 CE LYS B 229 84.342 -15.217 -1.513 1.00 0.00 C ATOM 1708 NZ LYS B 229 83.052 -15.343 -2.248 1.00 0.00 N ATOM 0 H LYS B 229 84.424 -11.374 1.788 1.00 0.00 H new ATOM 0 HA LYS B 229 81.645 -12.060 1.313 1.00 0.00 H new ATOM 0 HB2 LYS B 229 84.088 -13.602 2.289 1.00 0.00 H new ATOM 0 HB3 LYS B 229 82.508 -14.333 2.094 1.00 0.00 H new ATOM 0 HG2 LYS B 229 82.483 -13.620 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS B 229 84.072 -12.909 -0.118 1.00 0.00 H new ATOM 0 HD2 LYS B 229 84.985 -15.158 0.551 1.00 0.00 H new ATOM 0 HD3 LYS B 229 83.397 -15.863 0.322 1.00 0.00 H new ATOM 0 HE2 LYS B 229 84.899 -14.354 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS B 229 84.962 -16.096 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 83.230 -15.728 -3.198 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 82.418 -15.983 -1.729 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 82.607 -14.407 -2.331 1.00 0.00 H new ATOM 1722 N LYS B 230 82.891 -11.743 4.349 1.00 0.00 N ATOM 1723 CA LYS B 230 82.534 -11.646 5.767 1.00 0.00 C ATOM 1724 C LYS B 230 81.408 -10.629 5.984 1.00 0.00 C ATOM 1725 O LYS B 230 80.494 -10.877 6.775 1.00 0.00 O ATOM 1726 CB LYS B 230 83.757 -11.239 6.587 1.00 0.00 C ATOM 1727 CG LYS B 230 84.791 -12.365 6.556 1.00 0.00 C ATOM 1728 CD LYS B 230 86.006 -11.969 7.394 1.00 0.00 C ATOM 1729 CE LYS B 230 87.055 -13.079 7.328 1.00 0.00 C ATOM 1730 NZ LYS B 230 88.243 -12.686 8.140 1.00 0.00 N ATOM 0 H LYS B 230 83.862 -11.512 4.141 1.00 0.00 H new ATOM 0 HA LYS B 230 82.183 -12.625 6.095 1.00 0.00 H new ATOM 0 HB2 LYS B 230 84.189 -10.323 6.184 1.00 0.00 H new ATOM 0 HB3 LYS B 230 83.464 -11.028 7.616 1.00 0.00 H new ATOM 0 HG2 LYS B 230 84.353 -13.285 6.944 1.00 0.00 H new ATOM 0 HG3 LYS B 230 85.095 -12.565 5.529 1.00 0.00 H new ATOM 0 HD2 LYS B 230 86.427 -11.034 7.024 1.00 0.00 H new ATOM 0 HD3 LYS B 230 85.707 -11.797 8.428 1.00 0.00 H new ATOM 0 HE2 LYS B 230 86.637 -14.013 7.704 1.00 0.00 H new ATOM 0 HE3 LYS B 230 87.350 -13.255 6.293 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 88.958 -13.440 8.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 88.646 -11.805 7.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 87.955 -12.539 9.128 1.00 0.00 H new ATOM 1744 N GLU B 231 81.481 -9.492 5.284 1.00 0.00 N ATOM 1745 CA GLU B 231 80.474 -8.444 5.405 1.00 0.00 C ATOM 1746 C GLU B 231 79.092 -8.983 5.037 1.00 0.00 C ATOM 1747 O GLU B 231 78.208 -9.074 5.891 1.00 0.00 O ATOM 1748 CB GLU B 231 80.835 -7.273 4.478 1.00 0.00 C ATOM 1749 CG GLU B 231 79.913 -6.084 4.769 1.00 0.00 C ATOM 1750 CD GLU B 231 80.246 -5.482 6.136 1.00 0.00 C ATOM 1751 OE1 GLU B 231 79.349 -4.929 6.753 1.00 0.00 O ATOM 1752 OE2 GLU B 231 81.393 -5.576 6.544 1.00 0.00 O ATOM 0 H GLU B 231 82.231 -9.278 4.627 1.00 0.00 H new ATOM 0 HA GLU B 231 80.450 -8.099 6.439 1.00 0.00 H new ATOM 0 HB2 GLU B 231 81.875 -6.985 4.628 1.00 0.00 H new ATOM 0 HB3 GLU B 231 80.735 -7.577 3.436 1.00 0.00 H new ATOM 0 HG2 GLU B 231 80.026 -5.327 3.993 1.00 0.00 H new ATOM 0 HG3 GLU B 231 78.872 -6.408 4.749 1.00 0.00 H new ATOM 1759 N SER B 232 78.916 -9.316 3.760 1.00 0.00 N ATOM 1760 CA SER B 232 77.636 -9.826 3.262 1.00 0.00 C ATOM 1761 C SER B 232 77.215 -11.069 4.042 1.00 0.00 C ATOM 1762 O SER B 232 78.058 -11.887 4.426 1.00 0.00 O ATOM 1763 CB SER B 232 77.749 -10.157 1.773 1.00 0.00 C ATOM 1764 OG SER B 232 76.518 -10.698 1.316 1.00 0.00 O ATOM 0 H SER B 232 79.643 -9.242 3.049 1.00 0.00 H new ATOM 0 HA SER B 232 76.878 -9.055 3.400 1.00 0.00 H new ATOM 0 HB2 SER B 232 77.997 -9.259 1.207 1.00 0.00 H new ATOM 0 HB3 SER B 232 78.556 -10.871 1.608 1.00 0.00 H new ATOM 0 HG SER B 232 76.588 -10.909 0.362 1.00 0.00 H new ATOM 1770 N LEU B 233 75.902 -11.202 4.269 1.00 0.00 N ATOM 1771 CA LEU B 233 75.368 -12.339 5.009 1.00 0.00 C ATOM 1772 C LEU B 233 76.051 -12.434 6.365 1.00 0.00 C ATOM 1773 O LEU B 233 77.162 -12.959 6.471 1.00 0.00 O ATOM 1774 CB LEU B 233 75.604 -13.630 4.222 1.00 0.00 C ATOM 1775 CG LEU B 233 74.750 -13.630 2.939 1.00 0.00 C ATOM 1776 CD1 LEU B 233 75.229 -14.744 2.005 1.00 0.00 C ATOM 1777 CD2 LEU B 233 73.272 -13.866 3.293 1.00 0.00 C ATOM 0 H LEU B 233 75.198 -10.537 3.950 1.00 0.00 H new ATOM 0 HA LEU B 233 74.297 -12.200 5.153 1.00 0.00 H new ATOM 0 HB2 LEU B 233 76.660 -13.721 3.966 1.00 0.00 H new ATOM 0 HB3 LEU B 233 75.350 -14.493 4.838 1.00 0.00 H new ATOM 0 HG LEU B 233 74.853 -12.665 2.443 1.00 0.00 H new ATOM 0 HD11 LEU B 233 74.625 -14.743 1.098 1.00 0.00 H new ATOM 0 HD12 LEU B 233 76.274 -14.576 1.745 1.00 0.00 H new ATOM 0 HD13 LEU B 233 75.130 -15.707 2.506 1.00 0.00 H new ATOM 0 HD21 LEU B 233 72.675 -13.865 2.381 1.00 0.00 H new ATOM 0 HD22 LEU B 233 73.167 -14.828 3.794 1.00 0.00 H new ATOM 0 HD23 LEU B 233 72.925 -13.073 3.955 1.00 0.00 H new ATOM 1789 N ARG B 234 75.388 -11.907 7.388 1.00 0.00 N ATOM 1790 CA ARG B 234 75.942 -11.913 8.740 1.00 0.00 C ATOM 1791 C ARG B 234 76.172 -13.338 9.222 1.00 0.00 C ATOM 1792 O ARG B 234 75.331 -14.215 9.016 1.00 0.00 O ATOM 1793 CB ARG B 234 74.990 -11.195 9.701 1.00 0.00 C ATOM 1794 CG ARG B 234 74.972 -9.696 9.386 1.00 0.00 C ATOM 1795 CD ARG B 234 73.982 -8.985 10.314 1.00 0.00 C ATOM 1796 NE ARG B 234 73.964 -7.547 10.032 1.00 0.00 N ATOM 1797 CZ ARG B 234 74.830 -6.681 10.596 1.00 0.00 C ATOM 1798 NH1 ARG B 234 75.753 -7.081 11.444 1.00 0.00 N ATOM 1799 NH2 ARG B 234 74.752 -5.415 10.293 1.00 0.00 N ATOM 0 H ARG B 234 74.469 -11.471 7.309 1.00 0.00 H new ATOM 0 HA ARG B 234 76.899 -11.391 8.719 1.00 0.00 H new ATOM 0 HB2 ARG B 234 73.985 -11.608 9.609 1.00 0.00 H new ATOM 0 HB3 ARG B 234 75.308 -11.356 10.731 1.00 0.00 H new ATOM 0 HG2 ARG B 234 75.970 -9.276 9.513 1.00 0.00 H new ATOM 0 HG3 ARG B 234 74.689 -9.537 8.346 1.00 0.00 H new ATOM 0 HD2 ARG B 234 72.984 -9.401 10.180 1.00 0.00 H new ATOM 0 HD3 ARG B 234 74.261 -9.155 11.354 1.00 0.00 H new ATOM 0 HE ARG B 234 73.267 -7.186 9.381 1.00 0.00 H new ATOM 0 HH11 ARG B 234 75.826 -8.068 11.690 1.00 0.00 H new ATOM 0 HH12 ARG B 234 76.395 -6.404 11.856 1.00 0.00 H new ATOM 0 HH21 ARG B 234 74.042 -5.091 9.636 1.00 0.00 H new ATOM 0 HH22 ARG B 234 75.401 -4.749 10.713 1.00 0.00 H new ATOM 1813 N SER B 235 77.318 -13.551 9.867 1.00 0.00 N ATOM 1814 CA SER B 235 77.668 -14.866 10.389 1.00 0.00 C ATOM 1815 C SER B 235 77.398 -14.921 11.886 1.00 0.00 C ATOM 1816 O SER B 235 77.234 -13.881 12.531 1.00 0.00 O ATOM 1817 CB SER B 235 79.144 -15.163 10.121 1.00 0.00 C ATOM 1818 OG SER B 235 79.327 -15.414 8.733 1.00 0.00 O ATOM 0 H SER B 235 78.018 -12.829 10.039 1.00 0.00 H new ATOM 0 HA SER B 235 77.057 -15.616 9.887 1.00 0.00 H new ATOM 0 HB2 SER B 235 79.759 -14.320 10.434 1.00 0.00 H new ATOM 0 HB3 SER B 235 79.465 -16.026 10.704 1.00 0.00 H new ATOM 0 HG SER B 235 80.272 -15.603 8.557 1.00 0.00 H new ATOM 1824 N SER B 236 77.357 -16.138 12.430 1.00 0.00 N ATOM 1825 CA SER B 236 77.111 -16.326 13.856 1.00 0.00 C ATOM 1826 C SER B 236 78.303 -15.831 14.664 1.00 0.00 C ATOM 1827 O SER B 236 79.412 -15.701 14.133 1.00 0.00 O ATOM 1828 CB SER B 236 76.866 -17.803 14.153 1.00 0.00 C ATOM 1829 OG SER B 236 77.910 -18.577 13.581 1.00 0.00 O ATOM 0 H SER B 236 77.491 -17.003 11.906 1.00 0.00 H new ATOM 0 HA SER B 236 76.228 -15.752 14.137 1.00 0.00 H new ATOM 0 HB2 SER B 236 76.824 -17.967 15.230 1.00 0.00 H new ATOM 0 HB3 SER B 236 75.903 -18.113 13.746 1.00 0.00 H new ATOM 0 HG SER B 236 77.756 -19.526 13.772 1.00 0.00 H new ATOM 1835 N VAL B 237 78.064 -15.553 15.944 1.00 0.00 N ATOM 1836 CA VAL B 237 79.115 -15.062 16.835 1.00 0.00 C ATOM 1837 C VAL B 237 80.107 -16.185 17.137 1.00 0.00 C ATOM 1838 O VAL B 237 79.709 -17.312 17.439 1.00 0.00 O ATOM 1839 CB VAL B 237 78.501 -14.533 18.148 1.00 0.00 C ATOM 1840 CG1 VAL B 237 79.606 -14.012 19.080 1.00 0.00 C ATOM 1841 CG2 VAL B 237 77.523 -13.389 17.849 1.00 0.00 C ATOM 0 H VAL B 237 77.152 -15.659 16.388 1.00 0.00 H new ATOM 0 HA VAL B 237 79.640 -14.244 16.341 1.00 0.00 H new ATOM 0 HB VAL B 237 77.971 -15.353 18.633 1.00 0.00 H new ATOM 0 HG11 VAL B 237 79.159 -13.642 20.003 1.00 0.00 H new ATOM 0 HG12 VAL B 237 80.298 -14.821 19.311 1.00 0.00 H new ATOM 0 HG13 VAL B 237 80.145 -13.203 18.588 1.00 0.00 H new ATOM 0 HG21 VAL B 237 77.095 -13.023 18.782 1.00 0.00 H new ATOM 0 HG22 VAL B 237 78.053 -12.578 17.350 1.00 0.00 H new ATOM 0 HG23 VAL B 237 76.725 -13.753 17.202 1.00 0.00 H new ATOM 1851 N HIS B 238 81.394 -15.853 17.063 1.00 0.00 N ATOM 1852 CA HIS B 238 82.456 -16.822 17.338 1.00 0.00 C ATOM 1853 C HIS B 238 83.352 -16.324 18.472 1.00 0.00 C ATOM 1854 O HIS B 238 83.711 -15.143 18.514 1.00 0.00 O ATOM 1855 CB HIS B 238 83.296 -17.050 16.077 1.00 0.00 C ATOM 1856 CG HIS B 238 84.183 -18.251 16.271 1.00 0.00 C ATOM 1857 ND1 HIS B 238 85.428 -18.160 16.872 1.00 0.00 N ATOM 1858 CD2 HIS B 238 84.015 -19.576 15.956 1.00 0.00 C ATOM 1859 CE1 HIS B 238 85.957 -19.397 16.903 1.00 0.00 C ATOM 1860 NE2 HIS B 238 85.136 -20.298 16.357 1.00 0.00 N ATOM 0 H HIS B 238 81.728 -14.922 16.815 1.00 0.00 H new ATOM 0 HA HIS B 238 81.997 -17.764 17.640 1.00 0.00 H new ATOM 0 HB2 HIS B 238 82.644 -17.202 15.216 1.00 0.00 H new ATOM 0 HB3 HIS B 238 83.901 -16.168 15.867 1.00 0.00 H new ATOM 0 HD2 HIS B 238 83.146 -19.995 15.471 1.00 0.00 H new ATOM 0 HE1 HIS B 238 86.926 -19.632 17.318 1.00 0.00 H new ATOM 0 HE2 HIS B 238 85.296 -21.300 16.256 1.00 0.00 H new ATOM 1868 N LYS B 239 83.707 -17.232 19.385 1.00 0.00 N ATOM 1869 CA LYS B 239 84.560 -16.886 20.521 1.00 0.00 C ATOM 1870 C LYS B 239 85.944 -17.508 20.365 1.00 0.00 C ATOM 1871 O LYS B 239 86.075 -18.627 19.861 1.00 0.00 O ATOM 1872 CB LYS B 239 83.919 -17.382 21.821 1.00 0.00 C ATOM 1873 CG LYS B 239 82.625 -16.609 22.081 1.00 0.00 C ATOM 1874 CD LYS B 239 81.973 -17.118 23.368 1.00 0.00 C ATOM 1875 CE LYS B 239 80.687 -16.333 23.632 1.00 0.00 C ATOM 1876 NZ LYS B 239 80.059 -16.820 24.893 1.00 0.00 N ATOM 0 H LYS B 239 83.417 -18.210 19.358 1.00 0.00 H new ATOM 0 HA LYS B 239 84.666 -15.802 20.555 1.00 0.00 H new ATOM 0 HB2 LYS B 239 83.709 -18.449 21.751 1.00 0.00 H new ATOM 0 HB3 LYS B 239 84.609 -17.247 22.654 1.00 0.00 H new ATOM 0 HG2 LYS B 239 82.837 -15.543 22.166 1.00 0.00 H new ATOM 0 HG3 LYS B 239 81.941 -16.732 21.241 1.00 0.00 H new ATOM 0 HD2 LYS B 239 81.751 -18.182 23.280 1.00 0.00 H new ATOM 0 HD3 LYS B 239 82.660 -17.004 24.206 1.00 0.00 H new ATOM 0 HE2 LYS B 239 80.907 -15.268 23.710 1.00 0.00 H new ATOM 0 HE3 LYS B 239 79.996 -16.455 22.798 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 79.184 -16.287 25.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 79.835 -17.832 24.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 80.719 -16.682 25.685 1.00 0.00 H new ATOM 1890 N ARG B 240 86.969 -16.772 20.804 1.00 0.00 N ATOM 1891 CA ARG B 240 88.348 -17.251 20.718 1.00 0.00 C ATOM 1892 C ARG B 240 88.696 -17.618 19.274 1.00 0.00 C ATOM 1893 O ARG B 240 89.313 -16.801 18.606 1.00 0.00 O ATOM 1894 CB ARG B 240 88.528 -18.476 21.629 1.00 0.00 C ATOM 1895 CG ARG B 240 88.412 -18.062 23.099 1.00 0.00 C ATOM 1896 CD ARG B 240 88.461 -19.313 23.979 1.00 0.00 C ATOM 1897 NE ARG B 240 89.767 -19.973 23.852 1.00 0.00 N ATOM 1898 CZ ARG B 240 90.831 -19.633 24.603 1.00 0.00 C ATOM 1899 NH1 ARG B 240 90.759 -18.677 25.501 1.00 0.00 N ATOM 1900 NH2 ARG B 240 91.957 -20.266 24.435 1.00 0.00 N ATOM 1901 OXT ARG B 240 88.335 -18.703 18.852 1.00 0.00 O ATOM 0 H ARG B 240 86.869 -15.846 21.221 1.00 0.00 H new ATOM 0 HA ARG B 240 89.018 -16.456 21.046 1.00 0.00 H new ATOM 0 HB2 ARG B 240 87.774 -19.227 21.394 1.00 0.00 H new ATOM 0 HB3 ARG B 240 89.501 -18.934 21.448 1.00 0.00 H new ATOM 0 HG2 ARG B 240 89.224 -17.385 23.364 1.00 0.00 H new ATOM 0 HG3 ARG B 240 87.480 -17.522 23.265 1.00 0.00 H new ATOM 0 HD2 ARG B 240 88.282 -19.042 25.019 1.00 0.00 H new ATOM 0 HD3 ARG B 240 87.668 -20.002 23.689 1.00 0.00 H new ATOM 0 HE ARG B 240 89.872 -20.720 23.166 1.00 0.00 H new ATOM 0 HH11 ARG B 240 89.883 -18.174 25.641 1.00 0.00 H new ATOM 0 HH12 ARG B 240 91.579 -18.438 26.058 1.00 0.00 H new ATOM 0 HH21 ARG B 240 92.025 -21.010 23.741 1.00 0.00 H new ATOM 0 HH22 ARG B 240 92.771 -20.018 24.998 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 96.880 -12.143 2.978 1.00 0.00 ZN