USER MOD reduce.3.24.130724 H: found=0, std=0, add=902, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 908 hydrogens (128 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: A 22 HIS HE2 : A 22 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD NoAdj-H: A 202 HEC HAB : A 202 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 202 HEC H2D : A 202 HEC O2D : A 202 HEC CGD :(short bond) USER MOD NoAdj-H: A 202 HEC H2A : A 202 HEC O2A : A 202 HEC CGA :(short bond) USER MOD NoAdj-H: A 203 HEC HAC : A 203 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC HAB : A 203 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC H2D : A 203 HEC O2D : A 203 HEC CGD :(short bond) USER MOD NoAdj-H: A 203 HEC H2A : A 203 HEC O2A : A 203 HEC CGA :(short bond) USER MOD NoAdj-H: A 204 HEC HAC : A 204 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC HAB : A 204 HEC CAB : A 100 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC H2D : A 204 HEC O2D : A 204 HEC CGD :(short bond) USER MOD NoAdj-H: A 204 HEC H2A : A 204 HEC O2A : A 204 HEC CGA :(short bond) USER MOD Set 1.1: A 74 THR OG1 : rot 67:sc= 0.736 USER MOD Set 1.2: A 78 SER OG : rot 176:sc= -0.664 USER MOD Single : A 1 ALA N :NH3+ 147:sc= 0.0223 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -168:sc= -12.3! (180deg=-12.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 50:sc= -4.22! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.035) USER MOD Single : A 21 ASN :FLIP amide:sc= -5.27! C(o=-6.9!,f=-5.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 71:sc= -1.67! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.187) USER MOD Single : A 38 ASN :FLIP amide:sc= 0.135 F(o=-1.7!,f=0.14) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 38:sc= -0.126 USER MOD Single : A 44 GLN : amide:sc= -0.0505 X(o=-0.05,f=-0.28) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -90:sc= -0.835 USER MOD Single : A 54 ASN :FLIP amide:sc= -1.33 F(o=-3.1!,f=-1.3) USER MOD Single : A 55 MET CE :methyl -107:sc= -2.02 (180deg=-5.14!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 1.02 (180deg=1.01) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 158:sc= -2.84! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -16.9! C(o=-17!,f=-31!) USER MOD Single : A 69 MET CE :methyl -172:sc= -0.744 (180deg=-0.854) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -142:sc= 0.789 (180deg=-1.24!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 103:sc= 0.056 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 63:sc= -0.152! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -147:sc= 0.61 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.391 14.743 2.569 1.00 0.00 N ATOM 2 CA ALA A 1 19.743 13.406 2.437 1.00 0.00 C ATOM 3 C ALA A 1 18.562 13.292 3.405 1.00 0.00 C ATOM 4 O ALA A 1 18.600 13.823 4.498 1.00 0.00 O ATOM 5 CB ALA A 1 20.835 12.400 2.803 1.00 0.00 C ATOM 0 H1 ALA A 1 21.412 14.653 2.394 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.978 15.399 1.876 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.236 15.111 3.529 1.00 0.00 H new ATOM 0 HA ALA A 1 19.349 13.235 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.437 11.388 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.675 12.509 2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.173 12.585 3.823 1.00 0.00 H new ATOM 13 N PRO A 2 17.548 12.599 2.965 1.00 0.00 N ATOM 14 CA PRO A 2 16.336 12.406 3.798 1.00 0.00 C ATOM 15 C PRO A 2 16.614 11.425 4.935 1.00 0.00 C ATOM 16 O PRO A 2 17.198 10.379 4.737 1.00 0.00 O ATOM 17 CB PRO A 2 15.320 11.816 2.824 1.00 0.00 C ATOM 18 CG PRO A 2 16.140 11.167 1.754 1.00 0.00 C ATOM 19 CD PRO A 2 17.436 11.934 1.663 1.00 0.00 C ATOM 0 HA PRO A 2 15.994 13.329 4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.673 11.092 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.674 12.590 2.411 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.328 10.120 1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.613 11.186 0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.281 11.270 1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.416 12.656 0.847 1.00 0.00 H new ATOM 27 N LYS A 3 16.189 11.746 6.125 1.00 0.00 N ATOM 28 CA LYS A 3 16.422 10.819 7.264 1.00 0.00 C ATOM 29 C LYS A 3 15.189 9.950 7.486 1.00 0.00 C ATOM 30 O LYS A 3 14.324 10.264 8.279 1.00 0.00 O ATOM 31 CB LYS A 3 16.655 11.701 8.475 1.00 0.00 C ATOM 32 CG LYS A 3 17.872 12.596 8.239 1.00 0.00 C ATOM 33 CD LYS A 3 18.725 12.643 9.508 1.00 0.00 C ATOM 34 CE LYS A 3 18.816 14.086 10.009 1.00 0.00 C ATOM 35 NZ LYS A 3 19.275 13.974 11.422 1.00 0.00 N ATOM 0 H LYS A 3 15.693 12.607 6.356 1.00 0.00 H new ATOM 0 HA LYS A 3 17.268 10.157 7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.773 12.313 8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.812 11.085 9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.462 12.214 7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.550 13.601 7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 3 18.287 12.007 10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 3 19.723 12.254 9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.517 14.668 9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.850 14.588 9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.362 14.924 11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.585 13.421 11.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 20.200 13.499 11.450 1.00 0.00 H new ATOM 49 N ALA A 4 15.113 8.863 6.792 1.00 0.00 N ATOM 50 CA ALA A 4 13.942 7.952 6.946 1.00 0.00 C ATOM 51 C ALA A 4 13.548 7.857 8.422 1.00 0.00 C ATOM 52 O ALA A 4 14.397 7.766 9.286 1.00 0.00 O ATOM 53 CB ALA A 4 14.420 6.596 6.427 1.00 0.00 C ATOM 0 H ALA A 4 15.813 8.556 6.117 1.00 0.00 H new ATOM 0 HA ALA A 4 13.066 8.305 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.611 5.870 6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.720 6.691 5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.271 6.259 7.019 1.00 0.00 H new ATOM 59 N PRO A 5 12.267 7.885 8.659 1.00 0.00 N ATOM 60 CA PRO A 5 11.750 7.804 10.039 1.00 0.00 C ATOM 61 C PRO A 5 11.830 6.373 10.566 1.00 0.00 C ATOM 62 O PRO A 5 11.959 5.426 9.816 1.00 0.00 O ATOM 63 CB PRO A 5 10.308 8.285 9.917 1.00 0.00 C ATOM 64 CG PRO A 5 9.922 8.053 8.486 1.00 0.00 C ATOM 65 CD PRO A 5 11.193 7.989 7.668 1.00 0.00 C ATOM 0 HA PRO A 5 12.323 8.403 10.747 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.653 7.735 10.593 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.224 9.340 10.179 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.358 7.125 8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.278 8.857 8.129 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.189 7.130 6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.310 8.878 7.048 1.00 0.00 H new ATOM 73 N ALA A 6 11.766 6.216 11.857 1.00 0.00 N ATOM 74 CA ALA A 6 11.852 4.857 12.453 1.00 0.00 C ATOM 75 C ALA A 6 10.798 3.937 11.844 1.00 0.00 C ATOM 76 O ALA A 6 9.960 4.353 11.069 1.00 0.00 O ATOM 77 CB ALA A 6 11.587 5.063 13.944 1.00 0.00 C ATOM 0 H ALA A 6 11.657 6.976 12.529 1.00 0.00 H new ATOM 0 HA ALA A 6 12.819 4.389 12.269 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.633 4.103 14.458 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.341 5.733 14.358 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.598 5.501 14.081 1.00 0.00 H new ATOM 83 N ASP A 7 10.839 2.690 12.201 1.00 0.00 N ATOM 84 CA ASP A 7 9.852 1.720 11.667 1.00 0.00 C ATOM 85 C ASP A 7 8.571 1.787 12.495 1.00 0.00 C ATOM 86 O ASP A 7 8.555 2.300 13.597 1.00 0.00 O ATOM 87 CB ASP A 7 10.523 0.357 11.827 1.00 0.00 C ATOM 88 CG ASP A 7 11.979 0.445 11.368 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.243 1.188 10.438 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.806 -0.232 11.957 1.00 0.00 O ATOM 0 H ASP A 7 11.522 2.296 12.848 1.00 0.00 H new ATOM 0 HA ASP A 7 9.579 1.920 10.631 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.478 0.038 12.868 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.991 -0.393 11.241 1.00 0.00 H new ATOM 95 N GLY A 8 7.502 1.268 11.977 1.00 0.00 N ATOM 96 CA GLY A 8 6.220 1.292 12.730 1.00 0.00 C ATOM 97 C GLY A 8 5.395 2.512 12.321 1.00 0.00 C ATOM 98 O GLY A 8 4.440 2.873 12.980 1.00 0.00 O ATOM 0 H GLY A 8 7.457 0.825 11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.657 0.380 12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.419 1.320 13.801 1.00 0.00 H new ATOM 102 N LEU A 9 5.743 3.148 11.237 1.00 0.00 N ATOM 103 CA LEU A 9 4.954 4.334 10.800 1.00 0.00 C ATOM 104 C LEU A 9 3.510 3.913 10.582 1.00 0.00 C ATOM 105 O LEU A 9 3.224 3.027 9.804 1.00 0.00 O ATOM 106 CB LEU A 9 5.578 4.795 9.487 1.00 0.00 C ATOM 107 CG LEU A 9 5.769 6.310 9.535 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.014 6.683 8.731 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.549 7.011 8.930 1.00 0.00 C ATOM 0 H LEU A 9 6.532 2.901 10.640 1.00 0.00 H new ATOM 0 HA LEU A 9 4.966 5.135 11.539 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.536 4.299 9.330 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.937 4.522 8.649 1.00 0.00 H new ATOM 0 HG LEU A 9 5.885 6.626 10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.156 7.763 8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.886 6.190 9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.889 6.362 7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.694 8.091 8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.426 6.698 7.893 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.657 6.744 9.497 1.00 0.00 H new ATOM 121 N LYS A 10 2.598 4.524 11.268 1.00 0.00 N ATOM 122 CA LYS A 10 1.175 4.127 11.098 1.00 0.00 C ATOM 123 C LYS A 10 0.442 5.087 10.167 1.00 0.00 C ATOM 124 O LYS A 10 0.216 6.237 10.487 1.00 0.00 O ATOM 125 CB LYS A 10 0.570 4.177 12.495 1.00 0.00 C ATOM 126 CG LYS A 10 0.399 2.752 13.026 1.00 0.00 C ATOM 127 CD LYS A 10 -0.716 2.728 14.073 1.00 0.00 C ATOM 128 CE LYS A 10 -1.010 1.280 14.475 1.00 0.00 C ATOM 129 NZ LYS A 10 -1.753 1.381 15.761 1.00 0.00 N ATOM 0 H LYS A 10 2.769 5.276 11.935 1.00 0.00 H new ATOM 0 HA LYS A 10 1.091 3.137 10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.214 4.751 13.162 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.394 4.685 12.468 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.158 2.074 12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.333 2.402 13.466 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.420 3.306 14.948 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.616 3.195 13.672 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.604 0.772 13.715 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.089 0.709 14.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.990 0.427 16.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.161 1.863 16.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.628 1.924 15.615 1.00 0.00 H new ATOM 143 N MET A 11 0.039 4.604 9.030 1.00 0.00 N ATOM 144 CA MET A 11 -0.718 5.460 8.078 1.00 0.00 C ATOM 145 C MET A 11 -2.200 5.362 8.422 1.00 0.00 C ATOM 146 O MET A 11 -2.844 4.374 8.143 1.00 0.00 O ATOM 147 CB MET A 11 -0.442 4.883 6.684 1.00 0.00 C ATOM 148 CG MET A 11 -0.464 3.357 6.732 1.00 0.00 C ATOM 149 SD MET A 11 1.233 2.728 6.732 1.00 0.00 S ATOM 150 CE MET A 11 1.664 3.249 5.054 1.00 0.00 C ATOM 0 H MET A 11 0.202 3.647 8.716 1.00 0.00 H new ATOM 0 HA MET A 11 -0.426 6.509 8.123 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.191 5.243 5.979 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.527 5.229 6.324 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.989 3.018 7.625 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.009 2.963 5.874 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.601 2.779 4.756 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.873 2.950 4.366 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.778 4.333 5.027 1.00 0.00 H new ATOM 160 N ASP A 12 -2.738 6.366 9.055 1.00 0.00 N ATOM 161 CA ASP A 12 -4.179 6.307 9.445 1.00 0.00 C ATOM 162 C ASP A 12 -5.015 7.260 8.600 1.00 0.00 C ATOM 163 O ASP A 12 -6.125 7.610 8.952 1.00 0.00 O ATOM 164 CB ASP A 12 -4.211 6.729 10.910 1.00 0.00 C ATOM 165 CG ASP A 12 -3.254 7.902 11.135 1.00 0.00 C ATOM 166 OD1 ASP A 12 -2.057 7.692 11.030 1.00 0.00 O ATOM 167 OD2 ASP A 12 -3.736 8.989 11.409 1.00 0.00 O ATOM 0 H ASP A 12 -2.248 7.221 9.319 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.596 5.312 9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.224 7.015 11.193 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.928 5.890 11.545 1.00 0.00 H new ATOM 172 N LYS A 13 -4.500 7.674 7.486 1.00 0.00 N ATOM 173 CA LYS A 13 -5.270 8.598 6.614 1.00 0.00 C ATOM 174 C LYS A 13 -6.683 8.052 6.392 1.00 0.00 C ATOM 175 O LYS A 13 -7.627 8.793 6.201 1.00 0.00 O ATOM 176 CB LYS A 13 -4.490 8.619 5.306 1.00 0.00 C ATOM 177 CG LYS A 13 -3.276 9.535 5.456 1.00 0.00 C ATOM 178 CD LYS A 13 -3.745 10.968 5.718 1.00 0.00 C ATOM 179 CE LYS A 13 -2.637 11.948 5.326 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.271 12.641 6.593 1.00 0.00 N ATOM 0 H LYS A 13 -3.577 7.414 7.138 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.381 9.593 7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.169 7.611 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.127 8.971 4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.647 9.191 6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.667 9.500 4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.649 11.176 5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.999 11.092 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.780 11.426 4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.984 12.657 4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.515 13.331 6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.104 13.135 6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.938 11.942 7.287 1.00 0.00 H new ATOM 194 N THR A 14 -6.832 6.756 6.419 1.00 0.00 N ATOM 195 CA THR A 14 -8.182 6.149 6.213 1.00 0.00 C ATOM 196 C THR A 14 -8.628 5.388 7.465 1.00 0.00 C ATOM 197 O THR A 14 -7.875 5.216 8.402 1.00 0.00 O ATOM 198 CB THR A 14 -8.016 5.188 5.037 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.844 4.408 5.220 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.901 5.991 3.743 1.00 0.00 C ATOM 0 H THR A 14 -6.077 6.088 6.575 1.00 0.00 H new ATOM 0 HA THR A 14 -8.941 6.907 6.018 1.00 0.00 H new ATOM 0 HB THR A 14 -8.881 4.527 4.981 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.844 4.024 6.122 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.782 5.309 2.901 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.803 6.587 3.603 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.035 6.651 3.800 1.00 0.00 H new ATOM 208 N LYS A 15 -9.852 4.931 7.483 1.00 0.00 N ATOM 209 CA LYS A 15 -10.354 4.180 8.669 1.00 0.00 C ATOM 210 C LYS A 15 -9.495 2.936 8.902 1.00 0.00 C ATOM 211 O LYS A 15 -9.448 2.395 9.988 1.00 0.00 O ATOM 212 CB LYS A 15 -11.786 3.784 8.310 1.00 0.00 C ATOM 213 CG LYS A 15 -12.768 4.729 9.006 1.00 0.00 C ATOM 214 CD LYS A 15 -13.693 5.362 7.966 1.00 0.00 C ATOM 215 CE LYS A 15 -14.725 6.246 8.670 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.956 5.409 8.748 1.00 0.00 N ATOM 0 H LYS A 15 -10.526 5.046 6.726 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.314 4.772 9.583 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.927 3.828 7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.977 2.755 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.354 4.182 9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.223 5.505 9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.112 5.955 7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.196 4.585 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.383 6.539 9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.906 7.164 8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.712 5.946 9.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.262 5.151 7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.755 4.545 9.291 1.00 0.00 H new ATOM 230 N GLN A 16 -8.812 2.485 7.888 1.00 0.00 N ATOM 231 CA GLN A 16 -7.946 1.282 8.044 1.00 0.00 C ATOM 232 C GLN A 16 -6.480 1.713 8.104 1.00 0.00 C ATOM 233 O GLN A 16 -5.777 1.662 7.116 1.00 0.00 O ATOM 234 CB GLN A 16 -8.211 0.436 6.798 1.00 0.00 C ATOM 235 CG GLN A 16 -9.577 -0.242 6.921 1.00 0.00 C ATOM 236 CD GLN A 16 -9.910 -0.959 5.612 1.00 0.00 C ATOM 237 OE1 GLN A 16 -10.985 -0.790 5.070 1.00 0.00 O ATOM 238 NE2 GLN A 16 -9.029 -1.759 5.077 1.00 0.00 N ATOM 0 H GLN A 16 -8.816 2.898 6.955 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.158 0.726 8.957 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.184 1.063 5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.430 -0.315 6.683 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.568 -0.954 7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.344 0.499 7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.127 -1.901 5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.242 -2.242 4.204 1.00 0.00 H new ATOM 247 N PRO A 17 -6.074 2.137 9.270 1.00 0.00 N ATOM 248 CA PRO A 17 -4.679 2.603 9.472 1.00 0.00 C ATOM 249 C PRO A 17 -3.687 1.442 9.357 1.00 0.00 C ATOM 250 O PRO A 17 -3.892 0.375 9.901 1.00 0.00 O ATOM 251 CB PRO A 17 -4.694 3.177 10.887 1.00 0.00 C ATOM 252 CG PRO A 17 -5.831 2.485 11.566 1.00 0.00 C ATOM 253 CD PRO A 17 -6.864 2.222 10.503 1.00 0.00 C ATOM 0 HA PRO A 17 -4.364 3.331 8.724 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.752 2.988 11.401 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.839 4.257 10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.500 1.553 12.025 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.243 3.104 12.363 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.410 1.298 10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.601 3.023 10.453 1.00 0.00 H new ATOM 261 N VAL A 18 -2.613 1.651 8.646 1.00 0.00 N ATOM 262 CA VAL A 18 -1.597 0.578 8.480 1.00 0.00 C ATOM 263 C VAL A 18 -0.248 1.030 9.050 1.00 0.00 C ATOM 264 O VAL A 18 0.013 2.207 9.198 1.00 0.00 O ATOM 265 CB VAL A 18 -1.495 0.380 6.969 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.227 -0.404 6.648 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.717 -0.398 6.473 1.00 0.00 C ATOM 0 H VAL A 18 -2.396 2.527 8.170 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.870 -0.339 9.003 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.459 1.351 6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.151 -0.547 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.643 0.149 7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.265 -1.375 7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.645 -0.540 5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.754 -1.370 6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.623 0.161 6.706 1.00 0.00 H new ATOM 277 N VAL A 19 0.611 0.103 9.367 1.00 0.00 N ATOM 278 CA VAL A 19 1.943 0.475 9.922 1.00 0.00 C ATOM 279 C VAL A 19 3.042 0.177 8.895 1.00 0.00 C ATOM 280 O VAL A 19 3.224 -0.952 8.485 1.00 0.00 O ATOM 281 CB VAL A 19 2.115 -0.413 11.155 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.499 -0.182 11.764 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.040 -0.066 12.188 1.00 0.00 C ATOM 0 H VAL A 19 0.448 -0.899 9.266 1.00 0.00 H new ATOM 0 HA VAL A 19 2.010 1.535 10.166 1.00 0.00 H new ATOM 0 HB VAL A 19 2.017 -1.459 10.864 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.620 -0.815 12.643 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.266 -0.429 11.030 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.599 0.864 12.054 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.162 -0.699 13.067 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.138 0.980 12.478 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.053 -0.232 11.756 1.00 0.00 H new ATOM 293 N PHE A 20 3.781 1.173 8.477 1.00 0.00 N ATOM 294 CA PHE A 20 4.864 0.918 7.482 1.00 0.00 C ATOM 295 C PHE A 20 6.223 0.869 8.177 1.00 0.00 C ATOM 296 O PHE A 20 6.665 1.835 8.767 1.00 0.00 O ATOM 297 CB PHE A 20 4.827 2.091 6.498 1.00 0.00 C ATOM 298 CG PHE A 20 5.900 1.879 5.457 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.848 0.757 4.621 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.954 2.793 5.332 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.846 0.550 3.663 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.950 2.586 4.371 1.00 0.00 C ATOM 303 CZ PHE A 20 7.897 1.465 3.538 1.00 0.00 C ATOM 0 H PHE A 20 3.683 2.142 8.779 1.00 0.00 H new ATOM 0 HA PHE A 20 4.716 -0.036 6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.848 2.157 6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.990 3.032 7.024 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.037 0.051 4.716 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.998 3.658 5.977 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.805 -0.316 3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.760 3.293 4.273 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.667 1.305 2.798 1.00 0.00 H new ATOM 313 N ASN A 21 6.895 -0.243 8.105 1.00 0.00 N ATOM 314 CA ASN A 21 8.224 -0.351 8.749 1.00 0.00 C ATOM 315 C ASN A 21 9.316 -0.083 7.712 1.00 0.00 C ATOM 316 O ASN A 21 9.698 -0.957 6.961 1.00 0.00 O ATOM 317 CB ASN A 21 8.287 -1.793 9.236 1.00 0.00 C ATOM 318 CG ASN A 21 8.322 -1.823 10.766 1.00 0.00 C ATOM 319 OD1 ASN A 21 7.335 -1.300 11.439 1.00 0.00 O flip ATOM 320 ND2 ASN A 21 9.257 -2.328 11.354 1.00 0.00 N flip ATOM 0 H ASN A 21 6.577 -1.085 7.625 1.00 0.00 H new ATOM 0 HA ASN A 21 8.369 0.363 9.560 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.422 -2.347 8.872 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.173 -2.284 8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.029 -2.737 10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.270 -2.343 12.374 1.00 0.00 H new ATOM 327 N HIS A 22 9.819 1.119 7.659 1.00 0.00 N ATOM 328 CA HIS A 22 10.880 1.429 6.662 1.00 0.00 C ATOM 329 C HIS A 22 11.972 0.360 6.724 1.00 0.00 C ATOM 330 O HIS A 22 12.580 0.022 5.729 1.00 0.00 O ATOM 331 CB HIS A 22 11.437 2.790 7.076 1.00 0.00 C ATOM 332 CG HIS A 22 10.612 3.895 6.468 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.777 4.695 7.234 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.514 4.376 5.182 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.227 5.610 6.417 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.644 5.464 5.157 1.00 0.00 N ATOM 0 H HIS A 22 9.543 1.896 8.260 1.00 0.00 H new ATOM 0 HA HIS A 22 10.499 1.446 5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.432 2.878 8.162 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.474 2.880 6.753 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.610 4.605 8.236 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.032 3.972 4.324 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.532 6.371 6.741 1.00 0.00 H new ATOM 344 N SER A 23 12.216 -0.186 7.885 1.00 0.00 N ATOM 345 CA SER A 23 13.259 -1.244 8.002 1.00 0.00 C ATOM 346 C SER A 23 12.987 -2.346 6.977 1.00 0.00 C ATOM 347 O SER A 23 13.882 -2.828 6.313 1.00 0.00 O ATOM 348 CB SER A 23 13.120 -1.785 9.424 1.00 0.00 C ATOM 349 OG SER A 23 13.362 -3.186 9.419 1.00 0.00 O ATOM 0 H SER A 23 11.740 0.054 8.754 1.00 0.00 H new ATOM 0 HA SER A 23 14.264 -0.866 7.813 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.826 -1.285 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.121 -1.578 9.808 1.00 0.00 H new ATOM 0 HG SER A 23 13.275 -3.536 10.330 1.00 0.00 H new ATOM 355 N THR A 24 11.749 -2.739 6.837 1.00 0.00 N ATOM 356 CA THR A 24 11.408 -3.800 5.846 1.00 0.00 C ATOM 357 C THR A 24 11.519 -3.235 4.430 1.00 0.00 C ATOM 358 O THR A 24 11.370 -3.942 3.454 1.00 0.00 O ATOM 359 CB THR A 24 9.961 -4.187 6.159 1.00 0.00 C ATOM 360 OG1 THR A 24 9.414 -3.264 7.090 1.00 0.00 O ATOM 361 CG2 THR A 24 9.924 -5.595 6.754 1.00 0.00 C ATOM 0 H THR A 24 10.959 -2.371 7.367 1.00 0.00 H new ATOM 0 HA THR A 24 12.076 -4.659 5.905 1.00 0.00 H new ATOM 0 HB THR A 24 9.374 -4.167 5.240 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.278 -2.398 6.651 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.893 -5.869 6.976 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.342 -6.303 6.039 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.511 -5.618 7.672 1.00 0.00 H new ATOM 369 N HIS A 25 11.767 -1.959 4.315 1.00 0.00 N ATOM 370 CA HIS A 25 11.874 -1.338 2.974 1.00 0.00 C ATOM 371 C HIS A 25 13.230 -0.650 2.805 1.00 0.00 C ATOM 372 O HIS A 25 13.597 -0.243 1.721 1.00 0.00 O ATOM 373 CB HIS A 25 10.733 -0.334 2.958 1.00 0.00 C ATOM 374 CG HIS A 25 9.455 -1.078 3.206 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.975 -1.316 4.485 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.569 -1.686 2.354 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.851 -2.040 4.367 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.559 -2.295 3.089 1.00 0.00 N ATOM 0 H HIS A 25 11.900 -1.321 5.099 1.00 0.00 H new ATOM 0 HA HIS A 25 11.808 -2.057 2.158 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.885 0.427 3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.693 0.182 1.999 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.399 -0.999 5.357 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.645 -1.691 1.277 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.256 -2.375 5.203 1.00 0.00 H new ATOM 386 N LYS A 26 13.983 -0.527 3.862 1.00 0.00 N ATOM 387 CA LYS A 26 15.319 0.122 3.745 1.00 0.00 C ATOM 388 C LYS A 26 16.077 -0.483 2.562 1.00 0.00 C ATOM 389 O LYS A 26 16.965 0.127 2.000 1.00 0.00 O ATOM 390 CB LYS A 26 16.032 -0.193 5.061 1.00 0.00 C ATOM 391 CG LYS A 26 16.317 -1.693 5.142 1.00 0.00 C ATOM 392 CD LYS A 26 16.859 -2.036 6.531 1.00 0.00 C ATOM 393 CE LYS A 26 17.919 -3.134 6.410 1.00 0.00 C ATOM 394 NZ LYS A 26 17.528 -4.159 7.418 1.00 0.00 N ATOM 0 H LYS A 26 13.733 -0.846 4.798 1.00 0.00 H new ATOM 0 HA LYS A 26 15.252 1.196 3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.964 0.369 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.415 0.116 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.406 -2.258 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.040 -1.978 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.291 -1.149 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.047 -2.369 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.938 -3.556 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.917 -2.743 6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.208 -4.945 7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.525 -3.731 8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.577 -4.518 7.198 1.00 0.00 H new ATOM 408 N ALA A 27 15.722 -1.680 2.176 1.00 0.00 N ATOM 409 CA ALA A 27 16.409 -2.331 1.024 1.00 0.00 C ATOM 410 C ALA A 27 15.644 -2.041 -0.269 1.00 0.00 C ATOM 411 O ALA A 27 16.090 -2.365 -1.352 1.00 0.00 O ATOM 412 CB ALA A 27 16.382 -3.827 1.341 1.00 0.00 C ATOM 0 H ALA A 27 14.985 -2.235 2.610 1.00 0.00 H new ATOM 0 HA ALA A 27 17.426 -1.965 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.871 -4.378 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.908 -4.010 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.348 -4.161 1.434 1.00 0.00 H new ATOM 418 N VAL A 28 14.500 -1.422 -0.163 1.00 0.00 N ATOM 419 CA VAL A 28 13.711 -1.098 -1.384 1.00 0.00 C ATOM 420 C VAL A 28 14.263 0.174 -2.013 1.00 0.00 C ATOM 421 O VAL A 28 15.172 0.788 -1.490 1.00 0.00 O ATOM 422 CB VAL A 28 12.279 -0.882 -0.890 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.426 -0.284 -2.009 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.682 -2.222 -0.462 1.00 0.00 C ATOM 0 H VAL A 28 14.078 -1.127 0.717 1.00 0.00 H new ATOM 0 HA VAL A 28 13.756 -1.883 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 28 12.293 -0.196 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.408 -0.133 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.848 0.673 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.413 -0.965 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.662 -2.070 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.675 -2.905 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.283 -2.648 0.341 1.00 0.00 H new ATOM 434 N LYS A 29 13.732 0.583 -3.125 1.00 0.00 N ATOM 435 CA LYS A 29 14.250 1.819 -3.754 1.00 0.00 C ATOM 436 C LYS A 29 13.515 3.030 -3.204 1.00 0.00 C ATOM 437 O LYS A 29 12.379 3.292 -3.540 1.00 0.00 O ATOM 438 CB LYS A 29 13.983 1.679 -5.241 1.00 0.00 C ATOM 439 CG LYS A 29 15.314 1.612 -5.987 1.00 0.00 C ATOM 440 CD LYS A 29 15.687 0.151 -6.243 1.00 0.00 C ATOM 441 CE LYS A 29 16.519 0.052 -7.524 1.00 0.00 C ATOM 442 NZ LYS A 29 17.815 0.707 -7.190 1.00 0.00 N ATOM 0 H LYS A 29 12.970 0.120 -3.620 1.00 0.00 H new ATOM 0 HA LYS A 29 15.312 1.956 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.399 0.779 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.395 2.524 -5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.240 2.150 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.094 2.100 -5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.252 -0.244 -5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.785 -0.455 -6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.666 -0.987 -7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.025 0.554 -8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.537 0.422 -7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.699 1.740 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.115 0.417 -6.238 1.00 0.00 H new ATOM 456 N CYS A 30 14.163 3.769 -2.368 1.00 0.00 N ATOM 457 CA CYS A 30 13.516 4.982 -1.792 1.00 0.00 C ATOM 458 C CYS A 30 12.845 5.772 -2.916 1.00 0.00 C ATOM 459 O CYS A 30 11.923 6.532 -2.695 1.00 0.00 O ATOM 460 CB CYS A 30 14.652 5.794 -1.167 1.00 0.00 C ATOM 461 SG CYS A 30 14.947 5.221 0.525 1.00 0.00 S ATOM 0 H CYS A 30 15.117 3.593 -2.052 1.00 0.00 H new ATOM 0 HA CYS A 30 12.752 4.740 -1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.559 5.687 -1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.396 6.854 -1.164 1.00 0.00 H new ATOM 466 N GLY A 31 13.305 5.589 -4.124 1.00 0.00 N ATOM 467 CA GLY A 31 12.702 6.317 -5.275 1.00 0.00 C ATOM 468 C GLY A 31 11.542 5.498 -5.846 1.00 0.00 C ATOM 469 O GLY A 31 10.765 5.980 -6.640 1.00 0.00 O ATOM 0 H GLY A 31 14.075 4.964 -4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.346 7.296 -4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.454 6.488 -6.045 1.00 0.00 H new ATOM 473 N ASP A 32 11.406 4.265 -5.441 1.00 0.00 N ATOM 474 CA ASP A 32 10.279 3.448 -5.963 1.00 0.00 C ATOM 475 C ASP A 32 9.009 3.828 -5.205 1.00 0.00 C ATOM 476 O ASP A 32 7.929 3.882 -5.762 1.00 0.00 O ATOM 477 CB ASP A 32 10.675 1.996 -5.700 1.00 0.00 C ATOM 478 CG ASP A 32 10.448 1.176 -6.969 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.463 1.425 -7.643 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.263 0.312 -7.246 1.00 0.00 O ATOM 0 H ASP A 32 12.021 3.793 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 32 10.086 3.606 -7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.721 1.941 -5.399 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.085 1.589 -4.879 1.00 0.00 H new ATOM 485 N CYS A 33 9.141 4.136 -3.945 1.00 0.00 N ATOM 486 CA CYS A 33 7.958 4.565 -3.151 1.00 0.00 C ATOM 487 C CYS A 33 7.844 6.087 -3.258 1.00 0.00 C ATOM 488 O CYS A 33 6.856 6.617 -3.725 1.00 0.00 O ATOM 489 CB CYS A 33 8.260 4.139 -1.713 1.00 0.00 C ATOM 490 SG CYS A 33 7.831 2.396 -1.492 1.00 0.00 S ATOM 0 H CYS A 33 10.021 4.109 -3.430 1.00 0.00 H new ATOM 0 HA CYS A 33 7.020 4.128 -3.495 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.316 4.295 -1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.693 4.755 -1.014 1.00 0.00 H new ATOM 495 N HIS A 34 8.876 6.789 -2.863 1.00 0.00 N ATOM 496 CA HIS A 34 8.860 8.272 -2.981 1.00 0.00 C ATOM 497 C HIS A 34 9.392 8.654 -4.362 1.00 0.00 C ATOM 498 O HIS A 34 10.247 9.506 -4.492 1.00 0.00 O ATOM 499 CB HIS A 34 9.818 8.785 -1.902 1.00 0.00 C ATOM 500 CG HIS A 34 9.250 8.536 -0.530 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.113 9.181 -0.065 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.674 7.738 0.503 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.899 8.764 1.198 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.822 7.886 1.591 1.00 0.00 N ATOM 0 H HIS A 34 9.728 6.395 -2.464 1.00 0.00 H new ATOM 0 HA HIS A 34 7.861 8.690 -2.860 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.783 8.288 -1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.994 9.852 -2.041 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.543 9.849 -0.584 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.539 7.092 0.475 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.080 9.100 1.817 1.00 0.00 H new ATOM 512 N HIS A 35 8.914 8.004 -5.390 1.00 0.00 N ATOM 513 CA HIS A 35 9.409 8.302 -6.765 1.00 0.00 C ATOM 514 C HIS A 35 9.733 9.790 -6.919 1.00 0.00 C ATOM 515 O HIS A 35 9.279 10.612 -6.149 1.00 0.00 O ATOM 516 CB HIS A 35 8.278 7.882 -7.704 1.00 0.00 C ATOM 517 CG HIS A 35 6.963 8.348 -7.164 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.510 9.618 -7.411 1.00 0.00 N ATOM 519 CD2 HIS A 35 5.985 7.730 -6.416 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.308 9.745 -6.830 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.933 8.620 -6.209 1.00 0.00 N ATOM 0 H HIS A 35 8.200 7.278 -5.336 1.00 0.00 H new ATOM 0 HA HIS A 35 10.333 7.768 -6.987 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.443 8.303 -8.696 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.271 6.798 -7.815 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.000 10.338 -7.942 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.027 6.715 -6.048 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.714 10.646 -6.860 1.00 0.00 H new ATOM 529 N PRO A 36 10.533 10.076 -7.910 1.00 0.00 N ATOM 530 CA PRO A 36 10.968 11.472 -8.173 1.00 0.00 C ATOM 531 C PRO A 36 9.799 12.351 -8.617 1.00 0.00 C ATOM 532 O PRO A 36 9.350 12.292 -9.745 1.00 0.00 O ATOM 533 CB PRO A 36 12.000 11.320 -9.290 1.00 0.00 C ATOM 534 CG PRO A 36 11.648 10.032 -9.958 1.00 0.00 C ATOM 535 CD PRO A 36 11.099 9.135 -8.882 1.00 0.00 C ATOM 0 HA PRO A 36 11.370 11.960 -7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.953 12.155 -9.989 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.014 11.295 -8.892 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.911 10.191 -10.745 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.524 9.585 -10.427 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.341 8.457 -9.273 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.879 8.518 -8.436 1.00 0.00 H new ATOM 543 N VAL A 37 9.323 13.184 -7.736 1.00 0.00 N ATOM 544 CA VAL A 37 8.202 14.097 -8.090 1.00 0.00 C ATOM 545 C VAL A 37 8.747 15.513 -8.254 1.00 0.00 C ATOM 546 O VAL A 37 9.747 15.872 -7.665 1.00 0.00 O ATOM 547 CB VAL A 37 7.236 14.022 -6.908 1.00 0.00 C ATOM 548 CG1 VAL A 37 6.273 15.208 -6.960 1.00 0.00 C ATOM 549 CG2 VAL A 37 6.440 12.716 -6.984 1.00 0.00 C ATOM 0 H VAL A 37 9.665 13.272 -6.779 1.00 0.00 H new ATOM 0 HA VAL A 37 7.709 13.823 -9.023 1.00 0.00 H new ATOM 0 HB VAL A 37 7.799 14.052 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.584 15.155 -6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.838 16.138 -6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.709 15.178 -7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.750 12.661 -6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.877 12.687 -7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.126 11.869 -6.948 1.00 0.00 H new ATOM 559 N ASN A 38 8.104 16.326 -9.039 1.00 0.00 N ATOM 560 CA ASN A 38 8.601 17.717 -9.218 1.00 0.00 C ATOM 561 C ASN A 38 10.106 17.716 -9.503 1.00 0.00 C ATOM 562 O ASN A 38 10.788 18.694 -9.272 1.00 0.00 O ATOM 563 CB ASN A 38 8.332 18.375 -7.874 1.00 0.00 C ATOM 564 CG ASN A 38 8.386 19.897 -8.021 1.00 0.00 C ATOM 565 OD1 ASN A 38 7.408 20.620 -7.546 1.00 0.00 O flip ATOM 566 ND2 ASN A 38 9.324 20.433 -8.574 1.00 0.00 N flip ATOM 0 H ASN A 38 7.261 16.091 -9.562 1.00 0.00 H new ATOM 0 HA ASN A 38 8.121 18.229 -10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.354 18.071 -7.499 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.070 18.045 -7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.088 19.868 -8.945 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.348 21.448 -8.668 1.00 0.00 H new ATOM 573 N GLY A 39 10.637 16.625 -9.987 1.00 0.00 N ATOM 574 CA GLY A 39 12.096 16.573 -10.259 1.00 0.00 C ATOM 575 C GLY A 39 12.803 16.001 -9.032 1.00 0.00 C ATOM 576 O GLY A 39 13.973 15.674 -9.073 1.00 0.00 O ATOM 0 H GLY A 39 10.122 15.772 -10.204 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.295 15.953 -11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.474 17.570 -10.482 1.00 0.00 H new ATOM 580 N LYS A 40 12.101 15.877 -7.934 1.00 0.00 N ATOM 581 CA LYS A 40 12.743 15.321 -6.705 1.00 0.00 C ATOM 582 C LYS A 40 11.810 14.317 -6.019 1.00 0.00 C ATOM 583 O LYS A 40 10.608 14.496 -5.988 1.00 0.00 O ATOM 584 CB LYS A 40 12.983 16.532 -5.803 1.00 0.00 C ATOM 585 CG LYS A 40 11.647 17.029 -5.247 1.00 0.00 C ATOM 586 CD LYS A 40 11.822 18.440 -4.683 1.00 0.00 C ATOM 587 CE LYS A 40 10.530 18.875 -3.986 1.00 0.00 C ATOM 588 NZ LYS A 40 10.704 20.331 -3.728 1.00 0.00 N ATOM 0 H LYS A 40 11.119 16.134 -7.836 1.00 0.00 H new ATOM 0 HA LYS A 40 13.667 14.788 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.651 16.263 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.473 17.327 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.892 17.031 -6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.293 16.355 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.653 18.461 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.067 19.136 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.660 18.687 -4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.378 18.325 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.858 20.703 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.536 20.479 -3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.840 20.830 -4.630 1.00 0.00 H new ATOM 602 N GLU A 41 12.352 13.263 -5.467 1.00 0.00 N ATOM 603 CA GLU A 41 11.488 12.255 -4.784 1.00 0.00 C ATOM 604 C GLU A 41 10.910 12.840 -3.499 1.00 0.00 C ATOM 605 O GLU A 41 11.622 13.087 -2.547 1.00 0.00 O ATOM 606 CB GLU A 41 12.405 11.079 -4.441 1.00 0.00 C ATOM 607 CG GLU A 41 12.693 10.261 -5.701 1.00 0.00 C ATOM 608 CD GLU A 41 14.041 9.553 -5.553 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.948 10.157 -5.006 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.144 8.419 -5.991 1.00 0.00 O ATOM 0 H GLU A 41 13.351 13.057 -5.459 1.00 0.00 H new ATOM 0 HA GLU A 41 10.655 11.953 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.338 11.446 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.935 10.448 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.901 9.529 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.706 10.912 -6.575 1.00 0.00 H new ATOM 617 N ASP A 42 9.627 13.047 -3.449 1.00 0.00 N ATOM 618 CA ASP A 42 9.031 13.595 -2.204 1.00 0.00 C ATOM 619 C ASP A 42 9.063 12.525 -1.119 1.00 0.00 C ATOM 620 O ASP A 42 8.236 11.635 -1.081 1.00 0.00 O ATOM 621 CB ASP A 42 7.594 13.946 -2.555 1.00 0.00 C ATOM 622 CG ASP A 42 7.574 15.163 -3.483 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.421 15.228 -4.359 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.711 16.006 -3.303 1.00 0.00 O ATOM 0 H ASP A 42 8.971 12.863 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 42 9.573 14.465 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.110 13.098 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.029 14.159 -1.647 1.00 0.00 H new ATOM 629 N TYR A 43 10.015 12.601 -0.243 1.00 0.00 N ATOM 630 CA TYR A 43 10.109 11.584 0.840 1.00 0.00 C ATOM 631 C TYR A 43 9.110 11.919 1.951 1.00 0.00 C ATOM 632 O TYR A 43 9.474 12.078 3.099 1.00 0.00 O ATOM 633 CB TYR A 43 11.542 11.684 1.363 1.00 0.00 C ATOM 634 CG TYR A 43 12.515 11.555 0.215 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.933 10.288 -0.214 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.003 12.704 -0.418 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.837 10.172 -1.276 1.00 0.00 C ATOM 638 CE2 TYR A 43 13.907 12.588 -1.481 1.00 0.00 C ATOM 639 CZ TYR A 43 14.324 11.322 -1.910 1.00 0.00 C ATOM 640 OH TYR A 43 15.216 11.208 -2.957 1.00 0.00 O ATOM 0 H TYR A 43 10.736 13.323 -0.226 1.00 0.00 H new ATOM 0 HA TYR A 43 9.879 10.579 0.487 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.688 12.638 1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.726 10.900 2.098 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.558 9.401 0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.682 13.680 -0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 43 14.159 9.196 -1.607 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.283 13.475 -1.970 1.00 0.00 H new ATOM 0 HH TYR A 43 14.978 10.433 -3.507 1.00 0.00 H new ATOM 650 N GLN A 44 7.854 12.039 1.617 1.00 0.00 N ATOM 651 CA GLN A 44 6.837 12.377 2.653 1.00 0.00 C ATOM 652 C GLN A 44 5.754 11.300 2.712 1.00 0.00 C ATOM 653 O GLN A 44 5.636 10.473 1.831 1.00 0.00 O ATOM 654 CB GLN A 44 6.234 13.710 2.203 1.00 0.00 C ATOM 655 CG GLN A 44 7.347 14.656 1.742 1.00 0.00 C ATOM 656 CD GLN A 44 7.950 15.364 2.955 1.00 0.00 C ATOM 657 OE1 GLN A 44 8.954 14.933 3.488 1.00 0.00 O ATOM 658 NE2 GLN A 44 7.377 16.441 3.418 1.00 0.00 N ATOM 0 H GLN A 44 7.488 11.918 0.673 1.00 0.00 H new ATOM 0 HA GLN A 44 7.277 12.440 3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.527 13.543 1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.677 14.162 3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.119 14.096 1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.948 15.389 1.041 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.535 16.803 2.971 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.772 16.921 4.227 1.00 0.00 H new ATOM 667 N LYS A 45 4.960 11.309 3.746 1.00 0.00 N ATOM 668 CA LYS A 45 3.884 10.289 3.864 1.00 0.00 C ATOM 669 C LYS A 45 3.178 10.118 2.520 1.00 0.00 C ATOM 670 O LYS A 45 2.772 11.075 1.892 1.00 0.00 O ATOM 671 CB LYS A 45 2.924 10.846 4.911 1.00 0.00 C ATOM 672 CG LYS A 45 3.375 10.404 6.305 1.00 0.00 C ATOM 673 CD LYS A 45 2.911 11.429 7.341 1.00 0.00 C ATOM 674 CE LYS A 45 3.191 10.896 8.749 1.00 0.00 C ATOM 675 NZ LYS A 45 2.678 11.950 9.668 1.00 0.00 N ATOM 0 H LYS A 45 5.010 11.979 4.514 1.00 0.00 H new ATOM 0 HA LYS A 45 4.268 9.309 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.898 11.934 4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.912 10.493 4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.962 9.423 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.460 10.308 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.430 12.375 7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.846 11.627 7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.687 9.945 8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.256 10.724 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.834 11.657 10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.181 12.842 9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.660 12.087 9.505 1.00 0.00 H new ATOM 689 N CYS A 46 3.035 8.903 2.073 1.00 0.00 N ATOM 690 CA CYS A 46 2.363 8.660 0.766 1.00 0.00 C ATOM 691 C CYS A 46 1.158 9.590 0.594 1.00 0.00 C ATOM 692 O CYS A 46 0.946 10.156 -0.460 1.00 0.00 O ATOM 693 CB CYS A 46 1.915 7.201 0.826 1.00 0.00 C ATOM 694 SG CYS A 46 3.364 6.130 1.010 1.00 0.00 S ATOM 0 H CYS A 46 3.355 8.065 2.557 1.00 0.00 H new ATOM 0 HA CYS A 46 3.024 8.854 -0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.232 7.053 1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.369 6.940 -0.081 1.00 0.00 H new ATOM 699 N ALA A 47 0.370 9.747 1.618 1.00 0.00 N ATOM 700 CA ALA A 47 -0.826 10.634 1.512 1.00 0.00 C ATOM 701 C ALA A 47 -0.502 12.040 2.015 1.00 0.00 C ATOM 702 O ALA A 47 -1.208 12.594 2.835 1.00 0.00 O ATOM 703 CB ALA A 47 -1.872 9.990 2.410 1.00 0.00 C ATOM 0 H ALA A 47 0.500 9.300 2.526 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.165 10.735 0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.786 10.584 2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.085 8.982 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.495 9.943 3.432 1.00 0.00 H new ATOM 709 N THR A 48 0.552 12.622 1.533 1.00 0.00 N ATOM 710 CA THR A 48 0.915 13.986 1.981 1.00 0.00 C ATOM 711 C THR A 48 -0.313 14.892 1.935 1.00 0.00 C ATOM 712 O THR A 48 -1.321 14.564 1.342 1.00 0.00 O ATOM 713 CB THR A 48 1.982 14.460 0.994 1.00 0.00 C ATOM 714 OG1 THR A 48 2.533 13.339 0.319 1.00 0.00 O ATOM 715 CG2 THR A 48 3.088 15.198 1.750 1.00 0.00 C ATOM 0 H THR A 48 1.181 12.209 0.844 1.00 0.00 H new ATOM 0 HA THR A 48 1.284 14.004 3.007 1.00 0.00 H new ATOM 0 HB THR A 48 1.530 15.135 0.267 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.305 13.002 0.820 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.848 15.535 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.664 16.059 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.542 14.526 2.478 1.00 0.00 H new ATOM 723 N ALA A 49 -0.233 16.025 2.562 1.00 0.00 N ATOM 724 CA ALA A 49 -1.395 16.962 2.566 1.00 0.00 C ATOM 725 C ALA A 49 -1.668 17.468 1.153 1.00 0.00 C ATOM 726 O ALA A 49 -1.540 18.640 0.859 1.00 0.00 O ATOM 727 CB ALA A 49 -0.975 18.114 3.469 1.00 0.00 C ATOM 0 H ALA A 49 0.587 16.349 3.075 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.308 16.481 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.780 18.847 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.763 17.734 4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.081 18.587 3.063 1.00 0.00 H new ATOM 733 N GLY A 50 -2.038 16.583 0.281 1.00 0.00 N ATOM 734 CA GLY A 50 -2.323 16.981 -1.127 1.00 0.00 C ATOM 735 C GLY A 50 -1.593 16.027 -2.073 1.00 0.00 C ATOM 736 O GLY A 50 -1.208 16.390 -3.166 1.00 0.00 O ATOM 0 H GLY A 50 -2.158 15.590 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.396 16.951 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.997 18.006 -1.301 1.00 0.00 H new ATOM 740 N CYS A 51 -1.395 14.808 -1.652 1.00 0.00 N ATOM 741 CA CYS A 51 -0.689 13.821 -2.507 1.00 0.00 C ATOM 742 C CYS A 51 -1.581 12.592 -2.719 1.00 0.00 C ATOM 743 O CYS A 51 -2.279 12.488 -3.708 1.00 0.00 O ATOM 744 CB CYS A 51 0.569 13.488 -1.705 1.00 0.00 C ATOM 745 SG CYS A 51 2.014 13.632 -2.779 1.00 0.00 S ATOM 0 H CYS A 51 -1.696 14.454 -0.744 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.446 14.188 -3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.663 14.165 -0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.500 12.478 -1.301 1.00 0.00 H new ATOM 750 N HIS A 52 -1.595 11.680 -1.787 1.00 0.00 N ATOM 751 CA HIS A 52 -2.472 10.487 -1.923 1.00 0.00 C ATOM 752 C HIS A 52 -3.536 10.551 -0.828 1.00 0.00 C ATOM 753 O HIS A 52 -3.891 9.555 -0.234 1.00 0.00 O ATOM 754 CB HIS A 52 -1.559 9.277 -1.701 1.00 0.00 C ATOM 755 CG HIS A 52 -0.726 9.017 -2.920 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.299 8.831 -4.155 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.631 8.899 -3.109 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.307 8.610 -5.040 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.893 8.646 -4.451 1.00 0.00 N ATOM 0 H HIS A 52 -1.035 11.711 -0.935 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.969 10.432 -2.891 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.912 9.455 -0.842 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.160 8.398 -1.470 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.297 8.856 -4.364 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.378 8.989 -2.334 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.462 8.427 -6.093 1.00 0.00 H new ATOM 767 N ASP A 53 -4.024 11.727 -0.536 1.00 0.00 N ATOM 768 CA ASP A 53 -5.040 11.869 0.546 1.00 0.00 C ATOM 769 C ASP A 53 -6.466 11.844 -0.013 1.00 0.00 C ATOM 770 O ASP A 53 -7.363 12.438 0.550 1.00 0.00 O ATOM 771 CB ASP A 53 -4.744 13.226 1.187 1.00 0.00 C ATOM 772 CG ASP A 53 -5.600 13.394 2.444 1.00 0.00 C ATOM 773 OD1 ASP A 53 -6.722 13.856 2.316 1.00 0.00 O ATOM 774 OD2 ASP A 53 -5.118 13.058 3.514 1.00 0.00 O ATOM 0 H ASP A 53 -3.762 12.596 -1.001 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.981 11.046 1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.687 13.297 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.956 14.028 0.480 1.00 0.00 H new ATOM 779 N ASN A 54 -6.700 11.155 -1.099 1.00 0.00 N ATOM 780 CA ASN A 54 -8.088 11.107 -1.638 1.00 0.00 C ATOM 781 C ASN A 54 -8.899 10.088 -0.839 1.00 0.00 C ATOM 782 O ASN A 54 -8.725 8.894 -0.979 1.00 0.00 O ATOM 783 CB ASN A 54 -7.949 10.666 -3.095 1.00 0.00 C ATOM 784 CG ASN A 54 -8.916 11.470 -3.965 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.743 10.841 -4.755 1.00 0.00 O flip ATOM 786 ND2 ASN A 54 -8.919 12.685 -3.928 1.00 0.00 N flip ATOM 0 H ASN A 54 -6.002 10.632 -1.628 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.599 12.067 -1.567 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.925 10.817 -3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.161 9.601 -3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.273 13.178 -3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.567 13.211 -4.514 1.00 0.00 H new ATOM 793 N MET A 55 -9.774 10.547 0.012 1.00 0.00 N ATOM 794 CA MET A 55 -10.580 9.602 0.832 1.00 0.00 C ATOM 795 C MET A 55 -11.744 9.032 0.015 1.00 0.00 C ATOM 796 O MET A 55 -12.792 8.722 0.545 1.00 0.00 O ATOM 797 CB MET A 55 -11.103 10.441 1.996 1.00 0.00 C ATOM 798 CG MET A 55 -9.926 10.929 2.843 1.00 0.00 C ATOM 799 SD MET A 55 -9.091 9.507 3.590 1.00 0.00 S ATOM 800 CE MET A 55 -7.798 9.320 2.338 1.00 0.00 C ATOM 0 H MET A 55 -9.965 11.536 0.175 1.00 0.00 H new ATOM 0 HA MET A 55 -9.991 8.749 1.170 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.671 11.292 1.619 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.784 9.849 2.608 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.227 11.491 2.224 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.279 11.607 3.620 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.006 8.440 1.729 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.776 10.205 1.702 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.832 9.202 2.828 1.00 0.00 H new ATOM 810 N ASP A 56 -11.564 8.880 -1.269 1.00 0.00 N ATOM 811 CA ASP A 56 -12.655 8.317 -2.111 1.00 0.00 C ATOM 812 C ASP A 56 -12.365 6.844 -2.404 1.00 0.00 C ATOM 813 O ASP A 56 -13.205 6.119 -2.901 1.00 0.00 O ATOM 814 CB ASP A 56 -12.628 9.140 -3.400 1.00 0.00 C ATOM 815 CG ASP A 56 -14.057 9.341 -3.907 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.962 8.787 -3.307 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.222 10.046 -4.890 1.00 0.00 O ATOM 0 H ASP A 56 -10.709 9.121 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.630 8.365 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.156 10.106 -3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.031 8.631 -4.156 1.00 0.00 H new ATOM 822 N LYS A 57 -11.177 6.399 -2.097 1.00 0.00 N ATOM 823 CA LYS A 57 -10.822 4.975 -2.352 1.00 0.00 C ATOM 824 C LYS A 57 -11.280 4.562 -3.753 1.00 0.00 C ATOM 825 O LYS A 57 -11.492 3.399 -4.031 1.00 0.00 O ATOM 826 CB LYS A 57 -11.568 4.180 -1.281 1.00 0.00 C ATOM 827 CG LYS A 57 -11.375 4.843 0.084 1.00 0.00 C ATOM 828 CD LYS A 57 -12.620 4.606 0.943 1.00 0.00 C ATOM 829 CE LYS A 57 -12.937 5.871 1.745 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.277 5.620 2.345 1.00 0.00 N ATOM 0 H LYS A 57 -10.436 6.962 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.747 4.801 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.629 4.131 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.199 3.155 -1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.494 4.433 0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.203 5.912 -0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.467 4.343 0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.454 3.767 1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.186 6.049 2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.950 6.752 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.564 6.444 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.972 5.461 1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.232 4.779 2.956 1.00 0.00 H new ATOM 844 N LYS A 58 -11.433 5.511 -4.636 1.00 0.00 N ATOM 845 CA LYS A 58 -11.878 5.180 -6.021 1.00 0.00 C ATOM 846 C LYS A 58 -11.004 5.903 -7.050 1.00 0.00 C ATOM 847 O LYS A 58 -10.881 5.477 -8.181 1.00 0.00 O ATOM 848 CB LYS A 58 -13.321 5.676 -6.100 1.00 0.00 C ATOM 849 CG LYS A 58 -13.334 7.206 -6.143 1.00 0.00 C ATOM 850 CD LYS A 58 -13.419 7.676 -7.596 1.00 0.00 C ATOM 851 CE LYS A 58 -14.873 7.608 -8.071 1.00 0.00 C ATOM 852 NZ LYS A 58 -14.845 8.131 -9.466 1.00 0.00 N ATOM 0 H LYS A 58 -11.269 6.502 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.799 4.114 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.807 5.273 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.886 5.321 -5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.182 7.589 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.433 7.601 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.045 8.696 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.789 7.051 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.252 6.586 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.524 8.209 -7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.807 8.116 -9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.486 9.107 -9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.222 7.535 -10.048 1.00 0.00 H new ATOM 866 N ASP A 59 -10.396 6.995 -6.670 1.00 0.00 N ATOM 867 CA ASP A 59 -9.535 7.741 -7.631 1.00 0.00 C ATOM 868 C ASP A 59 -8.443 6.823 -8.187 1.00 0.00 C ATOM 869 O ASP A 59 -7.461 6.542 -7.530 1.00 0.00 O ATOM 870 CB ASP A 59 -8.917 8.874 -6.812 1.00 0.00 C ATOM 871 CG ASP A 59 -7.733 9.470 -7.575 1.00 0.00 C ATOM 872 OD1 ASP A 59 -6.677 8.858 -7.563 1.00 0.00 O ATOM 873 OD2 ASP A 59 -7.901 10.528 -8.159 1.00 0.00 O ATOM 0 H ASP A 59 -10.459 7.402 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.099 8.116 -8.485 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.663 9.645 -6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.587 8.498 -5.843 1.00 0.00 H new ATOM 878 N LYS A 60 -8.607 6.356 -9.395 1.00 0.00 N ATOM 879 CA LYS A 60 -7.577 5.459 -9.993 1.00 0.00 C ATOM 880 C LYS A 60 -6.413 6.288 -10.544 1.00 0.00 C ATOM 881 O LYS A 60 -5.545 5.780 -11.225 1.00 0.00 O ATOM 882 CB LYS A 60 -8.299 4.729 -11.126 1.00 0.00 C ATOM 883 CG LYS A 60 -8.877 3.413 -10.601 1.00 0.00 C ATOM 884 CD LYS A 60 -7.737 2.492 -10.164 1.00 0.00 C ATOM 885 CE LYS A 60 -7.932 1.106 -10.784 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.718 0.883 -11.617 1.00 0.00 N ATOM 0 H LYS A 60 -9.409 6.556 -9.993 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.157 4.766 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.097 5.355 -11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.607 4.533 -11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.544 3.606 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.472 2.930 -11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.779 2.909 -10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.714 2.416 -9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.029 0.340 -10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.838 1.068 -11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.801 -0.026 -12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.628 1.652 -12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.876 0.867 -11.007 1.00 0.00 H new ATOM 900 N SER A 61 -6.390 7.560 -10.255 1.00 0.00 N ATOM 901 CA SER A 61 -5.285 8.421 -10.763 1.00 0.00 C ATOM 902 C SER A 61 -4.073 8.335 -9.831 1.00 0.00 C ATOM 903 O SER A 61 -3.912 7.386 -9.090 1.00 0.00 O ATOM 904 CB SER A 61 -5.857 9.838 -10.767 1.00 0.00 C ATOM 905 OG SER A 61 -6.004 10.281 -12.110 1.00 0.00 O ATOM 0 H SER A 61 -7.089 8.041 -9.689 1.00 0.00 H new ATOM 0 HA SER A 61 -4.946 8.114 -11.753 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.821 9.855 -10.259 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.196 10.511 -10.220 1.00 0.00 H new ATOM 0 HG SER A 61 -6.372 11.189 -12.116 1.00 0.00 H new ATOM 911 N ALA A 62 -3.218 9.321 -9.866 1.00 0.00 N ATOM 912 CA ALA A 62 -2.015 9.300 -8.986 1.00 0.00 C ATOM 913 C ALA A 62 -2.239 10.182 -7.754 1.00 0.00 C ATOM 914 O ALA A 62 -1.307 10.714 -7.185 1.00 0.00 O ATOM 915 CB ALA A 62 -0.889 9.869 -9.851 1.00 0.00 C ATOM 0 H ALA A 62 -3.301 10.141 -10.467 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.789 8.298 -8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.037 9.889 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.756 9.242 -10.733 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.145 10.882 -10.161 1.00 0.00 H new ATOM 921 N LYS A 63 -3.466 10.350 -7.341 1.00 0.00 N ATOM 922 CA LYS A 63 -3.738 11.207 -6.152 1.00 0.00 C ATOM 923 C LYS A 63 -4.631 10.471 -5.151 1.00 0.00 C ATOM 924 O LYS A 63 -4.977 10.998 -4.112 1.00 0.00 O ATOM 925 CB LYS A 63 -4.466 12.429 -6.710 1.00 0.00 C ATOM 926 CG LYS A 63 -3.959 13.691 -6.009 1.00 0.00 C ATOM 927 CD LYS A 63 -5.088 14.296 -5.173 1.00 0.00 C ATOM 928 CE LYS A 63 -5.534 15.620 -5.797 1.00 0.00 C ATOM 929 NZ LYS A 63 -5.291 16.643 -4.743 1.00 0.00 N ATOM 0 H LYS A 63 -4.290 9.932 -7.774 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.824 11.474 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.299 12.505 -7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.541 12.324 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.109 13.449 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.610 14.414 -6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.929 13.604 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.749 14.460 -4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.966 15.842 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.586 15.588 -6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.573 17.580 -5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.850 16.410 -3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.280 16.655 -4.498 1.00 0.00 H new ATOM 943 N GLY A 64 -5.009 9.259 -5.450 1.00 0.00 N ATOM 944 CA GLY A 64 -5.879 8.502 -4.514 1.00 0.00 C ATOM 945 C GLY A 64 -5.020 7.847 -3.439 1.00 0.00 C ATOM 946 O GLY A 64 -3.875 7.506 -3.661 1.00 0.00 O ATOM 0 H GLY A 64 -4.752 8.762 -6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.607 9.171 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.442 7.743 -5.057 1.00 0.00 H new ATOM 950 N TYR A 65 -5.566 7.671 -2.274 1.00 0.00 N ATOM 951 CA TYR A 65 -4.788 7.040 -1.173 1.00 0.00 C ATOM 952 C TYR A 65 -4.901 5.518 -1.238 1.00 0.00 C ATOM 953 O TYR A 65 -4.060 4.805 -0.735 1.00 0.00 O ATOM 954 CB TYR A 65 -5.429 7.537 0.118 1.00 0.00 C ATOM 955 CG TYR A 65 -4.534 7.157 1.269 1.00 0.00 C ATOM 956 CD1 TYR A 65 -3.170 7.473 1.228 1.00 0.00 C ATOM 957 CD2 TYR A 65 -5.062 6.478 2.370 1.00 0.00 C ATOM 958 CE1 TYR A 65 -2.337 7.111 2.291 1.00 0.00 C ATOM 959 CE2 TYR A 65 -4.227 6.113 3.432 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.865 6.431 3.392 1.00 0.00 C ATOM 961 OH TYR A 65 -2.043 6.074 4.439 1.00 0.00 O ATOM 0 H TYR A 65 -6.521 7.937 -2.033 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.731 7.296 -1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.564 8.618 0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.418 7.096 0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.762 7.996 0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.114 6.235 2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.286 7.357 2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.634 5.586 4.282 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.582 5.939 5.246 1.00 0.00 H new ATOM 971 N TYR A 66 -5.944 5.014 -1.832 1.00 0.00 N ATOM 972 CA TYR A 66 -6.115 3.543 -1.904 1.00 0.00 C ATOM 973 C TYR A 66 -5.616 3.021 -3.256 1.00 0.00 C ATOM 974 O TYR A 66 -5.103 1.926 -3.357 1.00 0.00 O ATOM 975 CB TYR A 66 -7.625 3.344 -1.738 1.00 0.00 C ATOM 976 CG TYR A 66 -8.050 2.036 -2.350 1.00 0.00 C ATOM 977 CD1 TYR A 66 -7.999 1.872 -3.735 1.00 0.00 C ATOM 978 CD2 TYR A 66 -8.496 0.992 -1.532 1.00 0.00 C ATOM 979 CE1 TYR A 66 -8.395 0.660 -4.310 1.00 0.00 C ATOM 980 CE2 TYR A 66 -8.893 -0.222 -2.106 1.00 0.00 C ATOM 981 CZ TYR A 66 -8.842 -0.388 -3.495 1.00 0.00 C ATOM 982 OH TYR A 66 -9.233 -1.585 -4.061 1.00 0.00 O ATOM 0 H TYR A 66 -6.685 5.560 -2.271 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.548 3.000 -1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.887 3.360 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.161 4.166 -2.212 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.654 2.680 -4.362 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.534 1.122 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.356 0.532 -5.382 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.238 -1.030 -1.478 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.514 -2.204 -3.355 1.00 0.00 H new ATOM 992 N HIS A 67 -5.757 3.797 -4.293 1.00 0.00 N ATOM 993 CA HIS A 67 -5.285 3.339 -5.630 1.00 0.00 C ATOM 994 C HIS A 67 -3.784 3.038 -5.595 1.00 0.00 C ATOM 995 O HIS A 67 -3.365 1.900 -5.649 1.00 0.00 O ATOM 996 CB HIS A 67 -5.571 4.509 -6.575 1.00 0.00 C ATOM 997 CG HIS A 67 -4.753 4.345 -7.824 1.00 0.00 C ATOM 998 ND1 HIS A 67 -5.082 3.423 -8.803 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.600 4.955 -8.255 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -4.143 3.496 -9.762 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.217 4.416 -9.479 1.00 0.00 N ATOM 0 H HIS A 67 -6.177 4.726 -4.274 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.784 2.423 -5.947 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.632 4.542 -6.822 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.328 5.453 -6.088 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.890 2.801 -8.798 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.072 5.734 -7.725 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.138 2.885 -10.653 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.974 4.056 -5.518 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.496 3.847 -5.496 1.00 0.00 C ATOM 1011 C ALA A 68 -1.104 2.720 -4.532 1.00 0.00 C ATOM 1012 O ALA A 68 -0.034 2.158 -4.635 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.919 5.177 -5.012 1.00 0.00 C ATOM 0 H ALA A 68 -3.272 5.030 -5.469 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.120 3.557 -6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.168 5.107 -4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.204 5.970 -5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.309 5.403 -4.020 1.00 0.00 H new ATOM 1019 N MET A 69 -1.937 2.396 -3.584 1.00 0.00 N ATOM 1020 CA MET A 69 -1.568 1.321 -2.619 1.00 0.00 C ATOM 1021 C MET A 69 -2.069 -0.049 -3.072 1.00 0.00 C ATOM 1022 O MET A 69 -1.356 -1.028 -2.993 1.00 0.00 O ATOM 1023 CB MET A 69 -2.235 1.732 -1.313 1.00 0.00 C ATOM 1024 CG MET A 69 -1.637 3.059 -0.847 1.00 0.00 C ATOM 1025 SD MET A 69 -0.618 2.787 0.623 1.00 0.00 S ATOM 1026 CE MET A 69 0.623 4.054 0.264 1.00 0.00 C ATOM 0 H MET A 69 -2.851 2.824 -3.435 1.00 0.00 H new ATOM 0 HA MET A 69 -0.487 1.221 -2.527 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.311 1.833 -1.455 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.084 0.964 -0.555 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.034 3.497 -1.643 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.433 3.769 -0.623 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.443 3.972 0.977 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.006 3.913 -0.747 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.169 5.042 0.345 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.283 -0.142 -3.529 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.798 -1.469 -3.959 1.00 0.00 C ATOM 1038 C HIS A 70 -3.603 -1.671 -5.463 1.00 0.00 C ATOM 1039 O HIS A 70 -3.628 -2.781 -5.956 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.284 -1.442 -3.614 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.459 -1.030 -2.180 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.816 0.259 -1.824 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.333 -1.723 -1.004 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.895 0.303 -0.483 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.612 -0.879 0.065 1.00 0.00 N ATOM 0 H HIS A 70 -3.937 0.635 -3.623 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.272 -2.287 -3.467 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.808 -0.746 -4.270 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.724 -2.426 -3.777 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.988 1.035 -2.463 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.059 -2.764 -0.921 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.155 1.187 0.081 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.419 -0.611 -6.197 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.235 -0.750 -7.669 1.00 0.00 C ATOM 1055 C ASP A 71 -1.788 -1.128 -8.001 1.00 0.00 C ATOM 1056 O ASP A 71 -0.858 -0.429 -7.651 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.575 0.627 -8.229 1.00 0.00 C ATOM 1058 CG ASP A 71 -5.091 0.824 -8.196 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.661 0.703 -7.124 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.656 1.093 -9.243 1.00 0.00 O ATOM 0 H ASP A 71 -3.388 0.345 -5.843 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.862 -1.535 -8.092 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.083 1.403 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.207 0.718 -9.251 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.595 -2.227 -8.679 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.210 -2.648 -9.039 1.00 0.00 C ATOM 1067 C LYS A 72 0.245 -1.932 -10.311 1.00 0.00 C ATOM 1068 O LYS A 72 1.365 -1.468 -10.408 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.302 -4.157 -9.273 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.081 -4.429 -10.563 1.00 0.00 C ATOM 1071 CD LYS A 72 -1.324 -5.932 -10.704 1.00 0.00 C ATOM 1072 CE LYS A 72 -2.386 -6.180 -11.777 1.00 0.00 C ATOM 1073 NZ LYS A 72 -2.334 -7.645 -12.038 1.00 0.00 N ATOM 0 H LYS A 72 -2.336 -2.851 -8.999 1.00 0.00 H new ATOM 0 HA LYS A 72 0.513 -2.401 -8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.698 -4.586 -9.342 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.797 -4.637 -8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.032 -3.896 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.523 -4.058 -11.423 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.396 -6.437 -10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.650 -6.349 -9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.374 -5.875 -11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.174 -5.610 -12.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.035 -7.893 -12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.384 -7.905 -12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.547 -8.162 -11.161 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.615 -1.832 -11.283 1.00 0.00 N ATOM 1088 CA GLY A 73 -0.237 -1.140 -12.548 1.00 0.00 C ATOM 1089 C GLY A 73 -0.158 0.365 -12.294 1.00 0.00 C ATOM 1090 O GLY A 73 -0.836 1.150 -12.926 1.00 0.00 O ATOM 0 H GLY A 73 -1.566 -2.200 -11.258 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.723 -1.511 -12.907 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.971 -1.352 -13.326 1.00 0.00 H new ATOM 1094 N THR A 74 0.660 0.772 -11.362 1.00 0.00 N ATOM 1095 CA THR A 74 0.781 2.226 -11.054 1.00 0.00 C ATOM 1096 C THR A 74 2.111 2.779 -11.570 1.00 0.00 C ATOM 1097 O THR A 74 3.025 2.040 -11.874 1.00 0.00 O ATOM 1098 CB THR A 74 0.749 2.298 -9.527 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.509 1.223 -8.991 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.693 2.199 -9.032 1.00 0.00 C ATOM 0 H THR A 74 1.251 0.160 -10.800 1.00 0.00 H new ATOM 0 HA THR A 74 -0.010 2.810 -11.523 1.00 0.00 H new ATOM 0 HB THR A 74 1.174 3.248 -9.201 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.455 1.346 -9.217 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.708 2.251 -7.943 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.276 3.023 -9.443 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.125 1.252 -9.356 1.00 0.00 H new ATOM 1108 N LYS A 75 2.227 4.079 -11.653 1.00 0.00 N ATOM 1109 CA LYS A 75 3.504 4.685 -12.129 1.00 0.00 C ATOM 1110 C LYS A 75 4.686 3.897 -11.559 1.00 0.00 C ATOM 1111 O LYS A 75 5.600 3.521 -12.265 1.00 0.00 O ATOM 1112 CB LYS A 75 3.499 6.108 -11.559 1.00 0.00 C ATOM 1113 CG LYS A 75 4.539 6.952 -12.291 1.00 0.00 C ATOM 1114 CD LYS A 75 4.204 8.433 -12.120 1.00 0.00 C ATOM 1115 CE LYS A 75 5.408 9.281 -12.535 1.00 0.00 C ATOM 1116 NZ LYS A 75 5.228 9.516 -13.995 1.00 0.00 N ATOM 0 H LYS A 75 1.493 4.745 -11.412 1.00 0.00 H new ATOM 0 HA LYS A 75 3.593 4.678 -13.215 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.510 6.553 -11.671 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.719 6.085 -10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.534 6.745 -11.897 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.555 6.691 -13.349 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.337 8.693 -12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.941 8.640 -11.083 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.437 10.221 -11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.345 8.763 -12.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.153 9.479 -14.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.606 8.782 -14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.799 10.451 -14.146 1.00 0.00 H new ATOM 1130 N PHE A 76 4.660 3.646 -10.280 1.00 0.00 N ATOM 1131 CA PHE A 76 5.767 2.880 -9.634 1.00 0.00 C ATOM 1132 C PHE A 76 5.216 1.639 -8.947 1.00 0.00 C ATOM 1133 O PHE A 76 4.025 1.395 -8.953 1.00 0.00 O ATOM 1134 CB PHE A 76 6.336 3.829 -8.588 1.00 0.00 C ATOM 1135 CG PHE A 76 6.734 5.113 -9.261 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.903 5.175 -10.027 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.917 6.239 -9.132 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.251 6.370 -10.666 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.266 7.432 -9.767 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.432 7.497 -10.533 1.00 0.00 C ATOM 0 H PHE A 76 3.915 3.940 -9.648 1.00 0.00 H new ATOM 0 HA PHE A 76 6.514 2.552 -10.357 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.595 4.024 -7.813 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.198 3.377 -8.098 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.534 4.304 -10.125 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.015 6.186 -8.541 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.151 6.423 -11.261 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.636 8.303 -9.666 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.703 8.420 -11.024 1.00 0.00 H new ATOM 1150 N LYS A 77 6.059 0.856 -8.328 1.00 0.00 N ATOM 1151 CA LYS A 77 5.533 -0.337 -7.629 1.00 0.00 C ATOM 1152 C LYS A 77 4.830 0.120 -6.356 1.00 0.00 C ATOM 1153 O LYS A 77 5.423 0.682 -5.457 1.00 0.00 O ATOM 1154 CB LYS A 77 6.733 -1.217 -7.316 1.00 0.00 C ATOM 1155 CG LYS A 77 7.706 -0.471 -6.408 1.00 0.00 C ATOM 1156 CD LYS A 77 9.087 -1.128 -6.496 1.00 0.00 C ATOM 1157 CE LYS A 77 8.950 -2.648 -6.387 1.00 0.00 C ATOM 1158 NZ LYS A 77 9.563 -3.178 -7.637 1.00 0.00 N ATOM 0 H LYS A 77 7.069 0.992 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 77 4.812 -0.893 -8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.403 -2.136 -6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.234 -1.505 -8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.769 0.576 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.347 -0.489 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.565 -0.864 -7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.728 -0.754 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.462 -3.029 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.905 -2.946 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.508 -4.217 -7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.050 -2.804 -8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.559 -2.884 -7.687 1.00 0.00 H new ATOM 1172 N SER A 78 3.559 -0.093 -6.311 1.00 0.00 N ATOM 1173 CA SER A 78 2.743 0.344 -5.142 1.00 0.00 C ATOM 1174 C SER A 78 2.880 -0.625 -3.966 1.00 0.00 C ATOM 1175 O SER A 78 3.556 -1.631 -4.046 1.00 0.00 O ATOM 1176 CB SER A 78 1.309 0.333 -5.661 1.00 0.00 C ATOM 1177 OG SER A 78 1.150 -0.745 -6.572 1.00 0.00 O ATOM 0 H SER A 78 3.030 -0.561 -7.047 1.00 0.00 H new ATOM 0 HA SER A 78 3.060 1.319 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.610 0.229 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.081 1.278 -6.154 1.00 0.00 H new ATOM 0 HG SER A 78 0.215 -0.794 -6.861 1.00 0.00 H new ATOM 1183 N CYS A 79 2.223 -0.325 -2.877 1.00 0.00 N ATOM 1184 CA CYS A 79 2.287 -1.221 -1.690 1.00 0.00 C ATOM 1185 C CYS A 79 1.802 -2.616 -2.082 1.00 0.00 C ATOM 1186 O CYS A 79 2.562 -3.565 -2.115 1.00 0.00 O ATOM 1187 CB CYS A 79 1.345 -0.579 -0.671 1.00 0.00 C ATOM 1188 SG CYS A 79 1.886 1.119 -0.334 1.00 0.00 S ATOM 0 H CYS A 79 1.643 0.506 -2.760 1.00 0.00 H new ATOM 0 HA CYS A 79 3.295 -1.333 -1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.324 -0.578 -1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.339 -1.160 0.251 1.00 0.00 H new ATOM 1193 N VAL A 80 0.546 -2.741 -2.405 1.00 0.00 N ATOM 1194 CA VAL A 80 0.011 -4.067 -2.825 1.00 0.00 C ATOM 1195 C VAL A 80 0.606 -4.444 -4.184 1.00 0.00 C ATOM 1196 O VAL A 80 0.737 -5.606 -4.519 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.500 -3.870 -2.932 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.113 -5.024 -3.727 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.117 -3.833 -1.527 1.00 0.00 C ATOM 0 H VAL A 80 -0.135 -1.982 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 80 0.261 -4.865 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.704 -2.929 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.191 -4.882 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.679 -5.048 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.906 -5.966 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.195 -3.692 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.911 -4.772 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.684 -3.008 -0.961 1.00 0.00 H new ATOM 1209 N GLY A 81 0.974 -3.463 -4.968 1.00 0.00 N ATOM 1210 CA GLY A 81 1.568 -3.751 -6.303 1.00 0.00 C ATOM 1211 C GLY A 81 2.940 -4.399 -6.111 1.00 0.00 C ATOM 1212 O GLY A 81 3.283 -5.359 -6.772 1.00 0.00 O ATOM 0 H GLY A 81 0.887 -2.473 -4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.915 -4.414 -6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.664 -2.830 -6.878 1.00 0.00 H new ATOM 1216 N CYS A 82 3.720 -3.892 -5.194 1.00 0.00 N ATOM 1217 CA CYS A 82 5.061 -4.495 -4.943 1.00 0.00 C ATOM 1218 C CYS A 82 4.875 -5.750 -4.103 1.00 0.00 C ATOM 1219 O CYS A 82 5.634 -6.695 -4.182 1.00 0.00 O ATOM 1220 CB CYS A 82 5.840 -3.443 -4.151 1.00 0.00 C ATOM 1221 SG CYS A 82 7.589 -3.910 -4.089 1.00 0.00 S ATOM 0 H CYS A 82 3.488 -3.089 -4.610 1.00 0.00 H new ATOM 0 HA CYS A 82 5.582 -4.767 -5.861 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.730 -2.465 -4.619 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.438 -3.361 -3.141 1.00 0.00 H new ATOM 1226 N HIS A 83 3.854 -5.752 -3.298 1.00 0.00 N ATOM 1227 CA HIS A 83 3.575 -6.925 -2.438 1.00 0.00 C ATOM 1228 C HIS A 83 3.187 -8.126 -3.307 1.00 0.00 C ATOM 1229 O HIS A 83 3.812 -9.166 -3.250 1.00 0.00 O ATOM 1230 CB HIS A 83 2.421 -6.458 -1.550 1.00 0.00 C ATOM 1231 CG HIS A 83 2.992 -5.759 -0.348 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.312 -5.674 0.856 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.187 -5.112 -0.150 1.00 0.00 C ATOM 1234 CE1 HIS A 83 3.095 -5.002 1.717 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.249 -4.638 1.155 1.00 0.00 N ATOM 0 H HIS A 83 3.194 -4.980 -3.200 1.00 0.00 H new ATOM 0 HA HIS A 83 4.430 -7.252 -1.846 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.767 -5.785 -2.104 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.814 -7.309 -1.240 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.386 -6.053 1.053 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.960 -4.990 -0.894 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.823 -4.783 2.739 1.00 0.00 H new ATOM 1243 N LEU A 84 2.178 -7.992 -4.127 1.00 0.00 N ATOM 1244 CA LEU A 84 1.784 -9.121 -5.004 1.00 0.00 C ATOM 1245 C LEU A 84 3.007 -9.621 -5.777 1.00 0.00 C ATOM 1246 O LEU A 84 3.121 -10.788 -6.097 1.00 0.00 O ATOM 1247 CB LEU A 84 0.754 -8.518 -5.952 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.495 -9.391 -5.956 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.686 -8.576 -6.460 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.276 -10.596 -6.873 1.00 0.00 C ATOM 0 H LEU A 84 1.613 -7.148 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 84 1.385 -9.973 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.503 -7.505 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.166 -8.447 -6.959 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.696 -9.739 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.579 -9.201 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.844 -7.719 -5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.485 -8.226 -7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.170 -11.219 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.073 -10.250 -7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.572 -11.179 -6.512 1.00 0.00 H new ATOM 1262 N GLU A 85 3.927 -8.743 -6.070 1.00 0.00 N ATOM 1263 CA GLU A 85 5.150 -9.160 -6.812 1.00 0.00 C ATOM 1264 C GLU A 85 6.203 -9.674 -5.827 1.00 0.00 C ATOM 1265 O GLU A 85 6.767 -10.735 -6.006 1.00 0.00 O ATOM 1266 CB GLU A 85 5.643 -7.892 -7.512 1.00 0.00 C ATOM 1267 CG GLU A 85 4.641 -7.483 -8.594 1.00 0.00 C ATOM 1268 CD GLU A 85 4.621 -8.542 -9.699 1.00 0.00 C ATOM 1269 OE1 GLU A 85 5.667 -9.112 -9.964 1.00 0.00 O ATOM 1270 OE2 GLU A 85 3.561 -8.762 -10.261 1.00 0.00 O ATOM 0 H GLU A 85 3.884 -7.753 -5.827 1.00 0.00 H new ATOM 0 HA GLU A 85 4.953 -9.963 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.761 -7.086 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.623 -8.067 -7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.646 -7.375 -8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.915 -6.513 -9.010 1.00 0.00 H new ATOM 1277 N THR A 86 6.463 -8.935 -4.782 1.00 0.00 N ATOM 1278 CA THR A 86 7.470 -9.390 -3.783 1.00 0.00 C ATOM 1279 C THR A 86 7.048 -10.746 -3.211 1.00 0.00 C ATOM 1280 O THR A 86 7.826 -11.441 -2.590 1.00 0.00 O ATOM 1281 CB THR A 86 7.471 -8.309 -2.694 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.358 -7.264 -3.070 1.00 0.00 O ATOM 1283 CG2 THR A 86 7.929 -8.910 -1.361 1.00 0.00 C ATOM 0 H THR A 86 6.022 -8.038 -4.578 1.00 0.00 H new ATOM 0 HA THR A 86 8.463 -9.520 -4.214 1.00 0.00 H new ATOM 0 HB THR A 86 6.462 -7.913 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.842 -6.501 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.927 -8.136 -0.593 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.249 -9.711 -1.071 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.937 -9.311 -1.470 1.00 0.00 H new ATOM 1291 N ALA A 87 5.817 -11.126 -3.423 1.00 0.00 N ATOM 1292 CA ALA A 87 5.339 -12.437 -2.900 1.00 0.00 C ATOM 1293 C ALA A 87 5.487 -13.513 -3.976 1.00 0.00 C ATOM 1294 O ALA A 87 5.770 -14.661 -3.691 1.00 0.00 O ATOM 1295 CB ALA A 87 3.864 -12.214 -2.561 1.00 0.00 C ATOM 0 H ALA A 87 5.122 -10.584 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 87 5.908 -12.772 -2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.437 -13.137 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.778 -11.427 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.324 -11.919 -3.461 1.00 0.00 H new ATOM 1301 N GLY A 88 5.297 -13.149 -5.212 1.00 0.00 N ATOM 1302 CA GLY A 88 5.426 -14.142 -6.315 1.00 0.00 C ATOM 1303 C GLY A 88 4.427 -15.278 -6.098 1.00 0.00 C ATOM 1304 O GLY A 88 3.283 -15.057 -5.753 1.00 0.00 O ATOM 0 H GLY A 88 5.057 -12.203 -5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.242 -13.660 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.441 -14.537 -6.346 1.00 0.00 H new ATOM 1308 N ALA A 89 4.850 -16.495 -6.297 1.00 0.00 N ATOM 1309 CA ALA A 89 3.926 -17.647 -6.104 1.00 0.00 C ATOM 1310 C ALA A 89 3.997 -18.145 -4.662 1.00 0.00 C ATOM 1311 O ALA A 89 4.151 -19.323 -4.406 1.00 0.00 O ATOM 1312 CB ALA A 89 4.433 -18.721 -7.058 1.00 0.00 C ATOM 0 H ALA A 89 5.797 -16.742 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 89 2.888 -17.379 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.803 -19.607 -6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.399 -18.345 -8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.460 -18.981 -6.801 1.00 0.00 H new ATOM 1318 N ASP A 90 3.884 -17.257 -3.719 1.00 0.00 N ATOM 1319 CA ASP A 90 3.940 -17.671 -2.295 1.00 0.00 C ATOM 1320 C ASP A 90 2.638 -17.281 -1.602 1.00 0.00 C ATOM 1321 O ASP A 90 2.544 -16.264 -0.946 1.00 0.00 O ATOM 1322 CB ASP A 90 5.122 -16.910 -1.708 1.00 0.00 C ATOM 1323 CG ASP A 90 5.235 -17.208 -0.213 1.00 0.00 C ATOM 1324 OD1 ASP A 90 4.351 -17.869 0.308 1.00 0.00 O ATOM 1325 OD2 ASP A 90 6.204 -16.773 0.388 1.00 0.00 O ATOM 0 H ASP A 90 3.755 -16.257 -3.875 1.00 0.00 H new ATOM 0 HA ASP A 90 4.060 -18.747 -2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.042 -17.199 -2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.993 -15.839 -1.867 1.00 0.00 H new ATOM 1330 N ALA A 91 1.635 -18.089 -1.760 1.00 0.00 N ATOM 1331 CA ALA A 91 0.313 -17.790 -1.131 1.00 0.00 C ATOM 1332 C ALA A 91 0.513 -17.189 0.263 1.00 0.00 C ATOM 1333 O ALA A 91 -0.296 -16.415 0.735 1.00 0.00 O ATOM 1334 CB ALA A 91 -0.394 -19.142 -1.036 1.00 0.00 C ATOM 0 H ALA A 91 1.668 -18.953 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.265 -17.067 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.376 -19.008 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.510 -19.563 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.199 -19.820 -0.423 1.00 0.00 H new ATOM 1340 N ALA A 92 1.592 -17.520 0.913 1.00 0.00 N ATOM 1341 CA ALA A 92 1.850 -16.944 2.262 1.00 0.00 C ATOM 1342 C ALA A 92 2.280 -15.492 2.093 1.00 0.00 C ATOM 1343 O ALA A 92 1.851 -14.610 2.809 1.00 0.00 O ATOM 1344 CB ALA A 92 2.986 -17.784 2.849 1.00 0.00 C ATOM 0 H ALA A 92 2.306 -18.163 0.570 1.00 0.00 H new ATOM 0 HA ALA A 92 0.975 -16.962 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.232 -17.417 3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.673 -18.826 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.864 -17.708 2.207 1.00 0.00 H new ATOM 1350 N LYS A 93 3.113 -15.245 1.124 1.00 0.00 N ATOM 1351 CA LYS A 93 3.572 -13.859 0.860 1.00 0.00 C ATOM 1352 C LYS A 93 2.472 -13.095 0.123 1.00 0.00 C ATOM 1353 O LYS A 93 2.383 -11.886 0.193 1.00 0.00 O ATOM 1354 CB LYS A 93 4.798 -14.031 -0.027 1.00 0.00 C ATOM 1355 CG LYS A 93 6.056 -14.025 0.839 1.00 0.00 C ATOM 1356 CD LYS A 93 7.295 -13.987 -0.056 1.00 0.00 C ATOM 1357 CE LYS A 93 8.546 -13.834 0.812 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.617 -14.559 0.072 1.00 0.00 N ATOM 0 H LYS A 93 3.498 -15.952 0.498 1.00 0.00 H new ATOM 0 HA LYS A 93 3.801 -13.299 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.730 -14.966 -0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.845 -13.227 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.048 -13.161 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.079 -14.913 1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.358 -14.901 -0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.224 -13.157 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.804 -12.784 0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.393 -14.260 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.508 -14.500 0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.347 -15.557 -0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.745 -14.127 -0.866 1.00 0.00 H new ATOM 1372 N LYS A 94 1.623 -13.800 -0.579 1.00 0.00 N ATOM 1373 CA LYS A 94 0.518 -13.118 -1.315 1.00 0.00 C ATOM 1374 C LYS A 94 -0.580 -12.713 -0.330 1.00 0.00 C ATOM 1375 O LYS A 94 -1.566 -12.106 -0.695 1.00 0.00 O ATOM 1376 CB LYS A 94 -0.001 -14.153 -2.313 1.00 0.00 C ATOM 1377 CG LYS A 94 0.261 -13.659 -3.738 1.00 0.00 C ATOM 1378 CD LYS A 94 -0.963 -13.944 -4.611 1.00 0.00 C ATOM 1379 CE LYS A 94 -0.516 -14.603 -5.919 1.00 0.00 C ATOM 1380 NZ LYS A 94 -1.775 -15.062 -6.568 1.00 0.00 N ATOM 0 H LYS A 94 1.647 -14.815 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 94 0.849 -12.211 -1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.494 -15.111 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.068 -14.316 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.474 -12.590 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.139 -14.156 -4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.657 -14.597 -4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.496 -13.017 -4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.021 -13.898 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.158 -15.438 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.551 -15.525 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.261 -15.738 -5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.394 -14.245 -6.742 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.396 -13.017 0.924 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.398 -12.620 1.944 1.00 0.00 C ATOM 1396 C LYS A 95 -0.731 -11.573 2.819 1.00 0.00 C ATOM 1397 O LYS A 95 -1.183 -10.455 2.955 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.709 -13.903 2.726 1.00 0.00 C ATOM 1399 CG LYS A 95 -1.561 -13.655 4.230 1.00 0.00 C ATOM 1400 CD LYS A 95 -2.210 -14.805 5.003 1.00 0.00 C ATOM 1401 CE LYS A 95 -2.874 -14.260 6.269 1.00 0.00 C ATOM 1402 NZ LYS A 95 -3.272 -15.467 7.044 1.00 0.00 N ATOM 0 H LYS A 95 0.411 -13.526 1.285 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.320 -12.201 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.722 -14.237 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.035 -14.700 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.507 -13.575 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.031 -12.710 4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.950 -15.305 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.459 -15.550 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.186 -13.635 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.739 -13.643 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.735 -15.175 7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.932 -16.040 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.427 -16.031 7.266 1.00 0.00 H new ATOM 1416 N GLU A 96 0.382 -11.941 3.372 1.00 0.00 N ATOM 1417 CA GLU A 96 1.161 -11.010 4.208 1.00 0.00 C ATOM 1418 C GLU A 96 1.391 -9.701 3.449 1.00 0.00 C ATOM 1419 O GLU A 96 1.277 -8.621 3.992 1.00 0.00 O ATOM 1420 CB GLU A 96 2.474 -11.759 4.396 1.00 0.00 C ATOM 1421 CG GLU A 96 2.591 -12.228 5.842 1.00 0.00 C ATOM 1422 CD GLU A 96 4.061 -12.482 6.181 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.862 -11.587 5.964 1.00 0.00 O ATOM 1424 OE2 GLU A 96 4.362 -13.567 6.652 1.00 0.00 O ATOM 0 H GLU A 96 0.791 -12.870 3.275 1.00 0.00 H new ATOM 0 HA GLU A 96 0.677 -10.742 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.517 -12.614 3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.314 -11.111 4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.177 -11.476 6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.011 -13.139 5.988 1.00 0.00 H new ATOM 1431 N LEU A 97 1.722 -9.803 2.192 1.00 0.00 N ATOM 1432 CA LEU A 97 1.976 -8.587 1.370 1.00 0.00 C ATOM 1433 C LEU A 97 0.679 -8.038 0.777 1.00 0.00 C ATOM 1434 O LEU A 97 0.261 -6.943 1.094 1.00 0.00 O ATOM 1435 CB LEU A 97 2.912 -9.070 0.271 1.00 0.00 C ATOM 1436 CG LEU A 97 4.101 -9.785 0.909 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.212 -9.927 -0.123 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.613 -8.968 2.098 1.00 0.00 C ATOM 0 H LEU A 97 1.828 -10.687 1.694 1.00 0.00 H new ATOM 0 HA LEU A 97 2.401 -7.773 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.384 -9.745 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.257 -8.227 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 97 3.791 -10.771 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.064 -10.437 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.849 -10.507 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.520 -8.939 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.462 -9.479 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.925 -7.982 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.817 -8.860 2.835 1.00 0.00 H new ATOM 1450 N THR A 98 0.049 -8.772 -0.092 1.00 0.00 N ATOM 1451 CA THR A 98 -1.209 -8.263 -0.710 1.00 0.00 C ATOM 1452 C THR A 98 -2.431 -8.649 0.116 1.00 0.00 C ATOM 1453 O THR A 98 -3.492 -8.077 -0.030 1.00 0.00 O ATOM 1454 CB THR A 98 -1.275 -8.915 -2.086 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.070 -10.314 -1.958 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.192 -8.319 -2.982 1.00 0.00 C ATOM 0 H THR A 98 0.346 -9.697 -0.402 1.00 0.00 H new ATOM 0 HA THR A 98 -1.208 -7.174 -0.767 1.00 0.00 H new ATOM 0 HB THR A 98 -2.254 -8.732 -2.529 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.788 -10.702 -1.415 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.238 -8.784 -3.967 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.351 -7.245 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.787 -8.501 -2.540 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.303 -9.607 0.982 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.473 -10.001 1.802 1.00 0.00 C ATOM 1466 C GLY A 99 -4.075 -8.751 2.432 1.00 0.00 C ATOM 1467 O GLY A 99 -3.397 -7.973 3.067 1.00 0.00 O ATOM 0 H GLY A 99 -1.446 -10.131 1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.215 -10.506 1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.171 -10.706 2.577 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.341 -8.544 2.259 1.00 0.00 N ATOM 1472 CA CYS A 100 -5.969 -7.338 2.864 1.00 0.00 C ATOM 1473 C CYS A 100 -6.225 -7.591 4.339 1.00 0.00 C ATOM 1474 O CYS A 100 -5.665 -6.952 5.196 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.308 -7.118 2.159 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.368 -7.997 0.569 1.00 0.00 S ATOM 0 H CYS A 100 -5.969 -9.149 1.730 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.320 -6.469 2.756 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.120 -7.464 2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.464 -6.052 1.994 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.075 -8.522 4.642 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.366 -8.807 6.070 1.00 0.00 C ATOM 1483 C LYS A 101 -6.563 -10.020 6.546 1.00 0.00 C ATOM 1484 O LYS A 101 -6.759 -11.127 6.085 1.00 0.00 O ATOM 1485 CB LYS A 101 -8.866 -9.097 6.122 1.00 0.00 C ATOM 1486 CG LYS A 101 -9.222 -10.147 5.067 1.00 0.00 C ATOM 1487 CD LYS A 101 -10.226 -11.141 5.653 1.00 0.00 C ATOM 1488 CE LYS A 101 -10.610 -12.169 4.586 1.00 0.00 C ATOM 1489 NZ LYS A 101 -11.630 -13.037 5.237 1.00 0.00 N ATOM 0 H LYS A 101 -7.580 -9.097 3.968 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.092 -7.975 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.144 -9.454 7.114 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.430 -8.182 5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.645 -9.664 4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.323 -10.671 4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.793 -11.644 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.114 -10.614 6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.014 -11.684 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.744 -12.749 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.943 -13.768 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.215 -13.491 6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.446 -12.459 5.524 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.659 -9.819 7.466 1.00 0.00 N ATOM 1504 CA GLY A 102 -4.843 -10.959 7.971 1.00 0.00 C ATOM 1505 C GLY A 102 -3.408 -10.828 7.458 1.00 0.00 C ATOM 1506 O GLY A 102 -2.531 -11.578 7.840 1.00 0.00 O ATOM 0 H GLY A 102 -5.451 -8.915 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.851 -10.971 9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.274 -11.903 7.639 1.00 0.00 H new ATOM 1510 N SER A 103 -3.160 -9.881 6.595 1.00 0.00 N ATOM 1511 CA SER A 103 -1.783 -9.702 6.057 1.00 0.00 C ATOM 1512 C SER A 103 -0.912 -8.940 7.056 1.00 0.00 C ATOM 1513 O SER A 103 -1.140 -8.968 8.249 1.00 0.00 O ATOM 1514 CB SER A 103 -1.961 -8.884 4.783 1.00 0.00 C ATOM 1515 OG SER A 103 -2.539 -7.627 5.114 1.00 0.00 O ATOM 0 H SER A 103 -3.853 -9.223 6.239 1.00 0.00 H new ATOM 0 HA SER A 103 -1.291 -10.656 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.999 -8.738 4.292 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.600 -9.418 4.079 1.00 0.00 H new ATOM 0 HG SER A 103 -3.117 -7.330 4.381 1.00 0.00 H new ATOM 1521 N LYS A 104 0.079 -8.251 6.567 1.00 0.00 N ATOM 1522 CA LYS A 104 0.971 -7.467 7.461 1.00 0.00 C ATOM 1523 C LYS A 104 0.578 -6.005 7.379 1.00 0.00 C ATOM 1524 O LYS A 104 0.791 -5.223 8.285 1.00 0.00 O ATOM 1525 CB LYS A 104 2.359 -7.657 6.869 1.00 0.00 C ATOM 1526 CG LYS A 104 2.823 -9.098 7.093 1.00 0.00 C ATOM 1527 CD LYS A 104 3.986 -9.110 8.088 1.00 0.00 C ATOM 1528 CE LYS A 104 3.992 -10.437 8.850 1.00 0.00 C ATOM 1529 NZ LYS A 104 5.138 -10.331 9.797 1.00 0.00 N ATOM 0 H LYS A 104 0.311 -8.198 5.575 1.00 0.00 H new ATOM 0 HA LYS A 104 0.918 -7.778 8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.344 -7.431 5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.060 -6.963 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.999 -9.702 7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.134 -9.542 6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.931 -8.977 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.890 -8.278 8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.053 -10.591 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.117 -11.281 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.208 -11.205 10.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.019 -10.191 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.988 -9.523 10.434 1.00 0.00 H new ATOM 1543 N CYS A 105 0.023 -5.640 6.267 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.385 -4.237 6.042 1.00 0.00 C ATOM 1545 C CYS A 105 -1.718 -3.940 6.738 1.00 0.00 C ATOM 1546 O CYS A 105 -2.019 -2.809 7.064 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.529 -4.153 4.526 1.00 0.00 C ATOM 1548 SG CYS A 105 0.269 -2.645 3.922 1.00 0.00 S ATOM 0 H CYS A 105 -0.169 -6.270 5.488 1.00 0.00 H new ATOM 0 HA CYS A 105 0.326 -3.514 6.442 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.077 -5.028 4.059 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.584 -4.154 4.250 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.520 -4.943 6.966 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.833 -4.713 7.641 1.00 0.00 C ATOM 1555 C HIS A 106 -3.925 -5.550 8.921 1.00 0.00 C ATOM 1556 O HIS A 106 -4.764 -6.420 9.045 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.882 -5.170 6.627 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.252 -4.020 5.731 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.291 -2.716 6.198 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.553 -3.950 4.387 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.593 -1.919 5.160 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.755 -2.612 4.030 1.00 0.00 N ATOM 0 H HIS A 106 -2.325 -5.912 6.715 1.00 0.00 H new ATOM 0 HA HIS A 106 -3.971 -3.672 7.932 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.492 -5.996 6.033 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.767 -5.540 7.145 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.121 -2.415 7.158 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.622 -4.794 3.716 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.693 -0.846 5.231 1.00 0.00 H new ATOM 1570 N SER A 107 -3.070 -5.295 9.874 1.00 0.00 N ATOM 1571 CA SER A 107 -3.113 -6.076 11.142 1.00 0.00 C ATOM 1572 C SER A 107 -4.458 -5.872 11.845 1.00 0.00 C ATOM 1573 O SER A 107 -4.828 -6.726 12.634 1.00 0.00 O ATOM 1574 CB SER A 107 -1.974 -5.517 11.992 1.00 0.00 C ATOM 1575 OG SER A 107 -1.676 -6.432 13.039 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.095 -4.865 11.581 1.00 0.00 O ATOM 0 H SER A 107 -2.344 -4.580 9.829 1.00 0.00 H new ATOM 0 HA SER A 107 -3.005 -7.147 10.970 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.091 -5.353 11.375 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.256 -4.550 12.408 1.00 0.00 H new ATOM 0 HG SER A 107 -0.944 -6.077 13.585 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.232 6.697 3.378 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.718 8.192 5.068 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.374 9.026 4.564 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.764 5.206 1.708 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.093 4.377 2.253 1.00 0.00 C HETATM 1588 NA HEC A 201 9.072 8.263 4.504 1.00 0.00 N HETATM 1589 C1A HEC A 201 7.948 8.735 5.144 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.224 9.823 6.017 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.529 10.044 5.938 1.00 0.00 C HETATM 1592 C4A HEC A 201 10.061 9.111 4.955 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.235 10.959 6.912 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.237 10.562 6.905 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.617 11.736 6.148 1.00 0.00 C HETATM 1596 CGA HEC A 201 7.395 13.015 6.461 1.00 0.00 C HETATM 1597 O1A HEC A 201 8.188 13.420 5.628 1.00 0.00 O HETATM 1598 O2A HEC A 201 7.183 13.569 7.528 1.00 0.00 O HETATM 1599 NB HEC A 201 11.129 7.036 3.181 1.00 0.00 N HETATM 1600 C1B HEC A 201 11.878 8.046 3.746 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.271 7.942 3.382 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.378 6.877 2.567 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.052 6.324 2.445 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.400 8.838 3.858 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.643 6.348 1.909 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.656 5.811 2.921 1.00 0.00 C HETATM 1607 NC HEC A 201 9.405 5.119 2.266 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.530 4.626 1.643 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.238 3.449 0.863 1.00 0.00 C HETATM 1610 C3C HEC A 201 8.919 3.250 0.995 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.411 4.269 1.871 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.214 2.604 0.060 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.065 2.220 0.296 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.549 0.781 0.484 1.00 0.00 C HETATM 1615 ND HEC A 201 7.338 6.368 3.604 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.592 5.336 3.099 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.229 5.395 3.588 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.124 6.509 4.322 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.427 7.087 4.343 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.144 4.356 3.427 1.00 0.00 C HETATM 1621 CAD HEC A 201 3.890 7.082 4.999 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.267 6.062 5.952 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.237 6.757 6.844 1.00 0.00 C HETATM 1624 O1D HEC A 201 2.008 6.272 7.941 1.00 0.00 O HETATM 1625 O2D HEC A 201 1.693 7.761 6.415 1.00 0.00 O HETATM 0 HMD3 HEC A 201 3.952 4.192 2.367 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.464 3.421 3.887 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.232 4.705 3.911 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.686 3.221 -0.705 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 11.979 2.201 0.724 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.678 1.783 -0.416 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.197 9.867 3.562 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.477 8.781 4.944 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.338 8.510 3.410 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 9.809 11.960 6.845 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.109 10.578 7.926 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.297 10.999 6.669 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 2.791 5.262 5.385 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 4.042 5.601 6.565 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.560 0.683 0.089 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 8.549 0.533 1.545 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 7.884 0.101 -0.048 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 15.945 6.609 3.605 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.208 4.994 3.486 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.538 5.447 2.395 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.634 11.541 5.076 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.572 11.855 6.433 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.158 7.984 5.550 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.159 7.375 4.245 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 6.454 9.880 7.236 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 7.743 10.924 7.800 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.392 3.644 1.853 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.572 4.750 1.136 1.00 0.00 H new HETATM 0 HHB HEC A 201 12.063 9.788 4.928 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.910 8.670 5.622 1.00 0.00 H new HETATM 1658 FE HEC A 202 2.932 8.579 -5.293 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.753 8.126 -8.408 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.917 5.267 -4.894 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.163 8.963 -2.190 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.801 11.903 -5.725 1.00 0.00 C HETATM 1663 NA HEC A 202 2.421 7.077 -6.366 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.828 7.074 -7.587 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.281 5.810 -7.910 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.651 4.973 -6.949 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.384 5.762 -6.016 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.314 3.507 -6.839 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.439 5.498 -9.113 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.697 6.498 -9.325 1.00 0.00 C HETATM 1671 CGA HEC A 202 -1.498 6.103 -10.567 1.00 0.00 C HETATM 1672 O1A HEC A 202 -2.215 6.948 -11.077 1.00 0.00 O HETATM 1673 O2A HEC A 202 -1.382 4.963 -10.985 1.00 0.00 O HETATM 1674 NB HEC A 202 3.506 7.390 -3.911 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.461 6.018 -3.916 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.863 5.445 -2.677 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.143 6.462 -1.865 1.00 0.00 C HETATM 1678 C4B HEC A 202 3.955 7.684 -2.643 1.00 0.00 C HETATM 1679 CMB HEC A 202 3.924 3.964 -2.345 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.481 6.248 -0.407 1.00 0.00 C HETATM 1681 CBB HEC A 202 5.976 6.042 -0.170 1.00 0.00 C HETATM 1682 NC HEC A 202 3.415 10.093 -4.208 1.00 0.00 N HETATM 1683 C1C HEC A 202 3.948 10.103 -2.938 1.00 0.00 C HETATM 1684 C2C HEC A 202 4.197 11.458 -2.490 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.752 12.263 -3.490 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.296 11.414 -4.541 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.843 11.877 -1.178 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.634 13.775 -3.569 1.00 0.00 C HETATM 1689 CBC HEC A 202 4.304 14.541 -2.431 1.00 0.00 C HETATM 1690 ND HEC A 202 2.360 9.753 -6.732 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.364 11.126 -6.776 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.089 11.594 -8.125 1.00 0.00 C HETATM 1693 C3D HEC A 202 1.941 10.493 -8.889 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.028 9.389 -8.011 1.00 0.00 C HETATM 1695 CMD HEC A 202 2.011 13.021 -8.625 1.00 0.00 C HETATM 1696 CAD HEC A 202 1.952 10.334 -10.400 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.225 10.948 -10.974 1.00 0.00 C HETATM 1698 CGD HEC A 202 3.125 11.001 -12.501 1.00 0.00 C HETATM 1699 O1D HEC A 202 2.167 10.464 -13.031 1.00 0.00 O HETATM 1700 O2D HEC A 202 4.008 11.578 -13.112 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.225 13.552 -8.089 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 2.966 13.519 -8.455 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.787 13.021 -9.692 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 4.249 11.502 -0.344 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.850 11.465 -1.120 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.893 12.965 -1.128 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 2.932 3.526 -2.452 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.615 3.467 -3.025 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.269 3.835 -1.319 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.232 3.385 -6.791 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.700 2.978 -7.710 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.766 3.097 -5.936 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.370 11.951 -10.574 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 4.092 10.358 -10.676 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 3.858 14.245 -1.481 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 5.370 14.314 -2.418 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 4.163 15.611 -2.580 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.314 5.165 -0.722 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.523 6.920 -0.513 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.159 5.893 0.894 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.347 6.517 -8.450 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.293 7.504 -9.444 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.895 9.278 -10.664 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.076 10.818 -10.832 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 1.073 5.484 -9.999 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 0.019 4.498 -9.006 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.750 12.985 -5.842 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.523 9.087 -1.169 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.911 4.185 -4.762 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.457 7.958 -9.444 1.00 0.00 H new HETATM 0 HAC HEC A 202 3.108 14.278 -4.381 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.966 -3.487 2.087 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.820 -6.068 4.081 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.736 -2.422 4.369 1.00 0.00 C HETATM 1736 CHC HEC A 203 5.226 -0.820 0.161 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.325 -4.434 -0.140 1.00 0.00 C HETATM 1738 NA HEC A 203 5.402 -4.108 3.839 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.841 -5.214 4.529 1.00 0.00 C HETATM 1740 C2A HEC A 203 5.106 -5.379 5.760 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.227 -4.369 5.828 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.423 -3.575 4.646 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.204 -4.152 6.929 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.235 -6.486 6.783 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.693 -6.915 6.957 1.00 0.00 C HETATM 1746 CGA HEC A 203 6.973 -7.190 8.435 1.00 0.00 C HETATM 1747 O1A HEC A 203 6.266 -6.640 9.264 1.00 0.00 O HETATM 1748 O2A HEC A 203 7.890 -7.945 8.715 1.00 0.00 O HETATM 1749 NB HEC A 203 4.799 -1.936 2.261 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.935 -1.636 3.281 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.229 -0.402 3.051 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.647 0.030 1.855 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.621 -0.909 1.380 1.00 0.00 C HETATM 1754 CMB HEC A 203 2.215 0.261 3.971 1.00 0.00 C HETATM 1755 CAB HEC A 203 3.084 1.151 1.023 1.00 0.00 C HETATM 1756 CBB HEC A 203 4.020 2.362 0.934 1.00 0.00 C HETATM 1757 NC HEC A 203 6.600 -2.805 0.382 1.00 0.00 N HETATM 1758 C1C HEC A 203 6.157 -1.702 -0.310 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.817 -1.568 -1.579 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.678 -2.600 -1.660 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.563 -3.337 -0.436 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.562 -0.481 -2.610 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.529 -2.999 -2.841 1.00 0.00 C HETATM 1764 CBC HEC A 203 9.065 -1.777 -3.589 1.00 0.00 C HETATM 1765 ND HEC A 203 7.254 -4.955 1.973 1.00 0.00 N HETATM 1766 C1D HEC A 203 8.191 -5.193 0.992 1.00 0.00 C HETATM 1767 C2D HEC A 203 9.023 -6.326 1.319 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.572 -6.808 2.489 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.483 -5.951 2.891 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.219 -6.841 0.538 1.00 0.00 C HETATM 1771 CAD HEC A 203 9.108 -8.018 3.238 1.00 0.00 C HETATM 1772 CBD HEC A 203 8.501 -9.314 2.694 1.00 0.00 C HETATM 1773 CGD HEC A 203 8.119 -10.228 3.860 1.00 0.00 C HETATM 1774 O1D HEC A 203 8.782 -11.236 4.039 1.00 0.00 O HETATM 1775 O2D HEC A 203 7.168 -9.904 4.554 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.904 -7.121 -0.467 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.977 -6.060 0.477 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.636 -7.712 1.043 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.520 -0.519 -2.928 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.772 0.494 -2.170 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 7.211 -0.638 -3.472 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.373 -0.413 4.130 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.685 0.487 4.928 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.859 1.185 3.515 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.532 -5.009 6.976 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.716 -4.040 7.885 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.628 -3.251 6.718 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 7.622 -9.091 2.090 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 9.216 -9.817 2.043 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 8.230 -1.179 -3.954 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.674 -1.176 -2.914 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.673 -2.104 -4.432 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 4.204 2.754 1.934 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 4.965 2.059 0.483 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 3.557 3.135 0.321 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 6.893 -7.809 6.366 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.359 -6.134 6.589 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 10.194 -8.055 3.147 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 8.880 -7.923 4.300 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.836 -6.148 7.740 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.636 -7.342 6.473 1.00 0.00 H new HETATM 0 HHD HEC A 203 9.094 -4.725 -0.856 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.947 0.014 -0.483 1.00 0.00 H new HETATM 0 HHB HEC A 203 2.969 -2.112 5.079 1.00 0.00 H new HETATM 0 HHA HEC A 203 7.089 -6.905 4.725 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.706 -1.705 2.082 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.464 1.303 3.432 1.00 0.00 C HETATM 1810 CHB HEC A 204 -8.914 -2.140 1.242 1.00 0.00 C HETATM 1811 CHC HEC A 204 -4.937 -4.790 0.965 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.432 -1.066 2.539 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.333 -0.722 2.413 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.487 0.501 3.026 1.00 0.00 C HETATM 1815 C2A HEC A 204 -8.838 0.969 2.956 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.531 0.037 2.277 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.599 -1.019 1.965 1.00 0.00 C HETATM 1818 CMA HEC A 204 -10.982 0.138 1.836 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.363 2.295 3.476 1.00 0.00 C HETATM 1820 CBA HEC A 204 -10.055 3.057 2.347 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.601 4.380 2.885 1.00 0.00 C HETATM 1822 O1A HEC A 204 -10.194 5.415 2.382 1.00 0.00 O HETATM 1823 O2A HEC A 204 -11.418 4.337 3.790 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.702 -3.141 1.292 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.026 -3.133 0.910 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.358 -4.300 0.130 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.236 -5.043 0.105 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.227 -4.336 0.825 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.691 -4.621 -0.527 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.057 -6.468 -0.344 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.631 -6.526 -1.807 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.064 -2.689 1.774 1.00 0.00 N HETATM 1833 C1C HEC A 204 -3.917 -4.005 1.408 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.554 -4.451 1.528 1.00 0.00 C HETATM 1835 C3C HEC A 204 -1.861 -3.376 1.931 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.784 -2.290 2.047 1.00 0.00 C HETATM 1837 CMC HEC A 204 -2.030 -5.862 1.329 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.430 -3.309 2.395 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.587 -3.414 1.257 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.683 -0.206 2.764 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.318 -0.080 2.863 1.00 0.00 C HETATM 1842 C2D HEC A 204 -2.936 1.191 3.431 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.082 1.845 3.683 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.150 0.977 3.287 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.528 1.688 3.711 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.240 3.236 4.259 1.00 0.00 C HETATM 1847 CBD HEC A 204 -3.848 3.253 5.735 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.650 4.332 6.464 1.00 0.00 C HETATM 1849 O1D HEC A 204 -5.608 3.980 7.134 1.00 0.00 O HETATM 1850 O2D HEC A 204 -4.294 5.491 6.341 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.037 1.013 4.412 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -0.962 1.720 2.780 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.574 2.688 4.142 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.512 -6.533 2.040 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.249 -6.191 0.313 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -0.952 -5.876 1.491 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.468 -4.677 0.235 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -9.941 -3.839 -1.243 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.621 -5.578 -1.044 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.620 0.262 2.711 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -11.102 0.996 1.175 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.265 -0.771 1.306 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -4.038 2.278 6.184 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.780 3.448 5.836 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.457 -4.364 0.739 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.434 -2.594 0.555 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.596 -3.358 1.665 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.394 -6.056 -2.427 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.686 -5.997 -1.932 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.508 -7.566 -2.109 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.351 3.245 1.536 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -10.866 2.458 1.933 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -3.618 3.938 3.704 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.273 3.567 4.147 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -10.063 2.124 4.294 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.542 2.889 3.878 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.371 -0.863 2.683 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.721 -5.827 0.709 1.00 0.00 H new HETATM 0 HHB HEC A 204 -9.945 -2.251 0.906 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.710 2.257 3.898 1.00 0.00 H new