USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 108 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN : amide:sc= -0.35 K(o=-0.35,f=-1.2) USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 20 THR OG1 : rot -90:sc= 1.37 USER MOD Set 2.2: A 30 GLN : amide:sc= 2.04 K(o=3.4,f=-1.6) USER MOD Set 2.3: A 34 GLN : amide:sc= 0.00153 K(o=3.4,f=-1.6) USER MOD Set 3.1: A 3 THR OG1 : rot -117:sc= -0.586! USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0.0682 USER MOD Set 4.1: A 1 MET N :NH3+ -178:sc= 0.285 (180deg=0) USER MOD Set 4.2: A 2 GLN : amide:sc= 1.12 K(o=1.4,f=-5.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0104) USER MOD Single : A 10 LYS NZ :NH3+ -117:sc= 0.0554 (180deg=-0.332) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.815 USER MOD Single : A 19 GLN : amide:sc= -0.241 K(o=-0.24,f=-4.8!) USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.764 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 0.0731 (180deg=0.0273) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.16 K(o=0.16,f=-4.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -150:sc= -3.11! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 176:sc= 0 (180deg=-0.019) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= -1.91! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.427 USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= 0.00935 (180deg=-0.0871) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.922 12.729 2.053 1.00 0.00 N ATOM 2 CA MET A 1 -0.396 11.453 2.613 1.00 0.00 C ATOM 3 C MET A 1 0.571 10.680 1.714 1.00 0.00 C ATOM 4 O MET A 1 0.661 9.449 1.737 1.00 0.00 O ATOM 5 CB MET A 1 -1.580 10.558 3.016 1.00 0.00 C ATOM 6 CG MET A 1 -2.182 10.980 4.345 1.00 0.00 C ATOM 7 SD MET A 1 -3.436 9.783 4.919 1.00 0.00 S ATOM 8 CE MET A 1 -4.474 10.918 5.797 1.00 0.00 C ATOM 0 H1 MET A 1 -1.539 13.188 2.754 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.128 13.361 1.824 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.467 12.531 1.190 1.00 0.00 H new ATOM 0 HA MET A 1 0.208 11.736 3.475 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.346 10.598 2.241 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.247 9.522 3.081 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.393 11.069 5.092 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.637 11.965 4.244 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.316 10.379 6.232 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.900 11.397 6.590 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.846 11.677 5.109 1.00 0.00 H new ATOM 9 N GLN A 2 1.482 11.471 1.166 1.00 0.00 N ATOM 10 CA GLN A 2 2.403 11.067 0.097 1.00 0.00 C ATOM 11 C GLN A 2 3.625 10.278 0.601 1.00 0.00 C ATOM 12 O GLN A 2 4.739 10.784 0.690 1.00 0.00 O ATOM 13 CB GLN A 2 2.724 12.284 -0.782 1.00 0.00 C ATOM 14 CG GLN A 2 3.427 13.495 -0.130 1.00 0.00 C ATOM 15 CD GLN A 2 2.510 14.480 0.594 1.00 0.00 C ATOM 16 OE1 GLN A 2 1.800 14.177 1.557 1.00 0.00 O ATOM 17 NE2 GLN A 2 2.436 15.704 0.113 1.00 0.00 N ATOM 0 H GLN A 2 1.610 12.440 1.456 1.00 0.00 H new ATOM 0 HA GLN A 2 1.908 10.334 -0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 2 3.349 11.942 -1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.788 12.637 -1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.166 13.124 0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.972 14.035 -0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.014 15.975 -0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.801 16.381 0.536 1.00 0.00 H new ATOM 19 N THR A 3 3.323 9.078 1.085 1.00 0.00 N ATOM 20 CA THR A 3 4.305 8.056 1.496 1.00 0.00 C ATOM 21 C THR A 3 3.742 6.657 1.227 1.00 0.00 C ATOM 22 O THR A 3 2.534 6.427 1.371 1.00 0.00 O ATOM 23 CB THR A 3 4.691 8.103 2.990 1.00 0.00 C ATOM 24 OG1 THR A 3 3.562 7.816 3.811 1.00 0.00 O ATOM 25 CG2 THR A 3 5.361 9.412 3.422 1.00 0.00 C ATOM 0 H THR A 3 2.359 8.771 1.210 1.00 0.00 H new ATOM 0 HA THR A 3 5.198 8.273 0.910 1.00 0.00 H new ATOM 0 HB THR A 3 5.445 7.328 3.127 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.352 8.598 4.363 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.601 9.365 4.484 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.277 9.558 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.682 10.245 3.240 1.00 0.00 H new ATOM 28 N LEU A 4 4.691 5.755 0.999 1.00 0.00 N ATOM 29 CA LEU A 4 4.492 4.309 0.777 1.00 0.00 C ATOM 30 C LEU A 4 3.395 3.665 1.638 1.00 0.00 C ATOM 31 O LEU A 4 2.471 3.039 1.145 1.00 0.00 O ATOM 32 CB LEU A 4 5.809 3.567 1.038 1.00 0.00 C ATOM 33 CG LEU A 4 6.800 3.808 -0.097 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.849 4.855 0.276 1.00 0.00 C ATOM 35 CD2 LEU A 4 7.492 2.483 -0.423 1.00 0.00 C ATOM 0 H LEU A 4 5.676 6.017 0.960 1.00 0.00 H new ATOM 0 HA LEU A 4 4.164 4.219 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.240 3.903 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.616 2.499 1.138 1.00 0.00 H new ATOM 0 HG LEU A 4 6.254 4.186 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.535 4.997 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.355 5.800 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.406 4.517 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.205 2.635 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.018 2.120 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.747 1.749 -0.729 1.00 0.00 H new ATOM 37 N SER A 5 3.448 4.029 2.918 1.00 0.00 N ATOM 38 CA SER A 5 2.585 3.462 3.961 1.00 0.00 C ATOM 39 C SER A 5 1.190 4.057 4.032 1.00 0.00 C ATOM 40 O SER A 5 0.220 3.399 3.670 1.00 0.00 O ATOM 41 CB SER A 5 3.352 3.661 5.281 1.00 0.00 C ATOM 42 OG SER A 5 3.810 5.005 5.414 1.00 0.00 O ATOM 0 H SER A 5 4.098 4.734 3.267 1.00 0.00 H new ATOM 0 HA SER A 5 2.392 2.413 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.705 3.410 6.122 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.202 2.979 5.317 1.00 0.00 H new ATOM 0 HG SER A 5 4.292 5.104 6.261 1.00 0.00 H new ATOM 45 N GLU A 6 1.194 5.385 4.049 1.00 0.00 N ATOM 46 CA GLU A 6 0.008 6.228 4.263 1.00 0.00 C ATOM 47 C GLU A 6 -0.981 6.178 3.100 1.00 0.00 C ATOM 48 O GLU A 6 -2.128 5.774 3.254 1.00 0.00 O ATOM 49 CB GLU A 6 0.510 7.641 4.454 1.00 0.00 C ATOM 50 CG GLU A 6 0.732 7.990 5.932 1.00 0.00 C ATOM 51 CD GLU A 6 1.303 9.399 6.046 1.00 0.00 C ATOM 52 OE1 GLU A 6 2.454 9.579 5.590 1.00 0.00 O ATOM 53 OE2 GLU A 6 0.577 10.271 6.582 1.00 0.00 O ATOM 0 H GLU A 6 2.046 5.928 3.911 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.539 5.862 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.446 7.768 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.207 8.340 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.210 7.923 6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.415 7.272 6.387 1.00 0.00 H new ATOM 55 N ARG A 7 -0.423 6.438 1.920 1.00 0.00 N ATOM 56 CA ARG A 7 -1.171 6.520 0.654 1.00 0.00 C ATOM 57 C ARG A 7 -1.811 5.166 0.283 1.00 0.00 C ATOM 58 O ARG A 7 -3.016 5.105 0.041 1.00 0.00 O ATOM 59 CB ARG A 7 -0.168 7.004 -0.398 1.00 0.00 C ATOM 60 CG ARG A 7 -0.790 7.790 -1.551 1.00 0.00 C ATOM 61 CD ARG A 7 -1.293 9.150 -1.067 1.00 0.00 C ATOM 62 NE ARG A 7 -1.419 10.074 -2.204 1.00 0.00 N ATOM 63 CZ ARG A 7 -2.236 11.122 -2.299 1.00 0.00 C ATOM 64 NH1 ARG A 7 -3.166 11.411 -1.394 1.00 0.00 N ATOM 65 NH2 ARG A 7 -2.138 11.924 -3.354 1.00 0.00 N ATOM 0 H ARG A 7 0.578 6.601 1.808 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.010 7.212 0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.579 7.630 0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.357 6.140 -0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.053 7.929 -2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.616 7.223 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.258 9.035 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.604 9.560 -0.329 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.816 9.893 -3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.282 10.816 -0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.764 12.228 -1.520 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.444 11.733 -4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.757 12.730 -3.441 1.00 0.00 H new ATOM 68 N LEU A 8 -1.041 4.097 0.469 1.00 0.00 N ATOM 69 CA LEU A 8 -1.520 2.717 0.265 1.00 0.00 C ATOM 70 C LEU A 8 -2.611 2.339 1.295 1.00 0.00 C ATOM 71 O LEU A 8 -3.726 1.960 0.920 1.00 0.00 O ATOM 72 CB LEU A 8 -0.318 1.775 0.326 1.00 0.00 C ATOM 73 CG LEU A 8 -0.655 0.315 -0.041 1.00 0.00 C ATOM 74 CD1 LEU A 8 -1.115 0.191 -1.495 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.593 -0.543 0.172 1.00 0.00 C ATOM 0 H LEU A 8 -0.067 4.154 0.765 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.991 2.630 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.454 2.141 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.101 1.800 1.332 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.472 -0.024 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.343 -0.851 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.007 0.798 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.322 0.538 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.370 -1.579 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.399 -0.177 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.901 -0.485 1.216 1.00 0.00 H new ATOM 77 N LYS A 9 -2.323 2.614 2.565 1.00 0.00 N ATOM 78 CA LYS A 9 -3.218 2.317 3.703 1.00 0.00 C ATOM 79 C LYS A 9 -4.613 2.960 3.594 1.00 0.00 C ATOM 80 O LYS A 9 -5.623 2.256 3.678 1.00 0.00 O ATOM 81 CB LYS A 9 -2.510 2.792 4.971 1.00 0.00 C ATOM 82 CG LYS A 9 -3.126 2.232 6.248 1.00 0.00 C ATOM 83 CD LYS A 9 -2.358 2.811 7.440 1.00 0.00 C ATOM 84 CE LYS A 9 -2.801 2.133 8.739 1.00 0.00 C ATOM 85 NZ LYS A 9 -4.182 2.500 9.083 1.00 0.00 N ATOM 0 H LYS A 9 -1.449 3.057 2.847 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.406 1.243 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.460 2.502 4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.538 3.881 5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.181 2.498 6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.071 1.143 6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.287 2.669 7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.531 3.885 7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.725 1.051 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.132 2.421 9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.440 2.068 9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.258 3.535 9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.827 2.158 8.342 1.00 0.00 H new ATOM 90 N LYS A 10 -4.669 4.270 3.365 1.00 0.00 N ATOM 91 CA LYS A 10 -5.951 5.002 3.291 1.00 0.00 C ATOM 92 C LYS A 10 -6.855 4.524 2.149 1.00 0.00 C ATOM 93 O LYS A 10 -8.072 4.437 2.309 1.00 0.00 O ATOM 94 CB LYS A 10 -5.733 6.520 3.248 1.00 0.00 C ATOM 95 CG LYS A 10 -5.081 7.033 1.958 1.00 0.00 C ATOM 96 CD LYS A 10 -5.147 8.555 1.917 1.00 0.00 C ATOM 97 CE LYS A 10 -4.816 9.097 0.527 1.00 0.00 C ATOM 98 NZ LYS A 10 -5.921 8.797 -0.408 1.00 0.00 N ATOM 0 H LYS A 10 -3.845 4.856 3.226 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.486 4.770 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.695 7.016 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.110 6.809 4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.043 6.703 1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.591 6.614 1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.145 8.884 2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.450 8.969 2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.653 10.174 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.890 8.650 0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.577 8.168 -1.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.694 8.330 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.270 9.682 -0.828 1.00 0.00 H new ATOM 103 N ARG A 11 -6.229 4.098 1.051 1.00 0.00 N ATOM 104 CA ARG A 11 -6.957 3.524 -0.098 1.00 0.00 C ATOM 105 C ARG A 11 -7.540 2.135 0.163 1.00 0.00 C ATOM 106 O ARG A 11 -8.694 1.874 -0.192 1.00 0.00 O ATOM 107 CB ARG A 11 -5.987 3.507 -1.284 1.00 0.00 C ATOM 108 CG ARG A 11 -6.678 3.257 -2.627 1.00 0.00 C ATOM 109 CD ARG A 11 -7.677 4.356 -2.995 1.00 0.00 C ATOM 110 NE ARG A 11 -8.018 4.169 -4.410 1.00 0.00 N ATOM 111 CZ ARG A 11 -7.818 5.052 -5.386 1.00 0.00 C ATOM 112 NH1 ARG A 11 -7.611 6.345 -5.141 1.00 0.00 N ATOM 113 NH2 ARG A 11 -8.014 4.678 -6.646 1.00 0.00 N ATOM 0 H ARG A 11 -5.217 4.137 0.926 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.829 4.145 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.459 4.460 -1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.237 2.734 -1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.923 3.182 -3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.196 2.299 -2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.569 4.291 -2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.244 5.342 -2.830 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.448 3.281 -4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.602 6.687 -4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.461 6.993 -5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.314 3.726 -6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.865 5.343 -7.405 1.00 0.00 H new ATOM 116 N ARG A 12 -6.784 1.310 0.880 1.00 0.00 N ATOM 117 CA ARG A 12 -7.229 -0.020 1.353 1.00 0.00 C ATOM 118 C ARG A 12 -8.551 0.094 2.143 1.00 0.00 C ATOM 119 O ARG A 12 -9.556 -0.532 1.802 1.00 0.00 O ATOM 120 CB ARG A 12 -6.104 -0.570 2.221 1.00 0.00 C ATOM 121 CG ARG A 12 -6.187 -2.082 2.431 1.00 0.00 C ATOM 122 CD ARG A 12 -5.135 -2.566 3.424 1.00 0.00 C ATOM 123 NE ARG A 12 -3.775 -2.303 2.910 1.00 0.00 N ATOM 124 CZ ARG A 12 -2.816 -1.618 3.525 1.00 0.00 C ATOM 125 NH1 ARG A 12 -2.971 -1.085 4.734 1.00 0.00 N ATOM 126 NH2 ARG A 12 -1.649 -1.437 2.921 1.00 0.00 N ATOM 0 H ARG A 12 -5.830 1.539 1.159 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.430 -0.691 0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.147 -0.326 1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.127 -0.074 3.191 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.180 -2.346 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.050 -2.591 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.272 -2.063 4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.261 -3.634 3.605 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.549 -2.685 1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.856 -1.194 5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.205 -0.567 5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.491 -1.822 1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.909 -0.912 3.388 1.00 0.00 H new ATOM 129 N ILE A 13 -8.580 1.104 3.021 1.00 0.00 N ATOM 130 CA ILE A 13 -9.763 1.499 3.819 1.00 0.00 C ATOM 131 C ILE A 13 -10.885 2.002 2.894 1.00 0.00 C ATOM 132 O ILE A 13 -12.031 1.557 3.013 1.00 0.00 O ATOM 133 CB ILE A 13 -9.356 2.583 4.833 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.209 2.093 5.733 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.556 2.982 5.716 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.418 3.227 6.398 1.00 0.00 C ATOM 0 H ILE A 13 -7.765 1.688 3.206 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.141 0.634 4.364 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.019 3.451 4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.619 1.445 6.508 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.526 1.486 5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.246 3.749 6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.357 3.371 5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.914 2.108 6.260 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.626 2.804 7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.978 3.863 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.087 3.821 7.021 1.00 0.00 H new ATOM 138 N ALA A 14 -10.565 2.941 1.998 1.00 0.00 N ATOM 139 CA ALA A 14 -11.516 3.510 1.021 1.00 0.00 C ATOM 140 C ALA A 14 -12.205 2.464 0.125 1.00 0.00 C ATOM 141 O ALA A 14 -13.367 2.634 -0.237 1.00 0.00 O ATOM 142 CB ALA A 14 -10.791 4.543 0.148 1.00 0.00 C ATOM 0 H ALA A 14 -9.628 3.336 1.925 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.311 3.975 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.491 4.964 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.397 5.340 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.970 4.060 -0.382 1.00 0.00 H new ATOM 144 N LEU A 15 -11.481 1.391 -0.193 1.00 0.00 N ATOM 145 CA LEU A 15 -12.054 0.231 -0.910 1.00 0.00 C ATOM 146 C LEU A 15 -12.684 -0.852 -0.012 1.00 0.00 C ATOM 147 O LEU A 15 -13.224 -1.823 -0.532 1.00 0.00 O ATOM 148 CB LEU A 15 -11.010 -0.401 -1.834 1.00 0.00 C ATOM 149 CG LEU A 15 -11.236 0.057 -3.282 1.00 0.00 C ATOM 150 CD1 LEU A 15 -10.432 1.320 -3.595 1.00 0.00 C ATOM 151 CD2 LEU A 15 -10.838 -1.063 -4.243 1.00 0.00 C ATOM 0 H LEU A 15 -10.491 1.292 0.032 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.879 0.645 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.008 -0.120 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.072 -1.488 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.294 0.290 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.613 1.620 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.740 2.123 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.370 1.119 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.999 -0.736 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.785 -1.307 -4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.445 -1.946 -4.044 1.00 0.00 H new ATOM 153 N LYS A 16 -12.677 -0.635 1.305 1.00 0.00 N ATOM 154 CA LYS A 16 -13.126 -1.615 2.328 1.00 0.00 C ATOM 155 C LYS A 16 -12.455 -2.987 2.218 1.00 0.00 C ATOM 156 O LYS A 16 -12.934 -4.008 2.729 1.00 0.00 O ATOM 157 CB LYS A 16 -14.643 -1.722 2.337 1.00 0.00 C ATOM 158 CG LYS A 16 -15.192 -0.516 3.083 1.00 0.00 C ATOM 159 CD LYS A 16 -16.709 -0.466 2.984 1.00 0.00 C ATOM 160 CE LYS A 16 -17.178 0.795 3.697 1.00 0.00 C ATOM 161 NZ LYS A 16 -18.448 1.184 3.072 1.00 0.00 N ATOM 0 H LYS A 16 -12.354 0.243 1.711 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.798 -1.223 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.030 -1.749 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.957 -2.646 2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.892 -0.563 4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.766 0.398 2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.024 -0.455 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.152 -1.351 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -17.312 0.610 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.440 1.591 3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -18.810 2.046 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -18.295 1.366 2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -19.140 0.416 3.185 1.00 0.00 H new ATOM 166 N MET A 17 -11.188 -2.882 1.894 1.00 0.00 N ATOM 167 CA MET A 17 -10.312 -4.027 1.606 1.00 0.00 C ATOM 168 C MET A 17 -9.366 -4.209 2.798 1.00 0.00 C ATOM 169 O MET A 17 -8.912 -3.256 3.428 1.00 0.00 O ATOM 170 CB MET A 17 -9.572 -3.712 0.299 1.00 0.00 C ATOM 171 CG MET A 17 -8.700 -4.857 -0.194 1.00 0.00 C ATOM 172 SD MET A 17 -8.054 -4.573 -1.885 1.00 0.00 S ATOM 173 CE MET A 17 -9.332 -5.371 -2.831 1.00 0.00 C ATOM 0 H MET A 17 -10.712 -1.983 1.818 1.00 0.00 H new ATOM 0 HA MET A 17 -10.856 -4.962 1.474 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.301 -3.463 -0.472 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.950 -2.829 0.446 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.864 -4.994 0.492 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.278 -5.781 -0.180 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.100 -5.294 -3.893 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.392 -6.422 -2.548 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.288 -4.887 -2.632 1.00 0.00 H new ATOM 175 N THR A 18 -9.212 -5.477 3.143 1.00 0.00 N ATOM 176 CA THR A 18 -8.241 -5.901 4.161 1.00 0.00 C ATOM 177 C THR A 18 -6.947 -6.265 3.414 1.00 0.00 C ATOM 178 O THR A 18 -6.980 -6.667 2.239 1.00 0.00 O ATOM 179 CB THR A 18 -8.745 -7.116 4.946 1.00 0.00 C ATOM 180 OG1 THR A 18 -8.995 -8.200 4.041 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.989 -6.786 5.771 1.00 0.00 C ATOM 0 H THR A 18 -9.748 -6.243 2.734 1.00 0.00 H new ATOM 0 HA THR A 18 -8.080 -5.099 4.882 1.00 0.00 H new ATOM 0 HB THR A 18 -7.972 -7.413 5.655 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.316 -8.978 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.313 -7.675 6.312 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.754 -5.994 6.482 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.788 -6.453 5.108 1.00 0.00 H new ATOM 184 N GLN A 19 -5.814 -6.085 4.064 1.00 0.00 N ATOM 185 CA GLN A 19 -4.516 -6.400 3.434 1.00 0.00 C ATOM 186 C GLN A 19 -4.409 -7.822 2.879 1.00 0.00 C ATOM 187 O GLN A 19 -3.854 -8.040 1.807 1.00 0.00 O ATOM 188 CB GLN A 19 -3.414 -6.227 4.450 1.00 0.00 C ATOM 189 CG GLN A 19 -2.257 -5.496 3.770 1.00 0.00 C ATOM 190 CD GLN A 19 -1.099 -5.320 4.743 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.298 -6.211 4.971 1.00 0.00 O ATOM 192 NE2 GLN A 19 -1.012 -4.140 5.313 1.00 0.00 N ATOM 0 H GLN A 19 -5.749 -5.727 5.017 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.426 -5.713 2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.772 -5.659 5.308 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.085 -7.196 4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.925 -6.058 2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.592 -4.522 3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.700 -3.418 5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.256 -3.945 5.970 1.00 0.00 H new ATOM 194 N THR A 20 -4.978 -8.767 3.623 1.00 0.00 N ATOM 195 CA THR A 20 -5.078 -10.202 3.257 1.00 0.00 C ATOM 196 C THR A 20 -5.821 -10.432 1.929 1.00 0.00 C ATOM 197 O THR A 20 -5.413 -11.233 1.090 1.00 0.00 O ATOM 198 CB THR A 20 -5.847 -10.848 4.426 1.00 0.00 C ATOM 199 OG1 THR A 20 -5.385 -10.309 5.673 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.737 -12.371 4.406 1.00 0.00 C ATOM 0 H THR A 20 -5.400 -8.562 4.529 1.00 0.00 H new ATOM 0 HA THR A 20 -4.089 -10.633 3.103 1.00 0.00 H new ATOM 0 HB THR A 20 -6.904 -10.608 4.311 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.638 -10.849 6.006 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.293 -12.787 5.246 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.150 -12.753 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.689 -12.661 4.485 1.00 0.00 H new ATOM 203 N GLU A 21 -6.864 -9.633 1.746 1.00 0.00 N ATOM 204 CA GLU A 21 -7.667 -9.575 0.511 1.00 0.00 C ATOM 205 C GLU A 21 -6.825 -9.039 -0.664 1.00 0.00 C ATOM 206 O GLU A 21 -6.711 -9.685 -1.710 1.00 0.00 O ATOM 207 CB GLU A 21 -8.863 -8.653 0.735 1.00 0.00 C ATOM 208 CG GLU A 21 -10.182 -9.311 0.347 1.00 0.00 C ATOM 209 CD GLU A 21 -11.341 -8.405 0.736 1.00 0.00 C ATOM 210 OE1 GLU A 21 -11.643 -8.367 1.950 1.00 0.00 O ATOM 211 OE2 GLU A 21 -11.816 -7.678 -0.167 1.00 0.00 O ATOM 0 H GLU A 21 -7.191 -8.987 2.465 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.006 -10.581 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.901 -8.359 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.730 -7.741 0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.202 -9.503 -0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.279 -10.276 0.845 1.00 0.00 H new ATOM 213 N LEU A 22 -6.113 -7.954 -0.377 1.00 0.00 N ATOM 214 CA LEU A 22 -5.190 -7.281 -1.309 1.00 0.00 C ATOM 215 C LEU A 22 -4.018 -8.193 -1.733 1.00 0.00 C ATOM 216 O LEU A 22 -3.737 -8.330 -2.921 1.00 0.00 O ATOM 217 CB LEU A 22 -4.741 -6.011 -0.585 1.00 0.00 C ATOM 218 CG LEU A 22 -3.599 -5.258 -1.249 1.00 0.00 C ATOM 219 CD1 LEU A 22 -4.012 -4.659 -2.601 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.133 -4.148 -0.308 1.00 0.00 C ATOM 0 H LEU A 22 -6.157 -7.499 0.535 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.675 -7.035 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.596 -5.340 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.440 -6.277 0.428 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.789 -5.961 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.165 -4.130 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.327 -5.458 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.837 -3.963 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.313 -3.599 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.961 -3.467 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.792 -4.586 0.630 1.00 0.00 H new ATOM 222 N ALA A 23 -3.434 -8.848 -0.744 1.00 0.00 N ATOM 223 CA ALA A 23 -2.409 -9.901 -0.912 1.00 0.00 C ATOM 224 C ALA A 23 -2.816 -10.985 -1.926 1.00 0.00 C ATOM 225 O ALA A 23 -2.178 -11.139 -2.959 1.00 0.00 O ATOM 226 CB ALA A 23 -2.114 -10.506 0.466 1.00 0.00 C ATOM 0 H ALA A 23 -3.657 -8.666 0.235 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.510 -9.446 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.359 -11.286 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.745 -9.727 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.027 -10.935 0.878 1.00 0.00 H new ATOM 228 N THR A 24 -4.021 -11.514 -1.709 1.00 0.00 N ATOM 229 CA THR A 24 -4.672 -12.533 -2.549 1.00 0.00 C ATOM 230 C THR A 24 -4.883 -12.063 -4.000 1.00 0.00 C ATOM 231 O THR A 24 -4.478 -12.749 -4.940 1.00 0.00 O ATOM 232 CB THR A 24 -5.996 -12.941 -1.871 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.706 -13.546 -0.606 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.864 -13.895 -2.708 1.00 0.00 C ATOM 0 H THR A 24 -4.596 -11.237 -0.914 1.00 0.00 H new ATOM 0 HA THR A 24 -4.017 -13.401 -2.629 1.00 0.00 H new ATOM 0 HB THR A 24 -6.579 -12.027 -1.753 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.581 -12.847 0.070 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.776 -14.133 -2.160 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.123 -13.417 -3.653 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.310 -14.813 -2.905 1.00 0.00 H new ATOM 237 N LYS A 25 -5.525 -10.905 -4.154 1.00 0.00 N ATOM 238 CA LYS A 25 -5.830 -10.309 -5.479 1.00 0.00 C ATOM 239 C LYS A 25 -4.575 -9.864 -6.251 1.00 0.00 C ATOM 240 O LYS A 25 -4.559 -9.883 -7.481 1.00 0.00 O ATOM 241 CB LYS A 25 -6.798 -9.164 -5.212 1.00 0.00 C ATOM 242 CG LYS A 25 -7.717 -8.851 -6.386 1.00 0.00 C ATOM 243 CD LYS A 25 -8.839 -7.927 -5.911 1.00 0.00 C ATOM 244 CE LYS A 25 -9.796 -7.506 -7.024 1.00 0.00 C ATOM 245 NZ LYS A 25 -9.140 -6.535 -7.909 1.00 0.00 N ATOM 0 H LYS A 25 -5.854 -10.343 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.278 -11.053 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.406 -9.410 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.228 -8.270 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.153 -8.376 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.135 -9.772 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.405 -8.430 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.399 -7.035 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.108 -8.380 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.697 -7.068 -6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.857 -6.053 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.629 -5.833 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.469 -7.030 -8.530 1.00 0.00 H new ATOM 250 N ALA A 26 -3.539 -9.433 -5.523 1.00 0.00 N ATOM 251 CA ALA A 26 -2.227 -9.054 -6.078 1.00 0.00 C ATOM 252 C ALA A 26 -1.341 -10.249 -6.486 1.00 0.00 C ATOM 253 O ALA A 26 -0.514 -10.116 -7.388 1.00 0.00 O ATOM 254 CB ALA A 26 -1.481 -8.187 -5.068 1.00 0.00 C ATOM 0 H ALA A 26 -3.586 -9.334 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.433 -8.504 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.510 -7.906 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.062 -7.288 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.337 -8.747 -4.144 1.00 0.00 H new ATOM 256 N GLY A 27 -1.464 -11.335 -5.731 1.00 0.00 N ATOM 257 CA GLY A 27 -0.646 -12.561 -5.880 1.00 0.00 C ATOM 258 C GLY A 27 0.615 -12.580 -4.990 1.00 0.00 C ATOM 259 O GLY A 27 1.586 -13.280 -5.286 1.00 0.00 O ATOM 0 H GLY A 27 -2.148 -11.402 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.261 -13.428 -5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.345 -12.661 -6.923 1.00 0.00 H new ATOM 261 N VAL A 28 0.526 -11.900 -3.854 1.00 0.00 N ATOM 262 CA VAL A 28 1.617 -11.752 -2.868 1.00 0.00 C ATOM 263 C VAL A 28 1.146 -12.113 -1.450 1.00 0.00 C ATOM 264 O VAL A 28 -0.050 -12.153 -1.166 1.00 0.00 O ATOM 265 CB VAL A 28 2.209 -10.325 -2.860 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.106 -10.094 -4.077 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.174 -9.198 -2.713 1.00 0.00 C ATOM 0 H VAL A 28 -0.328 -11.418 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 28 2.398 -12.447 -3.176 1.00 0.00 H new ATOM 0 HB VAL A 28 2.813 -10.274 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.509 -9.082 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.926 -10.812 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.523 -10.224 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.683 -8.234 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.469 -9.241 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.635 -9.319 -1.773 1.00 0.00 H new ATOM 269 N LYS A 29 2.101 -12.396 -0.569 1.00 0.00 N ATOM 270 CA LYS A 29 1.819 -12.619 0.862 1.00 0.00 C ATOM 271 C LYS A 29 1.560 -11.295 1.595 1.00 0.00 C ATOM 272 O LYS A 29 2.187 -10.275 1.309 1.00 0.00 O ATOM 273 CB LYS A 29 2.944 -13.439 1.497 1.00 0.00 C ATOM 274 CG LYS A 29 4.314 -12.740 1.487 1.00 0.00 C ATOM 275 CD LYS A 29 5.463 -13.688 1.857 1.00 0.00 C ATOM 276 CE LYS A 29 5.758 -14.675 0.727 1.00 0.00 C ATOM 277 NZ LYS A 29 6.876 -15.549 1.111 1.00 0.00 N ATOM 0 H LYS A 29 3.087 -12.479 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 29 0.900 -13.198 0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.674 -13.670 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.029 -14.389 0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.497 -12.322 0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.297 -11.905 2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.359 -13.108 2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.207 -14.236 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.872 -15.274 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.004 -14.134 -0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.074 -16.219 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.721 -14.971 1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.625 -16.076 1.972 1.00 0.00 H new ATOM 282 N GLN A 30 0.732 -11.373 2.627 1.00 0.00 N ATOM 283 CA GLN A 30 0.370 -10.207 3.471 1.00 0.00 C ATOM 284 C GLN A 30 1.602 -9.446 3.991 1.00 0.00 C ATOM 285 O GLN A 30 1.724 -8.241 3.794 1.00 0.00 O ATOM 286 CB GLN A 30 -0.470 -10.695 4.660 1.00 0.00 C ATOM 287 CG GLN A 30 -1.587 -9.720 5.006 1.00 0.00 C ATOM 288 CD GLN A 30 -2.208 -10.098 6.353 1.00 0.00 C ATOM 289 OE1 GLN A 30 -2.990 -11.035 6.466 1.00 0.00 O ATOM 290 NE2 GLN A 30 -1.895 -9.345 7.386 1.00 0.00 N ATOM 0 H GLN A 30 0.283 -12.242 2.916 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.197 -9.513 2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.899 -11.669 4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.175 -10.831 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.195 -8.704 5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.349 -9.735 4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.242 -8.570 7.273 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.305 -9.537 8.300 1.00 0.00 H new ATOM 292 N GLN A 31 2.597 -10.240 4.401 1.00 0.00 N ATOM 293 CA GLN A 31 3.925 -9.819 4.887 1.00 0.00 C ATOM 294 C GLN A 31 4.606 -8.765 4.005 1.00 0.00 C ATOM 295 O GLN A 31 5.002 -7.701 4.484 1.00 0.00 O ATOM 296 CB GLN A 31 4.860 -11.034 4.981 1.00 0.00 C ATOM 297 CG GLN A 31 4.535 -12.023 6.098 1.00 0.00 C ATOM 298 CD GLN A 31 3.196 -12.754 5.976 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.621 -12.968 4.920 1.00 0.00 O ATOM 300 NE2 GLN A 31 2.646 -13.099 7.114 1.00 0.00 N ATOM 0 H GLN A 31 2.496 -11.255 4.404 1.00 0.00 H new ATOM 0 HA GLN A 31 3.748 -9.368 5.864 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.835 -11.565 4.029 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.880 -10.677 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.330 -12.767 6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.549 -11.487 7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.133 -12.917 7.992 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.731 -13.550 7.122 1.00 0.00 H new ATOM 302 N SER A 32 4.554 -9.006 2.696 1.00 0.00 N ATOM 303 CA SER A 32 5.133 -8.128 1.654 1.00 0.00 C ATOM 304 C SER A 32 4.545 -6.712 1.688 1.00 0.00 C ATOM 305 O SER A 32 5.278 -5.724 1.776 1.00 0.00 O ATOM 306 CB SER A 32 4.860 -8.779 0.303 1.00 0.00 C ATOM 307 OG SER A 32 5.603 -9.997 0.202 1.00 0.00 O ATOM 0 H SER A 32 4.100 -9.834 2.311 1.00 0.00 H new ATOM 0 HA SER A 32 6.203 -8.019 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.794 -8.980 0.193 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.141 -8.101 -0.503 1.00 0.00 H new ATOM 0 HG SER A 32 5.427 -10.417 -0.666 1.00 0.00 H new ATOM 310 N ILE A 33 3.225 -6.645 1.794 1.00 0.00 N ATOM 311 CA ILE A 33 2.487 -5.374 1.857 1.00 0.00 C ATOM 312 C ILE A 33 2.631 -4.701 3.240 1.00 0.00 C ATOM 313 O ILE A 33 2.751 -3.477 3.303 1.00 0.00 O ATOM 314 CB ILE A 33 0.996 -5.527 1.537 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.772 -6.497 0.370 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.412 -4.156 1.175 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.635 -7.059 0.433 1.00 0.00 C ATOM 0 H ILE A 33 2.626 -7.469 1.840 1.00 0.00 H new ATOM 0 HA ILE A 33 2.938 -4.744 1.090 1.00 0.00 H new ATOM 0 HB ILE A 33 0.497 -5.931 2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.926 -5.982 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.500 -7.307 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.649 -4.261 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.536 -3.474 2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.933 -3.757 0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.789 -7.747 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.773 -7.590 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.356 -6.244 0.367 1.00 0.00 H new ATOM 319 N GLN A 34 2.647 -5.498 4.311 1.00 0.00 N ATOM 320 CA GLN A 34 2.915 -4.984 5.681 1.00 0.00 C ATOM 321 C GLN A 34 4.180 -4.139 5.739 1.00 0.00 C ATOM 322 O GLN A 34 4.195 -3.112 6.392 1.00 0.00 O ATOM 323 CB GLN A 34 3.140 -6.046 6.751 1.00 0.00 C ATOM 324 CG GLN A 34 1.982 -7.024 6.965 1.00 0.00 C ATOM 325 CD GLN A 34 0.800 -6.481 7.787 1.00 0.00 C ATOM 326 OE1 GLN A 34 -0.284 -7.055 7.797 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.949 -5.423 8.558 1.00 0.00 N ATOM 0 H GLN A 34 2.479 -6.503 4.269 1.00 0.00 H new ATOM 0 HA GLN A 34 2.001 -4.427 5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.031 -6.617 6.489 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.349 -5.545 7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.610 -7.338 5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.368 -7.914 7.461 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.838 -4.924 8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.175 -5.103 9.141 1.00 0.00 H new ATOM 329 N LEU A 35 5.218 -4.577 5.032 1.00 0.00 N ATOM 330 CA LEU A 35 6.516 -3.883 4.934 1.00 0.00 C ATOM 331 C LEU A 35 6.409 -2.456 4.367 1.00 0.00 C ATOM 332 O LEU A 35 7.001 -1.515 4.904 1.00 0.00 O ATOM 333 CB LEU A 35 7.428 -4.783 4.116 1.00 0.00 C ATOM 334 CG LEU A 35 7.946 -5.908 5.002 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.226 -7.149 4.158 1.00 0.00 C ATOM 336 CD2 LEU A 35 9.181 -5.474 5.798 1.00 0.00 C ATOM 0 H LEU A 35 5.188 -5.444 4.496 1.00 0.00 H new ATOM 0 HA LEU A 35 6.930 -3.723 5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.885 -5.195 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.262 -4.207 3.714 1.00 0.00 H new ATOM 0 HG LEU A 35 7.175 -6.156 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.596 -7.949 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.307 -7.472 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.975 -6.914 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.523 -6.302 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.975 -5.185 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.925 -4.626 6.433 1.00 0.00 H new ATOM 338 N ILE A 36 5.519 -2.289 3.388 1.00 0.00 N ATOM 339 CA ILE A 36 5.175 -0.992 2.779 1.00 0.00 C ATOM 340 C ILE A 36 4.327 -0.176 3.759 1.00 0.00 C ATOM 341 O ILE A 36 4.656 0.959 4.075 1.00 0.00 O ATOM 342 CB ILE A 36 4.405 -1.169 1.462 1.00 0.00 C ATOM 343 CG1 ILE A 36 5.065 -2.236 0.561 1.00 0.00 C ATOM 344 CG2 ILE A 36 4.260 0.200 0.764 1.00 0.00 C ATOM 345 CD1 ILE A 36 4.294 -2.551 -0.718 1.00 0.00 C ATOM 0 H ILE A 36 5.001 -3.068 2.982 1.00 0.00 H new ATOM 0 HA ILE A 36 6.105 -0.468 2.558 1.00 0.00 H new ATOM 0 HB ILE A 36 3.404 -1.543 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.066 -1.898 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.182 -3.155 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.714 0.076 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.715 0.884 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.249 0.608 0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.830 -3.310 -1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.302 -2.923 -0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.199 -1.646 -1.318 1.00 0.00 H new ATOM 347 N GLU A 37 3.292 -0.829 4.297 1.00 0.00 N ATOM 348 CA GLU A 37 2.379 -0.264 5.318 1.00 0.00 C ATOM 349 C GLU A 37 3.143 0.218 6.574 1.00 0.00 C ATOM 350 O GLU A 37 2.725 1.176 7.225 1.00 0.00 O ATOM 351 CB GLU A 37 1.335 -1.337 5.631 1.00 0.00 C ATOM 352 CG GLU A 37 0.107 -0.826 6.398 1.00 0.00 C ATOM 353 CD GLU A 37 0.381 -0.637 7.900 1.00 0.00 C ATOM 354 OE1 GLU A 37 0.693 -1.660 8.542 1.00 0.00 O ATOM 355 OE2 GLU A 37 0.235 0.511 8.364 1.00 0.00 O ATOM 0 H GLU A 37 3.053 -1.785 4.035 1.00 0.00 H new ATOM 0 HA GLU A 37 1.884 0.630 4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.002 -1.786 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.808 -2.128 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.215 0.123 5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.716 -1.529 6.269 1.00 0.00 H new ATOM 357 N ALA A 38 4.218 -0.481 6.903 1.00 0.00 N ATOM 358 CA ALA A 38 5.157 -0.155 7.992 1.00 0.00 C ATOM 359 C ALA A 38 6.232 0.888 7.638 1.00 0.00 C ATOM 360 O ALA A 38 6.986 1.311 8.510 1.00 0.00 O ATOM 361 CB ALA A 38 5.818 -1.477 8.435 1.00 0.00 C ATOM 0 H ALA A 38 4.481 -1.330 6.403 1.00 0.00 H new ATOM 0 HA ALA A 38 4.583 0.314 8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.523 -1.279 9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.051 -2.168 8.784 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.348 -1.919 7.591 1.00 0.00 H new ATOM 363 N GLY A 39 6.294 1.288 6.356 1.00 0.00 N ATOM 364 CA GLY A 39 7.267 2.263 5.823 1.00 0.00 C ATOM 365 C GLY A 39 8.730 1.786 5.882 1.00 0.00 C ATOM 366 O GLY A 39 9.621 2.566 6.192 1.00 0.00 O ATOM 0 H GLY A 39 5.655 0.935 5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.011 2.487 4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.177 3.194 6.383 1.00 0.00 H new ATOM 368 N VAL A 40 8.943 0.523 5.514 1.00 0.00 N ATOM 369 CA VAL A 40 10.290 -0.092 5.524 1.00 0.00 C ATOM 370 C VAL A 40 10.818 -0.341 4.105 1.00 0.00 C ATOM 371 O VAL A 40 11.949 -0.001 3.762 1.00 0.00 O ATOM 372 CB VAL A 40 10.262 -1.377 6.381 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.586 -2.145 6.371 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.905 -1.062 7.841 1.00 0.00 C ATOM 0 H VAL A 40 8.202 -0.105 5.202 1.00 0.00 H new ATOM 0 HA VAL A 40 10.994 0.606 5.978 1.00 0.00 H new ATOM 0 HB VAL A 40 9.498 -2.006 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.495 -3.036 6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.828 -2.439 5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.379 -1.508 6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.893 -1.985 8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.647 -0.382 8.258 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.921 -0.595 7.882 1.00 0.00 H new ATOM 376 N THR A 41 9.972 -0.948 3.277 1.00 0.00 N ATOM 377 CA THR A 41 10.317 -1.316 1.887 1.00 0.00 C ATOM 378 C THR A 41 10.119 -0.117 0.958 1.00 0.00 C ATOM 379 O THR A 41 9.112 0.025 0.271 1.00 0.00 O ATOM 380 CB THR A 41 9.475 -2.523 1.452 1.00 0.00 C ATOM 381 OG1 THR A 41 9.571 -3.533 2.443 1.00 0.00 O ATOM 382 CG2 THR A 41 9.977 -3.111 0.129 1.00 0.00 C ATOM 0 H THR A 41 9.021 -1.204 3.543 1.00 0.00 H new ATOM 0 HA THR A 41 11.368 -1.600 1.830 1.00 0.00 H new ATOM 0 HB THR A 41 8.447 -2.186 1.323 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.476 -4.413 2.023 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.358 -3.964 -0.148 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.920 -2.352 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.011 -3.436 0.244 1.00 0.00 H new ATOM 385 N LYS A 42 11.159 0.707 0.941 1.00 0.00 N ATOM 386 CA LYS A 42 11.296 1.898 0.070 1.00 0.00 C ATOM 387 C LYS A 42 11.034 1.678 -1.427 1.00 0.00 C ATOM 388 O LYS A 42 10.513 2.574 -2.087 1.00 0.00 O ATOM 389 CB LYS A 42 12.658 2.574 0.316 1.00 0.00 C ATOM 390 CG LYS A 42 13.811 1.562 0.361 1.00 0.00 C ATOM 391 CD LYS A 42 15.157 2.196 0.719 1.00 0.00 C ATOM 392 CE LYS A 42 15.810 2.834 -0.506 1.00 0.00 C ATOM 393 NZ LYS A 42 17.210 3.119 -0.173 1.00 0.00 N ATOM 0 H LYS A 42 11.966 0.571 1.550 1.00 0.00 H new ATOM 0 HA LYS A 42 10.484 2.562 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.847 3.302 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.623 3.124 1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.577 0.787 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.894 1.072 -0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.012 2.951 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.820 1.437 1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.751 2.163 -1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.289 3.751 -0.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.680 3.555 -0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.249 3.771 0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.696 2.233 0.073 1.00 0.00 H new ATOM 398 N ARG A 43 11.421 0.508 -1.947 1.00 0.00 N ATOM 399 CA ARG A 43 11.167 0.116 -3.350 1.00 0.00 C ATOM 400 C ARG A 43 10.516 -1.274 -3.475 1.00 0.00 C ATOM 401 O ARG A 43 11.233 -2.270 -3.424 1.00 0.00 O ATOM 402 CB ARG A 43 12.472 0.149 -4.163 1.00 0.00 C ATOM 403 CG ARG A 43 12.832 1.545 -4.693 1.00 0.00 C ATOM 404 CD ARG A 43 11.808 2.069 -5.709 1.00 0.00 C ATOM 405 NE ARG A 43 11.701 1.176 -6.885 1.00 0.00 N ATOM 406 CZ ARG A 43 10.579 0.596 -7.340 1.00 0.00 C ATOM 407 NH1 ARG A 43 9.384 0.869 -6.840 1.00 0.00 N ATOM 408 NH2 ARG A 43 10.613 -0.181 -8.412 1.00 0.00 N ATOM 0 H ARG A 43 11.921 -0.200 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 43 10.461 0.844 -3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.288 -0.215 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.383 -0.538 -5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.899 2.241 -3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.817 1.511 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.833 2.159 -5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.097 3.068 -6.035 1.00 0.00 H new ATOM 0 HE ARG A 43 12.561 0.983 -7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.291 1.543 -6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.556 0.406 -7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.496 -0.342 -8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.757 -0.618 -8.752 1.00 0.00 H new ATOM 411 N PRO A 44 9.172 -1.366 -3.513 1.00 0.00 N ATOM 412 CA PRO A 44 8.501 -2.672 -3.667 1.00 0.00 C ATOM 413 C PRO A 44 8.243 -3.068 -5.120 1.00 0.00 C ATOM 414 O PRO A 44 7.284 -2.601 -5.735 1.00 0.00 O ATOM 415 CB PRO A 44 7.213 -2.500 -2.858 1.00 0.00 C ATOM 416 CG PRO A 44 6.858 -1.024 -3.014 1.00 0.00 C ATOM 417 CD PRO A 44 8.228 -0.340 -3.016 1.00 0.00 C ATOM 0 HA PRO A 44 9.121 -3.495 -3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.418 -3.142 -3.237 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.364 -2.764 -1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.311 -0.836 -3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.231 -0.671 -2.195 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.228 0.540 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.502 -0.004 -2.016 1.00 0.00 H new ATOM 418 N ARG A 45 8.949 -4.098 -5.595 1.00 0.00 N ATOM 419 CA ARG A 45 8.781 -4.581 -6.995 1.00 0.00 C ATOM 420 C ARG A 45 7.353 -5.063 -7.341 1.00 0.00 C ATOM 421 O ARG A 45 6.874 -4.857 -8.459 1.00 0.00 O ATOM 422 CB ARG A 45 9.819 -5.642 -7.383 1.00 0.00 C ATOM 423 CG ARG A 45 9.780 -6.911 -6.521 1.00 0.00 C ATOM 424 CD ARG A 45 11.063 -7.086 -5.703 1.00 0.00 C ATOM 425 NE ARG A 45 11.228 -5.994 -4.726 1.00 0.00 N ATOM 426 CZ ARG A 45 10.853 -6.030 -3.442 1.00 0.00 C ATOM 427 NH1 ARG A 45 10.434 -7.128 -2.849 1.00 0.00 N ATOM 428 NH2 ARG A 45 11.017 -4.960 -2.673 1.00 0.00 N ATOM 0 H ARG A 45 9.637 -4.617 -5.050 1.00 0.00 H new ATOM 0 HA ARG A 45 8.957 -3.692 -7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.664 -5.920 -8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.814 -5.202 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.924 -6.866 -5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.637 -7.781 -7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.037 -8.043 -5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.923 -7.111 -6.372 1.00 0.00 H new ATOM 0 HE ARG A 45 11.667 -5.135 -5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.384 -8.003 -3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.159 -7.104 -1.867 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.429 -4.111 -3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.731 -4.987 -1.694 1.00 0.00 H new ATOM 431 N PHE A 46 6.649 -5.543 -6.325 1.00 0.00 N ATOM 432 CA PHE A 46 5.245 -5.988 -6.405 1.00 0.00 C ATOM 433 C PHE A 46 4.179 -4.883 -6.408 1.00 0.00 C ATOM 434 O PHE A 46 2.988 -5.174 -6.562 1.00 0.00 O ATOM 435 CB PHE A 46 4.937 -7.021 -5.316 1.00 0.00 C ATOM 436 CG PHE A 46 5.670 -6.811 -3.987 1.00 0.00 C ATOM 437 CD1 PHE A 46 5.252 -5.767 -3.132 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.706 -7.695 -3.606 1.00 0.00 C ATOM 439 CE1 PHE A 46 5.860 -5.607 -1.873 1.00 0.00 C ATOM 440 CE2 PHE A 46 7.330 -7.522 -2.349 1.00 0.00 C ATOM 441 CZ PHE A 46 6.896 -6.490 -1.491 1.00 0.00 C ATOM 0 H PHE A 46 7.042 -5.641 -5.389 1.00 0.00 H new ATOM 0 HA PHE A 46 5.172 -6.438 -7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.864 -7.014 -5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.187 -8.011 -5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.468 -5.093 -3.444 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.016 -8.491 -4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.539 -4.820 -1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.134 -8.176 -2.048 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.364 -6.372 -0.525 1.00 0.00 H new ATOM 443 N LEU A 47 4.614 -3.622 -6.361 1.00 0.00 N ATOM 444 CA LEU A 47 3.716 -2.434 -6.342 1.00 0.00 C ATOM 445 C LEU A 47 2.653 -2.399 -7.460 1.00 0.00 C ATOM 446 O LEU A 47 1.504 -2.060 -7.170 1.00 0.00 O ATOM 447 CB LEU A 47 4.548 -1.137 -6.277 1.00 0.00 C ATOM 448 CG LEU A 47 5.104 -0.539 -7.577 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.920 0.700 -7.236 1.00 0.00 C ATOM 450 CD2 LEU A 47 5.962 -1.502 -8.409 1.00 0.00 C ATOM 0 H LEU A 47 5.605 -3.380 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 47 3.122 -2.520 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.930 -0.374 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.393 -1.322 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 47 4.242 -0.300 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.321 1.135 -8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.282 1.430 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.742 0.424 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.311 -0.994 -9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.819 -1.827 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.366 -2.370 -8.691 1.00 0.00 H new ATOM 452 N PHE A 48 2.993 -2.917 -8.637 1.00 0.00 N ATOM 453 CA PHE A 48 2.079 -3.013 -9.801 1.00 0.00 C ATOM 454 C PHE A 48 0.842 -3.868 -9.454 1.00 0.00 C ATOM 455 O PHE A 48 -0.273 -3.374 -9.414 1.00 0.00 O ATOM 456 CB PHE A 48 2.850 -3.634 -10.960 1.00 0.00 C ATOM 457 CG PHE A 48 2.182 -3.499 -12.342 1.00 0.00 C ATOM 458 CD1 PHE A 48 1.555 -2.291 -12.742 1.00 0.00 C ATOM 459 CD2 PHE A 48 2.329 -4.566 -13.252 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.079 -2.143 -14.062 1.00 0.00 C ATOM 461 CE2 PHE A 48 1.857 -4.425 -14.584 1.00 0.00 C ATOM 462 CZ PHE A 48 1.241 -3.213 -14.965 1.00 0.00 C ATOM 0 H PHE A 48 3.923 -3.291 -8.825 1.00 0.00 H new ATOM 0 HA PHE A 48 1.724 -2.020 -10.077 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.837 -3.175 -11.006 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.000 -4.693 -10.749 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.442 -1.483 -12.035 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.798 -5.486 -12.937 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.600 -1.227 -14.375 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.967 -5.231 -15.294 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.883 -3.103 -15.978 1.00 0.00 H new ATOM 464 N GLU A 49 1.141 -5.059 -8.938 1.00 0.00 N ATOM 465 CA GLU A 49 0.155 -6.039 -8.423 1.00 0.00 C ATOM 466 C GLU A 49 -0.719 -5.443 -7.315 1.00 0.00 C ATOM 467 O GLU A 49 -1.935 -5.349 -7.497 1.00 0.00 O ATOM 468 CB GLU A 49 0.933 -7.248 -7.882 1.00 0.00 C ATOM 469 CG GLU A 49 1.712 -8.012 -8.965 1.00 0.00 C ATOM 470 CD GLU A 49 2.724 -8.966 -8.338 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.689 -8.438 -7.740 1.00 0.00 O ATOM 472 OE2 GLU A 49 2.622 -10.180 -8.579 1.00 0.00 O ATOM 0 H GLU A 49 2.103 -5.390 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.513 -6.332 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.630 -6.908 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.236 -7.931 -7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.017 -8.572 -9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.227 -7.305 -9.615 1.00 0.00 H new ATOM 474 N ILE A 50 -0.086 -4.855 -6.297 1.00 0.00 N ATOM 475 CA ILE A 50 -0.794 -4.219 -5.160 1.00 0.00 C ATOM 476 C ILE A 50 -1.696 -3.069 -5.638 1.00 0.00 C ATOM 477 O ILE A 50 -2.875 -3.038 -5.289 1.00 0.00 O ATOM 478 CB ILE A 50 0.220 -3.824 -4.071 1.00 0.00 C ATOM 479 CG1 ILE A 50 0.974 -5.083 -3.602 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.480 -3.173 -2.873 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.173 -4.779 -2.708 1.00 0.00 C ATOM 0 H ILE A 50 0.930 -4.801 -6.228 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.476 -4.934 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 50 0.918 -3.101 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.283 -5.730 -3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.314 -5.639 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.261 -2.905 -2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.005 -2.276 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.195 -3.875 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.655 -5.712 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.884 -4.158 -3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.837 -4.250 -1.816 1.00 0.00 H new ATOM 483 N ALA A 51 -1.181 -2.268 -6.570 1.00 0.00 N ATOM 484 CA ALA A 51 -1.933 -1.176 -7.221 1.00 0.00 C ATOM 485 C ALA A 51 -3.175 -1.662 -7.990 1.00 0.00 C ATOM 486 O ALA A 51 -4.275 -1.233 -7.661 1.00 0.00 O ATOM 487 CB ALA A 51 -1.009 -0.410 -8.165 1.00 0.00 C ATOM 0 H ALA A 51 -0.221 -2.353 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.295 -0.525 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.565 0.395 -8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.178 0.010 -7.599 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.623 -1.088 -8.926 1.00 0.00 H new ATOM 489 N MET A 52 -2.995 -2.651 -8.858 1.00 0.00 N ATOM 490 CA MET A 52 -4.071 -3.242 -9.675 1.00 0.00 C ATOM 491 C MET A 52 -5.176 -3.877 -8.821 1.00 0.00 C ATOM 492 O MET A 52 -6.353 -3.529 -8.936 1.00 0.00 O ATOM 493 CB MET A 52 -3.440 -4.305 -10.579 1.00 0.00 C ATOM 494 CG MET A 52 -2.589 -3.703 -11.688 1.00 0.00 C ATOM 495 SD MET A 52 -1.565 -4.920 -12.582 1.00 0.00 S ATOM 496 CE MET A 52 -2.818 -5.903 -13.387 1.00 0.00 C ATOM 0 H MET A 52 -2.084 -3.079 -9.023 1.00 0.00 H new ATOM 0 HA MET A 52 -4.543 -2.450 -10.257 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.824 -4.971 -9.975 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.228 -4.914 -11.021 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.242 -3.200 -12.401 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.938 -2.941 -11.259 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.342 -6.645 -14.028 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.423 -6.409 -12.634 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.455 -5.257 -13.991 1.00 0.00 H new ATOM 498 N ALA A 53 -4.726 -4.636 -7.823 1.00 0.00 N ATOM 499 CA ALA A 53 -5.567 -5.284 -6.803 1.00 0.00 C ATOM 500 C ALA A 53 -6.417 -4.261 -6.029 1.00 0.00 C ATOM 501 O ALA A 53 -7.627 -4.425 -5.898 1.00 0.00 O ATOM 502 CB ALA A 53 -4.646 -6.067 -5.871 1.00 0.00 C ATOM 0 H ALA A 53 -3.732 -4.827 -7.693 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.276 -5.959 -7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.240 -6.560 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.100 -6.817 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.939 -5.384 -5.401 1.00 0.00 H new ATOM 504 N LEU A 54 -5.771 -3.168 -5.623 1.00 0.00 N ATOM 505 CA LEU A 54 -6.454 -2.047 -4.938 1.00 0.00 C ATOM 506 C LEU A 54 -7.169 -1.056 -5.875 1.00 0.00 C ATOM 507 O LEU A 54 -7.798 -0.107 -5.404 1.00 0.00 O ATOM 508 CB LEU A 54 -5.404 -1.320 -4.082 1.00 0.00 C ATOM 509 CG LEU A 54 -5.850 -1.264 -2.618 1.00 0.00 C ATOM 510 CD1 LEU A 54 -4.714 -0.707 -1.747 1.00 0.00 C ATOM 511 CD2 LEU A 54 -7.116 -0.448 -2.389 1.00 0.00 C ATOM 0 H LEU A 54 -4.769 -3.026 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.255 -2.470 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.446 -1.834 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.254 -0.309 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.088 -2.289 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.038 -0.670 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.840 -1.353 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.457 0.297 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.367 -0.456 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.951 0.579 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.937 -0.882 -2.960 1.00 0.00 H new ATOM 513 N ASN A 55 -7.152 -1.320 -7.191 1.00 0.00 N ATOM 514 CA ASN A 55 -7.668 -0.405 -8.242 1.00 0.00 C ATOM 515 C ASN A 55 -7.111 1.026 -8.102 1.00 0.00 C ATOM 516 O ASN A 55 -7.810 2.037 -8.207 1.00 0.00 O ATOM 517 CB ASN A 55 -9.201 -0.420 -8.282 1.00 0.00 C ATOM 518 CG ASN A 55 -9.771 -1.807 -8.620 1.00 0.00 C ATOM 519 OD1 ASN A 55 -10.166 -2.099 -9.745 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.896 -2.651 -7.626 1.00 0.00 N ATOM 0 H ASN A 55 -6.774 -2.189 -7.569 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.307 -0.780 -9.200 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.589 -0.098 -7.316 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.548 0.301 -9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.326 -3.563 -7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.564 -2.396 -6.696 1.00 0.00 H new ATOM 522 N CYS A 56 -5.832 1.063 -7.756 1.00 0.00 N ATOM 523 CA CYS A 56 -5.074 2.303 -7.536 1.00 0.00 C ATOM 524 C CYS A 56 -3.824 2.341 -8.429 1.00 0.00 C ATOM 525 O CYS A 56 -3.661 1.514 -9.329 1.00 0.00 O ATOM 526 CB CYS A 56 -4.788 2.462 -6.030 1.00 0.00 C ATOM 527 SG CYS A 56 -3.344 1.553 -5.361 1.00 0.00 S ATOM 0 H CYS A 56 -5.275 0.220 -7.616 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.661 3.172 -7.835 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.648 3.523 -5.821 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.674 2.143 -5.481 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.235 1.789 -4.087 1.00 0.00 H new ATOM 529 N ASP A 57 -2.883 3.226 -8.089 1.00 0.00 N ATOM 530 CA ASP A 57 -1.735 3.563 -8.950 1.00 0.00 C ATOM 531 C ASP A 57 -0.376 3.246 -8.297 1.00 0.00 C ATOM 532 O ASP A 57 -0.166 3.662 -7.150 1.00 0.00 O ATOM 533 CB ASP A 57 -1.940 5.034 -9.336 1.00 0.00 C ATOM 534 CG ASP A 57 -0.885 5.604 -10.278 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.249 5.821 -9.768 1.00 0.00 O ATOM 536 OD2 ASP A 57 -1.194 5.756 -11.480 1.00 0.00 O ATOM 0 H ASP A 57 -2.892 3.734 -7.205 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.699 2.942 -9.845 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.919 5.139 -9.804 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.956 5.634 -8.426 1.00 0.00 H new ATOM 538 N PRO A 58 0.583 2.672 -9.051 1.00 0.00 N ATOM 539 CA PRO A 58 1.895 2.228 -8.534 1.00 0.00 C ATOM 540 C PRO A 58 2.727 3.367 -7.918 1.00 0.00 C ATOM 541 O PRO A 58 3.163 3.286 -6.767 1.00 0.00 O ATOM 542 CB PRO A 58 2.629 1.629 -9.735 1.00 0.00 C ATOM 543 CG PRO A 58 1.514 1.239 -10.697 1.00 0.00 C ATOM 544 CD PRO A 58 0.460 2.335 -10.488 1.00 0.00 C ATOM 0 HA PRO A 58 1.748 1.513 -7.724 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.310 2.351 -10.186 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.226 0.764 -9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.865 1.212 -11.728 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.115 0.250 -10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.653 3.202 -11.120 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.541 1.979 -10.731 1.00 0.00 H new ATOM 545 N VAL A 59 2.869 4.443 -8.677 1.00 0.00 N ATOM 546 CA VAL A 59 3.631 5.643 -8.297 1.00 0.00 C ATOM 547 C VAL A 59 2.960 6.400 -7.126 1.00 0.00 C ATOM 548 O VAL A 59 3.633 6.898 -6.229 1.00 0.00 O ATOM 549 CB VAL A 59 3.785 6.570 -9.517 1.00 0.00 C ATOM 550 CG1 VAL A 59 4.791 7.701 -9.249 1.00 0.00 C ATOM 551 CG2 VAL A 59 4.325 5.836 -10.760 1.00 0.00 C ATOM 0 H VAL A 59 2.448 4.516 -9.603 1.00 0.00 H new ATOM 0 HA VAL A 59 4.616 5.324 -7.957 1.00 0.00 H new ATOM 0 HB VAL A 59 2.779 6.951 -9.695 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.872 8.333 -10.133 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.449 8.300 -8.405 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.767 7.273 -9.019 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.413 6.539 -11.588 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.305 5.415 -10.536 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.640 5.034 -11.036 1.00 0.00 H new ATOM 553 N TRP A 60 1.629 6.426 -7.135 1.00 0.00 N ATOM 554 CA TRP A 60 0.805 7.047 -6.077 1.00 0.00 C ATOM 555 C TRP A 60 0.957 6.411 -4.701 1.00 0.00 C ATOM 556 O TRP A 60 1.455 7.083 -3.799 1.00 0.00 O ATOM 557 CB TRP A 60 -0.620 6.980 -6.630 1.00 0.00 C ATOM 558 CG TRP A 60 -1.662 7.650 -5.744 1.00 0.00 C ATOM 559 CD1 TRP A 60 -1.857 8.962 -5.602 1.00 0.00 C ATOM 560 CD2 TRP A 60 -2.596 6.996 -4.962 1.00 0.00 C ATOM 561 NE1 TRP A 60 -2.872 9.181 -4.778 1.00 0.00 N ATOM 562 CE2 TRP A 60 -3.378 8.014 -4.368 1.00 0.00 C ATOM 563 CE3 TRP A 60 -2.729 5.648 -4.550 1.00 0.00 C ATOM 564 CZ2 TRP A 60 -4.315 7.696 -3.366 1.00 0.00 C ATOM 565 CZ3 TRP A 60 -3.651 5.348 -3.529 1.00 0.00 C ATOM 566 CH2 TRP A 60 -4.436 6.368 -2.945 1.00 0.00 C ATOM 0 H TRP A 60 1.075 6.012 -7.885 1.00 0.00 H new ATOM 0 HA TRP A 60 1.123 8.070 -5.875 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.639 7.449 -7.614 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.895 5.935 -6.770 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.274 9.732 -6.086 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.215 10.100 -4.499 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.138 4.869 -5.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.932 8.467 -2.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.759 4.329 -3.189 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.138 6.119 -2.163 1.00 0.00 H new ATOM 569 N LEU A 61 0.805 5.089 -4.633 1.00 0.00 N ATOM 570 CA LEU A 61 0.957 4.353 -3.359 1.00 0.00 C ATOM 571 C LEU A 61 2.344 4.548 -2.724 1.00 0.00 C ATOM 572 O LEU A 61 2.441 4.696 -1.516 1.00 0.00 O ATOM 573 CB LEU A 61 0.537 2.881 -3.483 1.00 0.00 C ATOM 574 CG LEU A 61 1.372 2.007 -4.424 1.00 0.00 C ATOM 575 CD1 LEU A 61 2.626 1.453 -3.750 1.00 0.00 C ATOM 576 CD2 LEU A 61 0.526 0.817 -4.888 1.00 0.00 C ATOM 0 H LEU A 61 0.578 4.500 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 61 0.256 4.799 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.564 2.434 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.500 2.849 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 61 1.678 2.638 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.181 0.841 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.254 2.279 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.339 0.844 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.115 0.191 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.217 0.231 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.357 1.181 -5.414 1.00 0.00 H new ATOM 578 N GLN A 62 3.337 4.721 -3.598 1.00 0.00 N ATOM 579 CA GLN A 62 4.744 4.935 -3.263 1.00 0.00 C ATOM 580 C GLN A 62 5.131 6.405 -2.937 1.00 0.00 C ATOM 581 O GLN A 62 5.526 6.711 -1.822 1.00 0.00 O ATOM 582 CB GLN A 62 5.567 4.407 -4.435 1.00 0.00 C ATOM 583 CG GLN A 62 6.457 3.241 -4.028 1.00 0.00 C ATOM 584 CD GLN A 62 7.754 3.318 -4.836 1.00 0.00 C ATOM 585 OE1 GLN A 62 7.782 3.189 -6.049 1.00 0.00 O ATOM 586 NE2 GLN A 62 8.839 3.581 -4.156 1.00 0.00 N ATOM 0 H GLN A 62 3.174 4.715 -4.605 1.00 0.00 H new ATOM 0 HA GLN A 62 4.949 4.401 -2.335 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.897 4.090 -5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.184 5.211 -4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.672 3.283 -2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.950 2.294 -4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.793 3.685 -3.142 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.732 3.682 -4.639 1.00 0.00 H new ATOM 588 N TYR A 63 5.004 7.256 -3.947 1.00 0.00 N ATOM 589 CA TYR A 63 5.494 8.648 -3.950 1.00 0.00 C ATOM 590 C TYR A 63 4.401 9.724 -3.775 1.00 0.00 C ATOM 591 O TYR A 63 4.712 10.910 -3.656 1.00 0.00 O ATOM 592 CB TYR A 63 6.216 8.918 -5.279 1.00 0.00 C ATOM 593 CG TYR A 63 7.358 7.937 -5.579 1.00 0.00 C ATOM 594 CD1 TYR A 63 8.530 7.930 -4.792 1.00 0.00 C ATOM 595 CD2 TYR A 63 7.213 7.073 -6.682 1.00 0.00 C ATOM 596 CE1 TYR A 63 9.561 7.022 -5.101 1.00 0.00 C ATOM 597 CE2 TYR A 63 8.242 6.166 -7.001 1.00 0.00 C ATOM 598 CZ TYR A 63 9.395 6.139 -6.191 1.00 0.00 C ATOM 599 OH TYR A 63 10.320 5.169 -6.421 1.00 0.00 O ATOM 0 H TYR A 63 4.544 6.998 -4.820 1.00 0.00 H new ATOM 0 HA TYR A 63 6.152 8.729 -3.085 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.490 8.874 -6.091 1.00 0.00 H new ATOM 0 HB3 TYR A 63 6.616 9.932 -5.264 1.00 0.00 H new ATOM 0 HD1 TYR A 63 8.635 8.613 -3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.315 7.106 -7.281 1.00 0.00 H new ATOM 0 HE1 TYR A 63 10.466 7.001 -4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 63 8.149 5.504 -7.849 1.00 0.00 H new ATOM 0 HH TYR A 63 10.057 4.647 -7.207 1.00 0.00 H new ATOM 602 N GLY A 64 3.136 9.329 -3.943 1.00 0.00 N ATOM 603 CA GLY A 64 1.972 10.230 -3.790 1.00 0.00 C ATOM 604 C GLY A 64 1.367 10.788 -5.093 1.00 0.00 C ATOM 605 O GLY A 64 0.245 11.304 -5.059 1.00 0.00 O ATOM 0 H GLY A 64 2.881 8.373 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.191 9.692 -3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.270 11.071 -3.163 1.00 0.00 H new ATOM 607 N THR A 65 2.029 10.587 -6.218 1.00 0.00 N ATOM 608 CA THR A 65 1.603 11.163 -7.517 1.00 0.00 C ATOM 609 C THR A 65 0.991 10.069 -8.404 1.00 0.00 C ATOM 610 O THR A 65 1.600 9.028 -8.633 1.00 0.00 O ATOM 611 CB THR A 65 2.754 11.916 -8.205 1.00 0.00 C ATOM 612 OG1 THR A 65 2.277 12.528 -9.397 1.00 0.00 O ATOM 613 CG2 THR A 65 4.000 11.069 -8.474 1.00 0.00 C ATOM 0 H THR A 65 2.877 10.024 -6.276 1.00 0.00 H new ATOM 0 HA THR A 65 0.827 11.907 -7.335 1.00 0.00 H new ATOM 0 HB THR A 65 3.089 12.678 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.011 13.009 -9.834 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.758 11.682 -8.961 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.392 10.688 -7.531 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.738 10.233 -9.122 1.00 0.00 H new ATOM 616 N LYS A 66 -0.195 10.368 -8.934 1.00 0.00 N ATOM 617 CA LYS A 66 -1.059 9.334 -9.553 1.00 0.00 C ATOM 618 C LYS A 66 -0.715 9.035 -11.018 1.00 0.00 C ATOM 619 O LYS A 66 -1.569 8.700 -11.828 1.00 0.00 O ATOM 620 CB LYS A 66 -2.515 9.726 -9.323 1.00 0.00 C ATOM 621 CG LYS A 66 -3.360 8.467 -9.093 1.00 0.00 C ATOM 622 CD LYS A 66 -4.806 8.767 -8.679 1.00 0.00 C ATOM 623 CE LYS A 66 -5.596 7.472 -8.445 1.00 0.00 C ATOM 624 NZ LYS A 66 -5.119 6.746 -7.254 1.00 0.00 N ATOM 0 H LYS A 66 -0.588 11.309 -8.953 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.873 8.377 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.591 10.389 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.893 10.277 -10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.368 7.873 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.888 7.859 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.810 9.368 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.294 9.359 -9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.654 7.708 -8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.508 6.830 -9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.843 6.063 -6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.240 6.240 -7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.937 7.422 -6.485 1.00 0.00 H new ATOM 629 N ARG A 67 0.579 8.861 -11.272 1.00 0.00 N ATOM 630 CA ARG A 67 1.116 8.678 -12.625 1.00 0.00 C ATOM 631 C ARG A 67 0.993 7.242 -13.151 1.00 0.00 C ATOM 632 O ARG A 67 1.460 6.278 -12.536 1.00 0.00 O ATOM 633 CB ARG A 67 2.584 9.131 -12.682 1.00 0.00 C ATOM 634 CG ARG A 67 2.823 10.584 -12.232 1.00 0.00 C ATOM 635 CD ARG A 67 1.990 11.629 -12.983 1.00 0.00 C ATOM 636 NE ARG A 67 1.042 12.255 -12.051 1.00 0.00 N ATOM 637 CZ ARG A 67 -0.291 12.281 -12.162 1.00 0.00 C ATOM 638 NH1 ARG A 67 -0.933 11.737 -13.184 1.00 0.00 N ATOM 639 NH2 ARG A 67 -1.018 12.943 -11.276 1.00 0.00 N ATOM 0 H ARG A 67 1.292 8.842 -10.543 1.00 0.00 H new ATOM 0 HA ARG A 67 0.504 9.300 -13.278 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.180 8.467 -12.055 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.947 9.016 -13.703 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.605 10.661 -11.167 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.879 10.821 -12.359 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.642 12.386 -13.419 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.452 11.159 -13.806 1.00 0.00 H new ATOM 0 HE ARG A 67 1.442 12.718 -11.235 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.410 11.275 -13.927 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.951 11.780 -13.228 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.562 13.434 -10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.034 12.962 -11.362 1.00 0.00 H new ATOM 642 N GLY A 68 0.125 7.150 -14.149 1.00 0.00 N ATOM 643 CA GLY A 68 -0.021 5.947 -14.987 1.00 0.00 C ATOM 644 C GLY A 68 -1.454 5.427 -14.965 1.00 0.00 C ATOM 645 O GLY A 68 -2.355 6.040 -15.537 1.00 0.00 O ATOM 0 H GLY A 68 -0.506 7.908 -14.409 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.269 6.178 -16.012 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.656 5.170 -14.632 1.00 0.00 H new ATOM 647 N LYS A 69 -1.647 4.436 -14.093 1.00 0.00 N ATOM 648 CA LYS A 69 -2.924 3.702 -13.982 1.00 0.00 C ATOM 649 C LYS A 69 -3.473 3.653 -12.558 1.00 0.00 C ATOM 650 O LYS A 69 -2.901 2.988 -11.711 1.00 0.00 O ATOM 651 CB LYS A 69 -2.832 2.263 -14.464 1.00 0.00 C ATOM 652 CG LYS A 69 -2.868 2.206 -15.985 1.00 0.00 C ATOM 653 CD LYS A 69 -1.458 1.959 -16.458 1.00 0.00 C ATOM 654 CE LYS A 69 -1.542 1.370 -17.846 1.00 0.00 C ATOM 655 NZ LYS A 69 -0.162 0.975 -18.090 1.00 0.00 N ATOM 0 H LYS A 69 -0.930 4.115 -13.443 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.595 4.274 -14.623 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.910 1.809 -14.099 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.658 1.682 -14.053 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.532 1.411 -16.324 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.253 3.139 -16.396 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.889 2.889 -16.470 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.941 1.277 -15.783 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.223 0.520 -17.888 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.894 2.097 -18.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.085 0.546 -19.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.453 1.812 -18.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.134 0.284 -17.371 1.00 0.00 H new ATOM 660 N ALA A 70 -4.530 4.409 -12.278 1.00 0.00 N ATOM 661 CA ALA A 70 -5.124 5.397 -13.201 1.00 0.00 C ATOM 662 C ALA A 70 -4.615 6.808 -12.887 1.00 0.00 C ATOM 663 O ALA A 70 -4.506 7.193 -11.721 1.00 0.00 O ATOM 664 CB ALA A 70 -6.642 5.356 -13.103 1.00 0.00 C ATOM 0 H ALA A 70 -5.017 4.358 -11.383 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.825 5.142 -14.218 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.071 6.088 -13.787 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.997 4.360 -13.368 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.947 5.590 -12.083 1.00 0.00 H new ATOM 666 N ALA A 71 -4.258 7.525 -13.947 1.00 0.00 N ATOM 667 CA ALA A 71 -3.782 8.914 -13.885 1.00 0.00 C ATOM 668 C ALA A 71 -4.565 9.837 -12.930 1.00 0.00 C ATOM 669 O ALA A 71 -3.908 10.698 -12.292 1.00 0.00 O ATOM 670 CB ALA A 71 -3.744 9.498 -15.298 1.00 0.00 C ATOM 0 H ALA A 71 -4.290 7.154 -14.897 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.781 8.870 -13.455 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.391 10.529 -15.256 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.069 8.908 -15.917 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.745 9.474 -15.729 1.00 0.00 H new TER 672 ALA A 71