USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 862 hydrogens (19 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 36 HIS : no HD1:sc= -3.29 X(o=-3.3,f=-3) USER MOD Set 1.2: A 50 SER OG : rot 39:sc= 0.0165 USER MOD Set 1.3: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 9 THR OG1 : rot 150:sc= 0.359 USER MOD Set 2.2: A 15 LYS NZ :NH3+ -170:sc= 1.19 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0647 (180deg=0) USER MOD Single : A 4 SER OG : rot 10:sc= 0.571 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 10 THR OG1 : rot -62:sc= 0.16 USER MOD Single : A 12 SER OG : rot 180:sc= -0.139 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.491 USER MOD Single : A 20 THR OG1 : rot -28:sc= 0.384 USER MOD Single : A 23 SER OG : rot -56:sc= 0.354 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.588 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 171:sc= -0.738 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= -0.0484 (180deg=-0.0509) USER MOD Single : A 49 SER OG : rot 180:sc= -0.115 USER MOD Single : A 54 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.39) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc=-0.00648 (180deg=-0.104) USER MOD Single : A 75 GLN : amide:sc= -0.353 K(o=-0.35,f=-3.5!) USER MOD Single : A 77 MET CE :methyl 144:sc= -2.52 (180deg=-6.29!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 130:sc=-0.00329 USER MOD Single : A 105 ASN : amide:sc=-0.00582 K(o=-0.0058,f=-0.91) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.397 10.197 -16.448 1.00 0.00 N ATOM 2 CA GLY A 1 15.151 9.337 -15.305 1.00 0.00 C ATOM 3 C GLY A 1 13.693 9.324 -14.891 1.00 0.00 C ATOM 4 O GLY A 1 12.834 9.913 -15.548 1.00 0.00 O ATOM 0 H1 GLY A 1 15.852 9.647 -17.205 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.495 10.582 -16.794 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.021 10.979 -16.166 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.466 8.321 -15.544 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.761 9.671 -14.465 1.00 0.00 H new ATOM 8 N PRO A 2 13.396 8.637 -13.778 1.00 0.00 N ATOM 9 CA PRO A 2 12.031 8.532 -13.254 1.00 0.00 C ATOM 10 C PRO A 2 11.523 9.854 -12.691 1.00 0.00 C ATOM 11 O PRO A 2 12.160 10.460 -11.830 1.00 0.00 O ATOM 12 CB PRO A 2 12.158 7.490 -12.139 1.00 0.00 C ATOM 13 CG PRO A 2 13.583 7.566 -11.711 1.00 0.00 C ATOM 14 CD PRO A 2 14.369 7.910 -12.946 1.00 0.00 C ATOM 0 HA PRO A 2 11.316 8.260 -14.031 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.484 7.711 -11.312 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.905 6.493 -12.498 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.719 8.323 -10.939 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.915 6.617 -11.289 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.237 8.526 -12.711 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.739 7.016 -13.449 1.00 0.00 H new ATOM 22 N GLY A 3 10.370 10.298 -13.183 1.00 0.00 N ATOM 23 CA GLY A 3 9.796 11.546 -12.716 1.00 0.00 C ATOM 24 C GLY A 3 8.743 11.336 -11.646 1.00 0.00 C ATOM 25 O GLY A 3 7.585 11.717 -11.822 1.00 0.00 O ATOM 0 H GLY A 3 9.824 9.815 -13.896 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.589 12.182 -12.321 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.352 12.076 -13.559 1.00 0.00 H new ATOM 29 N SER A 4 9.144 10.728 -10.535 1.00 0.00 N ATOM 30 CA SER A 4 8.225 10.463 -9.434 1.00 0.00 C ATOM 31 C SER A 4 8.979 10.346 -8.113 1.00 0.00 C ATOM 32 O SER A 4 10.152 9.975 -8.086 1.00 0.00 O ATOM 33 CB SER A 4 7.435 9.180 -9.699 1.00 0.00 C ATOM 34 OG SER A 4 6.482 9.371 -10.730 1.00 0.00 O ATOM 0 H SER A 4 10.099 10.409 -10.373 1.00 0.00 H new ATOM 0 HA SER A 4 7.531 11.300 -9.363 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.120 8.379 -9.976 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.929 8.866 -8.786 1.00 0.00 H new ATOM 0 HG SER A 4 6.632 10.240 -11.157 1.00 0.00 H new ATOM 40 N MET A 5 8.296 10.665 -7.019 1.00 0.00 N ATOM 41 CA MET A 5 8.900 10.595 -5.693 1.00 0.00 C ATOM 42 C MET A 5 10.147 11.470 -5.617 1.00 0.00 C ATOM 43 O MET A 5 11.141 11.101 -4.991 1.00 0.00 O ATOM 44 CB MET A 5 9.256 9.148 -5.348 1.00 0.00 C ATOM 45 CG MET A 5 8.086 8.186 -5.477 1.00 0.00 C ATOM 46 SD MET A 5 6.779 8.518 -4.280 1.00 0.00 S ATOM 47 CE MET A 5 6.621 6.914 -3.498 1.00 0.00 C ATOM 0 H MET A 5 7.324 10.975 -7.024 1.00 0.00 H new ATOM 0 HA MET A 5 8.174 10.965 -4.970 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.063 8.815 -6.001 1.00 0.00 H new ATOM 0 HB3 MET A 5 9.636 9.110 -4.327 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.676 8.252 -6.485 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.444 7.165 -5.345 1.00 0.00 H new ATOM 0 HE1 MET A 5 5.848 6.958 -2.731 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.348 6.170 -4.246 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.571 6.637 -3.041 1.00 0.00 H new ATOM 57 N THR A 6 10.089 12.633 -6.259 1.00 0.00 N ATOM 58 CA THR A 6 11.213 13.560 -6.265 1.00 0.00 C ATOM 59 C THR A 6 10.746 14.990 -6.513 1.00 0.00 C ATOM 60 O THR A 6 10.033 15.262 -7.478 1.00 0.00 O ATOM 61 CB THR A 6 12.251 13.178 -7.338 1.00 0.00 C ATOM 62 OG1 THR A 6 12.630 11.805 -7.186 1.00 0.00 O ATOM 63 CG2 THR A 6 13.483 14.064 -7.239 1.00 0.00 C ATOM 0 H THR A 6 9.274 12.955 -6.782 1.00 0.00 H new ATOM 0 HA THR A 6 11.678 13.498 -5.281 1.00 0.00 H new ATOM 0 HB THR A 6 11.798 13.323 -8.319 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.289 11.570 -7.872 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.201 13.775 -8.006 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.195 15.105 -7.385 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.937 13.947 -6.255 1.00 0.00 H new ATOM 71 N VAL A 7 11.154 15.901 -5.634 1.00 0.00 N ATOM 72 CA VAL A 7 10.778 17.304 -5.759 1.00 0.00 C ATOM 73 C VAL A 7 11.924 18.131 -6.330 1.00 0.00 C ATOM 74 O VAL A 7 13.095 17.839 -6.089 1.00 0.00 O ATOM 75 CB VAL A 7 10.360 17.896 -4.400 1.00 0.00 C ATOM 76 CG1 VAL A 7 11.540 17.914 -3.440 1.00 0.00 C ATOM 77 CG2 VAL A 7 9.789 19.294 -4.581 1.00 0.00 C ATOM 0 H VAL A 7 11.744 15.692 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 7 9.929 17.345 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 7 9.583 17.263 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.226 18.336 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.900 16.897 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.341 18.523 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.499 19.697 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.543 19.940 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.915 19.249 -5.231 1.00 0.00 H new ATOM 87 N VAL A 8 11.578 19.166 -7.090 1.00 0.00 N ATOM 88 CA VAL A 8 12.578 20.038 -7.695 1.00 0.00 C ATOM 89 C VAL A 8 12.126 21.493 -7.670 1.00 0.00 C ATOM 90 O VAL A 8 10.940 21.790 -7.820 1.00 0.00 O ATOM 91 CB VAL A 8 12.872 19.628 -9.151 1.00 0.00 C ATOM 92 CG1 VAL A 8 11.590 19.610 -9.970 1.00 0.00 C ATOM 93 CG2 VAL A 8 13.897 20.566 -9.771 1.00 0.00 C ATOM 0 H VAL A 8 10.613 19.421 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 8 13.488 19.934 -7.104 1.00 0.00 H new ATOM 0 HB VAL A 8 13.288 18.621 -9.150 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.817 19.318 -10.995 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.891 18.895 -9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.142 20.604 -9.966 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.093 20.262 -10.799 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.510 21.585 -9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.823 20.524 -9.197 1.00 0.00 H new ATOM 103 N THR A 9 13.079 22.400 -7.478 1.00 0.00 N ATOM 104 CA THR A 9 12.780 23.826 -7.432 1.00 0.00 C ATOM 105 C THR A 9 13.373 24.551 -8.635 1.00 0.00 C ATOM 106 O THR A 9 14.412 24.155 -9.162 1.00 0.00 O ATOM 107 CB THR A 9 13.317 24.471 -6.141 1.00 0.00 C ATOM 108 OG1 THR A 9 12.858 23.739 -5.000 1.00 0.00 O ATOM 109 CG2 THR A 9 12.869 25.921 -6.034 1.00 0.00 C ATOM 0 H THR A 9 14.065 22.172 -7.352 1.00 0.00 H new ATOM 0 HA THR A 9 11.694 23.923 -7.452 1.00 0.00 H new ATOM 0 HB THR A 9 14.406 24.445 -6.174 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.519 23.807 -4.280 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.260 26.356 -5.114 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.245 26.482 -6.889 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.780 25.965 -6.022 1.00 0.00 H new ATOM 117 N THR A 10 12.706 25.618 -9.064 1.00 0.00 N ATOM 118 CA THR A 10 13.167 26.399 -10.205 1.00 0.00 C ATOM 119 C THR A 10 14.275 27.364 -9.799 1.00 0.00 C ATOM 120 O THR A 10 14.689 27.395 -8.641 1.00 0.00 O ATOM 121 CB THR A 10 12.014 27.198 -10.842 1.00 0.00 C ATOM 122 OG1 THR A 10 11.473 28.121 -9.889 1.00 0.00 O ATOM 123 CG2 THR A 10 10.916 26.267 -11.333 1.00 0.00 C ATOM 0 H THR A 10 11.845 25.961 -8.638 1.00 0.00 H new ATOM 0 HA THR A 10 13.556 25.690 -10.936 1.00 0.00 H new ATOM 0 HB THR A 10 12.411 27.748 -11.696 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.099 27.626 -9.131 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.113 26.854 -11.779 1.00 0.00 H new ATOM 0 HG22 THR A 10 11.324 25.585 -12.079 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.523 25.693 -10.494 1.00 0.00 H new ATOM 131 N GLU A 11 14.751 28.150 -10.760 1.00 0.00 N ATOM 132 CA GLU A 11 15.812 29.116 -10.501 1.00 0.00 C ATOM 133 C GLU A 11 15.247 30.391 -9.881 1.00 0.00 C ATOM 134 O GLU A 11 15.944 31.104 -9.159 1.00 0.00 O ATOM 135 CB GLU A 11 16.554 29.451 -11.796 1.00 0.00 C ATOM 136 CG GLU A 11 17.597 28.416 -12.185 1.00 0.00 C ATOM 137 CD GLU A 11 18.724 28.315 -11.176 1.00 0.00 C ATOM 138 OE1 GLU A 11 19.361 29.351 -10.894 1.00 0.00 O ATOM 139 OE2 GLU A 11 18.969 27.200 -10.669 1.00 0.00 O ATOM 0 H GLU A 11 14.419 28.137 -11.724 1.00 0.00 H new ATOM 0 HA GLU A 11 16.512 28.668 -9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.830 29.547 -12.605 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.040 30.421 -11.686 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.117 27.443 -12.286 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.010 28.671 -13.161 1.00 0.00 H new ATOM 146 N SER A 12 13.980 30.671 -10.169 1.00 0.00 N ATOM 147 CA SER A 12 13.323 31.862 -9.644 1.00 0.00 C ATOM 148 C SER A 12 12.812 31.620 -8.226 1.00 0.00 C ATOM 149 O SER A 12 12.720 32.546 -7.422 1.00 0.00 O ATOM 150 CB SER A 12 12.163 32.272 -10.553 1.00 0.00 C ATOM 151 OG SER A 12 11.759 33.606 -10.294 1.00 0.00 O ATOM 0 H SER A 12 13.388 30.090 -10.763 1.00 0.00 H new ATOM 0 HA SER A 12 14.056 32.669 -9.615 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.463 32.176 -11.596 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.321 31.597 -10.400 1.00 0.00 H new ATOM 0 HG SER A 12 11.018 33.845 -10.889 1.00 0.00 H new ATOM 157 N GLY A 13 12.481 30.367 -7.929 1.00 0.00 N ATOM 158 CA GLY A 13 11.983 30.024 -6.609 1.00 0.00 C ATOM 159 C GLY A 13 10.738 29.162 -6.665 1.00 0.00 C ATOM 160 O GLY A 13 10.406 28.475 -5.699 1.00 0.00 O ATOM 0 H GLY A 13 12.549 29.583 -8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.761 29.498 -6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.764 30.938 -6.058 1.00 0.00 H new ATOM 164 N LEU A 14 10.045 29.199 -7.798 1.00 0.00 N ATOM 165 CA LEU A 14 8.827 28.416 -7.976 1.00 0.00 C ATOM 166 C LEU A 14 9.097 26.931 -7.752 1.00 0.00 C ATOM 167 O LEU A 14 10.151 26.417 -8.126 1.00 0.00 O ATOM 168 CB LEU A 14 8.256 28.636 -9.378 1.00 0.00 C ATOM 169 CG LEU A 14 7.246 27.596 -9.862 1.00 0.00 C ATOM 170 CD1 LEU A 14 6.000 27.615 -8.991 1.00 0.00 C ATOM 171 CD2 LEU A 14 6.884 27.842 -11.320 1.00 0.00 C ATOM 0 H LEU A 14 10.306 29.763 -8.607 1.00 0.00 H new ATOM 0 HA LEU A 14 8.099 28.750 -7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.779 29.616 -9.405 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.085 28.665 -10.086 1.00 0.00 H new ATOM 0 HG LEU A 14 7.704 26.610 -9.783 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.293 26.868 -9.351 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.273 27.389 -7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.540 28.602 -9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.164 27.092 -11.648 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.446 28.835 -11.424 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.782 27.775 -11.934 1.00 0.00 H new ATOM 183 N LYS A 15 8.136 26.246 -7.141 1.00 0.00 N ATOM 184 CA LYS A 15 8.267 24.820 -6.870 1.00 0.00 C ATOM 185 C LYS A 15 6.973 24.083 -7.201 1.00 0.00 C ATOM 186 O LYS A 15 5.918 24.699 -7.356 1.00 0.00 O ATOM 187 CB LYS A 15 8.637 24.590 -5.403 1.00 0.00 C ATOM 188 CG LYS A 15 9.915 25.293 -4.981 1.00 0.00 C ATOM 189 CD LYS A 15 9.908 25.619 -3.497 1.00 0.00 C ATOM 190 CE LYS A 15 10.054 24.364 -2.650 1.00 0.00 C ATOM 191 NZ LYS A 15 11.470 23.909 -2.573 1.00 0.00 N ATOM 0 H LYS A 15 7.258 26.656 -6.824 1.00 0.00 H new ATOM 0 HA LYS A 15 9.061 24.426 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.818 24.934 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.746 23.520 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.772 24.661 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.033 26.212 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.721 26.308 -3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.979 26.127 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.680 24.559 -1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.439 23.568 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.509 22.967 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.872 23.862 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.020 24.580 -2.000 1.00 0.00 H new ATOM 205 N TYR A 16 7.061 22.761 -7.305 1.00 0.00 N ATOM 206 CA TYR A 16 5.897 21.940 -7.618 1.00 0.00 C ATOM 207 C TYR A 16 6.075 20.520 -7.090 1.00 0.00 C ATOM 208 O TYR A 16 7.190 20.005 -7.029 1.00 0.00 O ATOM 209 CB TYR A 16 5.659 21.909 -9.128 1.00 0.00 C ATOM 210 CG TYR A 16 6.921 21.701 -9.936 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.359 20.422 -10.258 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.673 22.782 -10.377 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.512 20.227 -10.994 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.826 22.596 -11.116 1.00 0.00 C ATOM 215 CZ TYR A 16 9.241 21.317 -11.421 1.00 0.00 C ATOM 216 OH TYR A 16 10.389 21.126 -12.156 1.00 0.00 O ATOM 0 H TYR A 16 7.926 22.236 -7.177 1.00 0.00 H new ATOM 0 HA TYR A 16 5.029 22.384 -7.130 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.954 21.111 -9.360 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.192 22.846 -9.433 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.789 19.566 -9.928 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.351 23.785 -10.138 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.841 19.226 -11.234 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.399 23.448 -11.453 1.00 0.00 H new ATOM 0 HH TYR A 16 10.783 21.995 -12.379 1.00 0.00 H new ATOM 226 N GLU A 17 4.965 19.893 -6.711 1.00 0.00 N ATOM 227 CA GLU A 17 4.998 18.532 -6.189 1.00 0.00 C ATOM 228 C GLU A 17 3.998 17.643 -6.923 1.00 0.00 C ATOM 229 O GLU A 17 2.793 17.893 -6.897 1.00 0.00 O ATOM 230 CB GLU A 17 4.693 18.530 -4.689 1.00 0.00 C ATOM 231 CG GLU A 17 5.916 18.769 -3.820 1.00 0.00 C ATOM 232 CD GLU A 17 5.609 18.656 -2.339 1.00 0.00 C ATOM 233 OE1 GLU A 17 4.429 18.441 -1.993 1.00 0.00 O ATOM 234 OE2 GLU A 17 6.549 18.784 -1.526 1.00 0.00 O ATOM 0 H GLU A 17 4.033 20.306 -6.756 1.00 0.00 H new ATOM 0 HA GLU A 17 5.999 18.133 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.951 19.299 -4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.247 17.573 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.691 18.049 -4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.318 19.760 -4.030 1.00 0.00 H new ATOM 241 N ASP A 18 4.508 16.606 -7.578 1.00 0.00 N ATOM 242 CA ASP A 18 3.661 15.678 -8.319 1.00 0.00 C ATOM 243 C ASP A 18 2.733 14.918 -7.377 1.00 0.00 C ATOM 244 O ASP A 18 3.188 14.231 -6.461 1.00 0.00 O ATOM 245 CB ASP A 18 4.521 14.694 -9.114 1.00 0.00 C ATOM 246 CG ASP A 18 5.555 15.392 -9.974 1.00 0.00 C ATOM 247 OD1 ASP A 18 5.211 16.412 -10.606 1.00 0.00 O ATOM 248 OD2 ASP A 18 6.710 14.917 -10.016 1.00 0.00 O ATOM 0 H ASP A 18 5.504 16.387 -7.611 1.00 0.00 H new ATOM 0 HA ASP A 18 3.050 16.256 -9.012 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.024 14.016 -8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.878 14.084 -9.748 1.00 0.00 H new ATOM 253 N LEU A 19 1.431 15.045 -7.608 1.00 0.00 N ATOM 254 CA LEU A 19 0.438 14.370 -6.779 1.00 0.00 C ATOM 255 C LEU A 19 -0.289 13.290 -7.572 1.00 0.00 C ATOM 256 O LEU A 19 -0.738 12.288 -7.013 1.00 0.00 O ATOM 257 CB LEU A 19 -0.570 15.382 -6.231 1.00 0.00 C ATOM 258 CG LEU A 19 -0.228 16.003 -4.876 1.00 0.00 C ATOM 259 CD1 LEU A 19 -1.061 17.253 -4.637 1.00 0.00 C ATOM 260 CD2 LEU A 19 -0.444 14.994 -3.758 1.00 0.00 C ATOM 0 H LEU A 19 1.038 15.609 -8.362 1.00 0.00 H new ATOM 0 HA LEU A 19 0.957 13.896 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.680 16.186 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.540 14.891 -6.149 1.00 0.00 H new ATOM 0 HG LEU A 19 0.824 16.288 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.804 17.682 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.857 17.982 -5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.119 16.993 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.196 15.453 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.487 14.678 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.196 14.127 -3.922 1.00 0.00 H new ATOM 272 N THR A 20 -0.401 13.497 -8.881 1.00 0.00 N ATOM 273 CA THR A 20 -1.073 12.540 -9.752 1.00 0.00 C ATOM 274 C THR A 20 -0.666 12.742 -11.207 1.00 0.00 C ATOM 275 O THR A 20 -0.955 13.779 -11.803 1.00 0.00 O ATOM 276 CB THR A 20 -2.605 12.656 -9.638 1.00 0.00 C ATOM 277 OG1 THR A 20 -2.993 12.682 -8.260 1.00 0.00 O ATOM 278 CG2 THR A 20 -3.289 11.493 -10.341 1.00 0.00 C ATOM 0 H THR A 20 -0.035 14.319 -9.361 1.00 0.00 H new ATOM 0 HA THR A 20 -0.766 11.546 -9.426 1.00 0.00 H new ATOM 0 HB THR A 20 -2.914 13.584 -10.119 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.332 12.195 -7.725 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.370 11.596 -10.247 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.015 11.493 -11.396 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.973 10.555 -9.884 1.00 0.00 H new ATOM 286 N GLU A 21 0.005 11.744 -11.773 1.00 0.00 N ATOM 287 CA GLU A 21 0.451 11.813 -13.159 1.00 0.00 C ATOM 288 C GLU A 21 -0.740 11.881 -14.111 1.00 0.00 C ATOM 289 O GLU A 21 -1.697 11.118 -13.981 1.00 0.00 O ATOM 290 CB GLU A 21 1.321 10.602 -13.500 1.00 0.00 C ATOM 291 CG GLU A 21 2.222 10.819 -14.704 1.00 0.00 C ATOM 292 CD GLU A 21 2.506 9.535 -15.459 1.00 0.00 C ATOM 293 OE1 GLU A 21 1.593 8.687 -15.550 1.00 0.00 O ATOM 294 OE2 GLU A 21 3.640 9.377 -15.958 1.00 0.00 O ATOM 0 H GLU A 21 0.252 10.878 -11.293 1.00 0.00 H new ATOM 0 HA GLU A 21 1.042 12.721 -13.278 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.937 10.353 -12.636 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.676 9.744 -13.689 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.755 11.537 -15.378 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.164 11.258 -14.374 1.00 0.00 H new ATOM 301 N GLY A 22 -0.674 12.801 -15.069 1.00 0.00 N ATOM 302 CA GLY A 22 -1.752 12.953 -16.028 1.00 0.00 C ATOM 303 C GLY A 22 -1.322 12.617 -17.442 1.00 0.00 C ATOM 304 O GLY A 22 -0.494 13.314 -18.028 1.00 0.00 O ATOM 0 H GLY A 22 0.107 13.444 -15.198 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.583 12.308 -15.741 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.119 13.979 -15.997 1.00 0.00 H new ATOM 308 N SER A 23 -1.884 11.545 -17.991 1.00 0.00 N ATOM 309 CA SER A 23 -1.549 11.114 -19.344 1.00 0.00 C ATOM 310 C SER A 23 -2.551 11.666 -20.353 1.00 0.00 C ATOM 311 O SER A 23 -2.908 10.995 -21.321 1.00 0.00 O ATOM 312 CB SER A 23 -1.517 9.587 -19.422 1.00 0.00 C ATOM 313 OG SER A 23 -0.946 9.150 -20.643 1.00 0.00 O ATOM 0 H SER A 23 -2.573 10.959 -17.520 1.00 0.00 H new ATOM 0 HA SER A 23 -0.561 11.503 -19.589 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.943 9.189 -18.585 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.529 9.194 -19.329 1.00 0.00 H new ATOM 0 HG SER A 23 -1.439 9.543 -21.394 1.00 0.00 H new ATOM 319 N GLY A 24 -3.003 12.894 -20.118 1.00 0.00 N ATOM 320 CA GLY A 24 -3.960 13.517 -21.014 1.00 0.00 C ATOM 321 C GLY A 24 -3.294 14.404 -22.048 1.00 0.00 C ATOM 322 O GLY A 24 -2.633 13.914 -22.963 1.00 0.00 O ATOM 0 H GLY A 24 -2.724 13.469 -19.323 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.536 12.743 -21.521 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.666 14.110 -20.432 1.00 0.00 H new ATOM 326 N ALA A 25 -3.471 15.713 -21.904 1.00 0.00 N ATOM 327 CA ALA A 25 -2.882 16.670 -22.832 1.00 0.00 C ATOM 328 C ALA A 25 -2.316 17.877 -22.091 1.00 0.00 C ATOM 329 O ALA A 25 -2.995 18.480 -21.260 1.00 0.00 O ATOM 330 CB ALA A 25 -3.914 17.114 -23.858 1.00 0.00 C ATOM 0 H ALA A 25 -4.018 16.135 -21.153 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.060 16.177 -23.350 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.460 17.829 -24.545 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.267 16.248 -24.417 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.755 17.584 -23.348 1.00 0.00 H new ATOM 336 N GLU A 26 -1.070 18.223 -22.397 1.00 0.00 N ATOM 337 CA GLU A 26 -0.414 19.358 -21.758 1.00 0.00 C ATOM 338 C GLU A 26 -1.131 20.662 -22.095 1.00 0.00 C ATOM 339 O GLU A 26 -1.519 20.891 -23.240 1.00 0.00 O ATOM 340 CB GLU A 26 1.050 19.441 -22.194 1.00 0.00 C ATOM 341 CG GLU A 26 1.765 20.684 -21.693 1.00 0.00 C ATOM 342 CD GLU A 26 3.176 20.806 -22.237 1.00 0.00 C ATOM 343 OE1 GLU A 26 3.965 19.854 -22.059 1.00 0.00 O ATOM 344 OE2 GLU A 26 3.489 21.853 -22.841 1.00 0.00 O ATOM 0 H GLU A 26 -0.495 17.734 -23.083 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.457 19.209 -20.679 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.578 18.558 -21.834 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.098 19.419 -23.283 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.193 21.567 -21.977 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.800 20.664 -20.604 1.00 0.00 H new ATOM 351 N ALA A 27 -1.304 21.512 -21.089 1.00 0.00 N ATOM 352 CA ALA A 27 -1.973 22.794 -21.278 1.00 0.00 C ATOM 353 C ALA A 27 -1.351 23.573 -22.432 1.00 0.00 C ATOM 354 O ALA A 27 -0.173 23.930 -22.388 1.00 0.00 O ATOM 355 CB ALA A 27 -1.918 23.612 -19.996 1.00 0.00 C ATOM 0 H ALA A 27 -0.990 21.337 -20.134 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.016 22.598 -21.527 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.421 24.566 -20.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.415 23.066 -19.194 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.878 23.790 -19.723 1.00 0.00 H new ATOM 361 N ARG A 28 -2.148 23.832 -23.463 1.00 0.00 N ATOM 362 CA ARG A 28 -1.674 24.567 -24.629 1.00 0.00 C ATOM 363 C ARG A 28 -1.706 26.071 -24.374 1.00 0.00 C ATOM 364 O ARG A 28 -2.405 26.544 -23.479 1.00 0.00 O ATOM 365 CB ARG A 28 -2.528 24.229 -25.853 1.00 0.00 C ATOM 366 CG ARG A 28 -2.225 22.864 -26.449 1.00 0.00 C ATOM 367 CD ARG A 28 -1.033 22.920 -27.391 1.00 0.00 C ATOM 368 NE ARG A 28 -1.433 23.223 -28.763 1.00 0.00 N ATOM 369 CZ ARG A 28 -1.997 22.338 -29.577 1.00 0.00 C ATOM 370 NH1 ARG A 28 -2.226 21.101 -29.159 1.00 0.00 N ATOM 371 NH2 ARG A 28 -2.333 22.690 -30.811 1.00 0.00 N ATOM 0 H ARG A 28 -3.125 23.544 -23.515 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.643 24.270 -24.820 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.581 24.268 -25.573 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.372 24.992 -26.616 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.024 22.152 -25.648 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.099 22.499 -26.988 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.331 23.677 -27.042 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.508 21.965 -27.369 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.270 24.166 -29.115 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.969 20.827 -28.211 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.659 20.423 -29.786 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.158 23.641 -31.136 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.766 22.010 -31.435 1.00 0.00 H new ATOM 385 N ALA A 29 -0.943 26.816 -25.166 1.00 0.00 N ATOM 386 CA ALA A 29 -0.884 28.266 -25.027 1.00 0.00 C ATOM 387 C ALA A 29 -1.909 28.946 -25.929 1.00 0.00 C ATOM 388 O ALA A 29 -2.209 28.462 -27.019 1.00 0.00 O ATOM 389 CB ALA A 29 0.516 28.771 -25.343 1.00 0.00 C ATOM 0 H ALA A 29 -0.357 26.440 -25.911 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.124 28.517 -23.994 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.545 29.855 -25.235 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.230 28.319 -24.655 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.778 28.501 -26.366 1.00 0.00 H new ATOM 395 N GLY A 30 -2.445 30.071 -25.465 1.00 0.00 N ATOM 396 CA GLY A 30 -3.432 30.798 -26.242 1.00 0.00 C ATOM 397 C GLY A 30 -4.801 30.149 -26.194 1.00 0.00 C ATOM 398 O GLY A 30 -5.737 30.613 -26.845 1.00 0.00 O ATOM 0 H GLY A 30 -2.213 30.492 -24.565 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.504 31.819 -25.868 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.099 30.861 -27.278 1.00 0.00 H new ATOM 402 N GLN A 31 -4.917 29.073 -25.423 1.00 0.00 N ATOM 403 CA GLN A 31 -6.181 28.358 -25.296 1.00 0.00 C ATOM 404 C GLN A 31 -6.681 28.389 -23.855 1.00 0.00 C ATOM 405 O GLN A 31 -5.894 28.503 -22.915 1.00 0.00 O ATOM 406 CB GLN A 31 -6.022 26.910 -25.762 1.00 0.00 C ATOM 407 CG GLN A 31 -6.236 26.724 -27.255 1.00 0.00 C ATOM 408 CD GLN A 31 -5.859 25.335 -27.731 1.00 0.00 C ATOM 409 OE1 GLN A 31 -4.983 25.173 -28.581 1.00 0.00 O ATOM 410 NE2 GLN A 31 -6.520 24.322 -27.183 1.00 0.00 N ATOM 0 H GLN A 31 -4.152 28.677 -24.877 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.916 28.856 -25.928 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.023 26.561 -25.500 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.731 26.283 -25.221 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.282 26.914 -27.494 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.645 27.462 -27.797 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.239 24.502 -26.482 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.309 23.364 -27.463 1.00 0.00 H new ATOM 419 N THR A 32 -7.996 28.286 -23.688 1.00 0.00 N ATOM 420 CA THR A 32 -8.602 28.304 -22.363 1.00 0.00 C ATOM 421 C THR A 32 -8.695 26.898 -21.782 1.00 0.00 C ATOM 422 O THR A 32 -9.411 26.044 -22.306 1.00 0.00 O ATOM 423 CB THR A 32 -10.010 28.927 -22.397 1.00 0.00 C ATOM 424 OG1 THR A 32 -10.027 30.052 -23.283 1.00 0.00 O ATOM 425 CG2 THR A 32 -10.443 29.364 -21.006 1.00 0.00 C ATOM 0 H THR A 32 -8.662 28.189 -24.455 1.00 0.00 H new ATOM 0 HA THR A 32 -7.958 28.914 -21.730 1.00 0.00 H new ATOM 0 HB THR A 32 -10.708 28.171 -22.757 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.926 30.441 -23.300 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.440 29.801 -21.056 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.458 28.500 -20.341 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.741 30.105 -20.622 1.00 0.00 H new ATOM 433 N VAL A 33 -7.967 26.662 -20.695 1.00 0.00 N ATOM 434 CA VAL A 33 -7.968 25.359 -20.041 1.00 0.00 C ATOM 435 C VAL A 33 -8.695 25.417 -18.702 1.00 0.00 C ATOM 436 O VAL A 33 -8.587 26.399 -17.967 1.00 0.00 O ATOM 437 CB VAL A 33 -6.535 24.844 -19.812 1.00 0.00 C ATOM 438 CG1 VAL A 33 -5.840 24.591 -21.141 1.00 0.00 C ATOM 439 CG2 VAL A 33 -5.743 25.831 -18.967 1.00 0.00 C ATOM 0 H VAL A 33 -7.369 27.357 -20.249 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.491 24.672 -20.706 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.589 23.899 -19.271 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.829 24.228 -20.959 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.398 23.845 -21.707 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.795 25.519 -21.711 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.733 25.451 -18.815 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.696 26.792 -19.479 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.232 25.958 -18.001 1.00 0.00 H new ATOM 449 N SER A 34 -9.437 24.358 -18.391 1.00 0.00 N ATOM 450 CA SER A 34 -10.185 24.290 -17.142 1.00 0.00 C ATOM 451 C SER A 34 -9.432 23.465 -16.102 1.00 0.00 C ATOM 452 O SER A 34 -9.153 22.284 -16.313 1.00 0.00 O ATOM 453 CB SER A 34 -11.569 23.685 -17.384 1.00 0.00 C ATOM 454 OG SER A 34 -12.050 24.013 -18.676 1.00 0.00 O ATOM 0 H SER A 34 -9.536 23.536 -18.987 1.00 0.00 H new ATOM 0 HA SER A 34 -10.301 25.305 -16.761 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.520 22.602 -17.275 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.266 24.050 -16.630 1.00 0.00 H new ATOM 0 HG SER A 34 -12.935 23.613 -18.807 1.00 0.00 H new ATOM 460 N VAL A 35 -9.105 24.096 -14.979 1.00 0.00 N ATOM 461 CA VAL A 35 -8.385 23.421 -13.905 1.00 0.00 C ATOM 462 C VAL A 35 -8.857 23.906 -12.538 1.00 0.00 C ATOM 463 O VAL A 35 -9.414 24.997 -12.413 1.00 0.00 O ATOM 464 CB VAL A 35 -6.866 23.646 -14.020 1.00 0.00 C ATOM 465 CG1 VAL A 35 -6.414 23.508 -15.466 1.00 0.00 C ATOM 466 CG2 VAL A 35 -6.485 25.009 -13.462 1.00 0.00 C ATOM 0 H VAL A 35 -9.327 25.073 -14.789 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.596 22.356 -14.003 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.358 22.883 -13.431 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.338 23.670 -15.528 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.652 22.508 -15.828 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.928 24.247 -16.080 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.408 25.151 -13.552 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.001 25.789 -14.022 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.772 25.066 -12.412 1.00 0.00 H new ATOM 476 N HIS A 36 -8.631 23.087 -11.516 1.00 0.00 N ATOM 477 CA HIS A 36 -9.032 23.432 -10.157 1.00 0.00 C ATOM 478 C HIS A 36 -7.848 23.973 -9.361 1.00 0.00 C ATOM 479 O HIS A 36 -6.769 23.378 -9.353 1.00 0.00 O ATOM 480 CB HIS A 36 -9.621 22.211 -9.450 1.00 0.00 C ATOM 481 CG HIS A 36 -11.118 22.190 -9.438 1.00 0.00 C ATOM 482 ND1 HIS A 36 -11.886 23.329 -9.315 1.00 0.00 N ATOM 483 CD2 HIS A 36 -11.990 21.159 -9.535 1.00 0.00 C ATOM 484 CE1 HIS A 36 -13.165 23.000 -9.336 1.00 0.00 C ATOM 485 NE2 HIS A 36 -13.255 21.689 -9.469 1.00 0.00 N ATOM 0 H HIS A 36 -8.172 22.180 -11.603 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.793 24.210 -10.217 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.257 21.308 -9.939 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.257 22.186 -8.423 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.738 20.115 -9.644 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.996 23.686 -9.258 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.124 21.156 -9.515 1.00 0.00 H new ATOM 493 N TYR A 37 -8.055 25.103 -8.695 1.00 0.00 N ATOM 494 CA TYR A 37 -7.004 25.725 -7.900 1.00 0.00 C ATOM 495 C TYR A 37 -7.391 25.771 -6.425 1.00 0.00 C ATOM 496 O TYR A 37 -8.546 26.024 -6.081 1.00 0.00 O ATOM 497 CB TYR A 37 -6.720 27.140 -8.408 1.00 0.00 C ATOM 498 CG TYR A 37 -7.872 28.098 -8.207 1.00 0.00 C ATOM 499 CD1 TYR A 37 -8.079 28.720 -6.983 1.00 0.00 C ATOM 500 CD2 TYR A 37 -8.754 28.381 -9.243 1.00 0.00 C ATOM 501 CE1 TYR A 37 -9.131 29.596 -6.795 1.00 0.00 C ATOM 502 CE2 TYR A 37 -9.808 29.256 -9.065 1.00 0.00 C ATOM 503 CZ TYR A 37 -9.993 29.861 -7.839 1.00 0.00 C ATOM 504 OH TYR A 37 -11.041 30.733 -7.656 1.00 0.00 O ATOM 0 H TYR A 37 -8.942 25.607 -8.690 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.102 25.121 -8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.840 27.531 -7.897 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.478 27.094 -9.470 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.406 28.516 -6.163 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.613 27.909 -10.204 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.278 30.071 -5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.484 29.465 -9.881 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.552 30.810 -8.489 1.00 0.00 H new ATOM 514 N THR A 38 -6.416 25.525 -5.555 1.00 0.00 N ATOM 515 CA THR A 38 -6.653 25.537 -4.117 1.00 0.00 C ATOM 516 C THR A 38 -5.553 26.297 -3.385 1.00 0.00 C ATOM 517 O THR A 38 -4.411 25.845 -3.319 1.00 0.00 O ATOM 518 CB THR A 38 -6.738 24.108 -3.550 1.00 0.00 C ATOM 519 OG1 THR A 38 -6.714 23.154 -4.618 1.00 0.00 O ATOM 520 CG2 THR A 38 -8.006 23.926 -2.729 1.00 0.00 C ATOM 0 H THR A 38 -5.454 25.315 -5.822 1.00 0.00 H new ATOM 0 HA THR A 38 -7.607 26.040 -3.958 1.00 0.00 H new ATOM 0 HB THR A 38 -5.877 23.947 -2.901 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.622 22.251 -4.248 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.044 22.909 -2.339 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.007 24.633 -1.899 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.877 24.105 -3.360 1.00 0.00 H new ATOM 528 N GLY A 39 -5.905 27.456 -2.836 1.00 0.00 N ATOM 529 CA GLY A 39 -4.936 28.260 -2.115 1.00 0.00 C ATOM 530 C GLY A 39 -4.810 27.852 -0.661 1.00 0.00 C ATOM 531 O GLY A 39 -5.798 27.836 0.074 1.00 0.00 O ATOM 0 H GLY A 39 -6.844 27.852 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.963 28.172 -2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.226 29.309 -2.171 1.00 0.00 H new ATOM 535 N TRP A 40 -3.594 27.518 -0.245 1.00 0.00 N ATOM 536 CA TRP A 40 -3.343 27.106 1.131 1.00 0.00 C ATOM 537 C TRP A 40 -2.214 27.923 1.748 1.00 0.00 C ATOM 538 O TRP A 40 -1.175 28.136 1.122 1.00 0.00 O ATOM 539 CB TRP A 40 -2.999 25.616 1.184 1.00 0.00 C ATOM 540 CG TRP A 40 -4.197 24.725 1.059 1.00 0.00 C ATOM 541 CD1 TRP A 40 -5.394 24.865 1.701 1.00 0.00 C ATOM 542 CD2 TRP A 40 -4.312 23.554 0.242 1.00 0.00 C ATOM 543 NE1 TRP A 40 -6.246 23.852 1.332 1.00 0.00 N ATOM 544 CE2 TRP A 40 -5.607 23.036 0.438 1.00 0.00 C ATOM 545 CE3 TRP A 40 -3.449 22.895 -0.637 1.00 0.00 C ATOM 546 CZ2 TRP A 40 -6.056 21.889 -0.213 1.00 0.00 C ATOM 547 CZ3 TRP A 40 -3.895 21.757 -1.282 1.00 0.00 C ATOM 548 CH2 TRP A 40 -5.189 21.264 -1.068 1.00 0.00 C ATOM 0 H TRP A 40 -2.766 27.524 -0.841 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.251 27.284 1.708 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.297 25.384 0.383 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.492 25.401 2.124 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.635 25.655 2.396 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -7.200 23.728 1.670 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.450 23.268 -0.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -7.053 21.507 -0.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.235 21.239 -1.962 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.509 20.373 -1.588 1.00 0.00 H new ATOM 559 N LEU A 41 -2.423 28.380 2.978 1.00 0.00 N ATOM 560 CA LEU A 41 -1.421 29.175 3.680 1.00 0.00 C ATOM 561 C LEU A 41 -0.205 28.326 4.037 1.00 0.00 C ATOM 562 O LEU A 41 -0.193 27.114 3.818 1.00 0.00 O ATOM 563 CB LEU A 41 -2.021 29.785 4.947 1.00 0.00 C ATOM 564 CG LEU A 41 -2.397 31.265 4.867 1.00 0.00 C ATOM 565 CD1 LEU A 41 -3.077 31.713 6.151 1.00 0.00 C ATOM 566 CD2 LEU A 41 -1.164 32.113 4.591 1.00 0.00 C ATOM 0 H LEU A 41 -3.277 28.214 3.510 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.099 29.977 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.913 29.218 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.308 29.655 5.761 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.098 31.399 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.337 32.769 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.982 31.126 6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.400 31.565 6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.450 33.164 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.440 31.974 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.718 31.809 3.644 1.00 0.00 H new ATOM 578 N THR A 42 0.818 28.970 4.590 1.00 0.00 N ATOM 579 CA THR A 42 2.039 28.275 4.979 1.00 0.00 C ATOM 580 C THR A 42 1.732 27.094 5.892 1.00 0.00 C ATOM 581 O THR A 42 2.470 26.109 5.919 1.00 0.00 O ATOM 582 CB THR A 42 3.020 29.222 5.695 1.00 0.00 C ATOM 583 OG1 THR A 42 2.364 29.871 6.790 1.00 0.00 O ATOM 584 CG2 THR A 42 3.565 30.267 4.733 1.00 0.00 C ATOM 0 H THR A 42 0.825 29.972 4.779 1.00 0.00 H new ATOM 0 HA THR A 42 2.502 27.911 4.062 1.00 0.00 H new ATOM 0 HB THR A 42 3.853 28.628 6.071 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.995 30.470 7.241 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.255 30.924 5.262 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.090 29.771 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.741 30.856 4.330 1.00 0.00 H new ATOM 592 N ASP A 43 0.638 27.198 6.639 1.00 0.00 N ATOM 593 CA ASP A 43 0.232 26.137 7.553 1.00 0.00 C ATOM 594 C ASP A 43 -0.775 25.204 6.889 1.00 0.00 C ATOM 595 O ASP A 43 -0.966 24.069 7.324 1.00 0.00 O ATOM 596 CB ASP A 43 -0.369 26.734 8.826 1.00 0.00 C ATOM 597 CG ASP A 43 -1.728 27.360 8.586 1.00 0.00 C ATOM 598 OD1 ASP A 43 -2.719 26.607 8.483 1.00 0.00 O ATOM 599 OD2 ASP A 43 -1.802 28.604 8.501 1.00 0.00 O ATOM 0 H ASP A 43 0.016 28.007 6.629 1.00 0.00 H new ATOM 0 HA ASP A 43 1.118 25.558 7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.460 25.954 9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.309 27.488 9.226 1.00 0.00 H new ATOM 604 N GLY A 44 -1.419 25.691 5.832 1.00 0.00 N ATOM 605 CA GLY A 44 -2.400 24.888 5.125 1.00 0.00 C ATOM 606 C GLY A 44 -3.789 25.492 5.176 1.00 0.00 C ATOM 607 O GLY A 44 -4.753 24.886 4.710 1.00 0.00 O ATOM 0 H GLY A 44 -1.279 26.627 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.093 24.778 4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.426 23.888 5.557 1.00 0.00 H new ATOM 611 N GLN A 45 -3.892 26.689 5.746 1.00 0.00 N ATOM 612 CA GLN A 45 -5.174 27.374 5.857 1.00 0.00 C ATOM 613 C GLN A 45 -5.722 27.732 4.480 1.00 0.00 C ATOM 614 O GLN A 45 -5.126 28.524 3.749 1.00 0.00 O ATOM 615 CB GLN A 45 -5.029 28.638 6.706 1.00 0.00 C ATOM 616 CG GLN A 45 -6.299 29.023 7.447 1.00 0.00 C ATOM 617 CD GLN A 45 -6.024 29.844 8.691 1.00 0.00 C ATOM 618 OE1 GLN A 45 -5.095 30.652 8.722 1.00 0.00 O ATOM 619 NE2 GLN A 45 -6.831 29.640 9.726 1.00 0.00 N ATOM 0 H GLN A 45 -3.103 27.204 6.138 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.877 26.697 6.342 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.227 28.490 7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.729 29.465 6.063 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.947 29.590 6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.841 28.119 7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.588 28.960 9.656 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.693 30.163 10.591 1.00 0.00 H new ATOM 628 N LYS A 46 -6.861 27.143 4.130 1.00 0.00 N ATOM 629 CA LYS A 46 -7.491 27.400 2.841 1.00 0.00 C ATOM 630 C LYS A 46 -8.025 28.827 2.771 1.00 0.00 C ATOM 631 O LYS A 46 -8.819 29.245 3.613 1.00 0.00 O ATOM 632 CB LYS A 46 -8.629 26.406 2.599 1.00 0.00 C ATOM 633 CG LYS A 46 -9.092 26.351 1.154 1.00 0.00 C ATOM 634 CD LYS A 46 -9.672 24.991 0.805 1.00 0.00 C ATOM 635 CE LYS A 46 -10.986 24.742 1.529 1.00 0.00 C ATOM 636 NZ LYS A 46 -12.098 25.549 0.954 1.00 0.00 N ATOM 0 H LYS A 46 -7.367 26.484 4.722 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.736 27.275 2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.303 25.412 2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.475 26.673 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.843 27.122 0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.253 26.570 0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.831 24.928 -0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.957 24.211 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.238 23.683 1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.870 24.984 2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.972 25.364 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.862 26.560 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.237 25.288 -0.043 1.00 0.00 H new ATOM 650 N PHE A 47 -7.584 29.570 1.760 1.00 0.00 N ATOM 651 CA PHE A 47 -8.019 30.950 1.580 1.00 0.00 C ATOM 652 C PHE A 47 -8.533 31.178 0.162 1.00 0.00 C ATOM 653 O PHE A 47 -8.726 32.316 -0.265 1.00 0.00 O ATOM 654 CB PHE A 47 -6.867 31.912 1.877 1.00 0.00 C ATOM 655 CG PHE A 47 -5.637 31.646 1.057 1.00 0.00 C ATOM 656 CD1 PHE A 47 -5.599 31.979 -0.287 1.00 0.00 C ATOM 657 CD2 PHE A 47 -4.518 31.064 1.631 1.00 0.00 C ATOM 658 CE1 PHE A 47 -4.469 31.734 -1.044 1.00 0.00 C ATOM 659 CE2 PHE A 47 -3.385 30.817 0.880 1.00 0.00 C ATOM 660 CZ PHE A 47 -3.360 31.154 -0.460 1.00 0.00 C ATOM 0 H PHE A 47 -6.926 29.239 1.054 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.834 31.142 2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.201 32.933 1.695 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.611 31.844 2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.462 32.435 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.532 30.800 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.453 31.996 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.520 30.361 1.339 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.475 30.964 -1.049 1.00 0.00 H new ATOM 670 N ASP A 48 -8.753 30.087 -0.563 1.00 0.00 N ATOM 671 CA ASP A 48 -9.246 30.166 -1.934 1.00 0.00 C ATOM 672 C ASP A 48 -9.493 28.772 -2.503 1.00 0.00 C ATOM 673 O ASP A 48 -8.592 27.934 -2.532 1.00 0.00 O ATOM 674 CB ASP A 48 -8.249 30.921 -2.814 1.00 0.00 C ATOM 675 CG ASP A 48 -8.926 31.667 -3.946 1.00 0.00 C ATOM 676 OD1 ASP A 48 -10.126 31.984 -3.814 1.00 0.00 O ATOM 677 OD2 ASP A 48 -8.256 31.934 -4.966 1.00 0.00 O ATOM 0 H ASP A 48 -8.598 29.137 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.192 30.708 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.690 31.627 -2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.527 30.216 -3.227 1.00 0.00 H new ATOM 682 N SER A 49 -10.719 28.532 -2.955 1.00 0.00 N ATOM 683 CA SER A 49 -11.086 27.239 -3.520 1.00 0.00 C ATOM 684 C SER A 49 -12.236 27.386 -4.512 1.00 0.00 C ATOM 685 O SER A 49 -13.369 27.677 -4.127 1.00 0.00 O ATOM 686 CB SER A 49 -11.479 26.265 -2.407 1.00 0.00 C ATOM 687 OG SER A 49 -12.031 25.075 -2.942 1.00 0.00 O ATOM 0 H SER A 49 -11.475 29.216 -2.941 1.00 0.00 H new ATOM 0 HA SER A 49 -10.220 26.843 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.603 26.024 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.202 26.739 -1.743 1.00 0.00 H new ATOM 0 HG SER A 49 -12.272 24.469 -2.211 1.00 0.00 H new ATOM 693 N SER A 50 -11.937 27.181 -5.790 1.00 0.00 N ATOM 694 CA SER A 50 -12.943 27.294 -6.839 1.00 0.00 C ATOM 695 C SER A 50 -14.000 26.202 -6.698 1.00 0.00 C ATOM 696 O SER A 50 -15.068 26.273 -7.306 1.00 0.00 O ATOM 697 CB SER A 50 -12.286 27.209 -8.218 1.00 0.00 C ATOM 698 OG SER A 50 -13.103 26.493 -9.129 1.00 0.00 O ATOM 0 H SER A 50 -11.005 26.936 -6.125 1.00 0.00 H new ATOM 0 HA SER A 50 -13.431 28.263 -6.737 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.104 28.213 -8.600 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.316 26.720 -8.133 1.00 0.00 H new ATOM 0 HG SER A 50 -14.043 26.728 -8.980 1.00 0.00 H new ATOM 704 N LYS A 51 -13.693 25.192 -5.892 1.00 0.00 N ATOM 705 CA LYS A 51 -14.614 24.084 -5.668 1.00 0.00 C ATOM 706 C LYS A 51 -15.956 24.589 -5.147 1.00 0.00 C ATOM 707 O LYS A 51 -16.983 23.930 -5.310 1.00 0.00 O ATOM 708 CB LYS A 51 -14.012 23.086 -4.676 1.00 0.00 C ATOM 709 CG LYS A 51 -12.716 22.457 -5.157 1.00 0.00 C ATOM 710 CD LYS A 51 -12.955 21.508 -6.320 1.00 0.00 C ATOM 711 CE LYS A 51 -13.234 20.093 -5.836 1.00 0.00 C ATOM 712 NZ LYS A 51 -12.453 19.081 -6.601 1.00 0.00 N ATOM 0 H LYS A 51 -12.813 25.118 -5.382 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.780 23.583 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.830 23.593 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.739 22.297 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.022 23.240 -5.462 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.246 21.916 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.797 21.863 -6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.083 21.505 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.988 20.016 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.298 19.879 -5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.671 18.130 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.706 19.136 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.436 19.269 -6.488 1.00 0.00 H new ATOM 726 N ASP A 52 -15.939 25.760 -4.521 1.00 0.00 N ATOM 727 CA ASP A 52 -17.155 26.355 -3.978 1.00 0.00 C ATOM 728 C ASP A 52 -18.223 26.489 -5.059 1.00 0.00 C ATOM 729 O ASP A 52 -19.398 26.204 -4.824 1.00 0.00 O ATOM 730 CB ASP A 52 -16.851 27.725 -3.371 1.00 0.00 C ATOM 731 CG ASP A 52 -17.822 28.098 -2.268 1.00 0.00 C ATOM 732 OD1 ASP A 52 -17.574 27.717 -1.104 1.00 0.00 O ATOM 733 OD2 ASP A 52 -18.831 28.770 -2.568 1.00 0.00 O ATOM 0 H ASP A 52 -15.097 26.317 -4.377 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.535 25.697 -3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.836 27.726 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.887 28.482 -4.154 1.00 0.00 H new ATOM 738 N ARG A 53 -17.808 26.926 -6.243 1.00 0.00 N ATOM 739 CA ARG A 53 -18.729 27.101 -7.360 1.00 0.00 C ATOM 740 C ARG A 53 -19.094 25.755 -7.980 1.00 0.00 C ATOM 741 O ARG A 53 -19.934 25.680 -8.875 1.00 0.00 O ATOM 742 CB ARG A 53 -18.112 28.013 -8.421 1.00 0.00 C ATOM 743 CG ARG A 53 -19.136 28.820 -9.202 1.00 0.00 C ATOM 744 CD ARG A 53 -19.592 30.044 -8.423 1.00 0.00 C ATOM 745 NE ARG A 53 -20.795 30.641 -8.997 1.00 0.00 N ATOM 746 CZ ARG A 53 -21.263 31.833 -8.646 1.00 0.00 C ATOM 747 NH1 ARG A 53 -20.632 32.553 -7.728 1.00 0.00 N ATOM 748 NH2 ARG A 53 -22.364 32.309 -9.214 1.00 0.00 N ATOM 0 H ARG A 53 -16.839 27.166 -6.454 1.00 0.00 H new ATOM 0 HA ARG A 53 -19.639 27.564 -6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.414 28.697 -7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -17.533 27.406 -9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -18.706 29.132 -10.154 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -19.997 28.192 -9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -19.785 29.763 -7.388 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.792 30.784 -8.409 1.00 0.00 H new ATOM 0 HE ARG A 53 -21.304 30.113 -9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.785 32.191 -7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -20.994 33.468 -7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -22.852 31.759 -9.921 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -22.722 33.225 -8.943 1.00 0.00 H new ATOM 762 N ASN A 54 -18.454 24.694 -7.497 1.00 0.00 N ATOM 763 CA ASN A 54 -18.710 23.351 -8.005 1.00 0.00 C ATOM 764 C ASN A 54 -18.309 23.239 -9.473 1.00 0.00 C ATOM 765 O ASN A 54 -18.780 22.357 -10.190 1.00 0.00 O ATOM 766 CB ASN A 54 -20.188 22.994 -7.840 1.00 0.00 C ATOM 767 CG ASN A 54 -20.438 21.502 -7.951 1.00 0.00 C ATOM 768 OD1 ASN A 54 -19.799 20.702 -7.269 1.00 0.00 O ATOM 769 ND2 ASN A 54 -21.373 21.122 -8.814 1.00 0.00 N ATOM 0 H ASN A 54 -17.755 24.739 -6.755 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.107 22.650 -7.428 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -20.538 23.347 -6.870 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -20.772 23.515 -8.599 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -21.586 20.131 -8.932 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -21.878 21.821 -9.359 1.00 0.00 H new ATOM 776 N ASP A 55 -17.436 24.139 -9.912 1.00 0.00 N ATOM 777 CA ASP A 55 -16.970 24.141 -11.294 1.00 0.00 C ATOM 778 C ASP A 55 -15.495 24.525 -11.369 1.00 0.00 C ATOM 779 O ASP A 55 -14.979 25.271 -10.537 1.00 0.00 O ATOM 780 CB ASP A 55 -17.805 25.108 -12.135 1.00 0.00 C ATOM 781 CG ASP A 55 -18.593 24.400 -13.220 1.00 0.00 C ATOM 782 OD1 ASP A 55 -19.194 23.345 -12.924 1.00 0.00 O ATOM 783 OD2 ASP A 55 -18.609 24.900 -14.363 1.00 0.00 O ATOM 0 H ASP A 55 -17.037 24.876 -9.331 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.086 23.133 -11.692 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.493 25.649 -11.485 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.148 25.848 -12.591 1.00 0.00 H new ATOM 788 N PRO A 56 -14.799 24.002 -12.390 1.00 0.00 N ATOM 789 CA PRO A 56 -13.374 24.276 -12.598 1.00 0.00 C ATOM 790 C PRO A 56 -13.117 25.715 -13.031 1.00 0.00 C ATOM 791 O PRO A 56 -14.048 26.451 -13.358 1.00 0.00 O ATOM 792 CB PRO A 56 -12.986 23.304 -13.715 1.00 0.00 C ATOM 793 CG PRO A 56 -14.256 23.044 -14.450 1.00 0.00 C ATOM 794 CD PRO A 56 -15.350 23.105 -13.420 1.00 0.00 C ATOM 0 HA PRO A 56 -12.796 24.148 -11.683 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.230 23.736 -14.371 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.567 22.383 -13.310 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.414 23.787 -15.232 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.232 22.069 -14.937 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.276 23.497 -13.840 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.576 22.119 -13.015 1.00 0.00 H new ATOM 802 N PHE A 57 -11.848 26.110 -13.032 1.00 0.00 N ATOM 803 CA PHE A 57 -11.469 27.462 -13.425 1.00 0.00 C ATOM 804 C PHE A 57 -10.910 27.480 -14.845 1.00 0.00 C ATOM 805 O PHE A 57 -9.808 26.993 -15.095 1.00 0.00 O ATOM 806 CB PHE A 57 -10.434 28.028 -12.450 1.00 0.00 C ATOM 807 CG PHE A 57 -9.881 29.360 -12.870 1.00 0.00 C ATOM 808 CD1 PHE A 57 -10.725 30.369 -13.306 1.00 0.00 C ATOM 809 CD2 PHE A 57 -8.518 29.604 -12.828 1.00 0.00 C ATOM 810 CE1 PHE A 57 -10.220 31.596 -13.692 1.00 0.00 C ATOM 811 CE2 PHE A 57 -8.007 30.829 -13.212 1.00 0.00 C ATOM 812 CZ PHE A 57 -8.859 31.826 -13.646 1.00 0.00 C ATOM 0 H PHE A 57 -11.065 25.513 -12.765 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.363 28.085 -13.398 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.890 28.127 -11.465 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.613 27.318 -12.351 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.790 30.194 -13.345 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.847 28.828 -12.491 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.889 32.374 -14.029 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.942 31.007 -13.173 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.462 32.783 -13.949 1.00 0.00 H new ATOM 822 N ALA A 58 -11.679 28.044 -15.770 1.00 0.00 N ATOM 823 CA ALA A 58 -11.261 28.126 -17.164 1.00 0.00 C ATOM 824 C ALA A 58 -10.504 29.422 -17.435 1.00 0.00 C ATOM 825 O ALA A 58 -11.081 30.509 -17.397 1.00 0.00 O ATOM 826 CB ALA A 58 -12.468 28.016 -18.084 1.00 0.00 C ATOM 0 H ALA A 58 -12.595 28.451 -15.579 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.587 27.293 -17.365 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.141 28.079 -19.122 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.966 27.061 -17.918 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.162 28.829 -17.872 1.00 0.00 H new ATOM 832 N PHE A 59 -9.209 29.300 -17.706 1.00 0.00 N ATOM 833 CA PHE A 59 -8.373 30.462 -17.981 1.00 0.00 C ATOM 834 C PHE A 59 -7.503 30.227 -19.213 1.00 0.00 C ATOM 835 O PHE A 59 -7.160 29.090 -19.537 1.00 0.00 O ATOM 836 CB PHE A 59 -7.490 30.779 -16.772 1.00 0.00 C ATOM 837 CG PHE A 59 -6.342 29.825 -16.602 1.00 0.00 C ATOM 838 CD1 PHE A 59 -5.132 30.056 -17.234 1.00 0.00 C ATOM 839 CD2 PHE A 59 -6.475 28.696 -15.809 1.00 0.00 C ATOM 840 CE1 PHE A 59 -4.073 29.181 -17.079 1.00 0.00 C ATOM 841 CE2 PHE A 59 -5.420 27.817 -15.649 1.00 0.00 C ATOM 842 CZ PHE A 59 -4.218 28.059 -16.286 1.00 0.00 C ATOM 0 H PHE A 59 -8.716 28.408 -17.741 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.028 31.311 -18.177 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.099 31.791 -16.873 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.102 30.762 -15.870 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.014 30.931 -17.856 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.413 28.501 -15.311 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.134 29.374 -17.577 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.535 26.942 -15.027 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.393 27.372 -16.164 1.00 0.00 H new ATOM 852 N VAL A 60 -7.150 31.311 -19.896 1.00 0.00 N ATOM 853 CA VAL A 60 -6.321 31.225 -21.092 1.00 0.00 C ATOM 854 C VAL A 60 -4.840 31.173 -20.731 1.00 0.00 C ATOM 855 O VAL A 60 -4.288 32.132 -20.189 1.00 0.00 O ATOM 856 CB VAL A 60 -6.567 32.419 -22.034 1.00 0.00 C ATOM 857 CG1 VAL A 60 -5.690 32.312 -23.272 1.00 0.00 C ATOM 858 CG2 VAL A 60 -8.037 32.500 -22.417 1.00 0.00 C ATOM 0 H VAL A 60 -7.425 32.260 -19.641 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.600 30.305 -21.605 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.301 33.336 -21.508 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.878 33.164 -23.926 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.641 32.306 -22.975 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.922 31.389 -23.804 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.193 33.349 -23.083 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.332 31.582 -22.925 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.641 32.628 -21.518 1.00 0.00 H new ATOM 868 N LEU A 61 -4.202 30.048 -21.035 1.00 0.00 N ATOM 869 CA LEU A 61 -2.784 29.871 -20.744 1.00 0.00 C ATOM 870 C LEU A 61 -1.929 30.782 -21.620 1.00 0.00 C ATOM 871 O LEU A 61 -2.072 30.797 -22.842 1.00 0.00 O ATOM 872 CB LEU A 61 -2.378 28.412 -20.958 1.00 0.00 C ATOM 873 CG LEU A 61 -0.884 28.153 -21.157 1.00 0.00 C ATOM 874 CD1 LEU A 61 -0.076 28.803 -20.045 1.00 0.00 C ATOM 875 CD2 LEU A 61 -0.605 26.658 -21.218 1.00 0.00 C ATOM 0 H LEU A 61 -4.644 29.245 -21.483 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.617 30.140 -19.701 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.716 27.832 -20.099 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.911 28.031 -21.829 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.581 28.598 -22.105 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.985 28.608 -20.204 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.251 29.879 -20.049 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.381 28.389 -19.084 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.463 26.493 -21.360 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.924 26.190 -20.287 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.154 26.219 -22.051 1.00 0.00 H new ATOM 887 N GLY A 62 -1.039 31.539 -20.986 1.00 0.00 N ATOM 888 CA GLY A 62 -0.173 32.440 -21.723 1.00 0.00 C ATOM 889 C GLY A 62 0.273 33.626 -20.891 1.00 0.00 C ATOM 890 O GLY A 62 1.323 34.213 -21.146 1.00 0.00 O ATOM 0 H GLY A 62 -0.902 31.544 -19.975 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.704 31.893 -22.070 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.697 32.798 -22.609 1.00 0.00 H new ATOM 894 N GLY A 63 -0.530 33.982 -19.892 1.00 0.00 N ATOM 895 CA GLY A 63 -0.197 35.105 -19.036 1.00 0.00 C ATOM 896 C GLY A 63 -1.225 36.216 -19.111 1.00 0.00 C ATOM 897 O GLY A 63 -1.739 36.525 -20.185 1.00 0.00 O ATOM 0 H GLY A 63 -1.405 33.512 -19.661 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.114 34.760 -18.005 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.779 35.498 -19.320 1.00 0.00 H new ATOM 901 N GLY A 64 -1.528 36.818 -17.965 1.00 0.00 N ATOM 902 CA GLY A 64 -2.503 37.893 -17.926 1.00 0.00 C ATOM 903 C GLY A 64 -3.337 37.874 -16.661 1.00 0.00 C ATOM 904 O GLY A 64 -3.251 38.787 -15.839 1.00 0.00 O ATOM 0 H GLY A 64 -1.116 36.581 -17.063 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.987 38.850 -18.003 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.160 37.815 -18.792 1.00 0.00 H new ATOM 908 N MET A 65 -4.148 36.833 -16.504 1.00 0.00 N ATOM 909 CA MET A 65 -5.002 36.700 -15.329 1.00 0.00 C ATOM 910 C MET A 65 -4.351 35.800 -14.283 1.00 0.00 C ATOM 911 O MET A 65 -4.686 35.864 -13.100 1.00 0.00 O ATOM 912 CB MET A 65 -6.367 36.137 -15.726 1.00 0.00 C ATOM 913 CG MET A 65 -7.395 37.208 -16.054 1.00 0.00 C ATOM 914 SD MET A 65 -8.920 36.523 -16.730 1.00 0.00 S ATOM 915 CE MET A 65 -9.182 37.604 -18.134 1.00 0.00 C ATOM 0 H MET A 65 -4.232 36.070 -17.175 1.00 0.00 H new ATOM 0 HA MET A 65 -5.138 37.691 -14.895 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.244 35.486 -16.591 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.746 35.518 -14.913 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.624 37.774 -15.151 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.967 37.909 -16.770 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.091 37.307 -18.657 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.282 38.633 -17.788 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.333 37.531 -18.813 1.00 0.00 H new ATOM 925 N VAL A 66 -3.421 34.961 -14.727 1.00 0.00 N ATOM 926 CA VAL A 66 -2.723 34.048 -13.830 1.00 0.00 C ATOM 927 C VAL A 66 -1.371 34.614 -13.413 1.00 0.00 C ATOM 928 O VAL A 66 -0.986 35.706 -13.835 1.00 0.00 O ATOM 929 CB VAL A 66 -2.511 32.670 -14.484 1.00 0.00 C ATOM 930 CG1 VAL A 66 -3.835 32.101 -14.972 1.00 0.00 C ATOM 931 CG2 VAL A 66 -1.511 32.771 -15.626 1.00 0.00 C ATOM 0 H VAL A 66 -3.133 34.895 -15.703 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.352 33.930 -12.948 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.105 31.990 -13.735 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.665 31.127 -15.431 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.517 31.991 -14.129 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.273 32.777 -15.706 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.373 31.788 -16.077 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.886 33.466 -16.378 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.556 33.132 -15.243 1.00 0.00 H new ATOM 941 N ILE A 67 -0.652 33.866 -12.583 1.00 0.00 N ATOM 942 CA ILE A 67 0.659 34.292 -12.110 1.00 0.00 C ATOM 943 C ILE A 67 1.773 33.516 -12.804 1.00 0.00 C ATOM 944 O ILE A 67 1.529 32.484 -13.430 1.00 0.00 O ATOM 945 CB ILE A 67 0.794 34.111 -10.587 1.00 0.00 C ATOM 946 CG1 ILE A 67 1.006 32.636 -10.243 1.00 0.00 C ATOM 947 CG2 ILE A 67 -0.437 34.654 -9.877 1.00 0.00 C ATOM 948 CD1 ILE A 67 0.996 32.353 -8.757 1.00 0.00 C ATOM 0 H ILE A 67 -0.956 32.961 -12.224 1.00 0.00 H new ATOM 0 HA ILE A 67 0.753 35.351 -12.351 1.00 0.00 H new ATOM 0 HB ILE A 67 1.663 34.673 -10.246 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.226 32.044 -10.722 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.958 32.307 -10.661 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.326 34.518 -8.801 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.547 35.715 -10.100 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.321 34.118 -10.221 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.152 31.287 -8.588 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.794 32.917 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.035 32.650 -8.337 1.00 0.00 H new ATOM 960 N LYS A 68 2.998 34.018 -12.687 1.00 0.00 N ATOM 961 CA LYS A 68 4.152 33.371 -13.300 1.00 0.00 C ATOM 962 C LYS A 68 4.164 31.877 -12.994 1.00 0.00 C ATOM 963 O LYS A 68 4.208 31.047 -13.901 1.00 0.00 O ATOM 964 CB LYS A 68 5.447 34.015 -12.802 1.00 0.00 C ATOM 965 CG LYS A 68 5.662 35.427 -13.319 1.00 0.00 C ATOM 966 CD LYS A 68 6.502 36.251 -12.357 1.00 0.00 C ATOM 967 CE LYS A 68 5.635 36.964 -11.331 1.00 0.00 C ATOM 968 NZ LYS A 68 4.903 38.116 -11.928 1.00 0.00 N ATOM 0 H LYS A 68 3.217 34.871 -12.173 1.00 0.00 H new ATOM 0 HA LYS A 68 4.080 33.502 -14.380 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.438 34.034 -11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.291 33.394 -13.103 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.153 35.389 -14.291 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.697 35.912 -13.468 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.213 35.602 -11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.084 36.984 -12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.919 36.259 -10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.259 37.316 -10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.517 38.713 -11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.556 38.677 -12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.125 37.763 -12.521 1.00 0.00 H new ATOM 982 N GLY A 69 4.123 31.540 -11.708 1.00 0.00 N ATOM 983 CA GLY A 69 4.130 30.146 -11.305 1.00 0.00 C ATOM 984 C GLY A 69 3.048 29.338 -11.996 1.00 0.00 C ATOM 985 O GLY A 69 3.212 28.141 -12.228 1.00 0.00 O ATOM 0 H GLY A 69 4.085 32.208 -10.938 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.104 29.711 -11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.994 30.082 -10.225 1.00 0.00 H new ATOM 989 N TRP A 70 1.941 29.994 -12.323 1.00 0.00 N ATOM 990 CA TRP A 70 0.827 29.328 -12.989 1.00 0.00 C ATOM 991 C TRP A 70 1.178 28.997 -14.435 1.00 0.00 C ATOM 992 O TRP A 70 1.075 27.846 -14.860 1.00 0.00 O ATOM 993 CB TRP A 70 -0.422 30.210 -12.943 1.00 0.00 C ATOM 994 CG TRP A 70 -1.582 29.560 -12.251 1.00 0.00 C ATOM 995 CD1 TRP A 70 -2.669 28.982 -12.840 1.00 0.00 C ATOM 996 CD2 TRP A 70 -1.771 29.426 -10.838 1.00 0.00 C ATOM 997 NE1 TRP A 70 -3.522 28.496 -11.879 1.00 0.00 N ATOM 998 CE2 TRP A 70 -2.993 28.755 -10.643 1.00 0.00 C ATOM 999 CE3 TRP A 70 -1.025 29.806 -9.719 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -3.485 28.458 -9.374 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -1.514 29.510 -8.461 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -2.734 28.841 -8.296 1.00 0.00 C ATOM 0 H TRP A 70 1.790 30.986 -12.138 1.00 0.00 H new ATOM 0 HA TRP A 70 0.624 28.396 -12.461 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.181 31.143 -12.434 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -0.714 30.468 -13.961 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.834 28.916 -13.905 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.406 28.019 -12.057 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.083 30.322 -9.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.426 27.944 -9.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.946 29.799 -7.589 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -3.088 28.623 -7.299 1.00 0.00 H new ATOM 1013 N ASP A 71 1.592 30.011 -15.186 1.00 0.00 N ATOM 1014 CA ASP A 71 1.960 29.826 -16.585 1.00 0.00 C ATOM 1015 C ASP A 71 3.007 28.727 -16.732 1.00 0.00 C ATOM 1016 O ASP A 71 2.886 27.852 -17.589 1.00 0.00 O ATOM 1017 CB ASP A 71 2.491 31.135 -17.172 1.00 0.00 C ATOM 1018 CG ASP A 71 3.286 30.918 -18.445 1.00 0.00 C ATOM 1019 OD1 ASP A 71 2.709 30.397 -19.422 1.00 0.00 O ATOM 1020 OD2 ASP A 71 4.484 31.269 -18.464 1.00 0.00 O ATOM 0 H ASP A 71 1.681 30.970 -14.850 1.00 0.00 H new ATOM 0 HA ASP A 71 1.067 29.527 -17.133 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.655 31.803 -17.379 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.121 31.632 -16.434 1.00 0.00 H new ATOM 1025 N GLU A 72 4.034 28.778 -15.889 1.00 0.00 N ATOM 1026 CA GLU A 72 5.102 27.787 -15.927 1.00 0.00 C ATOM 1027 C GLU A 72 4.569 26.398 -15.587 1.00 0.00 C ATOM 1028 O GLU A 72 4.814 25.433 -16.309 1.00 0.00 O ATOM 1029 CB GLU A 72 6.218 28.170 -14.952 1.00 0.00 C ATOM 1030 CG GLU A 72 7.554 27.519 -15.270 1.00 0.00 C ATOM 1031 CD GLU A 72 7.539 26.019 -15.050 1.00 0.00 C ATOM 1032 OE1 GLU A 72 7.574 25.592 -13.877 1.00 0.00 O ATOM 1033 OE2 GLU A 72 7.494 25.273 -16.050 1.00 0.00 O ATOM 0 H GLU A 72 4.148 29.495 -15.172 1.00 0.00 H new ATOM 0 HA GLU A 72 5.505 27.764 -16.939 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.340 29.253 -14.960 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.918 27.890 -13.942 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.818 27.728 -16.307 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.329 27.966 -14.647 1.00 0.00 H new ATOM 1040 N GLY A 73 3.838 26.307 -14.480 1.00 0.00 N ATOM 1041 CA GLY A 73 3.281 25.033 -14.062 1.00 0.00 C ATOM 1042 C GLY A 73 2.325 24.454 -15.086 1.00 0.00 C ATOM 1043 O GLY A 73 2.527 23.343 -15.576 1.00 0.00 O ATOM 0 H GLY A 73 3.622 27.092 -13.866 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.092 24.326 -13.886 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.759 25.162 -13.114 1.00 0.00 H new ATOM 1047 N VAL A 74 1.279 25.208 -15.409 1.00 0.00 N ATOM 1048 CA VAL A 74 0.287 24.763 -16.381 1.00 0.00 C ATOM 1049 C VAL A 74 0.940 24.428 -17.718 1.00 0.00 C ATOM 1050 O VAL A 74 0.475 23.548 -18.442 1.00 0.00 O ATOM 1051 CB VAL A 74 -0.798 25.833 -16.606 1.00 0.00 C ATOM 1052 CG1 VAL A 74 -0.229 27.018 -17.372 1.00 0.00 C ATOM 1053 CG2 VAL A 74 -1.990 25.236 -17.338 1.00 0.00 C ATOM 0 H VAL A 74 1.097 26.130 -15.012 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.177 23.866 -15.971 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.139 26.190 -15.634 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.010 27.764 -17.521 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.590 27.459 -16.804 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.141 26.681 -18.340 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.747 26.006 -17.489 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.667 24.850 -18.305 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.411 24.424 -16.746 1.00 0.00 H new ATOM 1063 N GLN A 75 2.018 25.136 -18.037 1.00 0.00 N ATOM 1064 CA GLN A 75 2.734 24.913 -19.288 1.00 0.00 C ATOM 1065 C GLN A 75 3.197 23.464 -19.400 1.00 0.00 C ATOM 1066 O GLN A 75 3.461 22.969 -20.494 1.00 0.00 O ATOM 1067 CB GLN A 75 3.936 25.854 -19.386 1.00 0.00 C ATOM 1068 CG GLN A 75 3.680 27.080 -20.247 1.00 0.00 C ATOM 1069 CD GLN A 75 4.846 28.049 -20.245 1.00 0.00 C ATOM 1070 OE1 GLN A 75 5.624 28.100 -19.292 1.00 0.00 O ATOM 1071 NE2 GLN A 75 4.975 28.823 -21.316 1.00 0.00 N ATOM 0 H GLN A 75 2.415 25.868 -17.448 1.00 0.00 H new ATOM 0 HA GLN A 75 2.050 25.121 -20.111 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.217 26.177 -18.383 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.785 25.305 -19.794 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.477 26.764 -21.270 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.787 27.591 -19.888 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.307 28.747 -22.083 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.742 29.493 -21.372 1.00 0.00 H new ATOM 1080 N GLY A 76 3.294 22.789 -18.258 1.00 0.00 N ATOM 1081 CA GLY A 76 3.725 21.403 -18.250 1.00 0.00 C ATOM 1082 C GLY A 76 2.618 20.453 -17.840 1.00 0.00 C ATOM 1083 O GLY A 76 2.522 19.341 -18.358 1.00 0.00 O ATOM 0 H GLY A 76 3.082 23.177 -17.339 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.083 21.132 -19.243 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.567 21.292 -17.566 1.00 0.00 H new ATOM 1087 N MET A 77 1.780 20.892 -16.906 1.00 0.00 N ATOM 1088 CA MET A 77 0.674 20.071 -16.426 1.00 0.00 C ATOM 1089 C MET A 77 -0.159 19.546 -17.592 1.00 0.00 C ATOM 1090 O MET A 77 -0.278 20.201 -18.628 1.00 0.00 O ATOM 1091 CB MET A 77 -0.212 20.877 -15.474 1.00 0.00 C ATOM 1092 CG MET A 77 0.118 20.659 -14.006 1.00 0.00 C ATOM 1093 SD MET A 77 -0.800 19.285 -13.285 1.00 0.00 S ATOM 1094 CE MET A 77 0.177 17.893 -13.846 1.00 0.00 C ATOM 0 H MET A 77 1.846 21.810 -16.467 1.00 0.00 H new ATOM 0 HA MET A 77 1.092 19.220 -15.889 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.112 21.937 -15.707 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.254 20.610 -15.647 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.187 20.471 -13.902 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.102 21.570 -13.449 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.195 17.126 -13.072 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.263 17.482 -14.754 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.195 18.223 -14.054 1.00 0.00 H new ATOM 1104 N LYS A 78 -0.734 18.361 -17.416 1.00 0.00 N ATOM 1105 CA LYS A 78 -1.556 17.748 -18.452 1.00 0.00 C ATOM 1106 C LYS A 78 -2.960 17.458 -17.931 1.00 0.00 C ATOM 1107 O LYS A 78 -3.186 17.406 -16.722 1.00 0.00 O ATOM 1108 CB LYS A 78 -0.907 16.454 -18.948 1.00 0.00 C ATOM 1109 CG LYS A 78 0.383 16.678 -19.718 1.00 0.00 C ATOM 1110 CD LYS A 78 1.351 15.521 -19.531 1.00 0.00 C ATOM 1111 CE LYS A 78 2.099 15.627 -18.211 1.00 0.00 C ATOM 1112 NZ LYS A 78 2.924 14.417 -17.942 1.00 0.00 N ATOM 0 H LYS A 78 -0.646 17.806 -16.565 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.633 18.450 -19.283 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.703 15.809 -18.094 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.614 15.924 -19.586 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.159 16.799 -20.778 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.852 17.604 -19.384 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.804 14.579 -19.566 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.065 15.506 -20.355 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.741 16.508 -18.227 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.385 15.768 -17.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.418 14.528 -17.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.309 13.579 -17.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.622 14.297 -18.703 1.00 0.00 H new ATOM 1126 N VAL A 79 -3.900 17.267 -18.851 1.00 0.00 N ATOM 1127 CA VAL A 79 -5.282 16.978 -18.484 1.00 0.00 C ATOM 1128 C VAL A 79 -5.359 15.805 -17.514 1.00 0.00 C ATOM 1129 O VAL A 79 -4.860 14.717 -17.798 1.00 0.00 O ATOM 1130 CB VAL A 79 -6.137 16.661 -19.725 1.00 0.00 C ATOM 1131 CG1 VAL A 79 -7.583 16.406 -19.326 1.00 0.00 C ATOM 1132 CG2 VAL A 79 -6.047 17.794 -20.737 1.00 0.00 C ATOM 0 H VAL A 79 -3.730 17.307 -19.856 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.675 17.872 -18.000 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.748 15.756 -20.191 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.172 16.184 -20.216 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.627 15.560 -18.641 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.987 17.292 -18.836 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.657 17.553 -21.608 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.410 18.717 -20.284 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.010 17.925 -21.046 1.00 0.00 H new ATOM 1142 N GLY A 80 -5.990 16.034 -16.366 1.00 0.00 N ATOM 1143 CA GLY A 80 -6.122 14.986 -15.371 1.00 0.00 C ATOM 1144 C GLY A 80 -4.933 14.925 -14.432 1.00 0.00 C ATOM 1145 O GLY A 80 -4.884 14.085 -13.535 1.00 0.00 O ATOM 0 H GLY A 80 -6.412 16.926 -16.108 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.030 15.151 -14.792 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.235 14.025 -15.873 1.00 0.00 H new ATOM 1149 N GLY A 81 -3.970 15.817 -14.641 1.00 0.00 N ATOM 1150 CA GLY A 81 -2.787 15.843 -13.800 1.00 0.00 C ATOM 1151 C GLY A 81 -2.955 16.740 -12.590 1.00 0.00 C ATOM 1152 O GLY A 81 -3.481 17.848 -12.698 1.00 0.00 O ATOM 0 H GLY A 81 -3.988 16.522 -15.378 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.558 14.830 -13.468 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.935 16.186 -14.387 1.00 0.00 H new ATOM 1156 N VAL A 82 -2.509 16.261 -11.433 1.00 0.00 N ATOM 1157 CA VAL A 82 -2.614 17.027 -10.197 1.00 0.00 C ATOM 1158 C VAL A 82 -1.249 17.196 -9.539 1.00 0.00 C ATOM 1159 O VAL A 82 -0.554 16.217 -9.266 1.00 0.00 O ATOM 1160 CB VAL A 82 -3.573 16.353 -9.198 1.00 0.00 C ATOM 1161 CG1 VAL A 82 -3.777 17.235 -7.976 1.00 0.00 C ATOM 1162 CG2 VAL A 82 -4.903 16.038 -9.867 1.00 0.00 C ATOM 0 H VAL A 82 -2.071 15.346 -11.326 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.010 18.007 -10.464 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.127 15.415 -8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.457 16.743 -7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.818 17.405 -7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.202 18.191 -8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.569 15.562 -9.147 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.357 16.961 -10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.737 15.365 -10.708 1.00 0.00 H new ATOM 1172 N ARG A 83 -0.871 18.445 -9.286 1.00 0.00 N ATOM 1173 CA ARG A 83 0.411 18.744 -8.660 1.00 0.00 C ATOM 1174 C ARG A 83 0.307 19.979 -7.769 1.00 0.00 C ATOM 1175 O ARG A 83 -0.376 20.945 -8.109 1.00 0.00 O ATOM 1176 CB ARG A 83 1.485 18.960 -9.727 1.00 0.00 C ATOM 1177 CG ARG A 83 1.363 20.289 -10.454 1.00 0.00 C ATOM 1178 CD ARG A 83 2.500 20.490 -11.443 1.00 0.00 C ATOM 1179 NE ARG A 83 2.710 19.312 -12.282 1.00 0.00 N ATOM 1180 CZ ARG A 83 3.766 19.152 -13.072 1.00 0.00 C ATOM 1181 NH1 ARG A 83 4.702 20.089 -13.131 1.00 0.00 N ATOM 1182 NH2 ARG A 83 3.887 18.052 -13.805 1.00 0.00 N ATOM 0 H ARG A 83 -1.435 19.266 -9.505 1.00 0.00 H new ATOM 0 HA ARG A 83 0.691 17.893 -8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.467 18.901 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.430 18.151 -10.455 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.410 20.330 -10.981 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.362 21.103 -9.729 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.283 21.351 -12.075 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.417 20.716 -10.900 1.00 0.00 H new ATOM 0 HE ARG A 83 2.008 18.573 -12.260 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.612 20.935 -12.569 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.512 19.963 -13.738 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.169 17.329 -13.762 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.698 17.930 -14.411 1.00 0.00 H new ATOM 1196 N ARG A 84 0.989 19.939 -6.629 1.00 0.00 N ATOM 1197 CA ARG A 84 0.972 21.054 -5.690 1.00 0.00 C ATOM 1198 C ARG A 84 2.045 22.080 -6.044 1.00 0.00 C ATOM 1199 O ARG A 84 3.231 21.866 -5.791 1.00 0.00 O ATOM 1200 CB ARG A 84 1.187 20.548 -4.262 1.00 0.00 C ATOM 1201 CG ARG A 84 0.663 21.496 -3.195 1.00 0.00 C ATOM 1202 CD ARG A 84 0.280 20.750 -1.927 1.00 0.00 C ATOM 1203 NE ARG A 84 1.351 19.872 -1.463 1.00 0.00 N ATOM 1204 CZ ARG A 84 1.265 19.123 -0.370 1.00 0.00 C ATOM 1205 NH1 ARG A 84 0.163 19.143 0.367 1.00 0.00 N ATOM 1206 NH2 ARG A 84 2.283 18.349 -0.013 1.00 0.00 N ATOM 0 H ARG A 84 1.560 19.147 -6.334 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.003 21.537 -5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.696 19.581 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.252 20.385 -4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.424 22.242 -2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.204 22.033 -3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.035 21.468 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.618 20.160 -2.111 1.00 0.00 H new ATOM 0 HE ARG A 84 2.212 19.832 -2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.622 19.735 0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.100 18.566 1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.132 18.330 -0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.216 17.774 0.827 1.00 0.00 H new ATOM 1220 N LEU A 85 1.620 23.193 -6.632 1.00 0.00 N ATOM 1221 CA LEU A 85 2.543 24.253 -7.022 1.00 0.00 C ATOM 1222 C LEU A 85 2.783 25.219 -5.866 1.00 0.00 C ATOM 1223 O LEU A 85 1.847 25.826 -5.345 1.00 0.00 O ATOM 1224 CB LEU A 85 1.997 25.013 -8.232 1.00 0.00 C ATOM 1225 CG LEU A 85 2.925 26.066 -8.838 1.00 0.00 C ATOM 1226 CD1 LEU A 85 3.529 25.560 -10.139 1.00 0.00 C ATOM 1227 CD2 LEU A 85 2.174 27.369 -9.068 1.00 0.00 C ATOM 0 H LEU A 85 0.642 23.385 -6.849 1.00 0.00 H new ATOM 0 HA LEU A 85 3.494 23.792 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.746 24.289 -9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.068 25.502 -7.940 1.00 0.00 H new ATOM 0 HG LEU A 85 3.736 26.256 -8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.187 26.323 -10.556 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.102 24.653 -9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.732 25.341 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.850 28.107 -9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.343 27.194 -9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.790 27.740 -8.118 1.00 0.00 H new ATOM 1239 N THR A 86 4.045 25.358 -5.470 1.00 0.00 N ATOM 1240 CA THR A 86 4.408 26.251 -4.377 1.00 0.00 C ATOM 1241 C THR A 86 4.994 27.556 -4.904 1.00 0.00 C ATOM 1242 O THR A 86 6.035 27.558 -5.563 1.00 0.00 O ATOM 1243 CB THR A 86 5.426 25.591 -3.427 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.350 24.166 -3.542 1.00 0.00 O ATOM 1245 CG2 THR A 86 5.168 26.004 -1.986 1.00 0.00 C ATOM 0 H THR A 86 4.832 24.864 -5.890 1.00 0.00 H new ATOM 0 HA THR A 86 3.492 26.464 -3.826 1.00 0.00 H new ATOM 0 HB THR A 86 6.424 25.925 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.001 23.754 -2.937 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.899 25.526 -1.334 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.256 27.087 -1.897 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.164 25.696 -1.693 1.00 0.00 H new ATOM 1253 N ILE A 87 4.321 28.663 -4.610 1.00 0.00 N ATOM 1254 CA ILE A 87 4.778 29.974 -5.054 1.00 0.00 C ATOM 1255 C ILE A 87 5.199 30.839 -3.870 1.00 0.00 C ATOM 1256 O ILE A 87 4.483 30.966 -2.877 1.00 0.00 O ATOM 1257 CB ILE A 87 3.684 30.711 -5.850 1.00 0.00 C ATOM 1258 CG1 ILE A 87 3.081 29.785 -6.908 1.00 0.00 C ATOM 1259 CG2 ILE A 87 4.254 31.964 -6.498 1.00 0.00 C ATOM 1260 CD1 ILE A 87 1.674 29.334 -6.585 1.00 0.00 C ATOM 0 H ILE A 87 3.458 28.678 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 87 5.638 29.806 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 87 2.893 31.009 -5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.077 30.299 -7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.719 28.908 -7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.469 32.474 -7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.640 32.629 -5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.061 31.688 -7.176 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.310 28.681 -7.378 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.674 28.792 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.022 30.204 -6.504 1.00 0.00 H new ATOM 1272 N PRO A 88 6.388 31.450 -3.978 1.00 0.00 N ATOM 1273 CA PRO A 88 6.932 32.315 -2.927 1.00 0.00 C ATOM 1274 C PRO A 88 6.161 33.625 -2.798 1.00 0.00 C ATOM 1275 O PRO A 88 5.314 33.958 -3.627 1.00 0.00 O ATOM 1276 CB PRO A 88 8.365 32.582 -3.393 1.00 0.00 C ATOM 1277 CG PRO A 88 8.321 32.410 -4.872 1.00 0.00 C ATOM 1278 CD PRO A 88 7.294 31.343 -5.134 1.00 0.00 C ATOM 0 HA PRO A 88 6.869 31.850 -1.943 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.689 33.586 -3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.067 31.885 -2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.049 33.343 -5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.296 32.117 -5.260 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.768 31.513 -6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.749 30.355 -5.198 1.00 0.00 H new ATOM 1286 N PRO A 89 6.459 34.386 -1.735 1.00 0.00 N ATOM 1287 CA PRO A 89 5.805 35.672 -1.474 1.00 0.00 C ATOM 1288 C PRO A 89 6.213 36.744 -2.479 1.00 0.00 C ATOM 1289 O PRO A 89 5.670 37.849 -2.474 1.00 0.00 O ATOM 1290 CB PRO A 89 6.295 36.040 -0.071 1.00 0.00 C ATOM 1291 CG PRO A 89 7.595 35.327 0.076 1.00 0.00 C ATOM 1292 CD PRO A 89 7.458 34.050 -0.706 1.00 0.00 C ATOM 0 HA PRO A 89 4.720 35.603 -1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.421 37.118 0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.583 35.726 0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.417 35.932 -0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 89 7.811 35.121 1.124 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.406 33.747 -1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.124 33.226 -0.075 1.00 0.00 H new ATOM 1300 N GLN A 90 7.170 36.410 -3.338 1.00 0.00 N ATOM 1301 CA GLN A 90 7.649 37.345 -4.349 1.00 0.00 C ATOM 1302 C GLN A 90 6.926 37.132 -5.675 1.00 0.00 C ATOM 1303 O GLN A 90 6.530 38.090 -6.339 1.00 0.00 O ATOM 1304 CB GLN A 90 9.158 37.187 -4.546 1.00 0.00 C ATOM 1305 CG GLN A 90 9.947 37.211 -3.247 1.00 0.00 C ATOM 1306 CD GLN A 90 11.366 37.708 -3.435 1.00 0.00 C ATOM 1307 OE1 GLN A 90 11.661 38.881 -3.204 1.00 0.00 O ATOM 1308 NE2 GLN A 90 12.255 36.816 -3.856 1.00 0.00 N ATOM 0 H GLN A 90 7.629 35.499 -3.354 1.00 0.00 H new ATOM 0 HA GLN A 90 7.439 38.356 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.352 36.247 -5.062 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.517 37.986 -5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.435 37.850 -2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.971 36.207 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.967 35.854 -4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.226 37.093 -4.000 1.00 0.00 H new ATOM 1317 N LEU A 91 6.758 35.870 -6.054 1.00 0.00 N ATOM 1318 CA LEU A 91 6.082 35.530 -7.302 1.00 0.00 C ATOM 1319 C LEU A 91 4.600 35.261 -7.063 1.00 0.00 C ATOM 1320 O LEU A 91 3.954 34.553 -7.835 1.00 0.00 O ATOM 1321 CB LEU A 91 6.737 34.306 -7.943 1.00 0.00 C ATOM 1322 CG LEU A 91 8.266 34.314 -7.998 1.00 0.00 C ATOM 1323 CD1 LEU A 91 8.778 33.117 -8.784 1.00 0.00 C ATOM 1324 CD2 LEU A 91 8.770 35.613 -8.612 1.00 0.00 C ATOM 0 H LEU A 91 7.080 35.066 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 91 6.174 36.380 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.418 33.419 -7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.357 34.206 -8.960 1.00 0.00 H new ATOM 0 HG LEU A 91 8.648 34.244 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.867 33.139 -8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.446 32.197 -8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.388 33.156 -9.801 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.859 35.602 -8.643 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.379 35.713 -9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.433 36.456 -8.008 1.00 0.00 H new ATOM 1336 N GLY A 92 4.065 35.833 -5.988 1.00 0.00 N ATOM 1337 CA GLY A 92 2.663 35.645 -5.668 1.00 0.00 C ATOM 1338 C GLY A 92 1.890 36.949 -5.658 1.00 0.00 C ATOM 1339 O GLY A 92 1.789 37.627 -6.681 1.00 0.00 O ATOM 0 H GLY A 92 4.578 36.423 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.216 34.967 -6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.577 35.168 -4.692 1.00 0.00 H new ATOM 1343 N TYR A 93 1.342 37.301 -4.500 1.00 0.00 N ATOM 1344 CA TYR A 93 0.570 38.531 -4.363 1.00 0.00 C ATOM 1345 C TYR A 93 1.360 39.730 -4.878 1.00 0.00 C ATOM 1346 O TYR A 93 0.975 40.366 -5.859 1.00 0.00 O ATOM 1347 CB TYR A 93 0.181 38.753 -2.900 1.00 0.00 C ATOM 1348 CG TYR A 93 -0.984 37.903 -2.448 1.00 0.00 C ATOM 1349 CD1 TYR A 93 -0.839 36.535 -2.254 1.00 0.00 C ATOM 1350 CD2 TYR A 93 -2.232 38.468 -2.212 1.00 0.00 C ATOM 1351 CE1 TYR A 93 -1.902 35.754 -1.842 1.00 0.00 C ATOM 1352 CE2 TYR A 93 -3.300 37.696 -1.798 1.00 0.00 C ATOM 1353 CZ TYR A 93 -3.130 36.339 -1.615 1.00 0.00 C ATOM 1354 OH TYR A 93 -4.190 35.566 -1.203 1.00 0.00 O ATOM 0 H TYR A 93 1.418 36.753 -3.643 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.335 38.431 -4.962 1.00 0.00 H new ATOM 0 HB2 TYR A 93 1.043 38.540 -2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.069 39.804 -2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 93 0.122 36.074 -2.428 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.369 39.530 -2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.772 34.692 -1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.262 38.152 -1.619 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.609 35.977 -0.419 1.00 0.00 H new ATOM 1364 N GLY A 94 2.468 40.033 -4.209 1.00 0.00 N ATOM 1365 CA GLY A 94 3.296 41.154 -4.613 1.00 0.00 C ATOM 1366 C GLY A 94 3.810 41.951 -3.431 1.00 0.00 C ATOM 1367 O GLY A 94 3.718 41.507 -2.287 1.00 0.00 O ATOM 0 H GLY A 94 2.807 39.522 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.141 40.786 -5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.721 41.810 -5.267 1.00 0.00 H new ATOM 1371 N ALA A 95 4.356 43.131 -3.707 1.00 0.00 N ATOM 1372 CA ALA A 95 4.887 43.991 -2.657 1.00 0.00 C ATOM 1373 C ALA A 95 3.814 44.326 -1.627 1.00 0.00 C ATOM 1374 O ALA A 95 4.111 44.520 -0.448 1.00 0.00 O ATOM 1375 CB ALA A 95 5.459 45.266 -3.259 1.00 0.00 C ATOM 0 H ALA A 95 4.442 43.513 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 95 5.686 43.451 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.852 45.899 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.262 45.013 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.673 45.800 -3.793 1.00 0.00 H new ATOM 1381 N ARG A 96 2.566 44.393 -2.080 1.00 0.00 N ATOM 1382 CA ARG A 96 1.449 44.707 -1.197 1.00 0.00 C ATOM 1383 C ARG A 96 1.102 43.511 -0.314 1.00 0.00 C ATOM 1384 O ARG A 96 1.285 43.551 0.902 1.00 0.00 O ATOM 1385 CB ARG A 96 0.225 45.122 -2.015 1.00 0.00 C ATOM 1386 CG ARG A 96 0.257 46.573 -2.465 1.00 0.00 C ATOM 1387 CD ARG A 96 0.057 47.524 -1.295 1.00 0.00 C ATOM 1388 NE ARG A 96 0.115 48.923 -1.710 1.00 0.00 N ATOM 1389 CZ ARG A 96 0.034 49.944 -0.864 1.00 0.00 C ATOM 1390 NH1 ARG A 96 -0.107 49.723 0.436 1.00 0.00 N ATOM 1391 NH2 ARG A 96 0.096 51.189 -1.318 1.00 0.00 N ATOM 0 H ARG A 96 2.303 44.234 -3.053 1.00 0.00 H new ATOM 0 HA ARG A 96 1.747 45.537 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.150 44.480 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -0.673 44.955 -1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.211 46.784 -2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.521 46.741 -3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.907 47.325 -0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.822 47.337 -0.542 1.00 0.00 H new ATOM 0 HE ARG A 96 0.224 49.127 -2.703 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.154 48.767 0.789 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.169 50.509 1.083 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.206 51.363 -2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.034 51.973 -0.668 1.00 0.00 H new ATOM 1405 N GLY A 97 0.600 42.449 -0.935 1.00 0.00 N ATOM 1406 CA GLY A 97 0.235 41.258 -0.191 1.00 0.00 C ATOM 1407 C GLY A 97 -0.910 41.503 0.771 1.00 0.00 C ATOM 1408 O GLY A 97 -1.125 42.630 1.217 1.00 0.00 O ATOM 0 H GLY A 97 0.439 42.392 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.044 40.469 -0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.102 40.901 0.365 1.00 0.00 H new ATOM 1412 N ALA A 98 -1.650 40.446 1.091 1.00 0.00 N ATOM 1413 CA ALA A 98 -2.779 40.553 2.006 1.00 0.00 C ATOM 1414 C ALA A 98 -2.371 41.243 3.304 1.00 0.00 C ATOM 1415 O ALA A 98 -1.189 41.306 3.639 1.00 0.00 O ATOM 1416 CB ALA A 98 -3.354 39.174 2.298 1.00 0.00 C ATOM 0 H ALA A 98 -1.487 39.506 0.730 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.546 41.161 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.197 39.269 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.692 38.716 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.586 38.548 2.752 1.00 0.00 H new ATOM 1422 N GLY A 99 -3.358 41.760 4.029 1.00 0.00 N ATOM 1423 CA GLY A 99 -3.080 42.440 5.281 1.00 0.00 C ATOM 1424 C GLY A 99 -2.222 41.609 6.214 1.00 0.00 C ATOM 1425 O GLY A 99 -1.070 41.951 6.478 1.00 0.00 O ATOM 0 H GLY A 99 -4.344 41.720 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.577 43.384 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.020 42.682 5.776 1.00 0.00 H new ATOM 1429 N GLY A 100 -2.785 40.514 6.717 1.00 0.00 N ATOM 1430 CA GLY A 100 -2.049 39.650 7.622 1.00 0.00 C ATOM 1431 C GLY A 100 -1.992 38.216 7.135 1.00 0.00 C ATOM 1432 O GLY A 100 -1.026 37.500 7.402 1.00 0.00 O ATOM 0 H GLY A 100 -3.737 40.210 6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.035 40.031 7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.516 39.678 8.607 1.00 0.00 H new ATOM 1436 N VAL A 101 -3.029 37.793 6.421 1.00 0.00 N ATOM 1437 CA VAL A 101 -3.094 36.434 5.896 1.00 0.00 C ATOM 1438 C VAL A 101 -1.867 36.113 5.050 1.00 0.00 C ATOM 1439 O VAL A 101 -1.422 34.966 4.993 1.00 0.00 O ATOM 1440 CB VAL A 101 -4.360 36.219 5.047 1.00 0.00 C ATOM 1441 CG1 VAL A 101 -4.424 34.788 4.535 1.00 0.00 C ATOM 1442 CG2 VAL A 101 -5.605 36.562 5.851 1.00 0.00 C ATOM 0 H VAL A 101 -3.837 38.372 6.192 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.125 35.764 6.755 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.316 36.886 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.326 34.655 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.548 34.582 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.445 34.100 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.491 36.404 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.657 35.922 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.561 37.606 6.163 1.00 0.00 H new ATOM 1452 N ILE A 102 -1.324 37.133 4.395 1.00 0.00 N ATOM 1453 CA ILE A 102 -0.147 36.959 3.552 1.00 0.00 C ATOM 1454 C ILE A 102 1.039 37.750 4.095 1.00 0.00 C ATOM 1455 O ILE A 102 1.385 38.820 3.594 1.00 0.00 O ATOM 1456 CB ILE A 102 -0.423 37.399 2.102 1.00 0.00 C ATOM 1457 CG1 ILE A 102 -1.596 36.608 1.520 1.00 0.00 C ATOM 1458 CG2 ILE A 102 0.823 37.217 1.248 1.00 0.00 C ATOM 1459 CD1 ILE A 102 -1.320 35.126 1.393 1.00 0.00 C ATOM 0 H ILE A 102 -1.680 38.088 4.431 1.00 0.00 H new ATOM 0 HA ILE A 102 0.093 35.896 3.560 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.688 38.456 2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.472 36.754 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.843 37.009 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.613 37.532 0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.634 37.821 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.116 36.167 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.194 34.628 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.464 34.970 0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.103 34.711 2.377 1.00 0.00 H new ATOM 1471 N PRO A 103 1.679 37.211 5.143 1.00 0.00 N ATOM 1472 CA PRO A 103 2.838 37.849 5.776 1.00 0.00 C ATOM 1473 C PRO A 103 4.073 37.821 4.883 1.00 0.00 C ATOM 1474 O PRO A 103 4.121 37.125 3.869 1.00 0.00 O ATOM 1475 CB PRO A 103 3.066 37.003 7.031 1.00 0.00 C ATOM 1476 CG PRO A 103 2.489 35.670 6.700 1.00 0.00 C ATOM 1477 CD PRO A 103 1.321 35.939 5.792 1.00 0.00 C ATOM 0 HA PRO A 103 2.661 38.904 5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.127 36.927 7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.575 37.442 7.899 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.227 35.036 6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.170 35.148 7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.186 35.140 5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.389 36.021 6.350 1.00 0.00 H new ATOM 1485 N PRO A 104 5.099 38.596 5.266 1.00 0.00 N ATOM 1486 CA PRO A 104 6.354 38.677 4.514 1.00 0.00 C ATOM 1487 C PRO A 104 7.167 37.390 4.602 1.00 0.00 C ATOM 1488 O PRO A 104 7.114 36.679 5.604 1.00 0.00 O ATOM 1489 CB PRO A 104 7.101 39.828 5.193 1.00 0.00 C ATOM 1490 CG PRO A 104 6.551 39.873 6.576 1.00 0.00 C ATOM 1491 CD PRO A 104 5.112 39.453 6.464 1.00 0.00 C ATOM 0 HA PRO A 104 6.181 38.832 3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.177 39.652 5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.936 40.770 4.670 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.102 39.204 7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.633 40.875 6.996 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.782 38.910 7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 104 4.450 40.312 6.351 1.00 0.00 H new ATOM 1499 N ASN A 105 7.918 37.096 3.545 1.00 0.00 N ATOM 1500 CA ASN A 105 8.742 35.894 3.504 1.00 0.00 C ATOM 1501 C ASN A 105 7.910 34.653 3.814 1.00 0.00 C ATOM 1502 O ASN A 105 8.371 33.738 4.495 1.00 0.00 O ATOM 1503 CB ASN A 105 9.898 36.008 4.500 1.00 0.00 C ATOM 1504 CG ASN A 105 10.931 37.032 4.071 1.00 0.00 C ATOM 1505 OD1 ASN A 105 11.186 37.212 2.881 1.00 0.00 O ATOM 1506 ND2 ASN A 105 11.531 37.709 5.044 1.00 0.00 N ATOM 0 H ASN A 105 7.973 37.674 2.706 1.00 0.00 H new ATOM 0 HA ASN A 105 9.147 35.796 2.497 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.505 36.281 5.479 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.378 35.035 4.609 1.00 0.00 H new ATOM 0 HD21 ASN A 105 12.235 38.411 4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 105 11.288 37.526 6.018 1.00 0.00 H new ATOM 1513 N ALA A 106 6.681 34.631 3.308 1.00 0.00 N ATOM 1514 CA ALA A 106 5.785 33.502 3.529 1.00 0.00 C ATOM 1515 C ALA A 106 5.540 32.735 2.234 1.00 0.00 C ATOM 1516 O ALA A 106 5.204 33.323 1.205 1.00 0.00 O ATOM 1517 CB ALA A 106 4.467 33.982 4.118 1.00 0.00 C ATOM 0 H ALA A 106 6.283 35.381 2.743 1.00 0.00 H new ATOM 0 HA ALA A 106 6.261 32.824 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 106 3.808 33.129 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.654 34.480 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.994 34.682 3.429 1.00 0.00 H new ATOM 1523 N THR A 107 5.709 31.418 2.290 1.00 0.00 N ATOM 1524 CA THR A 107 5.508 30.570 1.122 1.00 0.00 C ATOM 1525 C THR A 107 4.042 30.183 0.969 1.00 0.00 C ATOM 1526 O THR A 107 3.424 29.668 1.902 1.00 0.00 O ATOM 1527 CB THR A 107 6.359 29.289 1.203 1.00 0.00 C ATOM 1528 OG1 THR A 107 7.751 29.626 1.226 1.00 0.00 O ATOM 1529 CG2 THR A 107 6.074 28.373 0.023 1.00 0.00 C ATOM 0 H THR A 107 5.985 30.915 3.133 1.00 0.00 H new ATOM 0 HA THR A 107 5.821 31.150 0.254 1.00 0.00 H new ATOM 0 HB THR A 107 6.097 28.764 2.121 1.00 0.00 H new ATOM 0 HG1 THR A 107 8.285 28.806 1.279 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.687 27.475 0.103 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.020 28.094 0.025 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.310 28.892 -0.906 1.00 0.00 H new ATOM 1537 N LEU A 108 3.489 30.433 -0.213 1.00 0.00 N ATOM 1538 CA LEU A 108 2.093 30.110 -0.488 1.00 0.00 C ATOM 1539 C LEU A 108 1.976 28.768 -1.203 1.00 0.00 C ATOM 1540 O LEU A 108 2.590 28.554 -2.249 1.00 0.00 O ATOM 1541 CB LEU A 108 1.452 31.210 -1.336 1.00 0.00 C ATOM 1542 CG LEU A 108 1.761 32.648 -0.916 1.00 0.00 C ATOM 1543 CD1 LEU A 108 3.002 33.158 -1.632 1.00 0.00 C ATOM 1544 CD2 LEU A 108 0.571 33.553 -1.197 1.00 0.00 C ATOM 0 H LEU A 108 3.986 30.858 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 108 1.567 30.041 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.773 31.078 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.371 31.072 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 108 1.955 32.659 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.206 34.182 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.853 32.525 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.837 33.132 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.809 34.572 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.345 33.537 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.295 33.200 -0.637 1.00 0.00 H new ATOM 1556 N VAL A 109 1.182 27.867 -0.634 1.00 0.00 N ATOM 1557 CA VAL A 109 0.981 26.547 -1.218 1.00 0.00 C ATOM 1558 C VAL A 109 -0.310 26.494 -2.027 1.00 0.00 C ATOM 1559 O VAL A 109 -1.407 26.562 -1.472 1.00 0.00 O ATOM 1560 CB VAL A 109 0.939 25.453 -0.134 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.633 24.098 -0.753 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.251 25.414 0.634 1.00 0.00 C ATOM 0 H VAL A 109 0.667 28.028 0.232 1.00 0.00 H new ATOM 0 HA VAL A 109 1.828 26.362 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 109 0.140 25.692 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.608 23.338 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.335 24.137 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.407 23.846 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.204 24.636 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.069 25.200 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.422 26.379 1.111 1.00 0.00 H new ATOM 1572 N PHE A 110 -0.173 26.374 -3.343 1.00 0.00 N ATOM 1573 CA PHE A 110 -1.328 26.313 -4.231 1.00 0.00 C ATOM 1574 C PHE A 110 -1.384 24.974 -4.960 1.00 0.00 C ATOM 1575 O PHE A 110 -0.381 24.507 -5.498 1.00 0.00 O ATOM 1576 CB PHE A 110 -1.280 27.457 -5.245 1.00 0.00 C ATOM 1577 CG PHE A 110 -1.712 28.779 -4.679 1.00 0.00 C ATOM 1578 CD1 PHE A 110 -0.795 29.617 -4.064 1.00 0.00 C ATOM 1579 CD2 PHE A 110 -3.034 29.185 -4.761 1.00 0.00 C ATOM 1580 CE1 PHE A 110 -1.190 30.834 -3.541 1.00 0.00 C ATOM 1581 CE2 PHE A 110 -3.434 30.401 -4.241 1.00 0.00 C ATOM 1582 CZ PHE A 110 -2.511 31.227 -3.630 1.00 0.00 C ATOM 0 H PHE A 110 0.727 26.317 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 110 -2.227 26.413 -3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.264 27.550 -5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.919 27.208 -6.092 1.00 0.00 H new ATOM 0 HD1 PHE A 110 0.240 29.316 -3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.761 28.543 -5.237 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.466 31.477 -3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.468 30.705 -4.312 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.821 32.178 -3.223 1.00 0.00 H new ATOM 1592 N GLU A 111 -2.564 24.362 -4.971 1.00 0.00 N ATOM 1593 CA GLU A 111 -2.751 23.075 -5.632 1.00 0.00 C ATOM 1594 C GLU A 111 -3.452 23.251 -6.977 1.00 0.00 C ATOM 1595 O GLU A 111 -4.532 23.837 -7.054 1.00 0.00 O ATOM 1596 CB GLU A 111 -3.562 22.132 -4.742 1.00 0.00 C ATOM 1597 CG GLU A 111 -3.247 20.662 -4.967 1.00 0.00 C ATOM 1598 CD GLU A 111 -4.230 19.742 -4.269 1.00 0.00 C ATOM 1599 OE1 GLU A 111 -5.446 20.018 -4.326 1.00 0.00 O ATOM 1600 OE2 GLU A 111 -3.781 18.745 -3.666 1.00 0.00 O ATOM 0 H GLU A 111 -3.404 24.736 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.767 22.640 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.373 22.380 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.624 22.299 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.255 20.452 -6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.240 20.451 -4.608 1.00 0.00 H new ATOM 1607 N VAL A 112 -2.828 22.740 -8.034 1.00 0.00 N ATOM 1608 CA VAL A 112 -3.391 22.840 -9.375 1.00 0.00 C ATOM 1609 C VAL A 112 -3.670 21.459 -9.958 1.00 0.00 C ATOM 1610 O VAL A 112 -2.766 20.633 -10.082 1.00 0.00 O ATOM 1611 CB VAL A 112 -2.449 23.604 -10.324 1.00 0.00 C ATOM 1612 CG1 VAL A 112 -3.075 23.739 -11.703 1.00 0.00 C ATOM 1613 CG2 VAL A 112 -2.107 24.970 -9.748 1.00 0.00 C ATOM 0 H VAL A 112 -1.933 22.253 -7.987 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.328 23.390 -9.285 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.524 23.036 -10.426 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.395 24.282 -12.360 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.264 22.748 -12.115 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.015 24.285 -11.624 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -1.441 25.496 -10.431 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.021 25.548 -9.615 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.614 24.845 -8.784 1.00 0.00 H new ATOM 1623 N GLU A 113 -4.928 21.216 -10.313 1.00 0.00 N ATOM 1624 CA GLU A 113 -5.326 19.934 -10.883 1.00 0.00 C ATOM 1625 C GLU A 113 -6.030 20.129 -12.223 1.00 0.00 C ATOM 1626 O GLU A 113 -7.178 20.572 -12.275 1.00 0.00 O ATOM 1627 CB GLU A 113 -6.244 19.184 -9.916 1.00 0.00 C ATOM 1628 CG GLU A 113 -7.189 20.092 -9.146 1.00 0.00 C ATOM 1629 CD GLU A 113 -6.704 20.379 -7.739 1.00 0.00 C ATOM 1630 OE1 GLU A 113 -5.497 20.191 -7.478 1.00 0.00 O ATOM 1631 OE2 GLU A 113 -7.530 20.792 -6.898 1.00 0.00 O ATOM 0 H GLU A 113 -5.688 21.889 -10.216 1.00 0.00 H new ATOM 0 HA GLU A 113 -4.425 19.344 -11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.830 18.455 -10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.633 18.625 -9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.304 21.032 -9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -8.175 19.629 -9.099 1.00 0.00 H new ATOM 1638 N LEU A 114 -5.334 19.795 -13.304 1.00 0.00 N ATOM 1639 CA LEU A 114 -5.891 19.933 -14.645 1.00 0.00 C ATOM 1640 C LEU A 114 -7.126 19.055 -14.815 1.00 0.00 C ATOM 1641 O LEU A 114 -7.096 17.859 -14.522 1.00 0.00 O ATOM 1642 CB LEU A 114 -4.841 19.565 -15.695 1.00 0.00 C ATOM 1643 CG LEU A 114 -4.027 20.726 -16.267 1.00 0.00 C ATOM 1644 CD1 LEU A 114 -4.840 21.489 -17.302 1.00 0.00 C ATOM 1645 CD2 LEU A 114 -3.571 21.657 -15.153 1.00 0.00 C ATOM 0 H LEU A 114 -4.383 19.427 -13.278 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.186 20.973 -14.784 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.151 18.847 -15.253 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.343 19.059 -16.520 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.143 20.318 -16.758 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.245 22.312 -17.698 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.117 20.817 -18.115 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.742 21.886 -16.836 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.993 22.478 -15.578 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.442 22.057 -14.634 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.951 21.104 -14.448 1.00 0.00 H new ATOM 1657 N LEU A 115 -8.212 19.655 -15.291 1.00 0.00 N ATOM 1658 CA LEU A 115 -9.458 18.928 -15.502 1.00 0.00 C ATOM 1659 C LEU A 115 -9.677 18.641 -16.984 1.00 0.00 C ATOM 1660 O LEU A 115 -9.868 17.492 -17.383 1.00 0.00 O ATOM 1661 CB LEU A 115 -10.639 19.726 -14.946 1.00 0.00 C ATOM 1662 CG LEU A 115 -10.833 19.669 -13.430 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -10.463 21.000 -12.795 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -12.268 19.293 -13.090 1.00 0.00 C ATOM 0 H LEU A 115 -8.254 20.644 -15.538 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.388 17.978 -14.973 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.516 20.769 -15.238 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.551 19.367 -15.423 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.173 18.902 -13.026 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.607 20.941 -11.716 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.419 21.228 -13.010 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.097 21.787 -13.203 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.388 19.257 -12.007 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.947 20.037 -13.506 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -12.498 18.315 -13.513 1.00 0.00 H new ATOM 1676 N ASP A 116 -9.645 19.692 -17.796 1.00 0.00 N ATOM 1677 CA ASP A 116 -9.836 19.553 -19.235 1.00 0.00 C ATOM 1678 C ASP A 116 -9.177 20.707 -19.984 1.00 0.00 C ATOM 1679 O ASP A 116 -8.866 21.744 -19.399 1.00 0.00 O ATOM 1680 CB ASP A 116 -11.328 19.498 -19.569 1.00 0.00 C ATOM 1681 CG ASP A 116 -11.585 19.055 -20.996 1.00 0.00 C ATOM 1682 OD1 ASP A 116 -10.706 18.384 -21.576 1.00 0.00 O ATOM 1683 OD2 ASP A 116 -12.664 19.381 -21.534 1.00 0.00 O ATOM 0 H ASP A 116 -9.489 20.650 -17.482 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.366 18.622 -19.552 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.826 18.812 -18.883 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.769 20.482 -19.412 1.00 0.00 H new ATOM 1688 N VAL A 117 -8.964 20.517 -21.283 1.00 0.00 N ATOM 1689 CA VAL A 117 -8.341 21.541 -22.113 1.00 0.00 C ATOM 1690 C VAL A 117 -8.925 21.537 -23.521 1.00 0.00 C ATOM 1691 O VAL A 117 -9.530 20.543 -23.920 1.00 0.00 O ATOM 1692 CB VAL A 117 -6.817 21.342 -22.200 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -6.206 21.281 -20.808 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -6.488 20.086 -22.991 1.00 0.00 C ATOM 0 H VAL A 117 -9.214 19.664 -21.783 1.00 0.00 H new ATOM 0 HA VAL A 117 -8.548 22.501 -21.640 1.00 0.00 H new ATOM 0 HB VAL A 117 -6.386 22.196 -22.723 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.128 21.140 -20.890 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -6.411 22.212 -20.279 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.640 20.447 -20.256 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.406 19.961 -23.042 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -6.930 19.220 -22.499 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.891 20.175 -24.000 1.00 0.00 H new TER 1704 VAL A 117 HETATM 1705 C1 L2S A 130 -5.509 31.367 -10.449 1.00 0.00 C HETATM 1706 N1 L2S A 130 -5.843 33.703 -8.766 1.00 0.00 N HETATM 1707 O1 L2S A 130 -5.017 35.599 -7.797 1.00 0.00 O HETATM 1708 S1 L2S A 130 -8.137 34.652 -6.415 1.00 0.00 S HETATM 1709 C2 L2S A 130 -4.433 32.448 -10.425 1.00 0.00 C HETATM 1710 C3 L2S A 130 -4.472 33.205 -9.084 1.00 0.00 C HETATM 1711 C4 L2S A 130 -6.968 32.738 -8.923 1.00 0.00 C HETATM 1712 C5 L2S A 130 -6.902 31.982 -10.259 1.00 0.00 C HETATM 1713 C6 L2S A 130 -5.977 34.905 -8.147 1.00 0.00 C HETATM 1714 C7 L2S A 130 -7.387 35.457 -7.894 1.00 0.00 C HETATM 1715 C8 L2S A 130 -7.605 35.626 -5.054 1.00 0.00 C HETATM 1716 C9 L2S A 130 -7.127 34.929 -3.919 1.00 0.00 C HETATM 1717 C10 L2S A 130 -6.867 35.630 -2.726 1.00 0.00 C HETATM 1718 C11 L2S A 130 -7.082 37.031 -2.692 1.00 0.00 C HETATM 1719 C12 L2S A 130 -7.557 37.730 -3.817 1.00 0.00 C HETATM 1720 C13 L2S A 130 -7.817 37.030 -5.011 1.00 0.00 C HETATM 1721 C14 L2S A 130 -6.825 37.729 -1.508 1.00 0.00 C HETATM 0 H314 L2S A 130 -7.456 37.337 -0.710 1.00 0.00 H new HETATM 0 H214 L2S A 130 -5.777 37.608 -1.234 1.00 0.00 H new HETATM 0 H114 L2S A 130 -7.041 38.787 -1.655 1.00 0.00 H new HETATM 0 H113 L2S A 130 -8.177 37.560 -5.893 1.00 0.00 H new HETATM 0 H112 L2S A 130 -7.723 38.806 -3.765 1.00 0.00 H new HETATM 0 H9 L2S A 130 -6.961 33.853 -3.968 1.00 0.00 H new HETATM 0 H27 L2S A 130 -8.015 35.283 -8.768 1.00 0.00 H new HETATM 0 H25 L2S A 130 -7.123 32.662 -11.082 1.00 0.00 H new HETATM 0 H24 L2S A 130 -6.948 32.022 -8.101 1.00 0.00 H new HETATM 0 H23 L2S A 130 -3.780 34.046 -9.122 1.00 0.00 H new HETATM 0 H22 L2S A 130 -3.451 31.998 -10.569 1.00 0.00 H new HETATM 0 H21 L2S A 130 -5.470 30.829 -11.396 1.00 0.00 H new HETATM 0 H17 L2S A 130 -7.341 36.536 -7.744 1.00 0.00 H new HETATM 0 H15 L2S A 130 -7.660 31.199 -10.280 1.00 0.00 H new HETATM 0 H14 L2S A 130 -7.915 33.273 -8.857 1.00 0.00 H new HETATM 0 H13 L2S A 130 -4.130 32.547 -8.285 1.00 0.00 H new HETATM 0 H12 L2S A 130 -4.588 33.144 -11.249 1.00 0.00 H new HETATM 0 H11 L2S A 130 -5.317 30.639 -9.661 1.00 0.00 H new HETATM 0 H10 L2S A 130 -6.506 35.104 -1.842 1.00 0.00 H new