USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 7 SER OG : rot 176:sc= -0.251! USER MOD Set 1.2: B 11 TYR OH : rot 50:sc= 0.0984 USER MOD Set 2.1: A 27 MET CE :methyl -177:sc= -2.28! (180deg=-2.45!) USER MOD Set 2.2: A 58 THR OG1 : rot 68:sc= -0.0435 USER MOD Set 3.1: A 5 THR OG1 : rot -31:sc= 1.85 USER MOD Set 3.2: A 8 THR OG1 : rot 66:sc= -2.94! USER MOD Single : A 1 ILE N :NH3+ 151:sc= -0.769 (180deg=-1.78!) USER MOD Single : A 4 HIS : no HD1:sc= -15.9! C(o=-16!,f=-16!) USER MOD Single : A 6 THR OG1 : rot -75:sc= -3.65! USER MOD Single : A 9 SER OG : rot 180:sc= -1.36! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.4 F(o=-4.5!,f=-1.4) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.0513 (180deg=-0.637) USER MOD Single : A 34 SER OG : rot -20:sc= 0.247 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0729 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -8.71! C(o=-8.7!,f=-11!) USER MOD Single : A 68 HIS : no HD1:sc= -6.67! C(o=-6.7!,f=-7.4!) USER MOD Single : A 70 LYS NZ :NH3+ -115:sc= -2.36! (180deg=-5.3!) USER MOD Single : A 71 GLN :FLIP amide:sc= -2.48! C(o=-4.2!,f=-2.5!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -177:sc= -0.4 (180deg=-0.437) USER MOD Single : B 3 TYR OH : rot 180:sc= -2.77! USER MOD Single : B 4 TYR OH : rot 168:sc= -4.56! USER MOD Single : B 6 SER OG : rot 180:sc= -0.0262 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 66:sc= 0.824 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 7.159 16.050 -1.670 1.00 0.00 N ATOM 2 CA ILE A 1 5.997 15.251 -2.157 1.00 0.00 C ATOM 3 C ILE A 1 5.372 14.467 -1.000 1.00 0.00 C ATOM 4 O ILE A 1 5.983 14.271 0.032 1.00 0.00 O ATOM 5 CB ILE A 1 6.580 14.297 -3.198 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.863 13.666 -2.650 1.00 0.00 C ATOM 7 CG2 ILE A 1 6.900 15.070 -4.479 1.00 0.00 C ATOM 8 CD1 ILE A 1 8.128 12.341 -3.367 1.00 0.00 C ATOM 0 H1 ILE A 1 7.846 16.169 -2.442 1.00 0.00 H new ATOM 0 H2 ILE A 1 6.829 16.984 -1.353 1.00 0.00 H new ATOM 0 H3 ILE A 1 7.613 15.555 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 1 5.211 15.879 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 1 5.854 13.514 -3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 1 8.704 14.344 -2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.769 13.498 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.316 14.388 -5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 1 5.987 15.519 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.625 15.854 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 1 9.041 11.892 -2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 1 7.291 11.663 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.241 12.522 -4.436 1.00 0.00 H new ATOM 22 N VAL A 2 4.159 14.015 -1.165 1.00 0.00 N ATOM 23 CA VAL A 2 3.497 13.242 -0.075 1.00 0.00 C ATOM 24 C VAL A 2 3.231 11.809 -0.531 1.00 0.00 C ATOM 25 O VAL A 2 3.228 11.512 -1.709 1.00 0.00 O ATOM 26 CB VAL A 2 2.178 13.963 0.182 1.00 0.00 C ATOM 27 CG1 VAL A 2 1.589 13.494 1.510 1.00 0.00 C ATOM 28 CG2 VAL A 2 2.422 15.471 0.240 1.00 0.00 C ATOM 0 H VAL A 2 3.598 14.147 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 2 4.116 13.187 0.820 1.00 0.00 H new ATOM 0 HB VAL A 2 1.481 13.738 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.646 14.010 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.412 12.419 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.287 13.717 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.479 15.985 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.121 15.696 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.841 15.809 -0.708 1.00 0.00 H new ATOM 38 N CYS A 3 3.017 10.915 0.392 1.00 0.00 N ATOM 39 CA CYS A 3 2.762 9.499 0.007 1.00 0.00 C ATOM 40 C CYS A 3 1.508 8.976 0.697 1.00 0.00 C ATOM 41 O CYS A 3 1.181 9.384 1.790 1.00 0.00 O ATOM 42 CB CYS A 3 3.973 8.727 0.504 1.00 0.00 C ATOM 43 SG CYS A 3 5.484 9.685 0.223 1.00 0.00 S ATOM 0 H CYS A 3 3.007 11.102 1.395 1.00 0.00 H new ATOM 0 HA CYS A 3 2.612 9.396 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.864 8.510 1.567 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.040 7.769 -0.012 1.00 0.00 H new ATOM 48 N HIS A 4 0.822 8.054 0.083 1.00 0.00 N ATOM 49 CA HIS A 4 -0.405 7.494 0.720 1.00 0.00 C ATOM 50 C HIS A 4 -0.049 6.282 1.561 1.00 0.00 C ATOM 51 O HIS A 4 0.895 5.574 1.270 1.00 0.00 O ATOM 52 CB HIS A 4 -1.318 7.060 -0.409 1.00 0.00 C ATOM 53 CG HIS A 4 -1.345 8.096 -1.494 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.513 9.439 -1.217 1.00 0.00 N ATOM 55 CD2 HIS A 4 -1.244 8.004 -2.859 1.00 0.00 C ATOM 56 CE1 HIS A 4 -1.506 10.101 -2.388 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.345 9.272 -3.423 1.00 0.00 N ATOM 0 H HIS A 4 1.056 7.664 -0.830 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.879 8.234 1.364 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.975 6.109 -0.816 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.326 6.899 -0.027 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.107 7.087 -3.412 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -1.617 11.171 -2.480 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.305 9.516 -4.413 1.00 0.00 H new ATOM 65 N THR A 5 -0.795 6.013 2.590 1.00 0.00 N ATOM 66 CA THR A 5 -0.471 4.824 3.404 1.00 0.00 C ATOM 67 C THR A 5 -1.644 3.866 3.440 1.00 0.00 C ATOM 68 O THR A 5 -2.664 4.103 4.057 1.00 0.00 O ATOM 69 CB THR A 5 -0.152 5.307 4.809 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.294 5.139 5.634 1.00 0.00 O ATOM 71 CG2 THR A 5 0.287 6.776 4.810 1.00 0.00 C ATOM 0 H THR A 5 -1.602 6.557 2.897 1.00 0.00 H new ATOM 0 HA THR A 5 0.378 4.293 2.974 1.00 0.00 H new ATOM 0 HB THR A 5 0.676 4.714 5.198 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.105 5.232 5.092 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.507 7.089 5.831 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.180 6.889 4.195 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.514 7.395 4.405 1.00 0.00 H new ATOM 79 N THR A 6 -1.472 2.770 2.805 1.00 0.00 N ATOM 80 CA THR A 6 -2.521 1.722 2.804 1.00 0.00 C ATOM 81 C THR A 6 -2.232 0.766 3.958 1.00 0.00 C ATOM 82 O THR A 6 -3.064 -0.016 4.364 1.00 0.00 O ATOM 83 CB THR A 6 -2.372 1.001 1.462 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.110 1.315 0.895 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.482 1.446 0.512 1.00 0.00 C ATOM 0 H THR A 6 -0.635 2.539 2.271 1.00 0.00 H new ATOM 0 HA THR A 6 -3.529 2.118 2.926 1.00 0.00 H new ATOM 0 HB THR A 6 -2.444 -0.075 1.621 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.131 2.226 0.534 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.373 0.931 -0.442 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.452 1.203 0.946 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.415 2.522 0.353 1.00 0.00 H new ATOM 93 N ALA A 7 -1.029 0.812 4.466 1.00 0.00 N ATOM 94 CA ALA A 7 -0.644 -0.104 5.570 1.00 0.00 C ATOM 95 C ALA A 7 -0.878 0.523 6.950 1.00 0.00 C ATOM 96 O ALA A 7 -1.102 -0.174 7.920 1.00 0.00 O ATOM 97 CB ALA A 7 0.838 -0.384 5.325 1.00 0.00 C ATOM 0 H ALA A 7 -0.295 1.450 4.159 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.246 -1.013 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.214 -1.057 6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.964 -0.847 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.395 0.552 5.357 1.00 0.00 H new ATOM 103 N THR A 8 -0.831 1.820 7.058 1.00 0.00 N ATOM 104 CA THR A 8 -1.057 2.454 8.391 1.00 0.00 C ATOM 105 C THR A 8 -2.502 2.945 8.485 1.00 0.00 C ATOM 106 O THR A 8 -3.395 2.206 8.852 1.00 0.00 O ATOM 107 CB THR A 8 -0.078 3.629 8.451 1.00 0.00 C ATOM 108 OG1 THR A 8 0.163 4.110 7.136 1.00 0.00 O ATOM 109 CG2 THR A 8 1.239 3.169 9.077 1.00 0.00 C ATOM 0 H THR A 8 -0.648 2.466 6.290 1.00 0.00 H new ATOM 0 HA THR A 8 -0.896 1.761 9.217 1.00 0.00 H new ATOM 0 HB THR A 8 -0.506 4.427 9.058 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.663 4.489 6.770 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.934 4.007 9.119 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.053 2.801 10.086 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.669 2.370 8.473 1.00 0.00 H new ATOM 117 N SER A 9 -2.747 4.175 8.136 1.00 0.00 N ATOM 118 CA SER A 9 -4.140 4.695 8.183 1.00 0.00 C ATOM 119 C SER A 9 -4.951 4.003 7.080 1.00 0.00 C ATOM 120 O SER A 9 -4.493 3.027 6.520 1.00 0.00 O ATOM 121 CB SER A 9 -3.988 6.191 7.915 1.00 0.00 C ATOM 122 OG SER A 9 -4.747 6.920 8.871 1.00 0.00 O ATOM 0 H SER A 9 -2.044 4.843 7.820 1.00 0.00 H new ATOM 0 HA SER A 9 -4.656 4.513 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.938 6.477 7.973 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.328 6.428 6.907 1.00 0.00 H new ATOM 0 HG SER A 9 -4.650 7.880 8.702 1.00 0.00 H new ATOM 128 N PRO A 10 -6.119 4.512 6.780 1.00 0.00 N ATOM 129 CA PRO A 10 -6.934 3.886 5.713 1.00 0.00 C ATOM 130 C PRO A 10 -6.256 4.110 4.366 1.00 0.00 C ATOM 131 O PRO A 10 -5.830 3.188 3.698 1.00 0.00 O ATOM 132 CB PRO A 10 -8.272 4.615 5.805 1.00 0.00 C ATOM 133 CG PRO A 10 -7.967 5.921 6.461 1.00 0.00 C ATOM 134 CD PRO A 10 -6.784 5.687 7.367 1.00 0.00 C ATOM 0 HA PRO A 10 -7.056 2.808 5.819 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.707 4.764 4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.993 4.041 6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.739 6.684 5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.825 6.278 7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.121 6.552 7.390 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.098 5.498 8.394 1.00 0.00 H new ATOM 142 N ILE A 11 -6.138 5.339 3.991 1.00 0.00 N ATOM 143 CA ILE A 11 -5.477 5.700 2.724 1.00 0.00 C ATOM 144 C ILE A 11 -5.511 7.212 2.579 1.00 0.00 C ATOM 145 O ILE A 11 -6.545 7.821 2.387 1.00 0.00 O ATOM 146 CB ILE A 11 -6.255 4.967 1.639 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.279 3.975 0.989 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.815 5.946 0.589 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.578 3.796 -0.504 1.00 0.00 C ATOM 0 H ILE A 11 -6.484 6.134 4.528 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.427 5.412 2.669 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.113 4.451 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.257 4.331 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.347 3.011 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.364 5.390 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.485 6.656 1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.993 6.486 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.870 3.088 -0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.592 3.416 -0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.485 4.756 -1.011 1.00 0.00 H new ATOM 161 N SER A 12 -4.376 7.808 2.694 1.00 0.00 N ATOM 162 CA SER A 12 -4.284 9.285 2.593 1.00 0.00 C ATOM 163 C SER A 12 -2.825 9.665 2.421 1.00 0.00 C ATOM 164 O SER A 12 -1.940 8.966 2.879 1.00 0.00 O ATOM 165 CB SER A 12 -4.833 9.815 3.917 1.00 0.00 C ATOM 166 OG SER A 12 -4.062 9.289 4.989 1.00 0.00 O ATOM 0 H SER A 12 -3.488 7.333 2.857 1.00 0.00 H new ATOM 0 HA SER A 12 -4.839 9.695 1.749 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.798 10.904 3.929 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.879 9.529 4.031 1.00 0.00 H new ATOM 0 HG SER A 12 -4.410 9.628 5.840 1.00 0.00 H new ATOM 172 N ALA A 13 -2.559 10.745 1.750 1.00 0.00 N ATOM 173 CA ALA A 13 -1.147 11.136 1.531 1.00 0.00 C ATOM 174 C ALA A 13 -0.592 11.952 2.688 1.00 0.00 C ATOM 175 O ALA A 13 -0.836 13.137 2.796 1.00 0.00 O ATOM 176 CB ALA A 13 -1.154 11.986 0.276 1.00 0.00 C ATOM 0 H ALA A 13 -3.255 11.371 1.346 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.517 10.251 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.138 12.312 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.539 11.400 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.789 12.858 0.431 1.00 0.00 H new ATOM 182 N VAL A 14 0.192 11.348 3.527 1.00 0.00 N ATOM 183 CA VAL A 14 0.798 12.124 4.632 1.00 0.00 C ATOM 184 C VAL A 14 2.251 12.402 4.275 1.00 0.00 C ATOM 185 O VAL A 14 2.924 11.595 3.659 1.00 0.00 O ATOM 186 CB VAL A 14 0.695 11.273 5.910 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.535 10.378 5.838 1.00 0.00 C ATOM 188 CG2 VAL A 14 1.953 10.411 6.080 1.00 0.00 C ATOM 0 H VAL A 14 0.438 10.359 3.496 1.00 0.00 H new ATOM 0 HA VAL A 14 0.290 13.075 4.792 1.00 0.00 H new ATOM 0 HB VAL A 14 0.607 11.940 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.602 9.778 6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.429 10.995 5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.456 9.720 4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.865 9.815 6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.060 9.749 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.829 11.056 6.152 1.00 0.00 H new ATOM 198 N THR A 15 2.727 13.532 4.652 1.00 0.00 N ATOM 199 CA THR A 15 4.139 13.883 4.348 1.00 0.00 C ATOM 200 C THR A 15 5.088 12.907 5.053 1.00 0.00 C ATOM 201 O THR A 15 4.856 12.504 6.175 1.00 0.00 O ATOM 202 CB THR A 15 4.315 15.285 4.909 1.00 0.00 C ATOM 203 OG1 THR A 15 3.172 16.068 4.592 1.00 0.00 O ATOM 204 CG2 THR A 15 5.561 15.920 4.297 1.00 0.00 C ATOM 0 H THR A 15 2.203 14.243 5.163 1.00 0.00 H new ATOM 0 HA THR A 15 4.361 13.832 3.282 1.00 0.00 H new ATOM 0 HB THR A 15 4.428 15.236 5.992 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.284 16.972 4.955 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.691 16.926 4.697 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.435 15.316 4.542 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.448 15.972 3.214 1.00 0.00 H new ATOM 212 N CYS A 16 6.156 12.526 4.405 1.00 0.00 N ATOM 213 CA CYS A 16 7.117 11.580 5.040 1.00 0.00 C ATOM 214 C CYS A 16 8.555 12.059 4.808 1.00 0.00 C ATOM 215 O CYS A 16 9.341 11.383 4.180 1.00 0.00 O ATOM 216 CB CYS A 16 6.877 10.251 4.326 1.00 0.00 C ATOM 217 SG CYS A 16 5.682 9.258 5.258 1.00 0.00 S ATOM 0 H CYS A 16 6.404 12.829 3.463 1.00 0.00 H new ATOM 0 HA CYS A 16 6.977 11.500 6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.505 10.432 3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.816 9.707 4.226 1.00 0.00 H new ATOM 222 N PRO A 17 8.849 13.223 5.318 1.00 0.00 N ATOM 223 CA PRO A 17 10.202 13.805 5.152 1.00 0.00 C ATOM 224 C PRO A 17 11.275 13.122 6.031 1.00 0.00 C ATOM 225 O PRO A 17 12.431 13.119 5.660 1.00 0.00 O ATOM 226 CB PRO A 17 10.013 15.267 5.551 1.00 0.00 C ATOM 227 CG PRO A 17 8.816 15.287 6.448 1.00 0.00 C ATOM 228 CD PRO A 17 7.956 14.099 6.085 1.00 0.00 C ATOM 0 HA PRO A 17 10.572 13.672 4.135 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.895 15.650 6.065 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.857 15.896 4.674 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.120 15.235 7.494 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.259 16.216 6.323 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.575 13.597 6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.091 14.400 5.494 1.00 0.00 H new ATOM 236 N PRO A 18 10.896 12.577 7.170 1.00 0.00 N ATOM 237 CA PRO A 18 11.907 11.931 8.047 1.00 0.00 C ATOM 238 C PRO A 18 12.349 10.570 7.494 1.00 0.00 C ATOM 239 O PRO A 18 11.656 9.580 7.621 1.00 0.00 O ATOM 240 CB PRO A 18 11.178 11.761 9.375 1.00 0.00 C ATOM 241 CG PRO A 18 9.726 11.721 9.025 1.00 0.00 C ATOM 242 CD PRO A 18 9.546 12.503 7.749 1.00 0.00 C ATOM 0 HA PRO A 18 12.819 12.522 8.130 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.487 10.845 9.879 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.397 12.586 10.052 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.391 10.692 8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.126 12.152 9.827 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.851 12.005 7.073 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.143 13.497 7.946 1.00 0.00 H new ATOM 250 N GLY A 19 13.513 10.513 6.901 1.00 0.00 N ATOM 251 CA GLY A 19 14.023 9.218 6.361 1.00 0.00 C ATOM 252 C GLY A 19 13.590 9.034 4.912 1.00 0.00 C ATOM 253 O GLY A 19 14.411 8.891 4.031 1.00 0.00 O ATOM 0 H GLY A 19 14.134 11.311 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.111 9.193 6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.648 8.392 6.966 1.00 0.00 H new ATOM 257 N GLU A 20 12.313 9.011 4.653 1.00 0.00 N ATOM 258 CA GLU A 20 11.854 8.812 3.263 1.00 0.00 C ATOM 259 C GLU A 20 12.210 10.015 2.398 1.00 0.00 C ATOM 260 O GLU A 20 12.071 11.155 2.794 1.00 0.00 O ATOM 261 CB GLU A 20 10.336 8.676 3.365 1.00 0.00 C ATOM 262 CG GLU A 20 9.718 8.921 1.988 1.00 0.00 C ATOM 263 CD GLU A 20 9.360 10.400 1.825 1.00 0.00 C ATOM 264 OE1 GLU A 20 8.262 10.767 2.211 1.00 0.00 O ATOM 265 OE2 GLU A 20 10.184 11.138 1.311 1.00 0.00 O ATOM 0 H GLU A 20 11.573 9.122 5.346 1.00 0.00 H new ATOM 0 HA GLU A 20 12.323 7.941 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.071 7.682 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.942 9.392 4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.418 8.621 1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.825 8.308 1.868 1.00 0.00 H new ATOM 272 N ASN A 21 12.634 9.752 1.203 1.00 0.00 N ATOM 273 CA ASN A 21 12.972 10.837 0.262 1.00 0.00 C ATOM 274 C ASN A 21 11.916 10.830 -0.847 1.00 0.00 C ATOM 275 O ASN A 21 11.738 11.790 -1.570 1.00 0.00 O ATOM 276 CB ASN A 21 14.359 10.464 -0.257 1.00 0.00 C ATOM 277 CG ASN A 21 15.378 10.627 0.876 1.00 0.00 C ATOM 278 OD1 ASN A 21 15.278 9.874 1.939 1.00 0.00 O flip ATOM 279 ND2 ASN A 21 16.271 11.446 0.793 1.00 0.00 N flip ATOM 0 H ASN A 21 12.763 8.810 0.833 1.00 0.00 H new ATOM 0 HA ASN A 21 12.983 11.837 0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.361 9.436 -0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.629 11.100 -1.100 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.349 12.034 -0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.943 11.546 1.553 1.00 0.00 H new ATOM 286 N LEU A 22 11.194 9.741 -0.949 1.00 0.00 N ATOM 287 CA LEU A 22 10.111 9.622 -1.960 1.00 0.00 C ATOM 288 C LEU A 22 9.066 8.636 -1.444 1.00 0.00 C ATOM 289 O LEU A 22 9.187 8.103 -0.364 1.00 0.00 O ATOM 290 CB LEU A 22 10.774 9.073 -3.218 1.00 0.00 C ATOM 291 CG LEU A 22 11.289 7.655 -2.965 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.512 6.664 -3.838 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.771 7.594 -3.331 1.00 0.00 C ATOM 0 H LEU A 22 11.316 8.917 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 22 9.619 10.574 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.060 9.067 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.599 9.720 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 22 11.153 7.396 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.880 5.654 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.452 6.714 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.651 6.918 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.148 6.587 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.897 7.849 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.327 8.303 -2.717 1.00 0.00 H new ATOM 305 N CYS A 23 8.050 8.376 -2.202 1.00 0.00 N ATOM 306 CA CYS A 23 7.016 7.416 -1.740 1.00 0.00 C ATOM 307 C CYS A 23 7.270 6.059 -2.376 1.00 0.00 C ATOM 308 O CYS A 23 8.256 5.857 -3.050 1.00 0.00 O ATOM 309 CB CYS A 23 5.705 7.993 -2.238 1.00 0.00 C ATOM 310 SG CYS A 23 5.615 9.741 -1.787 1.00 0.00 S ATOM 0 H CYS A 23 7.887 8.785 -3.122 1.00 0.00 H new ATOM 0 HA CYS A 23 7.017 7.279 -0.659 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.632 7.880 -3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.866 7.449 -1.803 1.00 0.00 H new ATOM 315 N TYR A 24 6.395 5.124 -2.186 1.00 0.00 N ATOM 316 CA TYR A 24 6.632 3.803 -2.801 1.00 0.00 C ATOM 317 C TYR A 24 5.359 2.979 -2.856 1.00 0.00 C ATOM 318 O TYR A 24 4.334 3.354 -2.340 1.00 0.00 O ATOM 319 CB TYR A 24 7.664 3.123 -1.905 1.00 0.00 C ATOM 320 CG TYR A 24 6.994 2.655 -0.640 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.286 1.452 -0.636 1.00 0.00 C ATOM 322 CD2 TYR A 24 7.078 3.423 0.521 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.659 1.014 0.536 1.00 0.00 C ATOM 324 CE2 TYR A 24 6.451 2.987 1.696 1.00 0.00 C ATOM 325 CZ TYR A 24 5.742 1.782 1.703 1.00 0.00 C ATOM 326 OH TYR A 24 5.125 1.351 2.859 1.00 0.00 O ATOM 0 H TYR A 24 5.538 5.215 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 24 6.976 3.903 -3.830 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.114 2.278 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.470 3.817 -1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.222 0.860 -1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.626 4.354 0.515 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.111 0.083 0.540 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.515 3.581 2.595 1.00 0.00 H new ATOM 0 HH TYR A 24 5.282 2.001 3.575 1.00 0.00 H new ATOM 336 N ARG A 25 5.439 1.847 -3.474 1.00 0.00 N ATOM 337 CA ARG A 25 4.246 0.961 -3.564 1.00 0.00 C ATOM 338 C ARG A 25 4.659 -0.477 -3.238 1.00 0.00 C ATOM 339 O ARG A 25 5.418 -1.085 -3.963 1.00 0.00 O ATOM 340 CB ARG A 25 3.778 1.068 -5.016 1.00 0.00 C ATOM 341 CG ARG A 25 3.511 2.535 -5.363 1.00 0.00 C ATOM 342 CD ARG A 25 4.619 3.056 -6.283 1.00 0.00 C ATOM 343 NE ARG A 25 4.386 2.387 -7.595 1.00 0.00 N ATOM 344 CZ ARG A 25 3.198 2.398 -8.136 1.00 0.00 C ATOM 345 NH1 ARG A 25 2.804 3.434 -8.826 1.00 0.00 N ATOM 346 NH2 ARG A 25 2.404 1.373 -7.988 1.00 0.00 N ATOM 0 H ARG A 25 6.281 1.489 -3.925 1.00 0.00 H new ATOM 0 HA ARG A 25 3.457 1.244 -2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.536 0.658 -5.684 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.872 0.479 -5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.542 2.633 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.470 3.133 -4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.572 4.141 -6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.605 2.814 -5.887 1.00 0.00 H new ATOM 0 HE ARG A 25 5.157 1.919 -8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.425 4.235 -8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.876 3.442 -9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.712 0.563 -7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.476 1.382 -8.411 1.00 0.00 H new ATOM 360 N LYS A 26 4.174 -1.041 -2.162 1.00 0.00 N ATOM 361 CA LYS A 26 4.573 -2.434 -1.840 1.00 0.00 C ATOM 362 C LYS A 26 3.467 -3.394 -2.223 1.00 0.00 C ATOM 363 O LYS A 26 2.320 -3.024 -2.382 1.00 0.00 O ATOM 364 CB LYS A 26 4.801 -2.485 -0.328 1.00 0.00 C ATOM 365 CG LYS A 26 6.284 -2.727 -0.047 1.00 0.00 C ATOM 366 CD LYS A 26 6.688 -2.002 1.239 1.00 0.00 C ATOM 367 CE LYS A 26 7.873 -1.076 0.953 1.00 0.00 C ATOM 368 NZ LYS A 26 8.970 -1.574 1.827 1.00 0.00 N ATOM 0 H LYS A 26 3.529 -0.602 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 26 5.471 -2.720 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.480 -1.550 0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.201 -3.280 0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.476 -3.795 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.886 -2.369 -0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.847 -1.425 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.956 -2.726 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.158 -1.113 -0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.627 -0.039 1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.705 -0.843 1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.590 -1.794 2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.382 -2.434 1.411 1.00 0.00 H new ATOM 382 N MET A 27 3.809 -4.628 -2.357 1.00 0.00 N ATOM 383 CA MET A 27 2.807 -5.645 -2.714 1.00 0.00 C ATOM 384 C MET A 27 3.307 -6.989 -2.243 1.00 0.00 C ATOM 385 O MET A 27 4.491 -7.261 -2.249 1.00 0.00 O ATOM 386 CB MET A 27 2.699 -5.587 -4.235 1.00 0.00 C ATOM 387 CG MET A 27 1.436 -4.821 -4.637 1.00 0.00 C ATOM 388 SD MET A 27 1.744 -3.911 -6.171 1.00 0.00 S ATOM 389 CE MET A 27 3.047 -2.827 -5.538 1.00 0.00 C ATOM 0 H MET A 27 4.757 -4.983 -2.232 1.00 0.00 H new ATOM 0 HA MET A 27 1.832 -5.478 -2.256 1.00 0.00 H new ATOM 0 HB2 MET A 27 3.580 -5.099 -4.653 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.669 -6.596 -4.645 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.606 -5.514 -4.773 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.149 -4.131 -3.844 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.353 -2.131 -6.319 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.671 -2.268 -4.681 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.903 -3.428 -5.231 1.00 0.00 H new ATOM 399 N TRP A 28 2.430 -7.819 -1.790 1.00 0.00 N ATOM 400 CA TRP A 28 2.894 -9.118 -1.273 1.00 0.00 C ATOM 401 C TRP A 28 1.729 -10.104 -1.119 1.00 0.00 C ATOM 402 O TRP A 28 1.291 -10.718 -2.072 1.00 0.00 O ATOM 403 CB TRP A 28 3.516 -8.763 0.084 1.00 0.00 C ATOM 404 CG TRP A 28 2.811 -7.607 0.765 1.00 0.00 C ATOM 405 CD1 TRP A 28 1.470 -7.496 0.983 1.00 0.00 C ATOM 406 CD2 TRP A 28 3.405 -6.405 1.342 1.00 0.00 C ATOM 407 NE1 TRP A 28 1.222 -6.322 1.676 1.00 0.00 N ATOM 408 CE2 TRP A 28 2.379 -5.616 1.912 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.724 -5.933 1.429 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.653 -4.407 2.548 1.00 0.00 C ATOM 411 CZ3 TRP A 28 5.005 -4.712 2.064 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.971 -3.952 2.625 1.00 0.00 C ATOM 0 H TRP A 28 1.423 -7.659 -1.755 1.00 0.00 H new ATOM 0 HA TRP A 28 3.599 -9.614 -1.941 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.483 -9.637 0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.567 -8.510 -0.057 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.722 -8.208 0.667 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.295 -6.018 1.975 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.530 -6.513 1.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.851 -3.826 2.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.024 -4.357 2.120 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.193 -3.016 3.116 1.00 0.00 H new ATOM 423 N CYS A 29 1.231 -10.257 0.067 1.00 0.00 N ATOM 424 CA CYS A 29 0.094 -11.187 0.299 1.00 0.00 C ATOM 425 C CYS A 29 -0.731 -10.668 1.474 1.00 0.00 C ATOM 426 O CYS A 29 -0.621 -9.520 1.856 1.00 0.00 O ATOM 427 CB CYS A 29 0.742 -12.523 0.645 1.00 0.00 C ATOM 428 SG CYS A 29 0.530 -13.680 -0.729 1.00 0.00 S ATOM 0 H CYS A 29 1.565 -9.772 0.900 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.570 -11.278 -0.561 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.803 -12.380 0.852 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.293 -12.932 1.550 1.00 0.00 H new ATOM 433 N ASP A 30 -1.551 -11.490 2.056 1.00 0.00 N ATOM 434 CA ASP A 30 -2.366 -11.017 3.208 1.00 0.00 C ATOM 435 C ASP A 30 -2.666 -12.177 4.163 1.00 0.00 C ATOM 436 O ASP A 30 -1.818 -13.004 4.434 1.00 0.00 O ATOM 437 CB ASP A 30 -3.651 -10.482 2.581 1.00 0.00 C ATOM 438 CG ASP A 30 -4.380 -11.618 1.861 1.00 0.00 C ATOM 439 OD1 ASP A 30 -3.837 -12.125 0.893 1.00 0.00 O ATOM 440 OD2 ASP A 30 -5.469 -11.962 2.290 1.00 0.00 O ATOM 0 H ASP A 30 -1.694 -12.464 1.788 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.852 -10.257 3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.293 -10.054 3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.419 -9.682 1.878 1.00 0.00 H new ATOM 445 N ALA A 31 -3.864 -12.243 4.679 1.00 0.00 N ATOM 446 CA ALA A 31 -4.213 -13.347 5.618 1.00 0.00 C ATOM 447 C ALA A 31 -4.525 -14.631 4.842 1.00 0.00 C ATOM 448 O ALA A 31 -4.647 -15.696 5.413 1.00 0.00 O ATOM 449 CB ALA A 31 -5.454 -12.856 6.363 1.00 0.00 C ATOM 0 H ALA A 31 -4.616 -11.580 4.491 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.394 -13.582 6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.775 -13.616 7.076 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.218 -11.935 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.256 -12.667 5.649 1.00 0.00 H new ATOM 455 N PHE A 32 -4.652 -14.541 3.546 1.00 0.00 N ATOM 456 CA PHE A 32 -4.953 -15.759 2.743 1.00 0.00 C ATOM 457 C PHE A 32 -3.815 -16.027 1.757 1.00 0.00 C ATOM 458 O PHE A 32 -3.509 -17.160 1.440 1.00 0.00 O ATOM 459 CB PHE A 32 -6.246 -15.432 1.995 1.00 0.00 C ATOM 460 CG PHE A 32 -7.420 -16.042 2.722 1.00 0.00 C ATOM 461 CD1 PHE A 32 -7.407 -17.402 3.057 1.00 0.00 C ATOM 462 CD2 PHE A 32 -8.522 -15.249 3.061 1.00 0.00 C ATOM 463 CE1 PHE A 32 -8.497 -17.968 3.730 1.00 0.00 C ATOM 464 CE2 PHE A 32 -9.612 -15.814 3.734 1.00 0.00 C ATOM 465 CZ PHE A 32 -9.599 -17.173 4.069 1.00 0.00 C ATOM 0 H PHE A 32 -4.560 -13.678 3.010 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.058 -16.650 3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.372 -14.352 1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.196 -15.817 0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.556 -18.014 2.796 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.532 -14.200 2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.488 -19.017 3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.463 -15.202 3.995 1.00 0.00 H new ATOM 0 HZ PHE A 32 -10.439 -17.609 4.589 1.00 0.00 H new ATOM 475 N CYS A 33 -3.189 -14.989 1.270 1.00 0.00 N ATOM 476 CA CYS A 33 -2.071 -15.175 0.301 1.00 0.00 C ATOM 477 C CYS A 33 -2.422 -16.276 -0.700 1.00 0.00 C ATOM 478 O CYS A 33 -1.919 -17.379 -0.624 1.00 0.00 O ATOM 479 CB CYS A 33 -0.869 -15.587 1.150 1.00 0.00 C ATOM 480 SG CYS A 33 0.633 -15.498 0.145 1.00 0.00 S ATOM 0 H CYS A 33 -3.404 -14.019 1.502 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.870 -14.271 -0.274 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.780 -14.932 2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.007 -16.600 1.529 1.00 0.00 H new ATOM 485 N SER A 34 -3.286 -15.989 -1.633 1.00 0.00 N ATOM 486 CA SER A 34 -3.665 -17.035 -2.628 1.00 0.00 C ATOM 487 C SER A 34 -4.320 -16.403 -3.869 1.00 0.00 C ATOM 488 O SER A 34 -3.751 -15.537 -4.503 1.00 0.00 O ATOM 489 CB SER A 34 -4.645 -17.942 -1.883 1.00 0.00 C ATOM 490 OG SER A 34 -3.963 -18.592 -0.817 1.00 0.00 O ATOM 0 H SER A 34 -3.743 -15.085 -1.751 1.00 0.00 H new ATOM 0 HA SER A 34 -2.800 -17.586 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.478 -17.356 -1.494 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.066 -18.681 -2.565 1.00 0.00 H new ATOM 0 HG SER A 34 -2.998 -18.576 -0.988 1.00 0.00 H new ATOM 496 N SER A 35 -5.500 -16.839 -4.233 1.00 0.00 N ATOM 497 CA SER A 35 -6.168 -16.272 -5.442 1.00 0.00 C ATOM 498 C SER A 35 -6.629 -14.833 -5.192 1.00 0.00 C ATOM 499 O SER A 35 -7.147 -14.179 -6.075 1.00 0.00 O ATOM 500 CB SER A 35 -7.370 -17.181 -5.691 1.00 0.00 C ATOM 501 OG SER A 35 -8.430 -16.806 -4.822 1.00 0.00 O ATOM 0 H SER A 35 -6.028 -17.562 -3.745 1.00 0.00 H new ATOM 0 HA SER A 35 -5.492 -16.235 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.691 -17.103 -6.730 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.095 -18.222 -5.520 1.00 0.00 H new ATOM 0 HG SER A 35 -9.204 -17.386 -4.980 1.00 0.00 H new ATOM 507 N ARG A 36 -6.447 -14.330 -4.003 1.00 0.00 N ATOM 508 CA ARG A 36 -6.879 -12.931 -3.719 1.00 0.00 C ATOM 509 C ARG A 36 -5.766 -11.949 -4.092 1.00 0.00 C ATOM 510 O ARG A 36 -5.715 -10.840 -3.597 1.00 0.00 O ATOM 511 CB ARG A 36 -7.144 -12.891 -2.213 1.00 0.00 C ATOM 512 CG ARG A 36 -8.650 -12.987 -1.956 1.00 0.00 C ATOM 513 CD ARG A 36 -9.218 -11.586 -1.717 1.00 0.00 C ATOM 514 NE ARG A 36 -10.691 -11.737 -1.869 1.00 0.00 N ATOM 515 CZ ARG A 36 -11.480 -11.495 -0.858 1.00 0.00 C ATOM 516 NH1 ARG A 36 -11.868 -10.274 -0.610 1.00 0.00 N ATOM 517 NH2 ARG A 36 -11.882 -12.475 -0.094 1.00 0.00 N ATOM 0 H ARG A 36 -6.020 -14.823 -3.219 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.761 -12.649 -4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.627 -13.715 -1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.750 -11.968 -1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.146 -13.451 -2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.842 -13.621 -1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.959 -11.219 -0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.818 -10.870 -2.435 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.084 -12.030 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.555 -9.508 -1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.485 -10.085 0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.579 -13.430 -0.287 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.499 -12.286 0.696 1.00 0.00 H new ATOM 531 N GLY A 37 -4.871 -12.347 -4.957 1.00 0.00 N ATOM 532 CA GLY A 37 -3.762 -11.434 -5.350 1.00 0.00 C ATOM 533 C GLY A 37 -3.126 -10.854 -4.089 1.00 0.00 C ATOM 534 O GLY A 37 -3.500 -11.196 -2.984 1.00 0.00 O ATOM 0 H GLY A 37 -4.861 -13.263 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.017 -11.976 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.141 -10.632 -5.984 1.00 0.00 H new ATOM 538 N LYS A 38 -2.178 -9.970 -4.231 1.00 0.00 N ATOM 539 CA LYS A 38 -1.551 -9.373 -3.030 1.00 0.00 C ATOM 540 C LYS A 38 -2.298 -8.098 -2.665 1.00 0.00 C ATOM 541 O LYS A 38 -2.996 -7.527 -3.480 1.00 0.00 O ATOM 542 CB LYS A 38 -0.112 -9.056 -3.443 1.00 0.00 C ATOM 543 CG LYS A 38 -0.066 -7.790 -4.293 1.00 0.00 C ATOM 544 CD LYS A 38 0.718 -8.062 -5.579 1.00 0.00 C ATOM 545 CE LYS A 38 -0.190 -8.763 -6.593 1.00 0.00 C ATOM 546 NZ LYS A 38 0.594 -8.786 -7.859 1.00 0.00 N ATOM 0 H LYS A 38 -1.815 -9.639 -5.125 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.578 -10.034 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.507 -8.928 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.304 -9.893 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.078 -7.465 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.404 -6.981 -3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.091 -7.126 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.587 -8.683 -5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.442 -9.772 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.129 -8.225 -6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.037 -9.252 -8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.814 -7.812 -8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.480 -9.311 -7.709 1.00 0.00 H new ATOM 560 N VAL A 39 -2.145 -7.622 -1.472 1.00 0.00 N ATOM 561 CA VAL A 39 -2.841 -6.359 -1.115 1.00 0.00 C ATOM 562 C VAL A 39 -2.179 -5.224 -1.900 1.00 0.00 C ATOM 563 O VAL A 39 -1.682 -5.418 -2.991 1.00 0.00 O ATOM 564 CB VAL A 39 -2.625 -6.164 0.396 1.00 0.00 C ATOM 565 CG1 VAL A 39 -3.734 -5.277 0.965 1.00 0.00 C ATOM 566 CG2 VAL A 39 -2.654 -7.513 1.122 1.00 0.00 C ATOM 0 H VAL A 39 -1.578 -8.041 -0.735 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.905 -6.378 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.653 -5.694 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.578 -5.141 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.714 -4.307 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.701 -5.751 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.500 -7.355 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.620 -7.992 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.863 -8.153 0.732 1.00 0.00 H new ATOM 576 N VAL A 40 -2.128 -4.064 -1.332 1.00 0.00 N ATOM 577 CA VAL A 40 -1.459 -2.917 -1.992 1.00 0.00 C ATOM 578 C VAL A 40 -1.100 -1.954 -0.890 1.00 0.00 C ATOM 579 O VAL A 40 -1.942 -1.270 -0.342 1.00 0.00 O ATOM 580 CB VAL A 40 -2.455 -2.294 -2.958 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.871 -0.980 -3.462 1.00 0.00 C ATOM 582 CG2 VAL A 40 -2.670 -3.234 -4.145 1.00 0.00 C ATOM 0 H VAL A 40 -2.530 -3.854 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.566 -3.200 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.408 -2.122 -2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.569 -0.515 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.699 -0.311 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.927 -1.173 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.384 -2.788 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.721 -3.397 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.058 -4.188 -3.788 1.00 0.00 H new ATOM 592 N GLU A 41 0.125 -1.956 -0.501 1.00 0.00 N ATOM 593 CA GLU A 41 0.513 -1.105 0.638 1.00 0.00 C ATOM 594 C GLU A 41 1.610 -0.102 0.270 1.00 0.00 C ATOM 595 O GLU A 41 2.771 -0.293 0.574 1.00 0.00 O ATOM 596 CB GLU A 41 0.997 -2.116 1.670 1.00 0.00 C ATOM 597 CG GLU A 41 -0.017 -3.263 1.773 1.00 0.00 C ATOM 598 CD GLU A 41 -0.444 -3.438 3.232 1.00 0.00 C ATOM 599 OE1 GLU A 41 -0.948 -2.483 3.800 1.00 0.00 O ATOM 600 OE2 GLU A 41 -0.259 -4.524 3.756 1.00 0.00 O ATOM 0 H GLU A 41 0.876 -2.507 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.307 -0.482 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.975 -2.504 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.117 -1.633 2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.887 -3.050 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.424 -4.187 1.399 1.00 0.00 H new ATOM 607 N LEU A 42 1.241 0.980 -0.361 1.00 0.00 N ATOM 608 CA LEU A 42 2.246 2.018 -0.727 1.00 0.00 C ATOM 609 C LEU A 42 2.594 2.843 0.515 1.00 0.00 C ATOM 610 O LEU A 42 2.128 2.563 1.601 1.00 0.00 O ATOM 611 CB LEU A 42 1.554 2.904 -1.770 1.00 0.00 C ATOM 612 CG LEU A 42 0.681 2.056 -2.695 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.790 2.339 -2.399 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.983 2.425 -4.147 1.00 0.00 C ATOM 0 H LEU A 42 0.283 1.190 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 42 3.169 1.586 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.942 3.655 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.302 3.440 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 42 0.891 0.999 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.416 1.736 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.007 2.088 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.998 3.395 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.363 1.823 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.767 3.481 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.035 2.234 -4.360 1.00 0.00 H new ATOM 626 N GLY A 43 3.398 3.862 0.372 1.00 0.00 N ATOM 627 CA GLY A 43 3.743 4.691 1.570 1.00 0.00 C ATOM 628 C GLY A 43 5.014 5.507 1.315 1.00 0.00 C ATOM 629 O GLY A 43 5.225 6.021 0.236 1.00 0.00 O ATOM 0 H GLY A 43 3.826 4.156 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.916 5.361 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.887 4.045 2.436 1.00 0.00 H new ATOM 633 N CYS A 44 5.854 5.650 2.308 1.00 0.00 N ATOM 634 CA CYS A 44 7.100 6.450 2.122 1.00 0.00 C ATOM 635 C CYS A 44 8.343 5.572 2.314 1.00 0.00 C ATOM 636 O CYS A 44 8.305 4.558 2.982 1.00 0.00 O ATOM 637 CB CYS A 44 7.085 7.571 3.184 1.00 0.00 C ATOM 638 SG CYS A 44 5.614 7.509 4.249 1.00 0.00 S ATOM 0 H CYS A 44 5.731 5.248 3.237 1.00 0.00 H new ATOM 0 HA CYS A 44 7.137 6.862 1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.979 7.492 3.802 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.127 8.539 2.685 1.00 0.00 H new ATOM 643 N ALA A 45 9.449 5.961 1.735 1.00 0.00 N ATOM 644 CA ALA A 45 10.693 5.170 1.876 1.00 0.00 C ATOM 645 C ALA A 45 11.876 5.998 1.372 1.00 0.00 C ATOM 646 O ALA A 45 11.720 6.875 0.543 1.00 0.00 O ATOM 647 CB ALA A 45 10.486 3.931 1.004 1.00 0.00 C ATOM 0 H ALA A 45 9.538 6.803 1.166 1.00 0.00 H new ATOM 0 HA ALA A 45 10.903 4.894 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.370 3.296 1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.618 3.376 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.322 4.237 -0.029 1.00 0.00 H new ATOM 653 N ALA A 46 13.053 5.742 1.866 1.00 0.00 N ATOM 654 CA ALA A 46 14.227 6.534 1.408 1.00 0.00 C ATOM 655 C ALA A 46 14.709 6.027 0.047 1.00 0.00 C ATOM 656 O ALA A 46 15.320 6.749 -0.716 1.00 0.00 O ATOM 657 CB ALA A 46 15.299 6.315 2.475 1.00 0.00 C ATOM 0 H ALA A 46 13.253 5.024 2.562 1.00 0.00 H new ATOM 0 HA ALA A 46 13.988 7.590 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.198 6.869 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.930 6.666 3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.534 5.253 2.542 1.00 0.00 H new ATOM 663 N THR A 47 14.439 4.789 -0.264 1.00 0.00 N ATOM 664 CA THR A 47 14.881 4.236 -1.575 1.00 0.00 C ATOM 665 C THR A 47 14.101 2.961 -1.897 1.00 0.00 C ATOM 666 O THR A 47 13.978 2.076 -1.074 1.00 0.00 O ATOM 667 CB THR A 47 16.367 3.921 -1.392 1.00 0.00 C ATOM 668 OG1 THR A 47 16.608 3.554 -0.041 1.00 0.00 O ATOM 669 CG2 THR A 47 17.201 5.152 -1.746 1.00 0.00 C ATOM 0 H THR A 47 13.931 4.136 0.333 1.00 0.00 H new ATOM 0 HA THR A 47 14.710 4.932 -2.396 1.00 0.00 H new ATOM 0 HB THR A 47 16.647 3.097 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.559 3.350 0.078 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.259 4.925 -1.615 1.00 0.00 H new ATOM 0 HG22 THR A 47 17.016 5.431 -2.783 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.924 5.979 -1.093 1.00 0.00 H new ATOM 677 N CYS A 48 13.574 2.862 -3.088 1.00 0.00 N ATOM 678 CA CYS A 48 12.800 1.644 -3.470 1.00 0.00 C ATOM 679 C CYS A 48 13.475 0.387 -2.914 1.00 0.00 C ATOM 680 O CYS A 48 14.429 -0.107 -3.482 1.00 0.00 O ATOM 681 CB CYS A 48 12.828 1.627 -4.998 1.00 0.00 C ATOM 682 SG CYS A 48 11.196 2.068 -5.642 1.00 0.00 S ATOM 0 H CYS A 48 13.646 3.574 -3.815 1.00 0.00 H new ATOM 0 HA CYS A 48 11.784 1.661 -3.074 1.00 0.00 H new ATOM 0 HB2 CYS A 48 13.577 2.329 -5.366 1.00 0.00 H new ATOM 0 HB3 CYS A 48 13.116 0.638 -5.355 1.00 0.00 H new ATOM 687 N PRO A 49 12.954 -0.089 -1.816 1.00 0.00 N ATOM 688 CA PRO A 49 13.514 -1.299 -1.175 1.00 0.00 C ATOM 689 C PRO A 49 13.084 -2.551 -1.942 1.00 0.00 C ATOM 690 O PRO A 49 11.917 -2.878 -2.014 1.00 0.00 O ATOM 691 CB PRO A 49 12.910 -1.279 0.223 1.00 0.00 C ATOM 692 CG PRO A 49 11.645 -0.486 0.097 1.00 0.00 C ATOM 693 CD PRO A 49 11.806 0.449 -1.077 1.00 0.00 C ATOM 0 HA PRO A 49 14.604 -1.312 -1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.707 -2.289 0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.592 -0.820 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.792 -1.148 -0.055 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.453 0.077 1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.909 0.469 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.989 1.472 -0.748 1.00 0.00 H new ATOM 701 N SER A 50 14.021 -3.252 -2.514 1.00 0.00 N ATOM 702 CA SER A 50 13.669 -4.483 -3.278 1.00 0.00 C ATOM 703 C SER A 50 13.721 -5.703 -2.359 1.00 0.00 C ATOM 704 O SER A 50 14.426 -5.718 -1.369 1.00 0.00 O ATOM 705 CB SER A 50 14.730 -4.592 -4.372 1.00 0.00 C ATOM 706 OG SER A 50 14.441 -5.714 -5.195 1.00 0.00 O ATOM 0 H SER A 50 15.016 -3.027 -2.486 1.00 0.00 H new ATOM 0 HA SER A 50 12.662 -4.437 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.746 -3.681 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.719 -4.698 -3.926 1.00 0.00 H new ATOM 0 HG SER A 50 15.119 -5.786 -5.899 1.00 0.00 H new ATOM 712 N LYS A 51 12.982 -6.728 -2.678 1.00 0.00 N ATOM 713 CA LYS A 51 12.992 -7.945 -1.820 1.00 0.00 C ATOM 714 C LYS A 51 13.494 -9.150 -2.620 1.00 0.00 C ATOM 715 O LYS A 51 13.510 -9.141 -3.835 1.00 0.00 O ATOM 716 CB LYS A 51 11.540 -8.141 -1.390 1.00 0.00 C ATOM 717 CG LYS A 51 11.351 -7.578 0.020 1.00 0.00 C ATOM 718 CD LYS A 51 11.191 -8.730 1.014 1.00 0.00 C ATOM 719 CE LYS A 51 10.539 -8.209 2.298 1.00 0.00 C ATOM 720 NZ LYS A 51 11.648 -7.568 3.059 1.00 0.00 N ATOM 0 H LYS A 51 12.372 -6.776 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 51 13.654 -7.842 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.871 -7.638 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.283 -9.200 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.208 -6.963 0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.473 -6.933 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.579 -9.519 0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.163 -9.168 1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.747 -7.494 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.086 -9.020 2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.280 -7.186 3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.384 -8.274 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.055 -6.796 2.494 1.00 0.00 H new ATOM 734 N LYS A 52 13.921 -10.179 -1.944 1.00 0.00 N ATOM 735 CA LYS A 52 14.444 -11.381 -2.655 1.00 0.00 C ATOM 736 C LYS A 52 13.374 -12.476 -2.835 1.00 0.00 C ATOM 737 O LYS A 52 13.404 -13.189 -3.819 1.00 0.00 O ATOM 738 CB LYS A 52 15.577 -11.893 -1.766 1.00 0.00 C ATOM 739 CG LYS A 52 16.922 -11.602 -2.434 1.00 0.00 C ATOM 740 CD LYS A 52 17.835 -10.873 -1.446 1.00 0.00 C ATOM 741 CE LYS A 52 19.032 -10.284 -2.196 1.00 0.00 C ATOM 742 NZ LYS A 52 20.115 -10.190 -1.177 1.00 0.00 N ATOM 0 H LYS A 52 13.931 -10.241 -0.926 1.00 0.00 H new ATOM 0 HA LYS A 52 14.769 -11.125 -3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.533 -11.412 -0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.466 -12.964 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.388 -12.533 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.773 -10.993 -3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.283 -10.080 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.179 -11.563 -0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.328 -10.921 -3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.795 -9.305 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.971 -9.794 -1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.807 -9.572 -0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.324 -11.138 -0.804 1.00 0.00 H new ATOM 756 N PRO A 53 12.475 -12.611 -1.885 1.00 0.00 N ATOM 757 CA PRO A 53 11.442 -13.669 -1.991 1.00 0.00 C ATOM 758 C PRO A 53 10.363 -13.307 -3.019 1.00 0.00 C ATOM 759 O PRO A 53 10.460 -13.652 -4.180 1.00 0.00 O ATOM 760 CB PRO A 53 10.854 -13.744 -0.586 1.00 0.00 C ATOM 761 CG PRO A 53 11.109 -12.403 0.022 1.00 0.00 C ATOM 762 CD PRO A 53 12.324 -11.821 -0.654 1.00 0.00 C ATOM 0 HA PRO A 53 11.856 -14.618 -2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.787 -13.965 -0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.326 -14.536 -0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.246 -11.751 -0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.275 -12.494 1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.186 -10.763 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.207 -11.901 -0.020 1.00 0.00 H new ATOM 770 N TYR A 54 9.325 -12.640 -2.596 1.00 0.00 N ATOM 771 CA TYR A 54 8.225 -12.286 -3.549 1.00 0.00 C ATOM 772 C TYR A 54 7.687 -10.879 -3.272 1.00 0.00 C ATOM 773 O TYR A 54 6.584 -10.545 -3.656 1.00 0.00 O ATOM 774 CB TYR A 54 7.117 -13.331 -3.319 1.00 0.00 C ATOM 775 CG TYR A 54 7.206 -13.899 -1.917 1.00 0.00 C ATOM 776 CD1 TYR A 54 7.223 -13.038 -0.813 1.00 0.00 C ATOM 777 CD2 TYR A 54 7.286 -15.283 -1.725 1.00 0.00 C ATOM 778 CE1 TYR A 54 7.319 -13.560 0.481 1.00 0.00 C ATOM 779 CE2 TYR A 54 7.384 -15.806 -0.430 1.00 0.00 C ATOM 780 CZ TYR A 54 7.400 -14.944 0.673 1.00 0.00 C ATOM 781 OH TYR A 54 7.496 -15.460 1.950 1.00 0.00 O ATOM 0 H TYR A 54 9.187 -12.324 -1.636 1.00 0.00 H new ATOM 0 HA TYR A 54 8.583 -12.290 -4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.140 -12.873 -3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.209 -14.134 -4.050 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.162 -11.970 -0.961 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.272 -15.948 -2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.331 -12.895 1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 54 7.447 -16.874 -0.282 1.00 0.00 H new ATOM 0 HH TYR A 54 7.542 -16.438 1.905 1.00 0.00 H new ATOM 791 N GLU A 55 8.447 -10.050 -2.614 1.00 0.00 N ATOM 792 CA GLU A 55 7.955 -8.671 -2.328 1.00 0.00 C ATOM 793 C GLU A 55 8.262 -7.744 -3.508 1.00 0.00 C ATOM 794 O GLU A 55 9.405 -7.519 -3.852 1.00 0.00 O ATOM 795 CB GLU A 55 8.717 -8.227 -1.081 1.00 0.00 C ATOM 796 CG GLU A 55 7.734 -8.028 0.074 1.00 0.00 C ATOM 797 CD GLU A 55 8.064 -9.009 1.200 1.00 0.00 C ATOM 798 OE1 GLU A 55 8.426 -10.133 0.893 1.00 0.00 O ATOM 799 OE2 GLU A 55 7.948 -8.620 2.351 1.00 0.00 O ATOM 0 H GLU A 55 9.381 -10.263 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 55 6.876 -8.641 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.463 -8.975 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.253 -7.299 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.791 -7.003 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.713 -8.186 -0.272 1.00 0.00 H new ATOM 806 N GLU A 56 7.248 -7.206 -4.130 1.00 0.00 N ATOM 807 CA GLU A 56 7.482 -6.295 -5.288 1.00 0.00 C ATOM 808 C GLU A 56 7.251 -4.840 -4.873 1.00 0.00 C ATOM 809 O GLU A 56 6.170 -4.305 -5.025 1.00 0.00 O ATOM 810 CB GLU A 56 6.458 -6.720 -6.341 1.00 0.00 C ATOM 811 CG GLU A 56 6.616 -5.847 -7.588 1.00 0.00 C ATOM 812 CD GLU A 56 5.262 -5.697 -8.283 1.00 0.00 C ATOM 813 OE1 GLU A 56 4.255 -5.869 -7.616 1.00 0.00 O ATOM 814 OE2 GLU A 56 5.255 -5.414 -9.469 1.00 0.00 O ATOM 0 H GLU A 56 6.269 -7.357 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 56 8.503 -6.360 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.600 -7.770 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.448 -6.623 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.005 -4.867 -7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.338 -6.296 -8.270 1.00 0.00 H new ATOM 821 N VAL A 57 8.258 -4.195 -4.351 1.00 0.00 N ATOM 822 CA VAL A 57 8.093 -2.775 -3.928 1.00 0.00 C ATOM 823 C VAL A 57 8.305 -1.839 -5.122 1.00 0.00 C ATOM 824 O VAL A 57 8.916 -2.202 -6.107 1.00 0.00 O ATOM 825 CB VAL A 57 9.171 -2.548 -2.869 1.00 0.00 C ATOM 826 CG1 VAL A 57 9.151 -1.084 -2.426 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.898 -3.449 -1.663 1.00 0.00 C ATOM 0 H VAL A 57 9.187 -4.589 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 57 7.094 -2.573 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 57 10.148 -2.787 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.920 -0.922 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.345 -0.441 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.174 -0.844 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.667 -3.288 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.921 -3.210 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.912 -4.492 -1.978 1.00 0.00 H new ATOM 837 N THR A 58 7.809 -0.636 -5.038 1.00 0.00 N ATOM 838 CA THR A 58 7.983 0.328 -6.162 1.00 0.00 C ATOM 839 C THR A 58 8.247 1.726 -5.603 1.00 0.00 C ATOM 840 O THR A 58 8.520 1.889 -4.432 1.00 0.00 O ATOM 841 CB THR A 58 6.661 0.294 -6.930 1.00 0.00 C ATOM 842 OG1 THR A 58 5.962 -0.902 -6.615 1.00 0.00 O ATOM 843 CG2 THR A 58 6.941 0.344 -8.433 1.00 0.00 C ATOM 0 H THR A 58 7.289 -0.277 -4.237 1.00 0.00 H new ATOM 0 HA THR A 58 8.825 0.072 -6.805 1.00 0.00 H new ATOM 0 HB THR A 58 6.054 1.154 -6.647 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.673 -0.875 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.998 0.320 -8.980 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.476 1.263 -8.673 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.548 -0.515 -8.719 1.00 0.00 H new ATOM 851 N CYS A 59 8.168 2.738 -6.422 1.00 0.00 N ATOM 852 CA CYS A 59 8.417 4.115 -5.911 1.00 0.00 C ATOM 853 C CYS A 59 7.336 5.076 -6.369 1.00 0.00 C ATOM 854 O CYS A 59 6.457 4.740 -7.137 1.00 0.00 O ATOM 855 CB CYS A 59 9.729 4.565 -6.530 1.00 0.00 C ATOM 856 SG CYS A 59 11.114 4.079 -5.469 1.00 0.00 S ATOM 0 H CYS A 59 7.944 2.673 -7.415 1.00 0.00 H new ATOM 0 HA CYS A 59 8.433 4.109 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.845 4.122 -7.519 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.725 5.647 -6.664 1.00 0.00 H new ATOM 861 N CYS A 60 7.433 6.290 -5.923 1.00 0.00 N ATOM 862 CA CYS A 60 6.457 7.322 -6.346 1.00 0.00 C ATOM 863 C CYS A 60 6.919 8.690 -5.838 1.00 0.00 C ATOM 864 O CYS A 60 6.711 9.046 -4.697 1.00 0.00 O ATOM 865 CB CYS A 60 5.105 6.861 -5.760 1.00 0.00 C ATOM 866 SG CYS A 60 4.122 8.233 -5.071 1.00 0.00 S ATOM 0 H CYS A 60 8.153 6.615 -5.278 1.00 0.00 H new ATOM 0 HA CYS A 60 6.365 7.432 -7.427 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.528 6.364 -6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.287 6.123 -4.978 1.00 0.00 H new ATOM 871 N SER A 61 7.558 9.455 -6.682 1.00 0.00 N ATOM 872 CA SER A 61 8.053 10.793 -6.252 1.00 0.00 C ATOM 873 C SER A 61 7.122 11.920 -6.722 1.00 0.00 C ATOM 874 O SER A 61 7.297 13.064 -6.350 1.00 0.00 O ATOM 875 CB SER A 61 9.415 10.929 -6.908 1.00 0.00 C ATOM 876 OG SER A 61 10.409 11.076 -5.903 1.00 0.00 O ATOM 0 H SER A 61 7.758 9.210 -7.652 1.00 0.00 H new ATOM 0 HA SER A 61 8.097 10.872 -5.166 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.626 10.051 -7.519 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.426 11.791 -7.575 1.00 0.00 H new ATOM 0 HG SER A 61 11.290 11.162 -6.324 1.00 0.00 H new ATOM 882 N THR A 62 6.138 11.625 -7.534 1.00 0.00 N ATOM 883 CA THR A 62 5.227 12.712 -8.002 1.00 0.00 C ATOM 884 C THR A 62 4.182 13.025 -6.927 1.00 0.00 C ATOM 885 O THR A 62 4.177 12.440 -5.863 1.00 0.00 O ATOM 886 CB THR A 62 4.553 12.164 -9.264 1.00 0.00 C ATOM 887 OG1 THR A 62 5.295 11.058 -9.759 1.00 0.00 O ATOM 888 CG2 THR A 62 4.499 13.260 -10.329 1.00 0.00 C ATOM 0 H THR A 62 5.928 10.692 -7.889 1.00 0.00 H new ATOM 0 HA THR A 62 5.765 13.638 -8.203 1.00 0.00 H new ATOM 0 HB THR A 62 3.540 11.841 -9.022 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.862 10.708 -10.565 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.020 12.871 -11.227 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.927 14.107 -9.950 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.512 13.584 -10.569 1.00 0.00 H new ATOM 896 N ASP A 63 3.296 13.943 -7.197 1.00 0.00 N ATOM 897 CA ASP A 63 2.252 14.287 -6.189 1.00 0.00 C ATOM 898 C ASP A 63 1.176 13.198 -6.169 1.00 0.00 C ATOM 899 O ASP A 63 0.573 12.893 -7.178 1.00 0.00 O ATOM 900 CB ASP A 63 1.665 15.616 -6.664 1.00 0.00 C ATOM 901 CG ASP A 63 2.663 16.742 -6.389 1.00 0.00 C ATOM 902 OD1 ASP A 63 3.832 16.558 -6.685 1.00 0.00 O ATOM 903 OD2 ASP A 63 2.241 17.771 -5.886 1.00 0.00 O ATOM 0 H ASP A 63 3.249 14.469 -8.069 1.00 0.00 H new ATOM 0 HA ASP A 63 2.654 14.362 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.441 15.567 -7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.725 15.815 -6.149 1.00 0.00 H new ATOM 908 N LYS A 64 0.935 12.603 -5.032 1.00 0.00 N ATOM 909 CA LYS A 64 -0.098 11.531 -4.966 1.00 0.00 C ATOM 910 C LYS A 64 0.175 10.478 -6.045 1.00 0.00 C ATOM 911 O LYS A 64 -0.719 10.037 -6.738 1.00 0.00 O ATOM 912 CB LYS A 64 -1.426 12.241 -5.231 1.00 0.00 C ATOM 913 CG LYS A 64 -1.491 13.528 -4.408 1.00 0.00 C ATOM 914 CD LYS A 64 -2.890 13.684 -3.810 1.00 0.00 C ATOM 915 CE LYS A 64 -3.048 15.097 -3.242 1.00 0.00 C ATOM 916 NZ LYS A 64 -4.462 15.168 -2.777 1.00 0.00 N ATOM 0 H LYS A 64 1.406 12.811 -4.151 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.101 11.014 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.522 12.470 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.258 11.587 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.746 13.501 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.256 14.386 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.646 13.501 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.046 12.945 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.353 15.273 -2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.843 15.853 -4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.648 16.108 -2.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.101 15.004 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.626 14.442 -2.051 1.00 0.00 H new ATOM 930 N CYS A 65 1.407 10.067 -6.181 1.00 0.00 N ATOM 931 CA CYS A 65 1.738 9.030 -7.209 1.00 0.00 C ATOM 932 C CYS A 65 1.657 7.635 -6.587 1.00 0.00 C ATOM 933 O CYS A 65 2.169 6.673 -7.124 1.00 0.00 O ATOM 934 CB CYS A 65 3.154 9.324 -7.727 1.00 0.00 C ATOM 935 SG CYS A 65 4.270 9.759 -6.377 1.00 0.00 S ATOM 0 H CYS A 65 2.197 10.401 -5.629 1.00 0.00 H new ATOM 0 HA CYS A 65 1.029 9.061 -8.036 1.00 0.00 H new ATOM 0 HB2 CYS A 65 3.540 8.451 -8.253 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.117 10.140 -8.448 1.00 0.00 H new ATOM 940 N ASN A 66 1.009 7.520 -5.456 1.00 0.00 N ATOM 941 CA ASN A 66 0.885 6.191 -4.798 1.00 0.00 C ATOM 942 C ASN A 66 -0.522 5.565 -4.964 1.00 0.00 C ATOM 943 O ASN A 66 -0.879 4.701 -4.189 1.00 0.00 O ATOM 944 CB ASN A 66 1.149 6.477 -3.316 1.00 0.00 C ATOM 945 CG ASN A 66 2.428 5.771 -2.866 1.00 0.00 C ATOM 946 OD1 ASN A 66 2.550 5.385 -1.721 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.396 5.595 -3.719 1.00 0.00 N ATOM 0 H ASN A 66 0.561 8.292 -4.962 1.00 0.00 H new ATOM 0 HA ASN A 66 1.577 5.475 -5.241 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.241 7.551 -3.155 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.305 6.136 -2.716 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.257 5.133 -3.425 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.294 5.919 -4.681 1.00 0.00 H new ATOM 954 N PRO A 67 -1.294 5.998 -5.943 1.00 0.00 N ATOM 955 CA PRO A 67 -2.645 5.423 -6.118 1.00 0.00 C ATOM 956 C PRO A 67 -2.535 4.084 -6.838 1.00 0.00 C ATOM 957 O PRO A 67 -2.565 4.017 -8.051 1.00 0.00 O ATOM 958 CB PRO A 67 -3.371 6.445 -6.983 1.00 0.00 C ATOM 959 CG PRO A 67 -2.296 7.161 -7.736 1.00 0.00 C ATOM 960 CD PRO A 67 -1.011 7.021 -6.956 1.00 0.00 C ATOM 0 HA PRO A 67 -3.164 5.238 -5.178 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.070 5.959 -7.663 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.950 7.137 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.184 6.739 -8.735 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.554 8.213 -7.861 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.187 6.719 -7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.724 7.966 -6.494 1.00 0.00 H new ATOM 968 N HIS A 68 -2.398 3.017 -6.107 1.00 0.00 N ATOM 969 CA HIS A 68 -2.275 1.694 -6.766 1.00 0.00 C ATOM 970 C HIS A 68 -3.333 1.566 -7.861 1.00 0.00 C ATOM 971 O HIS A 68 -4.357 2.219 -7.817 1.00 0.00 O ATOM 972 CB HIS A 68 -2.479 0.669 -5.652 1.00 0.00 C ATOM 973 CG HIS A 68 -3.842 0.820 -5.037 1.00 0.00 C ATOM 974 ND1 HIS A 68 -4.809 -0.165 -5.151 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.417 1.830 -4.306 1.00 0.00 C ATOM 976 CE1 HIS A 68 -5.910 0.270 -4.522 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.728 1.482 -3.985 1.00 0.00 N ATOM 0 H HIS A 68 -2.366 3.004 -5.088 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.310 1.548 -7.251 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.364 -0.338 -6.052 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.713 0.798 -4.887 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.929 2.751 -4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.831 -0.290 -4.457 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.403 2.033 -3.455 1.00 0.00 H new ATOM 985 N PRO A 69 -3.034 0.744 -8.826 1.00 0.00 N ATOM 986 CA PRO A 69 -3.954 0.547 -9.968 1.00 0.00 C ATOM 987 C PRO A 69 -5.129 -0.341 -9.565 1.00 0.00 C ATOM 988 O PRO A 69 -5.195 -1.500 -9.925 1.00 0.00 O ATOM 989 CB PRO A 69 -3.082 -0.141 -11.013 1.00 0.00 C ATOM 990 CG PRO A 69 -1.995 -0.821 -10.239 1.00 0.00 C ATOM 991 CD PRO A 69 -1.824 -0.076 -8.938 1.00 0.00 C ATOM 0 HA PRO A 69 -4.392 1.477 -10.330 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.659 -0.860 -11.594 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.670 0.581 -11.718 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.253 -1.863 -10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.064 -0.820 -10.806 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.730 -0.762 -8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.925 0.541 -8.948 1.00 0.00 H new ATOM 999 N LYS A 70 -6.063 0.189 -8.824 1.00 0.00 N ATOM 1000 CA LYS A 70 -7.227 -0.638 -8.413 1.00 0.00 C ATOM 1001 C LYS A 70 -8.352 0.232 -7.865 1.00 0.00 C ATOM 1002 O LYS A 70 -8.560 0.313 -6.673 1.00 0.00 O ATOM 1003 CB LYS A 70 -6.699 -1.561 -7.322 1.00 0.00 C ATOM 1004 CG LYS A 70 -6.653 -2.992 -7.845 1.00 0.00 C ATOM 1005 CD LYS A 70 -8.073 -3.484 -8.140 1.00 0.00 C ATOM 1006 CE LYS A 70 -8.391 -3.312 -9.628 1.00 0.00 C ATOM 1007 NZ LYS A 70 -9.450 -2.263 -9.676 1.00 0.00 N ATOM 0 H LYS A 70 -6.069 1.152 -8.488 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.641 -1.189 -9.257 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.703 -1.243 -7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.339 -1.505 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.047 -3.039 -8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.179 -3.642 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.169 -4.533 -7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.792 -2.926 -7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.507 -3.007 -10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.740 -4.246 -10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.332 -2.677 -10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.611 -1.889 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.146 -1.491 -10.303 1.00 0.00 H new ATOM 1021 N GLN A 71 -9.089 0.870 -8.724 1.00 0.00 N ATOM 1022 CA GLN A 71 -10.212 1.719 -8.249 1.00 0.00 C ATOM 1023 C GLN A 71 -11.523 1.192 -8.828 1.00 0.00 C ATOM 1024 O GLN A 71 -12.147 1.830 -9.652 1.00 0.00 O ATOM 1025 CB GLN A 71 -9.909 3.125 -8.774 1.00 0.00 C ATOM 1026 CG GLN A 71 -8.420 3.429 -8.610 1.00 0.00 C ATOM 1027 CD GLN A 71 -8.253 4.746 -7.857 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -7.508 4.779 -6.790 1.00 0.00 O flip ATOM 1029 NE2 GLN A 71 -8.807 5.755 -8.243 1.00 0.00 N flip ATOM 0 H GLN A 71 -8.963 0.841 -9.736 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.311 1.717 -7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.191 3.200 -9.824 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.502 3.861 -8.231 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.930 2.621 -8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.940 3.492 -9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.391 5.728 -9.079 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.689 6.629 -7.731 1.00 0.00 H new ATOM 1038 N ARG A 72 -11.931 0.019 -8.406 1.00 0.00 N ATOM 1039 CA ARG A 72 -13.197 -0.579 -8.929 1.00 0.00 C ATOM 1040 C ARG A 72 -14.244 0.506 -9.198 1.00 0.00 C ATOM 1041 O ARG A 72 -14.487 1.355 -8.364 1.00 0.00 O ATOM 1042 CB ARG A 72 -13.676 -1.517 -7.822 1.00 0.00 C ATOM 1043 CG ARG A 72 -13.709 -2.952 -8.350 1.00 0.00 C ATOM 1044 CD ARG A 72 -14.862 -3.713 -7.692 1.00 0.00 C ATOM 1045 NE ARG A 72 -14.244 -4.959 -7.162 1.00 0.00 N ATOM 1046 CZ ARG A 72 -14.758 -6.120 -7.461 1.00 0.00 C ATOM 1047 NH1 ARG A 72 -14.717 -6.555 -8.691 1.00 0.00 N ATOM 1048 NH2 ARG A 72 -15.314 -6.847 -6.531 1.00 0.00 N ATOM 0 H ARG A 72 -11.438 -0.551 -7.719 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.039 -1.099 -9.874 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.011 -1.450 -6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.668 -1.220 -7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.832 -2.949 -9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.763 -3.450 -8.138 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -15.318 -3.127 -6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.649 -3.937 -8.412 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.419 -4.905 -6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.283 -5.987 -9.419 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.119 -7.463 -8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.347 -6.508 -5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.716 -7.755 -6.765 1.00 0.00 H new ATOM 1062 N PRO A 73 -14.828 0.438 -10.364 1.00 0.00 N ATOM 1063 CA PRO A 73 -15.859 1.427 -10.759 1.00 0.00 C ATOM 1064 C PRO A 73 -17.157 1.186 -9.983 1.00 0.00 C ATOM 1065 O PRO A 73 -17.399 0.107 -9.479 1.00 0.00 O ATOM 1066 CB PRO A 73 -16.058 1.162 -12.249 1.00 0.00 C ATOM 1067 CG PRO A 73 -15.641 -0.261 -12.447 1.00 0.00 C ATOM 1068 CD PRO A 73 -14.585 -0.557 -11.415 1.00 0.00 C ATOM 0 HA PRO A 73 -15.568 2.456 -10.550 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.097 1.313 -12.542 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.454 1.838 -12.854 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -16.492 -0.932 -12.332 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.250 -0.412 -13.453 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.675 -1.573 -11.031 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.582 -0.461 -11.831 1.00 0.00 H new ATOM 1076 N GLY A 74 -17.993 2.183 -9.884 1.00 0.00 N ATOM 1077 CA GLY A 74 -19.274 2.012 -9.142 1.00 0.00 C ATOM 1078 C GLY A 74 -19.456 3.173 -8.163 1.00 0.00 C ATOM 1079 O GLY A 74 -18.566 3.387 -7.357 1.00 0.00 O ATOM 1080 OXT GLY A 74 -20.483 3.827 -8.236 1.00 0.00 O ATOM 0 H GLY A 74 -17.844 3.109 -10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -20.110 1.978 -9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.270 1.065 -8.603 1.00 0.00 H new TER 1084 GLY A 74 ATOM 1085 N MET B 1 -12.796 -6.010 2.690 1.00 0.00 N ATOM 1086 CA MET B 1 -12.442 -4.717 3.343 1.00 0.00 C ATOM 1087 C MET B 1 -10.941 -4.447 3.209 1.00 0.00 C ATOM 1088 O MET B 1 -10.146 -4.924 3.993 1.00 0.00 O ATOM 1089 CB MET B 1 -12.820 -4.900 4.813 1.00 0.00 C ATOM 1090 CG MET B 1 -13.447 -3.610 5.343 1.00 0.00 C ATOM 1091 SD MET B 1 -12.877 -3.311 7.035 1.00 0.00 S ATOM 1092 CE MET B 1 -14.104 -2.053 7.464 1.00 0.00 C ATOM 0 H1 MET B 1 -13.824 -6.156 2.744 1.00 0.00 H new ATOM 0 H2 MET B 1 -12.501 -5.988 1.693 1.00 0.00 H new ATOM 0 H3 MET B 1 -12.310 -6.790 3.177 1.00 0.00 H new ATOM 0 HA MET B 1 -12.959 -3.872 2.888 1.00 0.00 H new ATOM 0 HB2 MET B 1 -13.521 -5.728 4.919 1.00 0.00 H new ATOM 0 HB3 MET B 1 -11.936 -5.154 5.398 1.00 0.00 H new ATOM 0 HG2 MET B 1 -13.174 -2.771 4.703 1.00 0.00 H new ATOM 0 HG3 MET B 1 -14.534 -3.687 5.323 1.00 0.00 H new ATOM 0 HE1 MET B 1 -13.938 -1.717 8.488 1.00 0.00 H new ATOM 0 HE2 MET B 1 -14.009 -1.206 6.785 1.00 0.00 H new ATOM 0 HE3 MET B 1 -15.105 -2.477 7.378 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.544 -3.686 2.224 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.090 -3.397 2.059 1.00 0.00 C ATOM 1106 C ARG B 2 -8.813 -2.689 0.741 1.00 0.00 C ATOM 1107 O ARG B 2 -9.632 -2.658 -0.156 1.00 0.00 O ATOM 1108 CB ARG B 2 -8.407 -4.769 2.018 1.00 0.00 C ATOM 1109 CG ARG B 2 -7.377 -4.864 3.146 1.00 0.00 C ATOM 1110 CD ARG B 2 -7.598 -6.158 3.932 1.00 0.00 C ATOM 1111 NE ARG B 2 -7.786 -5.722 5.343 1.00 0.00 N ATOM 1112 CZ ARG B 2 -6.950 -6.117 6.263 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -5.665 -6.060 6.044 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -7.399 -6.569 7.401 1.00 0.00 N ATOM 0 H ARG B 2 -11.158 -3.255 1.532 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.733 -2.755 2.864 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -9.150 -5.560 2.123 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -7.920 -4.915 1.054 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.368 -4.844 2.734 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.468 -4.003 3.809 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -8.471 -6.698 3.566 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.744 -6.829 3.836 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.568 -5.115 5.590 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -5.315 -5.707 5.154 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -5.011 -6.369 6.763 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -8.404 -6.614 7.571 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -6.745 -6.878 8.121 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.619 -2.200 0.596 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.219 -1.579 -0.690 1.00 0.00 C ATOM 1130 C TYR B 3 -6.469 -2.674 -1.402 1.00 0.00 C ATOM 1131 O TYR B 3 -5.330 -2.531 -1.797 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.278 -0.403 -0.381 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.386 -0.014 1.073 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -7.340 0.923 1.487 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -5.535 -0.609 2.009 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -7.440 1.263 2.841 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -5.634 -0.269 3.360 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.586 0.665 3.777 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.685 0.992 5.112 1.00 0.00 O ATOM 0 H TYR B 3 -6.898 -2.204 1.318 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.053 -1.201 -1.281 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.250 -0.680 -0.615 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.530 0.449 -1.012 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -7.997 1.382 0.763 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -4.800 -1.332 1.687 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -8.175 1.986 3.164 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -4.975 -0.728 4.082 1.00 0.00 H new ATOM 0 HH TYR B 3 -6.019 0.486 5.623 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.104 -3.801 -1.505 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.446 -4.964 -2.117 1.00 0.00 C ATOM 1151 C TYR B 4 -6.189 -4.719 -3.581 1.00 0.00 C ATOM 1152 O TYR B 4 -6.439 -3.660 -4.121 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.447 -6.107 -1.981 1.00 0.00 C ATOM 1154 CG TYR B 4 -7.049 -7.027 -0.857 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.447 -6.513 0.295 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -7.301 -8.398 -0.964 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -6.099 -7.371 1.342 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.949 -9.257 0.079 1.00 0.00 C ATOM 1159 CZ TYR B 4 -6.349 -8.744 1.234 1.00 0.00 C ATOM 1160 OH TYR B 4 -6.015 -9.589 2.269 1.00 0.00 O ATOM 0 H TYR B 4 -8.060 -3.961 -1.186 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.489 -5.174 -1.639 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.443 -5.705 -1.795 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.498 -6.666 -2.915 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.251 -5.454 0.376 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -7.768 -8.793 -1.854 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.637 -6.975 2.234 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -7.140 -10.317 -0.006 1.00 0.00 H new ATOM 0 HH TYR B 4 -6.423 -10.467 2.119 1.00 0.00 H new ATOM 1170 N GLU B 5 -5.700 -5.718 -4.214 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.414 -5.612 -5.673 1.00 0.00 C ATOM 1172 C GLU B 5 -6.696 -5.860 -6.475 1.00 0.00 C ATOM 1173 O GLU B 5 -6.669 -6.004 -7.681 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.373 -6.691 -5.961 1.00 0.00 C ATOM 1175 CG GLU B 5 -4.982 -8.072 -5.714 1.00 0.00 C ATOM 1176 CD GLU B 5 -5.187 -8.786 -7.051 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -4.327 -8.657 -7.907 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -6.199 -9.451 -7.197 1.00 0.00 O ATOM 0 H GLU B 5 -5.478 -6.620 -3.793 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.049 -4.624 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -4.030 -6.613 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -3.501 -6.548 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -4.327 -8.661 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -5.934 -7.973 -5.193 1.00 0.00 H new ATOM 1185 N SER B 6 -7.822 -5.901 -5.811 1.00 0.00 N ATOM 1186 CA SER B 6 -9.111 -6.127 -6.526 1.00 0.00 C ATOM 1187 C SER B 6 -9.970 -4.858 -6.466 1.00 0.00 C ATOM 1188 O SER B 6 -11.013 -4.774 -7.084 1.00 0.00 O ATOM 1189 CB SER B 6 -9.787 -7.271 -5.771 1.00 0.00 C ATOM 1190 OG SER B 6 -11.187 -7.034 -5.718 1.00 0.00 O ATOM 0 H SER B 6 -7.903 -5.787 -4.801 1.00 0.00 H new ATOM 0 HA SER B 6 -8.967 -6.367 -7.580 1.00 0.00 H new ATOM 0 HB2 SER B 6 -9.585 -8.220 -6.268 1.00 0.00 H new ATOM 0 HB3 SER B 6 -9.381 -7.347 -4.762 1.00 0.00 H new ATOM 0 HG SER B 6 -11.625 -7.766 -5.236 1.00 0.00 H new ATOM 1196 N SER B 7 -9.531 -3.872 -5.723 1.00 0.00 N ATOM 1197 CA SER B 7 -10.298 -2.595 -5.602 1.00 0.00 C ATOM 1198 C SER B 7 -9.803 -1.812 -4.382 1.00 0.00 C ATOM 1199 O SER B 7 -8.886 -2.227 -3.701 1.00 0.00 O ATOM 1200 CB SER B 7 -11.756 -3.007 -5.403 1.00 0.00 C ATOM 1201 OG SER B 7 -12.396 -2.055 -4.568 1.00 0.00 O ATOM 0 H SER B 7 -8.663 -3.899 -5.189 1.00 0.00 H new ATOM 0 HA SER B 7 -10.176 -1.959 -6.479 1.00 0.00 H new ATOM 0 HB2 SER B 7 -12.265 -3.066 -6.365 1.00 0.00 H new ATOM 0 HB3 SER B 7 -11.809 -3.998 -4.953 1.00 0.00 H new ATOM 0 HG SER B 7 -13.346 -2.279 -4.485 1.00 0.00 H new ATOM 1207 N LEU B 8 -10.403 -0.688 -4.092 1.00 0.00 N ATOM 1208 CA LEU B 8 -9.958 0.102 -2.907 1.00 0.00 C ATOM 1209 C LEU B 8 -11.164 0.554 -2.079 1.00 0.00 C ATOM 1210 O LEU B 8 -11.069 1.446 -1.259 1.00 0.00 O ATOM 1211 CB LEU B 8 -9.179 1.308 -3.452 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.778 1.804 -4.771 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -11.011 2.661 -4.483 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.730 2.645 -5.504 1.00 0.00 C ATOM 0 H LEU B 8 -11.177 -0.285 -4.620 1.00 0.00 H new ATOM 0 HA LEU B 8 -9.330 -0.496 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -9.191 2.114 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -8.136 1.032 -3.605 1.00 0.00 H new ATOM 0 HG LEU B 8 -10.069 0.954 -5.388 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -11.437 3.014 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -11.752 2.065 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -10.725 3.516 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -9.145 3.004 -6.446 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -8.448 3.496 -4.884 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -7.850 2.035 -5.705 1.00 0.00 H new ATOM 1226 N LYS B 9 -12.291 -0.072 -2.274 1.00 0.00 N ATOM 1227 CA LYS B 9 -13.501 0.298 -1.487 1.00 0.00 C ATOM 1228 C LYS B 9 -13.624 -0.614 -0.266 1.00 0.00 C ATOM 1229 O LYS B 9 -13.979 -1.769 -0.383 1.00 0.00 O ATOM 1230 CB LYS B 9 -14.683 0.076 -2.432 1.00 0.00 C ATOM 1231 CG LYS B 9 -15.453 1.387 -2.603 1.00 0.00 C ATOM 1232 CD LYS B 9 -16.169 1.389 -3.954 1.00 0.00 C ATOM 1233 CE LYS B 9 -17.433 2.246 -3.859 1.00 0.00 C ATOM 1234 NZ LYS B 9 -18.499 1.309 -3.406 1.00 0.00 N ATOM 0 H LYS B 9 -12.427 -0.827 -2.947 1.00 0.00 H new ATOM 0 HA LYS B 9 -13.458 1.326 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -14.327 -0.278 -3.400 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -15.342 -0.695 -2.033 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -16.177 1.503 -1.796 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -14.769 2.233 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -15.508 1.781 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -16.428 0.370 -4.242 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -17.302 3.066 -3.153 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -17.682 2.691 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -19.398 1.823 -3.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -18.606 0.543 -4.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -18.238 0.906 -2.483 1.00 0.00 H new ATOM 1248 N SER B 10 -13.328 -0.106 0.901 1.00 0.00 N ATOM 1249 CA SER B 10 -13.427 -0.946 2.132 1.00 0.00 C ATOM 1250 C SER B 10 -14.675 -1.832 2.073 1.00 0.00 C ATOM 1251 O SER B 10 -15.753 -1.429 2.461 1.00 0.00 O ATOM 1252 CB SER B 10 -13.535 0.052 3.284 1.00 0.00 C ATOM 1253 OG SER B 10 -14.869 0.536 3.362 1.00 0.00 O ATOM 0 H SER B 10 -13.022 0.855 1.056 1.00 0.00 H new ATOM 0 HA SER B 10 -12.571 -1.612 2.246 1.00 0.00 H new ATOM 0 HB2 SER B 10 -13.254 -0.426 4.222 1.00 0.00 H new ATOM 0 HB3 SER B 10 -12.844 0.880 3.129 1.00 0.00 H new ATOM 0 HG SER B 10 -15.468 -0.196 3.618 1.00 0.00 H new ATOM 1259 N TYR B 11 -14.536 -3.034 1.585 1.00 0.00 N ATOM 1260 CA TYR B 11 -15.713 -3.945 1.496 1.00 0.00 C ATOM 1261 C TYR B 11 -16.028 -4.543 2.870 1.00 0.00 C ATOM 1262 O TYR B 11 -15.136 -4.805 3.652 1.00 0.00 O ATOM 1263 CB TYR B 11 -15.286 -5.041 0.521 1.00 0.00 C ATOM 1264 CG TYR B 11 -15.084 -4.450 -0.856 1.00 0.00 C ATOM 1265 CD1 TYR B 11 -16.170 -3.901 -1.550 1.00 0.00 C ATOM 1266 CD2 TYR B 11 -13.812 -4.463 -1.446 1.00 0.00 C ATOM 1267 CE1 TYR B 11 -15.987 -3.368 -2.830 1.00 0.00 C ATOM 1268 CE2 TYR B 11 -13.628 -3.926 -2.727 1.00 0.00 C ATOM 1269 CZ TYR B 11 -14.718 -3.380 -3.419 1.00 0.00 C ATOM 1270 OH TYR B 11 -14.545 -2.858 -4.684 1.00 0.00 O ATOM 0 H TYR B 11 -13.658 -3.425 1.244 1.00 0.00 H new ATOM 0 HA TYR B 11 -16.613 -3.427 1.164 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -14.363 -5.508 0.866 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -16.044 -5.823 0.484 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -17.150 -3.889 -1.096 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -12.974 -4.887 -0.913 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -16.826 -2.947 -3.364 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -12.648 -3.933 -3.181 1.00 0.00 H new ATOM 0 HH TYR B 11 -14.946 -1.965 -4.727 1.00 0.00 H new ATOM 1280 N PRO B 12 -17.296 -4.738 3.115 1.00 0.00 N ATOM 1281 CA PRO B 12 -17.744 -5.311 4.408 1.00 0.00 C ATOM 1282 C PRO B 12 -17.442 -6.812 4.465 1.00 0.00 C ATOM 1283 O PRO B 12 -16.613 -7.317 3.735 1.00 0.00 O ATOM 1284 CB PRO B 12 -19.249 -5.061 4.406 1.00 0.00 C ATOM 1285 CG PRO B 12 -19.626 -4.960 2.962 1.00 0.00 C ATOM 1286 CD PRO B 12 -18.420 -4.444 2.220 1.00 0.00 C ATOM 0 HA PRO B 12 -17.242 -4.869 5.269 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -19.784 -5.874 4.897 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -19.497 -4.146 4.943 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -19.928 -5.933 2.575 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -20.474 -4.288 2.832 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -18.303 -4.940 1.257 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -18.502 -3.376 2.021 1.00 0.00 H new ATOM 1294 N ASP B 13 -18.111 -7.527 5.330 1.00 0.00 N ATOM 1295 CA ASP B 13 -17.865 -8.995 5.436 1.00 0.00 C ATOM 1296 C ASP B 13 -18.444 -9.717 4.216 1.00 0.00 C ATOM 1297 O ASP B 13 -18.689 -9.055 3.221 1.00 0.00 O ATOM 1298 CB ASP B 13 -18.594 -9.426 6.710 1.00 0.00 C ATOM 1299 CG ASP B 13 -17.757 -10.472 7.448 1.00 0.00 C ATOM 1300 OD1 ASP B 13 -17.856 -11.636 7.097 1.00 0.00 O ATOM 1301 OD2 ASP B 13 -17.033 -10.092 8.353 1.00 0.00 O ATOM 1302 OXT ASP B 13 -18.631 -10.920 4.298 1.00 0.00 O ATOM 0 H ASP B 13 -18.817 -7.158 5.967 1.00 0.00 H new ATOM 0 HA ASP B 13 -16.802 -9.235 5.472 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -18.766 -8.563 7.353 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -19.572 -9.837 6.461 1.00 0.00 H new TER 1307 ASP B 13