USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 THR OG1 : rot -120:sc= 0.227 USER MOD Set 1.2: A 125 THR OG1 : rot 100:sc= 0.635 USER MOD Set 2.1: A 47 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.052 K(o=0.052,f=-1.7) USER MOD Single : A 52 THR OG1 : rot 160:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0569 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -173:sc=-3.05e-05 (180deg=-0.104) USER MOD Single : A 80 LYS NZ :NH3+ -111:sc= 0.112 (180deg=-0.282) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.973 F(o=-1.7,f=-0.97) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 169:sc= -0.0202 (180deg=-0.158) USER MOD Single : A 86 THR OG1 : rot 29:sc= -0.577 USER MOD Single : A 91 TYR OH : rot 179:sc= 0.978 USER MOD Single : A 92 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0144) USER MOD Single : A 100 LYS NZ :NH3+ 166:sc= -0.102 (180deg=-0.415) USER MOD Single : A 117 THR OG1 : rot -110:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 168:sc= 0.113 (180deg=-0.0322) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 135:sc= -0.524 (180deg=-2.79!) USER MOD Single : A 126 LYS NZ :NH3+ -133:sc= -0.5 (180deg=-2.3!) USER MOD Single : A 127 CYS SG : rot -129:sc= -0.549 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 43 -16.399 31.250 8.864 1.00 0.00 N ATOM 2 CA MET A 43 -16.207 30.194 7.844 1.00 0.00 C ATOM 3 C MET A 43 -16.416 28.812 8.480 1.00 0.00 C ATOM 4 O MET A 43 -15.711 28.451 9.437 1.00 0.00 O ATOM 5 CB MET A 43 -14.789 30.270 7.206 1.00 0.00 C ATOM 6 CG MET A 43 -14.520 31.517 6.350 1.00 0.00 C ATOM 7 SD MET A 43 -14.676 33.056 7.278 1.00 0.00 S ATOM 8 CE MET A 43 -14.327 34.290 6.024 1.00 0.00 C ATOM 0 HA MET A 43 -16.942 30.351 7.054 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.047 30.230 8.004 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.639 29.385 6.587 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.516 31.453 5.930 1.00 0.00 H new ATOM 0 HG3 MET A 43 -15.216 31.533 5.512 1.00 0.00 H new ATOM 0 HE1 MET A 43 -14.390 35.285 6.465 1.00 0.00 H new ATOM 0 HE2 MET A 43 -13.324 34.132 5.627 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.054 34.204 5.217 1.00 0.00 H new ATOM 20 N ALA A 44 -17.393 28.048 7.948 1.00 0.00 N ATOM 21 CA ALA A 44 -17.640 26.655 8.354 1.00 0.00 C ATOM 22 C ALA A 44 -16.513 25.757 7.809 1.00 0.00 C ATOM 23 O ALA A 44 -16.576 25.286 6.667 1.00 0.00 O ATOM 24 CB ALA A 44 -19.025 26.179 7.874 1.00 0.00 C ATOM 0 H ALA A 44 -18.031 28.382 7.226 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.641 26.592 9.442 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.183 25.147 8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.798 26.812 8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.074 26.241 6.787 1.00 0.00 H new ATOM 30 N THR A 45 -15.446 25.606 8.616 1.00 0.00 N ATOM 31 CA THR A 45 -14.255 24.822 8.262 1.00 0.00 C ATOM 32 C THR A 45 -14.213 23.539 9.128 1.00 0.00 C ATOM 33 O THR A 45 -13.784 23.599 10.286 1.00 0.00 O ATOM 34 CB THR A 45 -12.952 25.676 8.480 1.00 0.00 C ATOM 35 OG1 THR A 45 -13.128 26.983 7.906 1.00 0.00 O ATOM 36 CG2 THR A 45 -11.707 25.011 7.855 1.00 0.00 C ATOM 0 H THR A 45 -15.389 26.031 9.542 1.00 0.00 H new ATOM 0 HA THR A 45 -14.305 24.544 7.209 1.00 0.00 H new ATOM 0 HB THR A 45 -12.788 25.750 9.555 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.316 27.513 8.045 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.833 25.638 8.031 1.00 0.00 H new ATOM 0 HG22 THR A 45 -11.550 24.033 8.310 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.858 24.892 6.782 1.00 0.00 H new ATOM 44 N PRO A 46 -14.715 22.371 8.610 1.00 0.00 N ATOM 45 CA PRO A 46 -14.649 21.091 9.337 1.00 0.00 C ATOM 46 C PRO A 46 -13.246 20.449 9.236 1.00 0.00 C ATOM 47 O PRO A 46 -12.987 19.603 8.372 1.00 0.00 O ATOM 48 CB PRO A 46 -15.754 20.242 8.658 1.00 0.00 C ATOM 49 CG PRO A 46 -15.788 20.738 7.239 1.00 0.00 C ATOM 50 CD PRO A 46 -15.402 22.211 7.295 1.00 0.00 C ATOM 0 HA PRO A 46 -14.810 21.192 10.410 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.521 19.178 8.702 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.717 20.377 9.149 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.094 20.177 6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.780 20.612 6.806 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -14.744 22.480 6.469 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.280 22.854 7.226 1.00 0.00 H new ATOM 58 N GLN A 47 -12.321 20.925 10.092 1.00 0.00 N ATOM 59 CA GLN A 47 -10.974 20.347 10.223 1.00 0.00 C ATOM 60 C GLN A 47 -11.082 19.008 10.972 1.00 0.00 C ATOM 61 O GLN A 47 -11.112 18.964 12.210 1.00 0.00 O ATOM 62 CB GLN A 47 -10.019 21.321 10.966 1.00 0.00 C ATOM 63 CG GLN A 47 -8.550 20.841 11.068 1.00 0.00 C ATOM 64 CD GLN A 47 -7.705 21.648 12.059 1.00 0.00 C ATOM 65 OE1 GLN A 47 -8.206 22.149 13.062 1.00 0.00 O ATOM 66 NE2 GLN A 47 -6.414 21.768 11.792 1.00 0.00 N ATOM 0 H GLN A 47 -12.488 21.719 10.710 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.554 20.178 9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.037 22.284 10.456 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.403 21.486 11.973 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.540 19.792 11.365 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.090 20.897 10.082 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.025 21.341 10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.808 22.287 12.427 1.00 0.00 H new ATOM 75 N ASP A 48 -11.192 17.930 10.200 1.00 0.00 N ATOM 76 CA ASP A 48 -11.426 16.579 10.730 1.00 0.00 C ATOM 77 C ASP A 48 -10.100 15.946 11.202 1.00 0.00 C ATOM 78 O ASP A 48 -9.034 16.230 10.641 1.00 0.00 O ATOM 79 CB ASP A 48 -12.099 15.704 9.638 1.00 0.00 C ATOM 80 CG ASP A 48 -12.631 14.374 10.185 1.00 0.00 C ATOM 81 OD1 ASP A 48 -11.859 13.397 10.288 1.00 0.00 O ATOM 82 OD2 ASP A 48 -13.817 14.316 10.550 1.00 0.00 O ATOM 0 H ASP A 48 -11.122 17.964 9.183 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.091 16.641 11.592 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.921 16.261 9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.379 15.503 8.845 1.00 0.00 H new ATOM 87 N LYS A 49 -10.185 15.091 12.239 1.00 0.00 N ATOM 88 CA LYS A 49 -9.022 14.381 12.808 1.00 0.00 C ATOM 89 C LYS A 49 -9.259 12.859 12.739 1.00 0.00 C ATOM 90 O LYS A 49 -8.559 12.142 12.013 1.00 0.00 O ATOM 91 CB LYS A 49 -8.773 14.849 14.277 1.00 0.00 C ATOM 92 CG LYS A 49 -8.511 16.367 14.447 1.00 0.00 C ATOM 93 CD LYS A 49 -7.253 16.857 13.681 1.00 0.00 C ATOM 94 CE LYS A 49 -7.035 18.376 13.810 1.00 0.00 C ATOM 95 NZ LYS A 49 -5.828 18.828 13.074 1.00 0.00 N ATOM 0 H LYS A 49 -11.064 14.872 12.707 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.131 14.616 12.226 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.638 14.575 14.881 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.919 14.302 14.677 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.381 16.921 14.096 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.395 16.593 15.507 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.375 16.334 14.060 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.349 16.596 12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.910 18.902 13.429 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.938 18.640 14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.660 19.836 13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.005 18.273 13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.973 18.692 12.053 1.00 0.00 H new ATOM 109 N LEU A 50 -10.292 12.378 13.453 1.00 0.00 N ATOM 110 CA LEU A 50 -10.551 10.935 13.623 1.00 0.00 C ATOM 111 C LEU A 50 -11.564 10.410 12.586 1.00 0.00 C ATOM 112 O LEU A 50 -12.698 10.067 12.927 1.00 0.00 O ATOM 113 CB LEU A 50 -11.019 10.638 15.083 1.00 0.00 C ATOM 114 CG LEU A 50 -9.993 10.963 16.215 1.00 0.00 C ATOM 115 CD1 LEU A 50 -10.613 10.742 17.619 1.00 0.00 C ATOM 116 CD2 LEU A 50 -8.683 10.158 16.025 1.00 0.00 C ATOM 0 H LEU A 50 -10.969 12.975 13.927 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.617 10.401 13.447 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.930 11.205 15.273 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.281 9.582 15.151 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.737 12.020 16.144 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.873 10.977 18.384 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.480 11.392 17.740 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.922 9.702 17.720 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.986 10.403 16.826 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.905 9.091 16.050 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.235 10.413 15.064 1.00 0.00 H new ATOM 128 N HIS A 51 -11.154 10.434 11.303 1.00 0.00 N ATOM 129 CA HIS A 51 -11.787 9.650 10.209 1.00 0.00 C ATOM 130 C HIS A 51 -10.680 9.177 9.256 1.00 0.00 C ATOM 131 O HIS A 51 -10.644 9.521 8.065 1.00 0.00 O ATOM 132 CB HIS A 51 -12.904 10.415 9.442 1.00 0.00 C ATOM 133 CG HIS A 51 -14.191 10.576 10.204 1.00 0.00 C ATOM 134 ND1 HIS A 51 -14.407 11.607 11.088 1.00 0.00 N ATOM 135 CD2 HIS A 51 -15.319 9.828 10.233 1.00 0.00 C ATOM 136 CE1 HIS A 51 -15.604 11.502 11.616 1.00 0.00 C ATOM 137 NE2 HIS A 51 -16.182 10.427 11.119 1.00 0.00 N ATOM 0 H HIS A 51 -10.367 11.001 10.987 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.299 8.801 10.661 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.530 11.403 9.173 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.112 9.889 8.510 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -13.736 12.345 11.302 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -15.506 8.928 9.666 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.040 12.180 12.334 1.00 0.00 H new ATOM 146 N THR A 52 -9.752 8.423 9.837 1.00 0.00 N ATOM 147 CA THR A 52 -8.679 7.733 9.114 1.00 0.00 C ATOM 148 C THR A 52 -9.142 6.302 8.764 1.00 0.00 C ATOM 149 O THR A 52 -9.828 5.663 9.565 1.00 0.00 O ATOM 150 CB THR A 52 -7.383 7.691 9.989 1.00 0.00 C ATOM 151 OG1 THR A 52 -7.048 9.021 10.419 1.00 0.00 O ATOM 152 CG2 THR A 52 -6.182 7.087 9.240 1.00 0.00 C ATOM 0 H THR A 52 -9.721 8.269 10.845 1.00 0.00 H new ATOM 0 HA THR A 52 -8.453 8.271 8.194 1.00 0.00 H new ATOM 0 HB THR A 52 -7.595 7.050 10.845 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.458 8.973 11.200 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.310 7.082 9.894 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.416 6.065 8.941 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.968 7.685 8.354 1.00 0.00 H new ATOM 160 N VAL A 53 -8.776 5.820 7.569 1.00 0.00 N ATOM 161 CA VAL A 53 -9.160 4.479 7.082 1.00 0.00 C ATOM 162 C VAL A 53 -7.956 3.527 7.196 1.00 0.00 C ATOM 163 O VAL A 53 -6.832 3.912 6.876 1.00 0.00 O ATOM 164 CB VAL A 53 -9.664 4.548 5.592 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.146 3.163 5.087 1.00 0.00 C ATOM 166 CG2 VAL A 53 -10.771 5.627 5.418 1.00 0.00 C ATOM 0 H VAL A 53 -8.204 6.346 6.908 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.978 4.102 7.696 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.814 4.842 4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.486 3.250 4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.323 2.450 5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.968 2.814 5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.097 5.649 4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.619 5.385 6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.374 6.604 5.695 1.00 0.00 H new ATOM 176 N ARG A 54 -8.201 2.296 7.669 1.00 0.00 N ATOM 177 CA ARG A 54 -7.186 1.227 7.743 1.00 0.00 C ATOM 178 C ARG A 54 -7.718 -0.021 7.013 1.00 0.00 C ATOM 179 O ARG A 54 -8.864 -0.430 7.221 1.00 0.00 O ATOM 180 CB ARG A 54 -6.838 0.908 9.227 1.00 0.00 C ATOM 181 CG ARG A 54 -5.790 -0.215 9.424 1.00 0.00 C ATOM 182 CD ARG A 54 -5.389 -0.429 10.900 1.00 0.00 C ATOM 183 NE ARG A 54 -4.729 0.760 11.477 1.00 0.00 N ATOM 184 CZ ARG A 54 -4.119 0.819 12.667 1.00 0.00 C ATOM 185 NH1 ARG A 54 -4.027 -0.238 13.442 1.00 0.00 N ATOM 186 NH2 ARG A 54 -3.589 1.960 13.058 1.00 0.00 N ATOM 0 H ARG A 54 -9.117 2.009 8.015 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.268 1.557 7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.469 1.817 9.702 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.753 0.626 9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.189 -1.148 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.899 0.025 8.844 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.277 -0.669 11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.719 -1.285 10.972 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.739 1.613 10.918 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.425 -1.127 13.141 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.557 -0.169 14.345 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.647 2.782 12.457 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.121 2.022 13.962 1.00 0.00 H new ATOM 200 N LEU A 55 -6.868 -0.625 6.173 1.00 0.00 N ATOM 201 CA LEU A 55 -7.230 -1.758 5.305 1.00 0.00 C ATOM 202 C LEU A 55 -6.049 -2.764 5.337 1.00 0.00 C ATOM 203 O LEU A 55 -4.883 -2.357 5.352 1.00 0.00 O ATOM 204 CB LEU A 55 -7.533 -1.193 3.866 1.00 0.00 C ATOM 205 CG LEU A 55 -8.399 -2.055 2.872 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.783 -1.222 1.625 1.00 0.00 C ATOM 207 CD2 LEU A 55 -7.692 -3.350 2.424 1.00 0.00 C ATOM 0 H LEU A 55 -5.894 -0.338 6.074 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.124 -2.285 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.033 -0.232 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.576 -0.996 3.382 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.295 -2.344 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.381 -1.833 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.361 -0.351 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.878 -0.895 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.339 -3.900 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.760 -3.099 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.477 -3.968 3.296 1.00 0.00 H new ATOM 219 N PHE A 56 -6.367 -4.069 5.387 1.00 0.00 N ATOM 220 CA PHE A 56 -5.378 -5.171 5.407 1.00 0.00 C ATOM 221 C PHE A 56 -5.452 -5.927 4.060 1.00 0.00 C ATOM 222 O PHE A 56 -6.550 -6.094 3.513 1.00 0.00 O ATOM 223 CB PHE A 56 -5.693 -6.171 6.564 1.00 0.00 C ATOM 224 CG PHE A 56 -5.717 -5.586 7.981 1.00 0.00 C ATOM 225 CD1 PHE A 56 -6.797 -4.827 8.430 1.00 0.00 C ATOM 226 CD2 PHE A 56 -4.662 -5.807 8.867 1.00 0.00 C ATOM 227 CE1 PHE A 56 -6.821 -4.311 9.710 1.00 0.00 C ATOM 228 CE2 PHE A 56 -4.690 -5.290 10.149 1.00 0.00 C ATOM 229 CZ PHE A 56 -5.767 -4.539 10.567 1.00 0.00 C ATOM 0 H PHE A 56 -7.332 -4.397 5.415 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.383 -4.753 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.663 -6.628 6.366 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.952 -6.970 6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.628 -4.640 7.766 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.811 -6.390 8.547 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.668 -3.727 10.040 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.867 -5.475 10.823 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.785 -4.129 11.566 1.00 0.00 H new ATOM 239 N GLY A 57 -4.307 -6.390 3.537 1.00 0.00 N ATOM 240 CA GLY A 57 -4.280 -7.188 2.301 1.00 0.00 C ATOM 241 C GLY A 57 -2.884 -7.662 1.943 1.00 0.00 C ATOM 242 O GLY A 57 -1.950 -7.479 2.721 1.00 0.00 O ATOM 0 H GLY A 57 -3.389 -6.226 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.935 -8.052 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.679 -6.593 1.480 1.00 0.00 H new ATOM 246 N THR A 58 -2.752 -8.287 0.760 1.00 0.00 N ATOM 247 CA THR A 58 -1.461 -8.768 0.226 1.00 0.00 C ATOM 248 C THR A 58 -1.065 -7.949 -1.013 1.00 0.00 C ATOM 249 O THR A 58 -1.893 -7.700 -1.891 1.00 0.00 O ATOM 250 CB THR A 58 -1.538 -10.286 -0.140 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.964 -11.022 1.009 1.00 0.00 O ATOM 252 CG2 THR A 58 -0.192 -10.856 -0.631 1.00 0.00 C ATOM 0 H THR A 58 -3.541 -8.475 0.142 1.00 0.00 H new ATOM 0 HA THR A 58 -0.703 -8.640 0.999 1.00 0.00 H new ATOM 0 HB THR A 58 -2.249 -10.385 -0.960 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.016 -11.975 0.786 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.310 -11.913 -0.869 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.128 -10.317 -1.522 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.558 -10.742 0.151 1.00 0.00 H new ATOM 260 N VAL A 59 0.203 -7.532 -1.050 1.00 0.00 N ATOM 261 CA VAL A 59 0.783 -6.750 -2.150 1.00 0.00 C ATOM 262 C VAL A 59 0.872 -7.601 -3.424 1.00 0.00 C ATOM 263 O VAL A 59 1.481 -8.680 -3.404 1.00 0.00 O ATOM 264 CB VAL A 59 2.223 -6.238 -1.764 1.00 0.00 C ATOM 265 CG1 VAL A 59 2.885 -5.433 -2.909 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.174 -5.413 -0.462 1.00 0.00 C ATOM 0 H VAL A 59 0.869 -7.731 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 59 0.135 -5.893 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 59 2.846 -7.116 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.875 -5.102 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.977 -6.065 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.270 -4.565 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.177 -5.068 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.519 -4.553 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.791 -6.034 0.348 1.00 0.00 H new ATOM 276 N ALA A 60 0.245 -7.134 -4.506 1.00 0.00 N ATOM 277 CA ALA A 60 0.397 -7.745 -5.827 1.00 0.00 C ATOM 278 C ALA A 60 1.616 -7.143 -6.533 1.00 0.00 C ATOM 279 O ALA A 60 1.934 -5.962 -6.358 1.00 0.00 O ATOM 280 CB ALA A 60 -0.876 -7.550 -6.658 1.00 0.00 C ATOM 0 H ALA A 60 -0.378 -6.327 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 60 0.556 -8.817 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.745 -8.011 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.719 -8.016 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.070 -6.485 -6.781 1.00 0.00 H new ATOM 286 N ALA A 61 2.285 -7.971 -7.342 1.00 0.00 N ATOM 287 CA ALA A 61 3.397 -7.542 -8.200 1.00 0.00 C ATOM 288 C ALA A 61 2.840 -6.921 -9.498 1.00 0.00 C ATOM 289 O ALA A 61 3.579 -6.311 -10.281 1.00 0.00 O ATOM 290 CB ALA A 61 4.321 -8.729 -8.510 1.00 0.00 C ATOM 0 H ALA A 61 2.069 -8.965 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 61 3.985 -6.788 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.140 -8.396 -9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.724 -9.129 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.755 -9.506 -9.024 1.00 0.00 H new ATOM 296 N ASP A 62 1.516 -7.096 -9.702 1.00 0.00 N ATOM 297 CA ASP A 62 0.784 -6.604 -10.872 1.00 0.00 C ATOM 298 C ASP A 62 0.597 -5.082 -10.773 1.00 0.00 C ATOM 299 O ASP A 62 -0.050 -4.589 -9.831 1.00 0.00 O ATOM 300 CB ASP A 62 -0.605 -7.293 -10.966 1.00 0.00 C ATOM 301 CG ASP A 62 -0.531 -8.825 -10.911 1.00 0.00 C ATOM 302 OD1 ASP A 62 -0.259 -9.455 -11.952 1.00 0.00 O ATOM 303 OD2 ASP A 62 -0.732 -9.405 -9.820 1.00 0.00 O ATOM 0 H ASP A 62 0.921 -7.594 -9.040 1.00 0.00 H new ATOM 0 HA ASP A 62 1.360 -6.839 -11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.234 -6.938 -10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.089 -6.993 -11.896 1.00 0.00 H new ATOM 308 N GLY A 63 1.194 -4.353 -11.727 1.00 0.00 N ATOM 309 CA GLY A 63 1.118 -2.891 -11.763 1.00 0.00 C ATOM 310 C GLY A 63 1.993 -2.204 -10.716 1.00 0.00 C ATOM 311 O GLY A 63 1.887 -0.983 -10.519 1.00 0.00 O ATOM 0 H GLY A 63 1.738 -4.759 -12.488 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.413 -2.545 -12.754 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.082 -2.586 -11.614 1.00 0.00 H new ATOM 315 N LEU A 64 2.866 -2.984 -10.043 1.00 0.00 N ATOM 316 CA LEU A 64 3.751 -2.459 -8.998 1.00 0.00 C ATOM 317 C LEU A 64 4.847 -1.625 -9.682 1.00 0.00 C ATOM 318 O LEU A 64 5.705 -2.162 -10.392 1.00 0.00 O ATOM 319 CB LEU A 64 4.340 -3.613 -8.124 1.00 0.00 C ATOM 320 CG LEU A 64 4.802 -3.228 -6.664 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.030 -4.479 -5.801 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.048 -2.312 -6.636 1.00 0.00 C ATOM 0 H LEU A 64 2.972 -3.984 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 64 3.193 -1.823 -8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.589 -4.400 -8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.194 -4.038 -8.651 1.00 0.00 H new ATOM 0 HG LEU A 64 3.982 -2.651 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.347 -4.179 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.102 -5.047 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.802 -5.099 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.311 -2.087 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.883 -2.818 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.830 -1.385 -7.165 1.00 0.00 H new ATOM 334 N THR A 65 4.775 -0.313 -9.456 1.00 0.00 N ATOM 335 CA THR A 65 5.662 0.696 -10.040 1.00 0.00 C ATOM 336 C THR A 65 6.157 1.634 -8.930 1.00 0.00 C ATOM 337 O THR A 65 5.360 2.142 -8.146 1.00 0.00 O ATOM 338 CB THR A 65 4.913 1.518 -11.154 1.00 0.00 C ATOM 339 OG1 THR A 65 3.578 1.817 -10.714 1.00 0.00 O ATOM 340 CG2 THR A 65 4.840 0.761 -12.491 1.00 0.00 C ATOM 0 H THR A 65 4.072 0.092 -8.838 1.00 0.00 H new ATOM 0 HA THR A 65 6.513 0.198 -10.504 1.00 0.00 H new ATOM 0 HB THR A 65 5.481 2.433 -11.318 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.112 2.330 -11.407 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.314 1.370 -13.226 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.849 0.553 -12.847 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.305 -0.178 -12.349 1.00 0.00 H new ATOM 348 N MET A 66 7.479 1.860 -8.880 1.00 0.00 N ATOM 349 CA MET A 66 8.102 2.765 -7.897 1.00 0.00 C ATOM 350 C MET A 66 8.028 4.185 -8.464 1.00 0.00 C ATOM 351 O MET A 66 8.280 4.373 -9.665 1.00 0.00 O ATOM 352 CB MET A 66 9.583 2.370 -7.623 1.00 0.00 C ATOM 353 CG MET A 66 9.796 0.900 -7.228 1.00 0.00 C ATOM 354 SD MET A 66 8.884 0.401 -5.753 1.00 0.00 S ATOM 355 CE MET A 66 9.638 1.410 -4.469 1.00 0.00 C ATOM 0 H MET A 66 8.146 1.423 -9.517 1.00 0.00 H new ATOM 0 HA MET A 66 7.572 2.699 -6.947 1.00 0.00 H new ATOM 0 HB2 MET A 66 10.172 2.580 -8.516 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.972 3.005 -6.828 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.498 0.263 -8.061 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.859 0.729 -7.061 1.00 0.00 H new ATOM 0 HE1 MET A 66 9.252 1.108 -3.495 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.719 1.275 -4.488 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.400 2.459 -4.644 1.00 0.00 H new ATOM 365 N LEU A 67 7.665 5.168 -7.619 1.00 0.00 N ATOM 366 CA LEU A 67 7.586 6.577 -8.033 1.00 0.00 C ATOM 367 C LEU A 67 9.004 7.068 -8.431 1.00 0.00 C ATOM 368 O LEU A 67 9.900 7.157 -7.592 1.00 0.00 O ATOM 369 CB LEU A 67 6.952 7.427 -6.896 1.00 0.00 C ATOM 370 CG LEU A 67 5.510 6.998 -6.442 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.980 7.899 -5.304 1.00 0.00 C ATOM 372 CD2 LEU A 67 4.534 6.961 -7.642 1.00 0.00 C ATOM 0 H LEU A 67 7.421 5.009 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 67 6.941 6.687 -8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.611 7.389 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.915 8.466 -7.223 1.00 0.00 H new ATOM 0 HG LEU A 67 5.578 5.986 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.981 7.572 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.646 7.829 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.939 8.933 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.544 6.661 -7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.476 7.951 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.893 6.245 -8.381 1.00 0.00 H new ATOM 384 N ASP A 68 9.186 7.332 -9.738 1.00 0.00 N ATOM 385 CA ASP A 68 10.505 7.553 -10.370 1.00 0.00 C ATOM 386 C ASP A 68 11.095 8.907 -9.932 1.00 0.00 C ATOM 387 O ASP A 68 10.572 9.968 -10.296 1.00 0.00 O ATOM 388 CB ASP A 68 10.352 7.477 -11.921 1.00 0.00 C ATOM 389 CG ASP A 68 11.669 7.697 -12.692 1.00 0.00 C ATOM 390 OD1 ASP A 68 12.477 6.748 -12.795 1.00 0.00 O ATOM 391 OD2 ASP A 68 11.914 8.823 -13.193 1.00 0.00 O ATOM 0 H ASP A 68 8.410 7.399 -10.397 1.00 0.00 H new ATOM 0 HA ASP A 68 11.198 6.776 -10.048 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.945 6.502 -12.188 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.626 8.224 -12.241 1.00 0.00 H new ATOM 396 N GLY A 69 12.164 8.850 -9.120 1.00 0.00 N ATOM 397 CA GLY A 69 12.834 10.053 -8.610 1.00 0.00 C ATOM 398 C GLY A 69 12.035 10.769 -7.519 1.00 0.00 C ATOM 399 O GLY A 69 12.225 11.970 -7.285 1.00 0.00 O ATOM 0 H GLY A 69 12.583 7.976 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.811 9.777 -8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.008 10.742 -9.436 1.00 0.00 H new ATOM 403 N ALA A 70 11.142 10.020 -6.860 1.00 0.00 N ATOM 404 CA ALA A 70 10.283 10.516 -5.772 1.00 0.00 C ATOM 405 C ALA A 70 10.079 9.387 -4.741 1.00 0.00 C ATOM 406 O ALA A 70 9.697 8.279 -5.134 1.00 0.00 O ATOM 407 CB ALA A 70 8.936 11.000 -6.340 1.00 0.00 C ATOM 0 H ALA A 70 10.992 9.033 -7.070 1.00 0.00 H new ATOM 0 HA ALA A 70 10.759 11.363 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.308 11.365 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.110 11.806 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.435 10.173 -6.842 1.00 0.00 H new ATOM 413 N PRO A 71 10.355 9.625 -3.415 1.00 0.00 N ATOM 414 CA PRO A 71 10.196 8.582 -2.372 1.00 0.00 C ATOM 415 C PRO A 71 8.734 8.105 -2.262 1.00 0.00 C ATOM 416 O PRO A 71 7.869 8.872 -1.849 1.00 0.00 O ATOM 417 CB PRO A 71 10.676 9.281 -1.065 1.00 0.00 C ATOM 418 CG PRO A 71 11.491 10.447 -1.535 1.00 0.00 C ATOM 419 CD PRO A 71 10.848 10.898 -2.830 1.00 0.00 C ATOM 0 HA PRO A 71 10.767 7.680 -2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.832 9.607 -0.457 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.270 8.605 -0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.490 11.249 -0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.531 10.160 -1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.036 11.603 -2.654 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.564 11.394 -3.486 1.00 0.00 H new ATOM 427 N GLY A 72 8.473 6.868 -2.699 1.00 0.00 N ATOM 428 CA GLY A 72 7.138 6.283 -2.629 1.00 0.00 C ATOM 429 C GLY A 72 6.990 5.079 -3.546 1.00 0.00 C ATOM 430 O GLY A 72 7.908 4.754 -4.316 1.00 0.00 O ATOM 0 H GLY A 72 9.177 6.253 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.928 5.984 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.398 7.037 -2.899 1.00 0.00 H new ATOM 434 N VAL A 73 5.820 4.424 -3.472 1.00 0.00 N ATOM 435 CA VAL A 73 5.523 3.207 -4.243 1.00 0.00 C ATOM 436 C VAL A 73 4.037 3.173 -4.643 1.00 0.00 C ATOM 437 O VAL A 73 3.170 3.704 -3.939 1.00 0.00 O ATOM 438 CB VAL A 73 5.909 1.899 -3.437 1.00 0.00 C ATOM 439 CG1 VAL A 73 5.112 1.766 -2.112 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.769 0.624 -4.313 1.00 0.00 C ATOM 0 H VAL A 73 5.051 4.725 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 73 6.131 3.231 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 73 6.960 1.999 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.413 0.854 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.318 2.627 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.045 1.724 -2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.042 -0.253 -3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.738 0.527 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.429 0.702 -5.177 1.00 0.00 H new ATOM 450 N ARG A 74 3.776 2.558 -5.793 1.00 0.00 N ATOM 451 CA ARG A 74 2.435 2.299 -6.307 1.00 0.00 C ATOM 452 C ARG A 74 2.298 0.787 -6.556 1.00 0.00 C ATOM 453 O ARG A 74 3.230 0.156 -7.048 1.00 0.00 O ATOM 454 CB ARG A 74 2.208 3.092 -7.623 1.00 0.00 C ATOM 455 CG ARG A 74 0.784 2.967 -8.202 1.00 0.00 C ATOM 456 CD ARG A 74 -0.297 3.538 -7.272 1.00 0.00 C ATOM 457 NE ARG A 74 -1.641 3.390 -7.851 1.00 0.00 N ATOM 458 CZ ARG A 74 -2.426 4.391 -8.278 1.00 0.00 C ATOM 459 NH1 ARG A 74 -2.057 5.666 -8.143 1.00 0.00 N ATOM 460 NH2 ARG A 74 -3.588 4.104 -8.834 1.00 0.00 N ATOM 0 H ARG A 74 4.513 2.216 -6.410 1.00 0.00 H new ATOM 0 HA ARG A 74 1.684 2.623 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.422 4.145 -7.440 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.923 2.746 -8.370 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.741 3.485 -9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.569 1.917 -8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.256 3.028 -6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.096 4.592 -7.083 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.009 2.442 -7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.163 5.895 -7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.669 6.412 -8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.879 3.132 -8.934 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.195 4.855 -9.163 1.00 0.00 H new ATOM 474 N PHE A 75 1.147 0.222 -6.179 1.00 0.00 N ATOM 475 CA PHE A 75 0.802 -1.188 -6.435 1.00 0.00 C ATOM 476 C PHE A 75 -0.711 -1.352 -6.336 1.00 0.00 C ATOM 477 O PHE A 75 -1.413 -0.388 -6.043 1.00 0.00 O ATOM 478 CB PHE A 75 1.541 -2.148 -5.448 1.00 0.00 C ATOM 479 CG PHE A 75 1.294 -1.901 -3.948 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.979 -0.892 -3.263 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.405 -2.696 -3.222 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.778 -0.687 -1.906 1.00 0.00 C ATOM 483 CE2 PHE A 75 0.212 -2.493 -1.869 1.00 0.00 C ATOM 484 CZ PHE A 75 0.895 -1.492 -1.211 1.00 0.00 C ATOM 0 H PHE A 75 0.418 0.733 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 75 1.131 -1.459 -7.438 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.246 -3.171 -5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.612 -2.074 -5.636 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.675 -0.263 -3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.140 -3.481 -3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.311 0.100 -1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.477 -3.121 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.740 -1.337 -0.153 1.00 0.00 H new ATOM 494 N ARG A 76 -1.226 -2.556 -6.626 1.00 0.00 N ATOM 495 CA ARG A 76 -2.638 -2.884 -6.373 1.00 0.00 C ATOM 496 C ARG A 76 -2.694 -3.926 -5.246 1.00 0.00 C ATOM 497 O ARG A 76 -1.895 -4.872 -5.219 1.00 0.00 O ATOM 498 CB ARG A 76 -3.375 -3.344 -7.666 1.00 0.00 C ATOM 499 CG ARG A 76 -2.987 -4.727 -8.236 1.00 0.00 C ATOM 500 CD ARG A 76 -3.748 -5.049 -9.544 1.00 0.00 C ATOM 501 NE ARG A 76 -3.635 -6.472 -9.938 1.00 0.00 N ATOM 502 CZ ARG A 76 -4.182 -7.016 -11.038 1.00 0.00 C ATOM 503 NH1 ARG A 76 -4.899 -6.280 -11.873 1.00 0.00 N ATOM 504 NH2 ARG A 76 -4.007 -8.307 -11.284 1.00 0.00 N ATOM 0 H ARG A 76 -0.687 -3.319 -7.036 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.174 -1.990 -6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.446 -3.349 -7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.201 -2.597 -8.440 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.914 -4.753 -8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.199 -5.497 -7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.800 -4.794 -9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.361 -4.422 -10.348 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.100 -7.088 -9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.041 -5.288 -11.685 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.309 -6.705 -12.705 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.461 -8.879 -10.640 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.419 -8.728 -12.117 1.00 0.00 H new ATOM 518 N LEU A 77 -3.606 -3.719 -4.291 1.00 0.00 N ATOM 519 CA LEU A 77 -3.685 -4.533 -3.068 1.00 0.00 C ATOM 520 C LEU A 77 -4.807 -5.566 -3.200 1.00 0.00 C ATOM 521 O LEU A 77 -5.976 -5.202 -3.397 1.00 0.00 O ATOM 522 CB LEU A 77 -3.938 -3.649 -1.816 1.00 0.00 C ATOM 523 CG LEU A 77 -3.775 -4.389 -0.452 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.304 -4.767 -0.219 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.326 -3.565 0.724 1.00 0.00 C ATOM 0 H LEU A 77 -4.311 -2.984 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.729 -5.041 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.250 -2.804 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.947 -3.241 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.367 -5.303 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.208 -5.282 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.966 -5.423 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.694 -3.864 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.191 -4.120 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.791 -2.617 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.387 -3.373 0.568 1.00 0.00 H new ATOM 537 N GLU A 78 -4.439 -6.844 -3.092 1.00 0.00 N ATOM 538 CA GLU A 78 -5.387 -7.956 -3.132 1.00 0.00 C ATOM 539 C GLU A 78 -6.053 -8.114 -1.758 1.00 0.00 C ATOM 540 O GLU A 78 -5.457 -8.666 -0.822 1.00 0.00 O ATOM 541 CB GLU A 78 -4.671 -9.249 -3.569 1.00 0.00 C ATOM 542 CG GLU A 78 -3.924 -9.117 -4.903 1.00 0.00 C ATOM 543 CD GLU A 78 -3.411 -10.455 -5.442 1.00 0.00 C ATOM 544 OE1 GLU A 78 -2.341 -10.922 -4.995 1.00 0.00 O ATOM 545 OE2 GLU A 78 -4.081 -11.052 -6.319 1.00 0.00 O ATOM 0 H GLU A 78 -3.469 -7.137 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.166 -7.748 -3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.963 -9.542 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.405 -10.051 -3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.588 -8.666 -5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.082 -8.437 -4.775 1.00 0.00 H new ATOM 552 N ASP A 79 -7.261 -7.548 -1.639 1.00 0.00 N ATOM 553 CA ASP A 79 -8.089 -7.639 -0.423 1.00 0.00 C ATOM 554 C ASP A 79 -9.145 -8.755 -0.573 1.00 0.00 C ATOM 555 O ASP A 79 -9.602 -9.053 -1.680 1.00 0.00 O ATOM 556 CB ASP A 79 -8.747 -6.259 -0.133 1.00 0.00 C ATOM 557 CG ASP A 79 -9.730 -6.278 1.053 1.00 0.00 C ATOM 558 OD1 ASP A 79 -9.321 -6.672 2.173 1.00 0.00 O ATOM 559 OD2 ASP A 79 -10.911 -5.922 0.873 1.00 0.00 O ATOM 0 H ASP A 79 -7.697 -7.010 -2.388 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.459 -7.900 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.964 -5.528 0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.275 -5.924 -1.026 1.00 0.00 H new ATOM 564 N LYS A 80 -9.509 -9.362 0.567 1.00 0.00 N ATOM 565 CA LYS A 80 -10.416 -10.529 0.634 1.00 0.00 C ATOM 566 C LYS A 80 -11.884 -10.088 0.837 1.00 0.00 C ATOM 567 O LYS A 80 -12.813 -10.823 0.488 1.00 0.00 O ATOM 568 CB LYS A 80 -9.966 -11.497 1.788 1.00 0.00 C ATOM 569 CG LYS A 80 -10.369 -11.115 3.248 1.00 0.00 C ATOM 570 CD LYS A 80 -9.795 -9.762 3.752 1.00 0.00 C ATOM 571 CE LYS A 80 -8.249 -9.711 3.799 1.00 0.00 C ATOM 572 NZ LYS A 80 -7.754 -8.370 4.190 1.00 0.00 N ATOM 0 H LYS A 80 -9.180 -9.056 1.483 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.358 -11.060 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.372 -12.486 1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.880 -11.583 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.457 -11.078 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.037 -11.907 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.155 -8.963 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.185 -9.563 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.882 -10.454 4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.847 -9.976 2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.289 -7.921 3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.554 -7.782 4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.072 -8.465 4.969 1.00 0.00 H new ATOM 586 N ASP A 81 -12.071 -8.885 1.412 1.00 0.00 N ATOM 587 CA ASP A 81 -13.392 -8.381 1.838 1.00 0.00 C ATOM 588 C ASP A 81 -14.182 -7.843 0.635 1.00 0.00 C ATOM 589 O ASP A 81 -15.400 -8.040 0.548 1.00 0.00 O ATOM 590 CB ASP A 81 -13.203 -7.292 2.933 1.00 0.00 C ATOM 591 CG ASP A 81 -14.520 -6.713 3.485 1.00 0.00 C ATOM 592 OD1 ASP A 81 -15.181 -7.394 4.303 1.00 0.00 O ATOM 593 OD2 ASP A 81 -14.900 -5.579 3.109 1.00 0.00 O ATOM 0 H ASP A 81 -11.308 -8.233 1.595 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.972 -9.200 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.633 -7.718 3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.607 -6.478 2.521 1.00 0.00 H new ATOM 598 N ASN A 82 -13.471 -7.180 -0.296 1.00 0.00 N ATOM 599 CA ASN A 82 -14.081 -6.626 -1.523 1.00 0.00 C ATOM 600 C ASN A 82 -14.275 -7.728 -2.563 1.00 0.00 C ATOM 601 O ASN A 82 -13.418 -8.609 -2.694 1.00 0.00 O ATOM 602 CB ASN A 82 -13.268 -5.408 -2.071 1.00 0.00 C ATOM 603 CG ASN A 82 -11.879 -5.686 -2.677 1.00 0.00 C ATOM 604 OD1 ASN A 82 -11.227 -6.788 -2.328 1.00 0.00 O flip ATOM 605 ND2 ASN A 82 -11.404 -4.900 -3.498 1.00 0.00 N flip ATOM 0 H ASN A 82 -12.467 -7.013 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.069 -6.237 -1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.873 -4.916 -2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.141 -4.696 -1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.919 -4.058 -3.755 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.496 -5.091 -3.921 1.00 0.00 H new ATOM 612 N THR A 83 -15.423 -7.666 -3.276 1.00 0.00 N ATOM 613 CA THR A 83 -15.932 -8.761 -4.127 1.00 0.00 C ATOM 614 C THR A 83 -15.070 -8.967 -5.388 1.00 0.00 C ATOM 615 O THR A 83 -15.343 -8.421 -6.462 1.00 0.00 O ATOM 616 CB THR A 83 -17.470 -8.567 -4.471 1.00 0.00 C ATOM 617 OG1 THR A 83 -17.928 -9.573 -5.399 1.00 0.00 O ATOM 618 CG2 THR A 83 -17.798 -7.171 -5.039 1.00 0.00 C ATOM 0 H THR A 83 -16.027 -6.844 -3.275 1.00 0.00 H new ATOM 0 HA THR A 83 -15.850 -9.681 -3.549 1.00 0.00 H new ATOM 0 HB THR A 83 -17.994 -8.670 -3.521 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.878 -9.431 -5.592 1.00 0.00 H new ATOM 0 HG21 THR A 83 -18.865 -7.106 -5.252 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.527 -6.408 -4.309 1.00 0.00 H new ATOM 0 HG23 THR A 83 -17.234 -7.010 -5.958 1.00 0.00 H new ATOM 626 N SER A 84 -13.958 -9.698 -5.172 1.00 0.00 N ATOM 627 CA SER A 84 -13.055 -10.182 -6.234 1.00 0.00 C ATOM 628 C SER A 84 -12.472 -8.979 -7.002 1.00 0.00 C ATOM 629 O SER A 84 -12.776 -8.746 -8.180 1.00 0.00 O ATOM 630 CB SER A 84 -13.776 -11.196 -7.172 1.00 0.00 C ATOM 631 OG SER A 84 -12.865 -11.841 -8.051 1.00 0.00 O ATOM 0 H SER A 84 -13.657 -9.973 -4.237 1.00 0.00 H new ATOM 0 HA SER A 84 -12.226 -10.726 -5.781 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.292 -11.944 -6.570 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.536 -10.675 -7.754 1.00 0.00 H new ATOM 0 HG SER A 84 -13.352 -12.470 -8.623 1.00 0.00 H new ATOM 637 N LYS A 85 -11.658 -8.202 -6.284 1.00 0.00 N ATOM 638 CA LYS A 85 -11.213 -6.874 -6.726 1.00 0.00 C ATOM 639 C LYS A 85 -9.928 -6.480 -5.983 1.00 0.00 C ATOM 640 O LYS A 85 -9.662 -6.976 -4.874 1.00 0.00 O ATOM 641 CB LYS A 85 -12.367 -5.862 -6.475 1.00 0.00 C ATOM 642 CG LYS A 85 -12.118 -4.419 -6.957 1.00 0.00 C ATOM 643 CD LYS A 85 -13.332 -3.497 -6.689 1.00 0.00 C ATOM 644 CE LYS A 85 -13.146 -2.074 -7.249 1.00 0.00 C ATOM 645 NZ LYS A 85 -12.952 -2.078 -8.726 1.00 0.00 N ATOM 0 H LYS A 85 -11.286 -8.476 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.979 -6.877 -7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.266 -6.237 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.574 -5.836 -5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.239 -4.016 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.898 -4.427 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.223 -3.942 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.506 -3.438 -5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -14.018 -1.469 -6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.285 -1.606 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.017 -1.105 -9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.015 -2.470 -8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.688 -2.662 -9.171 1.00 0.00 H new ATOM 659 N THR A 86 -9.120 -5.614 -6.618 1.00 0.00 N ATOM 660 CA THR A 86 -7.900 -5.052 -6.023 1.00 0.00 C ATOM 661 C THR A 86 -8.011 -3.517 -5.972 1.00 0.00 C ATOM 662 O THR A 86 -8.416 -2.883 -6.954 1.00 0.00 O ATOM 663 CB THR A 86 -6.620 -5.468 -6.828 1.00 0.00 C ATOM 664 OG1 THR A 86 -6.741 -5.058 -8.198 1.00 0.00 O ATOM 665 CG2 THR A 86 -6.363 -6.983 -6.777 1.00 0.00 C ATOM 0 H THR A 86 -9.299 -5.283 -7.566 1.00 0.00 H new ATOM 0 HA THR A 86 -7.802 -5.450 -5.013 1.00 0.00 H new ATOM 0 HB THR A 86 -5.774 -4.967 -6.357 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.313 -4.264 -8.253 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.466 -7.219 -7.349 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.225 -7.294 -5.741 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.215 -7.511 -7.204 1.00 0.00 H new ATOM 673 N VAL A 87 -7.653 -2.936 -4.821 1.00 0.00 N ATOM 674 CA VAL A 87 -7.650 -1.476 -4.606 1.00 0.00 C ATOM 675 C VAL A 87 -6.197 -0.988 -4.692 1.00 0.00 C ATOM 676 O VAL A 87 -5.356 -1.454 -3.925 1.00 0.00 O ATOM 677 CB VAL A 87 -8.248 -1.091 -3.191 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.293 0.456 -2.984 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.645 -1.734 -2.996 1.00 0.00 C ATOM 0 H VAL A 87 -7.354 -3.467 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.273 -1.005 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.583 -1.492 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.709 0.680 -2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.284 0.862 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.918 0.908 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.039 -1.458 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.321 -1.378 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.558 -2.819 -3.059 1.00 0.00 H new ATOM 689 N TRP A 88 -5.906 -0.034 -5.595 1.00 0.00 N ATOM 690 CA TRP A 88 -4.531 0.484 -5.782 1.00 0.00 C ATOM 691 C TRP A 88 -4.105 1.273 -4.544 1.00 0.00 C ATOM 692 O TRP A 88 -4.911 1.972 -3.962 1.00 0.00 O ATOM 693 CB TRP A 88 -4.438 1.387 -7.037 1.00 0.00 C ATOM 694 CG TRP A 88 -4.552 0.658 -8.352 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.693 0.297 -8.996 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.471 0.227 -9.187 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.392 -0.332 -10.173 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.034 -0.396 -10.307 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.083 0.297 -9.088 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.261 -0.933 -11.330 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.313 -0.236 -10.096 1.00 0.00 C ATOM 702 CH2 TRP A 88 -1.907 -0.857 -11.203 1.00 0.00 C ATOM 0 H TRP A 88 -6.600 0.395 -6.207 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.863 -0.365 -5.925 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.226 2.139 -6.985 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.487 1.919 -7.014 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.693 0.480 -8.631 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.071 -0.694 -10.842 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.618 0.763 -8.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.717 -1.394 -12.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.237 -0.175 -10.033 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.279 -1.284 -11.971 1.00 0.00 H new ATOM 713 N VAL A 89 -2.861 1.110 -4.109 1.00 0.00 N ATOM 714 CA VAL A 89 -2.305 1.855 -2.984 1.00 0.00 C ATOM 715 C VAL A 89 -1.245 2.821 -3.513 1.00 0.00 C ATOM 716 O VAL A 89 -0.187 2.395 -3.994 1.00 0.00 O ATOM 717 CB VAL A 89 -1.692 0.897 -1.915 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.129 1.684 -0.701 1.00 0.00 C ATOM 719 CG2 VAL A 89 -2.731 -0.160 -1.475 1.00 0.00 C ATOM 0 H VAL A 89 -2.204 0.452 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.104 2.413 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.852 0.374 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.710 0.985 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.349 2.366 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.932 2.254 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.286 -0.819 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.599 0.340 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.041 -0.747 -2.339 1.00 0.00 H new ATOM 729 N LEU A 90 -1.577 4.116 -3.475 1.00 0.00 N ATOM 730 CA LEU A 90 -0.641 5.194 -3.783 1.00 0.00 C ATOM 731 C LEU A 90 -0.020 5.665 -2.460 1.00 0.00 C ATOM 732 O LEU A 90 -0.626 6.447 -1.710 1.00 0.00 O ATOM 733 CB LEU A 90 -1.356 6.363 -4.525 1.00 0.00 C ATOM 734 CG LEU A 90 -0.452 7.571 -4.949 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.735 7.118 -5.828 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.284 8.672 -5.649 1.00 0.00 C ATOM 0 H LEU A 90 -2.511 4.444 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 90 0.140 4.836 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.831 5.961 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.152 6.740 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.032 7.998 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.337 7.985 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.349 6.409 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.357 6.640 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.631 9.497 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.755 8.260 -6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.053 9.035 -4.968 1.00 0.00 H new ATOM 748 N TYR A 91 1.164 5.114 -2.160 1.00 0.00 N ATOM 749 CA TYR A 91 1.950 5.471 -0.975 1.00 0.00 C ATOM 750 C TYR A 91 3.034 6.487 -1.375 1.00 0.00 C ATOM 751 O TYR A 91 3.810 6.238 -2.294 1.00 0.00 O ATOM 752 CB TYR A 91 2.602 4.217 -0.326 1.00 0.00 C ATOM 753 CG TYR A 91 3.570 4.558 0.827 1.00 0.00 C ATOM 754 CD1 TYR A 91 3.099 5.174 1.990 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.946 4.302 0.740 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.955 5.515 3.016 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.803 4.633 1.771 1.00 0.00 C ATOM 758 CZ TYR A 91 5.305 5.246 2.905 1.00 0.00 C ATOM 759 OH TYR A 91 6.165 5.595 3.924 1.00 0.00 O ATOM 0 H TYR A 91 1.606 4.401 -2.740 1.00 0.00 H new ATOM 0 HA TYR A 91 1.282 5.913 -0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.817 3.562 0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.142 3.660 -1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.045 5.387 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.343 3.837 -0.150 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.570 5.992 3.905 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.858 4.414 1.691 1.00 0.00 H new ATOM 0 HH TYR A 91 7.076 5.319 3.692 1.00 0.00 H new ATOM 769 N LYS A 92 3.043 7.639 -0.691 1.00 0.00 N ATOM 770 CA LYS A 92 4.117 8.643 -0.775 1.00 0.00 C ATOM 771 C LYS A 92 4.881 8.663 0.561 1.00 0.00 C ATOM 772 O LYS A 92 4.290 8.480 1.629 1.00 0.00 O ATOM 773 CB LYS A 92 3.491 10.022 -1.107 1.00 0.00 C ATOM 774 CG LYS A 92 2.771 10.047 -2.477 1.00 0.00 C ATOM 775 CD LYS A 92 1.893 11.301 -2.666 1.00 0.00 C ATOM 776 CE LYS A 92 1.207 11.346 -4.041 1.00 0.00 C ATOM 777 NZ LYS A 92 2.177 11.550 -5.144 1.00 0.00 N ATOM 0 H LYS A 92 2.293 7.906 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 92 4.826 8.397 -1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.781 10.290 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.273 10.781 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.514 10.005 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.150 9.156 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.133 11.328 -1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.509 12.192 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.664 10.415 -4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.472 12.151 -4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.666 11.625 -6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.714 12.425 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.833 10.744 -5.183 1.00 0.00 H new ATOM 791 N GLY A 93 6.195 8.856 0.480 1.00 0.00 N ATOM 792 CA GLY A 93 7.096 8.803 1.637 1.00 0.00 C ATOM 793 C GLY A 93 8.109 7.679 1.488 1.00 0.00 C ATOM 794 O GLY A 93 7.981 6.849 0.574 1.00 0.00 O ATOM 0 H GLY A 93 6.673 9.056 -0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.617 9.755 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.516 8.656 2.548 1.00 0.00 H new ATOM 798 N ALA A 94 9.110 7.645 2.383 1.00 0.00 N ATOM 799 CA ALA A 94 10.179 6.628 2.357 1.00 0.00 C ATOM 800 C ALA A 94 9.596 5.207 2.536 1.00 0.00 C ATOM 801 O ALA A 94 8.884 4.940 3.514 1.00 0.00 O ATOM 802 CB ALA A 94 11.227 6.931 3.437 1.00 0.00 C ATOM 0 H ALA A 94 9.203 8.319 3.143 1.00 0.00 H new ATOM 0 HA ALA A 94 10.666 6.666 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.010 6.173 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.665 7.912 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.752 6.923 4.418 1.00 0.00 H new ATOM 808 N VAL A 95 9.911 4.315 1.579 1.00 0.00 N ATOM 809 CA VAL A 95 9.340 2.956 1.509 1.00 0.00 C ATOM 810 C VAL A 95 10.057 2.023 2.515 1.00 0.00 C ATOM 811 O VAL A 95 11.290 2.007 2.546 1.00 0.00 O ATOM 812 CB VAL A 95 9.460 2.366 0.041 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.813 0.960 -0.064 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.839 3.336 -0.999 1.00 0.00 C ATOM 0 H VAL A 95 10.572 4.517 0.829 1.00 0.00 H new ATOM 0 HA VAL A 95 8.283 3.017 1.769 1.00 0.00 H new ATOM 0 HB VAL A 95 10.522 2.258 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.914 0.588 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.313 0.277 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.756 1.026 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.934 2.909 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.785 3.490 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.362 4.292 -0.962 1.00 0.00 H new ATOM 824 N PRO A 96 9.297 1.274 3.391 1.00 0.00 N ATOM 825 CA PRO A 96 9.893 0.277 4.320 1.00 0.00 C ATOM 826 C PRO A 96 10.660 -0.829 3.558 1.00 0.00 C ATOM 827 O PRO A 96 10.203 -1.294 2.511 1.00 0.00 O ATOM 828 CB PRO A 96 8.662 -0.299 5.088 1.00 0.00 C ATOM 829 CG PRO A 96 7.480 0.032 4.223 1.00 0.00 C ATOM 830 CD PRO A 96 7.817 1.351 3.564 1.00 0.00 C ATOM 0 HA PRO A 96 10.633 0.719 4.987 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.756 -1.375 5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.567 0.150 6.076 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.308 -0.746 3.479 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.569 0.111 4.817 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.305 1.467 2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.527 2.198 4.186 1.00 0.00 H new ATOM 838 N ASP A 97 11.839 -1.216 4.084 1.00 0.00 N ATOM 839 CA ASP A 97 12.695 -2.268 3.478 1.00 0.00 C ATOM 840 C ASP A 97 12.044 -3.659 3.572 1.00 0.00 C ATOM 841 O ASP A 97 12.300 -4.524 2.730 1.00 0.00 O ATOM 842 CB ASP A 97 14.119 -2.263 4.111 1.00 0.00 C ATOM 843 CG ASP A 97 14.132 -2.344 5.650 1.00 0.00 C ATOM 844 OD1 ASP A 97 13.955 -3.444 6.206 1.00 0.00 O ATOM 845 OD2 ASP A 97 14.313 -1.298 6.314 1.00 0.00 O ATOM 0 H ASP A 97 12.228 -0.813 4.937 1.00 0.00 H new ATOM 0 HA ASP A 97 12.799 -2.035 2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.684 -3.104 3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.637 -1.355 3.803 1.00 0.00 H new ATOM 850 N THR A 98 11.195 -3.855 4.595 1.00 0.00 N ATOM 851 CA THR A 98 10.430 -5.110 4.777 1.00 0.00 C ATOM 852 C THR A 98 9.296 -5.246 3.718 1.00 0.00 C ATOM 853 O THR A 98 8.755 -6.348 3.511 1.00 0.00 O ATOM 854 CB THR A 98 9.846 -5.197 6.230 1.00 0.00 C ATOM 855 OG1 THR A 98 9.102 -6.421 6.420 1.00 0.00 O ATOM 856 CG2 THR A 98 8.961 -3.979 6.560 1.00 0.00 C ATOM 0 H THR A 98 11.017 -3.156 5.317 1.00 0.00 H new ATOM 0 HA THR A 98 11.119 -5.942 4.631 1.00 0.00 H new ATOM 0 HB THR A 98 10.693 -5.195 6.916 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.176 -6.207 6.659 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.574 -4.074 7.575 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.553 -3.067 6.482 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.129 -3.933 5.857 1.00 0.00 H new ATOM 864 N PHE A 99 8.944 -4.116 3.050 1.00 0.00 N ATOM 865 CA PHE A 99 7.976 -4.107 1.932 1.00 0.00 C ATOM 866 C PHE A 99 8.591 -4.801 0.708 1.00 0.00 C ATOM 867 O PHE A 99 9.760 -4.567 0.376 1.00 0.00 O ATOM 868 CB PHE A 99 7.533 -2.662 1.567 1.00 0.00 C ATOM 869 CG PHE A 99 6.641 -2.570 0.323 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.282 -2.856 0.396 1.00 0.00 C ATOM 871 CD2 PHE A 99 7.173 -2.227 -0.925 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.490 -2.795 -0.728 1.00 0.00 C ATOM 873 CE2 PHE A 99 6.377 -2.169 -2.045 1.00 0.00 C ATOM 874 CZ PHE A 99 5.033 -2.455 -1.947 1.00 0.00 C ATOM 0 H PHE A 99 9.322 -3.195 3.272 1.00 0.00 H new ATOM 0 HA PHE A 99 7.087 -4.651 2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.999 -2.233 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.422 -2.051 1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.844 -3.129 1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.226 -2.004 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.435 -3.015 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.805 -1.900 -2.999 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.406 -2.413 -2.825 1.00 0.00 H new ATOM 884 N LYS A 100 7.776 -5.634 0.046 1.00 0.00 N ATOM 885 CA LYS A 100 8.184 -6.431 -1.117 1.00 0.00 C ATOM 886 C LYS A 100 6.921 -6.949 -1.851 1.00 0.00 C ATOM 887 O LYS A 100 5.850 -7.036 -1.235 1.00 0.00 O ATOM 888 CB LYS A 100 9.095 -7.604 -0.638 1.00 0.00 C ATOM 889 CG LYS A 100 8.501 -8.429 0.524 1.00 0.00 C ATOM 890 CD LYS A 100 9.490 -9.447 1.112 1.00 0.00 C ATOM 891 CE LYS A 100 8.941 -10.181 2.344 1.00 0.00 C ATOM 892 NZ LYS A 100 9.923 -11.161 2.855 1.00 0.00 N ATOM 0 H LYS A 100 6.800 -5.774 0.308 1.00 0.00 H new ATOM 0 HA LYS A 100 8.755 -5.822 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.287 -8.269 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.058 -7.198 -0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.176 -7.751 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.615 -8.956 0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.747 -10.178 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.412 -8.933 1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.701 -9.460 3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.013 -10.691 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.641 -11.470 3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.956 -11.983 2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.864 -10.719 2.899 1.00 0.00 H new ATOM 906 N PRO A 101 7.009 -7.272 -3.181 1.00 0.00 N ATOM 907 CA PRO A 101 5.885 -7.888 -3.929 1.00 0.00 C ATOM 908 C PRO A 101 5.513 -9.263 -3.340 1.00 0.00 C ATOM 909 O PRO A 101 6.327 -10.184 -3.383 1.00 0.00 O ATOM 910 CB PRO A 101 6.433 -8.015 -5.388 1.00 0.00 C ATOM 911 CG PRO A 101 7.592 -7.068 -5.451 1.00 0.00 C ATOM 912 CD PRO A 101 8.190 -7.058 -4.066 1.00 0.00 C ATOM 0 HA PRO A 101 4.970 -7.298 -3.879 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.746 -9.036 -5.605 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.669 -7.753 -6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.324 -7.394 -6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.266 -6.070 -5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.933 -7.846 -3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.689 -6.113 -3.850 1.00 0.00 H new ATOM 920 N GLY A 102 4.311 -9.373 -2.750 1.00 0.00 N ATOM 921 CA GLY A 102 3.804 -10.646 -2.222 1.00 0.00 C ATOM 922 C GLY A 102 3.708 -10.689 -0.705 1.00 0.00 C ATOM 923 O GLY A 102 3.181 -11.663 -0.161 1.00 0.00 O ATOM 0 H GLY A 102 3.670 -8.589 -2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.817 -10.836 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.455 -11.453 -2.558 1.00 0.00 H new ATOM 927 N VAL A 103 4.202 -9.644 -0.004 1.00 0.00 N ATOM 928 CA VAL A 103 4.087 -9.572 1.473 1.00 0.00 C ATOM 929 C VAL A 103 2.709 -8.995 1.836 1.00 0.00 C ATOM 930 O VAL A 103 2.129 -8.227 1.066 1.00 0.00 O ATOM 931 CB VAL A 103 5.231 -8.701 2.136 1.00 0.00 C ATOM 932 CG1 VAL A 103 5.074 -7.181 1.841 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.341 -8.967 3.663 1.00 0.00 C ATOM 0 H VAL A 103 4.678 -8.848 -0.429 1.00 0.00 H new ATOM 0 HA VAL A 103 4.198 -10.583 1.866 1.00 0.00 H new ATOM 0 HB VAL A 103 6.165 -9.018 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.885 -6.632 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.108 -7.014 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.119 -6.831 2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.137 -8.352 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.396 -8.717 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.568 -10.019 3.834 1.00 0.00 H new ATOM 943 N GLU A 104 2.176 -9.379 2.994 1.00 0.00 N ATOM 944 CA GLU A 104 0.978 -8.756 3.545 1.00 0.00 C ATOM 945 C GLU A 104 1.363 -7.406 4.159 1.00 0.00 C ATOM 946 O GLU A 104 2.471 -7.254 4.685 1.00 0.00 O ATOM 947 CB GLU A 104 0.338 -9.681 4.596 1.00 0.00 C ATOM 948 CG GLU A 104 -0.224 -10.999 4.029 1.00 0.00 C ATOM 949 CD GLU A 104 -0.815 -11.912 5.115 1.00 0.00 C ATOM 950 OE1 GLU A 104 -1.880 -11.568 5.674 1.00 0.00 O ATOM 951 OE2 GLU A 104 -0.198 -12.951 5.447 1.00 0.00 O ATOM 0 H GLU A 104 2.561 -10.126 3.572 1.00 0.00 H new ATOM 0 HA GLU A 104 0.244 -8.592 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.083 -9.916 5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.468 -9.142 5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.995 -10.773 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.570 -11.532 3.506 1.00 0.00 H new ATOM 958 N VAL A 105 0.455 -6.434 4.050 1.00 0.00 N ATOM 959 CA VAL A 105 0.631 -5.070 4.585 1.00 0.00 C ATOM 960 C VAL A 105 -0.644 -4.585 5.287 1.00 0.00 C ATOM 961 O VAL A 105 -1.752 -5.063 5.012 1.00 0.00 O ATOM 962 CB VAL A 105 1.043 -4.017 3.472 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.476 -4.267 2.943 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.015 -3.975 2.314 1.00 0.00 C ATOM 0 H VAL A 105 -0.441 -6.569 3.581 1.00 0.00 H new ATOM 0 HA VAL A 105 1.449 -5.136 5.303 1.00 0.00 H new ATOM 0 HB VAL A 105 1.040 -3.037 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.718 -3.524 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.186 -4.189 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.534 -5.264 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.332 -3.242 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.049 -4.958 1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.963 -3.695 2.706 1.00 0.00 H new ATOM 974 N ILE A 106 -0.441 -3.651 6.218 1.00 0.00 N ATOM 975 CA ILE A 106 -1.482 -2.835 6.822 1.00 0.00 C ATOM 976 C ILE A 106 -1.297 -1.429 6.236 1.00 0.00 C ATOM 977 O ILE A 106 -0.310 -0.746 6.547 1.00 0.00 O ATOM 978 CB ILE A 106 -1.330 -2.779 8.391 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.277 -4.213 9.000 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.458 -1.931 9.033 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.075 -4.275 10.508 1.00 0.00 C ATOM 0 H ILE A 106 0.488 -3.439 6.581 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.469 -3.248 6.613 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.383 -2.289 8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.205 -4.729 8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.469 -4.764 8.519 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.327 -1.911 10.115 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.415 -0.914 8.643 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.426 -2.371 8.793 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.053 -5.316 10.830 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.132 -3.794 10.769 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.895 -3.759 11.007 1.00 0.00 H new ATOM 993 N ILE A 107 -2.214 -1.023 5.356 1.00 0.00 N ATOM 994 CA ILE A 107 -2.207 0.323 4.753 1.00 0.00 C ATOM 995 C ILE A 107 -3.166 1.205 5.552 1.00 0.00 C ATOM 996 O ILE A 107 -4.213 0.739 6.017 1.00 0.00 O ATOM 997 CB ILE A 107 -2.612 0.299 3.222 1.00 0.00 C ATOM 998 CG1 ILE A 107 -4.075 -0.215 3.018 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.606 -0.549 2.410 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.601 -0.162 1.595 1.00 0.00 C ATOM 0 H ILE A 107 -2.983 -1.612 5.038 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.194 0.723 4.793 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.577 1.324 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.130 -1.246 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.738 0.373 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.899 -0.555 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.608 -0.121 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.600 -1.570 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.622 -0.542 1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.588 0.869 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.970 -0.775 0.951 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.790 2.470 5.735 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.570 3.421 6.525 1.00 0.00 C ATOM 1014 C GLU A 108 -3.414 4.828 5.939 1.00 0.00 C ATOM 1015 O GLU A 108 -2.324 5.204 5.511 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.142 3.360 8.017 1.00 0.00 C ATOM 1017 CG GLU A 108 -3.858 4.380 8.915 1.00 0.00 C ATOM 1018 CD GLU A 108 -3.762 4.066 10.410 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -2.661 4.161 10.986 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -4.788 3.704 11.014 1.00 0.00 O ATOM 0 H GLU A 108 -1.936 2.864 5.340 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.626 3.156 6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.334 2.357 8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.067 3.525 8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.436 5.368 8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.909 4.425 8.630 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.530 5.569 5.909 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.610 6.898 5.314 1.00 0.00 C ATOM 1029 C GLY A 109 -6.061 7.278 5.097 1.00 0.00 C ATOM 1030 O GLY A 109 -6.772 7.569 6.064 1.00 0.00 O ATOM 0 H GLY A 109 -5.414 5.251 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.127 7.627 5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.075 6.914 4.365 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.512 7.247 3.838 1.00 0.00 N ATOM 1035 CA GLY A 110 -7.916 7.450 3.509 1.00 0.00 C ATOM 1036 C GLY A 110 -8.217 7.088 2.068 1.00 0.00 C ATOM 1037 O GLY A 110 -7.301 6.967 1.241 1.00 0.00 O ATOM 0 H GLY A 110 -5.914 7.081 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.535 6.846 4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.183 8.492 3.685 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.506 6.911 1.774 1.00 0.00 N ATOM 1042 CA LEU A 111 -10.010 6.634 0.419 1.00 0.00 C ATOM 1043 C LEU A 111 -11.234 7.529 0.164 1.00 0.00 C ATOM 1044 O LEU A 111 -12.135 7.622 1.006 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.355 5.121 0.273 1.00 0.00 C ATOM 1046 CG LEU A 111 -10.925 4.640 -1.106 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -10.041 5.093 -2.282 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -11.127 3.101 -1.116 1.00 0.00 C ATOM 0 H LEU A 111 -10.243 6.956 2.477 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.248 6.860 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.452 4.548 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.081 4.865 1.045 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.899 5.111 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.472 4.739 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.985 6.181 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.039 4.680 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.523 2.792 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.171 2.607 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.829 2.821 -0.330 1.00 0.00 H new ATOM 1060 N ALA A 112 -11.234 8.198 -0.994 1.00 0.00 N ATOM 1061 CA ALA A 112 -12.305 9.130 -1.391 1.00 0.00 C ATOM 1062 C ALA A 112 -13.227 8.465 -2.431 1.00 0.00 C ATOM 1063 O ALA A 112 -12.749 7.643 -3.220 1.00 0.00 O ATOM 1064 CB ALA A 112 -11.697 10.429 -1.941 1.00 0.00 C ATOM 0 H ALA A 112 -10.491 8.111 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.905 9.380 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.497 11.111 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -11.082 10.897 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.080 10.202 -2.810 1.00 0.00 H new ATOM 1070 N PRO A 113 -14.572 8.792 -2.438 1.00 0.00 N ATOM 1071 CA PRO A 113 -15.529 8.293 -3.465 1.00 0.00 C ATOM 1072 C PRO A 113 -15.052 8.577 -4.908 1.00 0.00 C ATOM 1073 O PRO A 113 -15.204 7.738 -5.800 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.841 9.057 -3.146 1.00 0.00 C ATOM 1075 CG PRO A 113 -16.737 9.368 -1.684 1.00 0.00 C ATOM 1076 CD PRO A 113 -15.271 9.638 -1.425 1.00 0.00 C ATOM 0 HA PRO A 113 -15.642 7.210 -3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.928 9.966 -3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.719 8.449 -3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -17.346 10.234 -1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -17.094 8.534 -1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -15.030 10.694 -1.550 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.987 9.364 -0.409 1.00 0.00 H new ATOM 1084 N GLY A 114 -14.435 9.761 -5.099 1.00 0.00 N ATOM 1085 CA GLY A 114 -13.929 10.199 -6.405 1.00 0.00 C ATOM 1086 C GLY A 114 -12.483 9.778 -6.670 1.00 0.00 C ATOM 1087 O GLY A 114 -11.691 10.568 -7.207 1.00 0.00 O ATOM 0 H GLY A 114 -14.276 10.435 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.567 9.791 -7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.001 11.285 -6.468 1.00 0.00 H new ATOM 1091 N GLU A 115 -12.148 8.529 -6.289 1.00 0.00 N ATOM 1092 CA GLU A 115 -10.843 7.901 -6.598 1.00 0.00 C ATOM 1093 C GLU A 115 -10.896 6.381 -6.330 1.00 0.00 C ATOM 1094 O GLU A 115 -11.542 5.916 -5.382 1.00 0.00 O ATOM 1095 CB GLU A 115 -9.654 8.558 -5.824 1.00 0.00 C ATOM 1096 CG GLU A 115 -9.585 8.273 -4.321 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.388 8.947 -3.618 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -7.273 8.968 -4.193 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -8.557 9.475 -2.501 1.00 0.00 O ATOM 0 H GLU A 115 -12.774 7.924 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.656 8.070 -7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.722 8.223 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.708 9.637 -5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.509 8.613 -3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.527 7.196 -4.166 1.00 0.00 H new ATOM 1106 N ASP A 116 -10.225 5.620 -7.206 1.00 0.00 N ATOM 1107 CA ASP A 116 -10.117 4.153 -7.109 1.00 0.00 C ATOM 1108 C ASP A 116 -8.964 3.752 -6.180 1.00 0.00 C ATOM 1109 O ASP A 116 -9.014 2.700 -5.533 1.00 0.00 O ATOM 1110 CB ASP A 116 -9.890 3.545 -8.515 1.00 0.00 C ATOM 1111 CG ASP A 116 -11.018 3.888 -9.500 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -12.014 3.138 -9.572 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -10.920 4.926 -10.193 1.00 0.00 O ATOM 0 H ASP A 116 -9.735 6.008 -8.012 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.048 3.768 -6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -8.943 3.907 -8.914 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.806 2.462 -8.428 1.00 0.00 H new ATOM 1118 N THR A 117 -7.922 4.599 -6.122 1.00 0.00 N ATOM 1119 CA THR A 117 -6.701 4.292 -5.364 1.00 0.00 C ATOM 1120 C THR A 117 -6.829 4.807 -3.923 1.00 0.00 C ATOM 1121 O THR A 117 -7.288 5.927 -3.693 1.00 0.00 O ATOM 1122 CB THR A 117 -5.403 4.878 -6.044 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.212 4.455 -5.338 1.00 0.00 O ATOM 1124 CG2 THR A 117 -5.414 6.407 -6.136 1.00 0.00 C ATOM 0 H THR A 117 -7.903 5.504 -6.593 1.00 0.00 H new ATOM 0 HA THR A 117 -6.592 3.207 -5.354 1.00 0.00 H new ATOM 0 HB THR A 117 -5.395 4.482 -7.060 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.815 5.223 -4.877 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.495 6.749 -6.613 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.271 6.730 -6.727 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.483 6.831 -5.134 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.448 3.960 -2.969 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.325 4.314 -1.560 1.00 0.00 C ATOM 1134 C PHE A 118 -5.045 5.139 -1.374 1.00 0.00 C ATOM 1135 O PHE A 118 -3.963 4.723 -1.807 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.261 3.016 -0.705 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.165 3.245 0.805 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -4.932 3.360 1.452 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -7.316 3.331 1.576 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -4.863 3.559 2.813 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -7.240 3.531 2.932 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.018 3.643 3.553 1.00 0.00 C ATOM 0 H PHE A 118 -6.211 2.987 -3.161 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.186 4.901 -1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.148 2.418 -0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.400 2.430 -1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.020 3.292 0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.283 3.239 1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -3.902 3.649 3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -8.146 3.601 3.515 1.00 0.00 H new ATOM 0 HZ PHE A 118 -5.966 3.797 4.621 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.185 6.308 -0.755 1.00 0.00 N ATOM 1153 CA LYS A 119 -4.053 7.150 -0.379 1.00 0.00 C ATOM 1154 C LYS A 119 -3.502 6.660 0.972 1.00 0.00 C ATOM 1155 O LYS A 119 -4.133 6.857 2.015 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.488 8.638 -0.316 1.00 0.00 C ATOM 1157 CG LYS A 119 -3.424 9.608 0.247 1.00 0.00 C ATOM 1158 CD LYS A 119 -2.061 9.546 -0.490 1.00 0.00 C ATOM 1159 CE LYS A 119 -0.986 10.383 0.223 1.00 0.00 C ATOM 1160 NZ LYS A 119 -0.794 9.958 1.635 1.00 0.00 N ATOM 0 H LYS A 119 -6.091 6.700 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.263 7.078 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.760 8.964 -1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.386 8.712 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.810 10.626 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.265 9.385 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.730 8.509 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.184 9.906 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.042 10.293 -0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.269 11.435 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.067 10.400 2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.615 10.253 2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.699 8.923 1.676 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.344 5.976 0.930 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.650 5.505 2.131 1.00 0.00 C ATOM 1176 C ALA A 120 -0.802 6.640 2.699 1.00 0.00 C ATOM 1177 O ALA A 120 0.148 7.105 2.045 1.00 0.00 O ATOM 1178 CB ALA A 120 -0.783 4.269 1.818 1.00 0.00 C ATOM 0 H ALA A 120 -1.868 5.737 0.060 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.387 5.204 2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.278 3.939 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.417 3.466 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.040 4.527 1.064 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.199 7.128 3.884 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.420 8.101 4.664 1.00 0.00 C ATOM 1186 C ARG A 121 0.858 7.413 5.181 1.00 0.00 C ATOM 1187 O ARG A 121 1.928 8.018 5.237 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.291 8.671 5.840 1.00 0.00 C ATOM 1189 CG ARG A 121 -1.318 7.834 7.156 1.00 0.00 C ATOM 1190 CD ARG A 121 -2.461 8.218 8.121 1.00 0.00 C ATOM 1191 NE ARG A 121 -2.560 9.668 8.343 1.00 0.00 N ATOM 1192 CZ ARG A 121 -3.385 10.262 9.218 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -4.053 9.556 10.119 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -3.501 11.580 9.200 1.00 0.00 N ATOM 0 H ARG A 121 -2.075 6.857 4.331 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.131 8.945 4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.929 9.671 6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.315 8.780 5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.411 6.778 6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.365 7.955 7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.406 7.852 7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.305 7.719 9.077 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.953 10.270 7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.944 8.542 10.156 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.676 10.026 10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.967 12.130 8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.124 12.046 9.859 1.00 0.00 H new ATOM 1208 N THR A 122 0.709 6.117 5.520 1.00 0.00 N ATOM 1209 CA THR A 122 1.777 5.266 6.049 1.00 0.00 C ATOM 1210 C THR A 122 1.640 3.854 5.449 1.00 0.00 C ATOM 1211 O THR A 122 0.520 3.402 5.153 1.00 0.00 O ATOM 1212 CB THR A 122 1.726 5.176 7.618 1.00 0.00 C ATOM 1213 OG1 THR A 122 0.390 4.822 8.040 1.00 0.00 O ATOM 1214 CG2 THR A 122 2.147 6.491 8.306 1.00 0.00 C ATOM 0 H THR A 122 -0.181 5.628 5.429 1.00 0.00 H new ATOM 0 HA THR A 122 2.734 5.708 5.771 1.00 0.00 H new ATOM 0 HB THR A 122 2.440 4.409 7.918 1.00 0.00 H new ATOM 0 HG1 THR A 122 0.360 4.765 9.018 1.00 0.00 H new ATOM 0 HG21 THR A 122 2.092 6.369 9.388 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.169 6.740 8.020 1.00 0.00 H new ATOM 0 HG23 THR A 122 1.478 7.294 7.997 1.00 0.00 H new ATOM 1222 N LEU A 123 2.782 3.174 5.275 1.00 0.00 N ATOM 1223 CA LEU A 123 2.851 1.800 4.760 1.00 0.00 C ATOM 1224 C LEU A 123 3.669 0.956 5.738 1.00 0.00 C ATOM 1225 O LEU A 123 4.848 1.239 5.970 1.00 0.00 O ATOM 1226 CB LEU A 123 3.510 1.789 3.359 1.00 0.00 C ATOM 1227 CG LEU A 123 3.592 0.412 2.626 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.190 -0.122 2.270 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.503 0.507 1.386 1.00 0.00 C ATOM 0 H LEU A 123 3.697 3.569 5.491 1.00 0.00 H new ATOM 0 HA LEU A 123 1.847 1.386 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.961 2.481 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.522 2.181 3.457 1.00 0.00 H new ATOM 0 HG LEU A 123 4.040 -0.309 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.284 -1.081 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.607 -0.251 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.686 0.588 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.546 -0.463 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.102 1.249 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.506 0.802 1.693 1.00 0.00 H new ATOM 1241 N MET A 124 3.025 -0.052 6.319 1.00 0.00 N ATOM 1242 CA MET A 124 3.656 -1.018 7.236 1.00 0.00 C ATOM 1243 C MET A 124 3.262 -2.424 6.790 1.00 0.00 C ATOM 1244 O MET A 124 2.170 -2.608 6.273 1.00 0.00 O ATOM 1245 CB MET A 124 3.190 -0.749 8.701 1.00 0.00 C ATOM 1246 CG MET A 124 3.801 -1.680 9.767 1.00 0.00 C ATOM 1247 SD MET A 124 3.193 -1.347 11.429 1.00 0.00 S ATOM 1248 CE MET A 124 1.427 -1.611 11.258 1.00 0.00 C ATOM 0 H MET A 124 2.032 -0.230 6.168 1.00 0.00 H new ATOM 0 HA MET A 124 4.741 -0.915 7.209 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.434 0.281 8.959 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.105 -0.839 8.742 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.580 -2.715 9.506 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.886 -1.573 9.755 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.065 -2.203 12.098 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.915 -0.649 11.245 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.227 -2.141 10.327 1.00 0.00 H new ATOM 1258 N THR A 125 4.163 -3.400 6.954 1.00 0.00 N ATOM 1259 CA THR A 125 3.887 -4.810 6.619 1.00 0.00 C ATOM 1260 C THR A 125 3.325 -5.562 7.839 1.00 0.00 C ATOM 1261 O THR A 125 3.432 -5.099 8.982 1.00 0.00 O ATOM 1262 CB THR A 125 5.181 -5.528 6.096 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.204 -5.508 7.109 1.00 0.00 O ATOM 1264 CG2 THR A 125 5.711 -4.865 4.812 1.00 0.00 C ATOM 0 H THR A 125 5.101 -3.240 7.321 1.00 0.00 H new ATOM 0 HA THR A 125 3.140 -4.821 5.826 1.00 0.00 H new ATOM 0 HB THR A 125 4.917 -6.560 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 125 6.224 -6.372 7.570 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.607 -5.386 4.477 1.00 0.00 H new ATOM 0 HG22 THR A 125 4.949 -4.917 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.953 -3.822 5.014 1.00 0.00 H new ATOM 1272 N LYS A 126 2.720 -6.731 7.568 1.00 0.00 N ATOM 1273 CA LYS A 126 2.252 -7.679 8.597 1.00 0.00 C ATOM 1274 C LYS A 126 3.362 -8.712 8.905 1.00 0.00 C ATOM 1275 O LYS A 126 3.121 -9.710 9.589 1.00 0.00 O ATOM 1276 CB LYS A 126 0.955 -8.380 8.099 1.00 0.00 C ATOM 1277 CG LYS A 126 -0.228 -7.419 7.868 1.00 0.00 C ATOM 1278 CD LYS A 126 -1.537 -8.096 7.377 1.00 0.00 C ATOM 1279 CE LYS A 126 -2.201 -9.056 8.396 1.00 0.00 C ATOM 1280 NZ LYS A 126 -1.490 -10.359 8.540 1.00 0.00 N ATOM 0 H LYS A 126 2.539 -7.049 6.616 1.00 0.00 H new ATOM 0 HA LYS A 126 2.025 -7.143 9.519 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.172 -8.903 7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 126 0.660 -9.135 8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -0.436 -6.893 8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.071 -6.668 7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.254 -7.318 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.320 -8.652 6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.245 -8.566 9.369 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -3.229 -9.245 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.179 -11.137 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.802 -10.467 7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.992 -10.384 9.453 1.00 0.00 H new ATOM 1294 N CYS A 127 4.579 -8.454 8.396 1.00 0.00 N ATOM 1295 CA CYS A 127 5.765 -9.301 8.599 1.00 0.00 C ATOM 1296 C CYS A 127 6.815 -8.520 9.414 1.00 0.00 C ATOM 1297 O CYS A 127 6.933 -7.301 9.236 1.00 0.00 O ATOM 1298 CB CYS A 127 6.354 -9.711 7.226 1.00 0.00 C ATOM 1299 SG CYS A 127 7.892 -10.650 7.335 1.00 0.00 S ATOM 0 H CYS A 127 4.769 -7.634 7.820 1.00 0.00 H new ATOM 0 HA CYS A 127 5.484 -10.202 9.145 1.00 0.00 H new ATOM 0 HB2 CYS A 127 5.615 -10.305 6.689 1.00 0.00 H new ATOM 0 HB3 CYS A 127 6.531 -8.812 6.635 1.00 0.00 H new ATOM 0 HG CYS A 127 8.788 -10.106 6.566 1.00 0.00 H new ATOM 1305 N PRO A 128 7.595 -9.191 10.325 1.00 0.00 N ATOM 1306 CA PRO A 128 8.691 -8.529 11.082 1.00 0.00 C ATOM 1307 C PRO A 128 9.917 -8.191 10.180 1.00 0.00 C ATOM 1308 O PRO A 128 9.877 -8.366 8.950 1.00 0.00 O ATOM 1309 CB PRO A 128 9.045 -9.581 12.171 1.00 0.00 C ATOM 1310 CG PRO A 128 8.692 -10.898 11.544 1.00 0.00 C ATOM 1311 CD PRO A 128 7.456 -10.628 10.710 1.00 0.00 C ATOM 0 HA PRO A 128 8.396 -7.564 11.495 1.00 0.00 H new ATOM 0 HB2 PRO A 128 10.101 -9.538 12.437 1.00 0.00 H new ATOM 0 HB3 PRO A 128 8.478 -9.412 13.087 1.00 0.00 H new ATOM 0 HG2 PRO A 128 9.509 -11.271 10.926 1.00 0.00 H new ATOM 0 HG3 PRO A 128 8.496 -11.655 12.304 1.00 0.00 H new ATOM 0 HD2 PRO A 128 7.415 -11.275 9.834 1.00 0.00 H new ATOM 0 HD3 PRO A 128 6.543 -10.804 11.279 1.00 0.00 H new ATOM 1319 N LEU A 129 11.002 -7.705 10.819 1.00 0.00 N ATOM 1320 CA LEU A 129 12.269 -7.376 10.134 1.00 0.00 C ATOM 1321 C LEU A 129 12.968 -8.662 9.642 1.00 0.00 C ATOM 1322 O LEU A 129 13.210 -9.579 10.434 1.00 0.00 O ATOM 1323 CB LEU A 129 13.206 -6.569 11.085 1.00 0.00 C ATOM 1324 CG LEU A 129 12.664 -5.184 11.581 1.00 0.00 C ATOM 1325 CD1 LEU A 129 13.659 -4.509 12.557 1.00 0.00 C ATOM 1326 CD2 LEU A 129 12.311 -4.258 10.390 1.00 0.00 C ATOM 0 H LEU A 129 11.024 -7.530 11.824 1.00 0.00 H new ATOM 0 HA LEU A 129 12.044 -6.757 9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 129 13.421 -7.185 11.958 1.00 0.00 H new ATOM 0 HB3 LEU A 129 14.153 -6.402 10.572 1.00 0.00 H new ATOM 0 HG LEU A 129 11.742 -5.366 12.133 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.255 -3.551 12.883 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.812 -5.152 13.424 1.00 0.00 H new ATOM 0 HD13 LEU A 129 14.612 -4.348 12.052 1.00 0.00 H new ATOM 0 HD21 LEU A 129 11.938 -3.306 10.767 1.00 0.00 H new ATOM 0 HD22 LEU A 129 13.202 -4.085 9.787 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.544 -4.731 9.777 1.00 0.00 H new ATOM 1338 N GLU A 130 13.228 -8.714 8.326 1.00 0.00 N ATOM 1339 CA GLU A 130 13.924 -9.823 7.642 1.00 0.00 C ATOM 1340 C GLU A 130 15.315 -10.100 8.284 1.00 0.00 C ATOM 1341 O GLU A 130 15.475 -11.123 8.985 1.00 0.00 O ATOM 1342 CB GLU A 130 14.076 -9.473 6.131 1.00 0.00 C ATOM 1343 CG GLU A 130 12.761 -9.110 5.400 1.00 0.00 C ATOM 1344 CD GLU A 130 11.743 -10.260 5.336 1.00 0.00 C ATOM 1345 OE1 GLU A 130 12.056 -11.297 4.716 1.00 0.00 O ATOM 1346 OE2 GLU A 130 10.613 -10.121 5.860 1.00 0.00 O ATOM 0 H GLU A 130 12.954 -7.967 7.688 1.00 0.00 H new ATOM 0 HA GLU A 130 13.332 -10.732 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 130 14.768 -8.636 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 130 14.532 -10.322 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 130 12.301 -8.259 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 130 12.998 -8.791 4.385 1.00 0.00 H new TER 1353 GLU A 130