USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 824 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 51 THR OG1 : rot -57:sc= 1.82 USER MOD Set 1.2: A 55 THR OG1 : rot -45:sc= 1.27 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0229 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00477 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.795 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 155:sc= -1.15 USER MOD Single : A 17 THR OG1 : rot 38:sc= 0.209 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 160:sc= -0.943 USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= -0.0538 (180deg=-0.38) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -50:sc= -1.67 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.942 USER MOD Single : A 69 TYR OH : rot 74:sc= 0.0487 USER MOD Single : A 73 TYR OH : rot -123:sc= -0.0235 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.869 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -40:sc= 1.1 USER MOD Single : A 81 TYR OH : rot -7:sc= 1.21 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.0211 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 95 SER OG : rot -98:sc= -1.28 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 107 THR OG1 : rot 66:sc= -0.481 USER MOD Single : A 115 ASN : amide:sc= -0.18 K(o=-0.18,f=-2!) USER MOD Single : A 117 CYS SG : rot 22:sc= 0.0669 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.663 -29.895 -16.789 1.00 0.00 N ATOM 2 CA GLY A 1 9.709 -30.072 -15.710 1.00 0.00 C ATOM 3 C GLY A 1 8.292 -29.731 -16.125 1.00 0.00 C ATOM 4 O GLY A 1 7.921 -29.902 -17.286 1.00 0.00 O ATOM 0 H1 GLY A 1 11.248 -30.750 -16.879 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.153 -29.730 -17.680 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.273 -29.078 -16.583 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.744 -31.105 -15.364 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.998 -29.444 -14.867 1.00 0.00 H new ATOM 8 N SER A 2 7.497 -29.250 -15.174 1.00 0.00 N ATOM 9 CA SER A 2 6.111 -28.890 -15.447 1.00 0.00 C ATOM 10 C SER A 2 5.766 -27.543 -14.819 1.00 0.00 C ATOM 11 O SER A 2 5.656 -27.424 -13.599 1.00 0.00 O ATOM 12 CB SER A 2 5.167 -29.969 -14.914 1.00 0.00 C ATOM 13 OG SER A 2 5.543 -31.252 -15.383 1.00 0.00 O ATOM 0 H SER A 2 7.789 -29.101 -14.208 1.00 0.00 H new ATOM 0 HA SER A 2 5.988 -28.811 -16.527 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.177 -29.959 -13.824 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.146 -29.749 -15.225 1.00 0.00 H new ATOM 0 HG SER A 2 4.925 -31.924 -15.027 1.00 0.00 H new ATOM 19 N SER A 3 5.599 -26.529 -15.663 1.00 0.00 N ATOM 20 CA SER A 3 5.271 -25.188 -15.193 1.00 0.00 C ATOM 21 C SER A 3 3.831 -25.126 -14.693 1.00 0.00 C ATOM 22 O SER A 3 2.886 -25.121 -15.482 1.00 0.00 O ATOM 23 CB SER A 3 5.478 -24.167 -16.313 1.00 0.00 C ATOM 24 OG SER A 3 6.803 -23.666 -16.307 1.00 0.00 O ATOM 0 H SER A 3 5.686 -26.611 -16.676 1.00 0.00 H new ATOM 0 HA SER A 3 5.937 -24.947 -14.364 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.266 -24.631 -17.276 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.774 -23.344 -16.194 1.00 0.00 H new ATOM 0 HG SER A 3 6.910 -23.017 -17.033 1.00 0.00 H new ATOM 30 N GLY A 4 3.671 -25.078 -13.373 1.00 0.00 N ATOM 31 CA GLY A 4 2.344 -25.016 -12.789 1.00 0.00 C ATOM 32 C GLY A 4 2.378 -25.015 -11.274 1.00 0.00 C ATOM 33 O GLY A 4 2.570 -26.059 -10.649 1.00 0.00 O ATOM 0 H GLY A 4 4.436 -25.081 -12.699 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.838 -24.116 -13.139 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.757 -25.867 -13.136 1.00 0.00 H new ATOM 37 N SER A 5 2.190 -23.840 -10.680 1.00 0.00 N ATOM 38 CA SER A 5 2.205 -23.707 -9.228 1.00 0.00 C ATOM 39 C SER A 5 1.542 -24.910 -8.565 1.00 0.00 C ATOM 40 O SER A 5 0.722 -25.596 -9.175 1.00 0.00 O ATOM 41 CB SER A 5 1.494 -22.421 -8.805 1.00 0.00 C ATOM 42 OG SER A 5 1.538 -22.251 -7.399 1.00 0.00 O ATOM 0 H SER A 5 2.026 -22.967 -11.182 1.00 0.00 H new ATOM 0 HA SER A 5 3.244 -23.663 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.962 -21.566 -9.292 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.457 -22.449 -9.138 1.00 0.00 H new ATOM 0 HG SER A 5 1.078 -21.421 -7.155 1.00 0.00 H new ATOM 48 N SER A 6 1.904 -25.160 -7.310 1.00 0.00 N ATOM 49 CA SER A 6 1.348 -26.283 -6.564 1.00 0.00 C ATOM 50 C SER A 6 0.020 -25.900 -5.918 1.00 0.00 C ATOM 51 O SER A 6 -0.013 -25.344 -4.821 1.00 0.00 O ATOM 52 CB SER A 6 2.334 -26.749 -5.491 1.00 0.00 C ATOM 53 OG SER A 6 1.991 -28.036 -5.008 1.00 0.00 O ATOM 0 H SER A 6 2.579 -24.600 -6.789 1.00 0.00 H new ATOM 0 HA SER A 6 1.171 -27.100 -7.263 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.343 -26.769 -5.904 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.341 -26.037 -4.665 1.00 0.00 H new ATOM 0 HG SER A 6 2.637 -28.312 -4.325 1.00 0.00 H new ATOM 59 N GLY A 7 -1.076 -26.203 -6.607 1.00 0.00 N ATOM 60 CA GLY A 7 -2.393 -25.884 -6.086 1.00 0.00 C ATOM 61 C GLY A 7 -3.143 -24.903 -6.965 1.00 0.00 C ATOM 62 O GLY A 7 -2.572 -24.323 -7.890 1.00 0.00 O ATOM 0 H GLY A 7 -1.076 -26.664 -7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.975 -26.801 -5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.292 -25.466 -5.084 1.00 0.00 H new ATOM 66 N THR A 8 -4.428 -24.718 -6.680 1.00 0.00 N ATOM 67 CA THR A 8 -5.259 -23.804 -7.454 1.00 0.00 C ATOM 68 C THR A 8 -6.050 -22.873 -6.541 1.00 0.00 C ATOM 69 O THR A 8 -6.397 -23.237 -5.419 1.00 0.00 O ATOM 70 CB THR A 8 -6.239 -24.568 -8.363 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.013 -23.644 -9.136 1.00 0.00 O ATOM 72 CG2 THR A 8 -7.166 -25.449 -7.540 1.00 0.00 C ATOM 0 H THR A 8 -4.916 -25.189 -5.918 1.00 0.00 H new ATOM 0 HA THR A 8 -4.585 -23.214 -8.075 1.00 0.00 H new ATOM 0 HB THR A 8 -5.659 -25.203 -9.032 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.632 -24.138 -9.713 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.849 -25.979 -8.204 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.576 -26.171 -6.976 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.739 -24.830 -6.850 1.00 0.00 H new ATOM 80 N GLY A 9 -6.332 -21.670 -7.032 1.00 0.00 N ATOM 81 CA GLY A 9 -7.081 -20.706 -6.247 1.00 0.00 C ATOM 82 C GLY A 9 -7.695 -19.616 -7.101 1.00 0.00 C ATOM 83 O GLY A 9 -7.459 -19.554 -8.307 1.00 0.00 O ATOM 0 H GLY A 9 -6.055 -21.346 -7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.870 -21.222 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.421 -20.255 -5.506 1.00 0.00 H new ATOM 87 N ASP A 10 -8.487 -18.751 -6.475 1.00 0.00 N ATOM 88 CA ASP A 10 -9.139 -17.657 -7.186 1.00 0.00 C ATOM 89 C ASP A 10 -8.939 -16.336 -6.449 1.00 0.00 C ATOM 90 O ASP A 10 -8.800 -16.310 -5.228 1.00 0.00 O ATOM 91 CB ASP A 10 -10.632 -17.944 -7.348 1.00 0.00 C ATOM 92 CG ASP A 10 -10.897 -19.165 -8.207 1.00 0.00 C ATOM 93 OD1 ASP A 10 -10.809 -20.293 -7.678 1.00 0.00 O ATOM 94 OD2 ASP A 10 -11.193 -18.992 -9.408 1.00 0.00 O ATOM 0 H ASP A 10 -8.693 -18.787 -5.477 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.684 -17.575 -8.173 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.080 -18.091 -6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.119 -17.077 -7.794 1.00 0.00 H new ATOM 99 N ALA A 11 -8.925 -15.242 -7.203 1.00 0.00 N ATOM 100 CA ALA A 11 -8.743 -13.917 -6.622 1.00 0.00 C ATOM 101 C ALA A 11 -10.072 -13.179 -6.511 1.00 0.00 C ATOM 102 O ALA A 11 -10.390 -12.605 -5.469 1.00 0.00 O ATOM 103 CB ALA A 11 -7.755 -13.108 -7.450 1.00 0.00 C ATOM 0 H ALA A 11 -9.037 -15.247 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.341 -14.041 -5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.629 -12.121 -7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.794 -13.621 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.134 -13.001 -8.467 1.00 0.00 H new ATOM 109 N SER A 12 -10.846 -13.196 -7.592 1.00 0.00 N ATOM 110 CA SER A 12 -12.140 -12.524 -7.617 1.00 0.00 C ATOM 111 C SER A 12 -12.911 -12.784 -6.326 1.00 0.00 C ATOM 112 O SER A 12 -13.732 -11.969 -5.906 1.00 0.00 O ATOM 113 CB SER A 12 -12.960 -12.997 -8.819 1.00 0.00 C ATOM 114 OG SER A 12 -13.928 -12.030 -9.187 1.00 0.00 O ATOM 0 H SER A 12 -10.599 -13.668 -8.462 1.00 0.00 H new ATOM 0 HA SER A 12 -11.965 -11.452 -7.705 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.297 -13.192 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.454 -13.938 -8.578 1.00 0.00 H new ATOM 0 HG SER A 12 -14.438 -12.355 -9.958 1.00 0.00 H new ATOM 120 N LYS A 13 -12.642 -13.925 -5.702 1.00 0.00 N ATOM 121 CA LYS A 13 -13.308 -14.294 -4.458 1.00 0.00 C ATOM 122 C LYS A 13 -12.746 -13.499 -3.284 1.00 0.00 C ATOM 123 O LYS A 13 -13.484 -13.104 -2.380 1.00 0.00 O ATOM 124 CB LYS A 13 -13.148 -15.793 -4.196 1.00 0.00 C ATOM 125 CG LYS A 13 -13.712 -16.668 -5.304 1.00 0.00 C ATOM 126 CD LYS A 13 -15.230 -16.693 -5.277 1.00 0.00 C ATOM 127 CE LYS A 13 -15.790 -17.686 -6.282 1.00 0.00 C ATOM 128 NZ LYS A 13 -17.256 -17.514 -6.478 1.00 0.00 N ATOM 0 H LYS A 13 -11.966 -14.612 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.368 -14.060 -4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.090 -16.020 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.643 -16.044 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.371 -16.298 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.329 -17.683 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.573 -16.955 -4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.615 -15.697 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.279 -17.562 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.586 -18.701 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.598 -18.210 -7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.747 -17.657 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.449 -16.554 -6.828 1.00 0.00 H new ATOM 142 N CYS A 14 -11.439 -13.266 -3.305 1.00 0.00 N ATOM 143 CA CYS A 14 -10.779 -12.518 -2.241 1.00 0.00 C ATOM 144 C CYS A 14 -11.356 -11.110 -2.129 1.00 0.00 C ATOM 145 O CYS A 14 -11.846 -10.548 -3.109 1.00 0.00 O ATOM 146 CB CYS A 14 -9.274 -12.445 -2.498 1.00 0.00 C ATOM 147 SG CYS A 14 -8.352 -13.878 -1.891 1.00 0.00 S ATOM 0 H CYS A 14 -10.815 -13.584 -4.047 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.955 -13.040 -1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.104 -12.344 -3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.879 -11.545 -2.026 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.254 -14.008 -2.574 1.00 0.00 H new ATOM 153 N LEU A 15 -11.294 -10.545 -0.928 1.00 0.00 N ATOM 154 CA LEU A 15 -11.811 -9.202 -0.686 1.00 0.00 C ATOM 155 C LEU A 15 -10.761 -8.328 -0.010 1.00 0.00 C ATOM 156 O LEU A 15 -9.861 -8.828 0.661 1.00 0.00 O ATOM 157 CB LEU A 15 -13.071 -9.268 0.179 1.00 0.00 C ATOM 158 CG LEU A 15 -14.396 -9.404 -0.572 1.00 0.00 C ATOM 159 CD1 LEU A 15 -14.749 -10.869 -0.771 1.00 0.00 C ATOM 160 CD2 LEU A 15 -15.508 -8.681 0.173 1.00 0.00 C ATOM 0 H LEU A 15 -10.891 -10.996 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.062 -8.757 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -12.975 -10.113 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.114 -8.367 0.791 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.284 -8.943 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -15.695 -10.946 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.964 -11.357 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -14.842 -11.356 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.443 -8.788 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.620 -9.112 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -15.259 -7.624 0.262 1.00 0.00 H new ATOM 172 N ALA A 16 -10.884 -7.016 -0.193 1.00 0.00 N ATOM 173 CA ALA A 16 -9.948 -6.071 0.404 1.00 0.00 C ATOM 174 C ALA A 16 -10.683 -5.002 1.206 1.00 0.00 C ATOM 175 O ALA A 16 -11.372 -4.151 0.643 1.00 0.00 O ATOM 176 CB ALA A 16 -9.091 -5.427 -0.676 1.00 0.00 C ATOM 0 H ALA A 16 -11.622 -6.585 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.301 -6.620 1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.396 -4.723 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.531 -6.199 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.732 -4.897 -1.381 1.00 0.00 H new ATOM 182 N THR A 17 -10.533 -5.053 2.527 1.00 0.00 N ATOM 183 CA THR A 17 -11.183 -4.091 3.407 1.00 0.00 C ATOM 184 C THR A 17 -10.172 -3.417 4.327 1.00 0.00 C ATOM 185 O THR A 17 -9.503 -4.077 5.120 1.00 0.00 O ATOM 186 CB THR A 17 -12.274 -4.762 4.264 1.00 0.00 C ATOM 187 OG1 THR A 17 -11.740 -5.920 4.916 1.00 0.00 O ATOM 188 CG2 THR A 17 -13.466 -5.160 3.408 1.00 0.00 C ATOM 0 H THR A 17 -9.967 -5.751 3.010 1.00 0.00 H new ATOM 0 HA THR A 17 -11.645 -3.339 2.768 1.00 0.00 H new ATOM 0 HB THR A 17 -12.609 -4.045 5.014 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.819 -5.741 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.223 -5.632 4.035 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.887 -4.273 2.936 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.143 -5.862 2.639 1.00 0.00 H new ATOM 196 N GLY A 18 -10.067 -2.096 4.217 1.00 0.00 N ATOM 197 CA GLY A 18 -9.135 -1.354 5.046 1.00 0.00 C ATOM 198 C GLY A 18 -9.102 0.122 4.701 1.00 0.00 C ATOM 199 O GLY A 18 -9.511 0.538 3.617 1.00 0.00 O ATOM 0 H GLY A 18 -10.611 -1.527 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.411 -1.473 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.136 -1.774 4.930 1.00 0.00 H new ATOM 203 N PRO A 19 -8.608 0.942 5.642 1.00 0.00 N ATOM 204 CA PRO A 19 -8.513 2.393 5.457 1.00 0.00 C ATOM 205 C PRO A 19 -7.456 2.777 4.426 1.00 0.00 C ATOM 206 O PRO A 19 -7.446 3.900 3.922 1.00 0.00 O ATOM 207 CB PRO A 19 -8.117 2.902 6.844 1.00 0.00 C ATOM 208 CG PRO A 19 -7.430 1.749 7.490 1.00 0.00 C ATOM 209 CD PRO A 19 -8.104 0.515 6.957 1.00 0.00 C ATOM 0 HA PRO A 19 -9.444 2.819 5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.458 3.767 6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.991 3.213 7.416 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.366 1.746 7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.515 1.802 8.575 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.406 -0.318 6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.913 0.185 7.609 1.00 0.00 H new ATOM 217 N GLY A 20 -6.568 1.838 4.118 1.00 0.00 N ATOM 218 CA GLY A 20 -5.519 2.098 3.148 1.00 0.00 C ATOM 219 C GLY A 20 -6.039 2.128 1.725 1.00 0.00 C ATOM 220 O GLY A 20 -5.649 2.986 0.933 1.00 0.00 O ATOM 0 H GLY A 20 -6.555 0.902 4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.044 3.052 3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.750 1.330 3.234 1.00 0.00 H new ATOM 224 N ILE A 21 -6.920 1.188 1.399 1.00 0.00 N ATOM 225 CA ILE A 21 -7.493 1.111 0.061 1.00 0.00 C ATOM 226 C ILE A 21 -8.649 2.092 -0.099 1.00 0.00 C ATOM 227 O ILE A 21 -9.403 2.025 -1.069 1.00 0.00 O ATOM 228 CB ILE A 21 -7.994 -0.311 -0.254 1.00 0.00 C ATOM 229 CG1 ILE A 21 -9.078 -0.726 0.742 1.00 0.00 C ATOM 230 CG2 ILE A 21 -6.837 -1.299 -0.228 1.00 0.00 C ATOM 231 CD1 ILE A 21 -9.813 -1.988 0.345 1.00 0.00 C ATOM 0 H ILE A 21 -7.252 0.470 2.043 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.699 1.372 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.426 -0.314 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.623 -0.873 1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.797 0.087 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.208 -2.299 -0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.096 -1.011 -0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.378 -1.296 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.567 -2.222 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.297 -1.839 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.105 -2.814 0.272 1.00 0.00 H new ATOM 243 N ALA A 22 -8.781 3.004 0.858 1.00 0.00 N ATOM 244 CA ALA A 22 -9.842 4.002 0.821 1.00 0.00 C ATOM 245 C ALA A 22 -9.722 4.885 -0.417 1.00 0.00 C ATOM 246 O ALA A 22 -8.636 5.357 -0.752 1.00 0.00 O ATOM 247 CB ALA A 22 -9.812 4.852 2.083 1.00 0.00 C ATOM 0 H ALA A 22 -8.166 3.072 1.669 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.797 3.479 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.610 5.593 2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.955 4.214 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.850 5.359 2.158 1.00 0.00 H new ATOM 253 N SER A 23 -10.846 5.106 -1.093 1.00 0.00 N ATOM 254 CA SER A 23 -10.864 5.929 -2.296 1.00 0.00 C ATOM 255 C SER A 23 -9.881 7.088 -2.177 1.00 0.00 C ATOM 256 O SER A 23 -9.249 7.486 -3.156 1.00 0.00 O ATOM 257 CB SER A 23 -12.275 6.465 -2.550 1.00 0.00 C ATOM 258 OG SER A 23 -12.270 7.448 -3.571 1.00 0.00 O ATOM 0 H SER A 23 -11.755 4.727 -0.828 1.00 0.00 H new ATOM 0 HA SER A 23 -10.562 5.306 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.934 5.644 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.676 6.892 -1.631 1.00 0.00 H new ATOM 0 HG SER A 23 -13.183 7.774 -3.716 1.00 0.00 H new ATOM 264 N THR A 24 -9.755 7.628 -0.968 1.00 0.00 N ATOM 265 CA THR A 24 -8.850 8.743 -0.720 1.00 0.00 C ATOM 266 C THR A 24 -8.321 8.713 0.709 1.00 0.00 C ATOM 267 O THR A 24 -9.067 8.447 1.653 1.00 0.00 O ATOM 268 CB THR A 24 -9.543 10.096 -0.970 1.00 0.00 C ATOM 269 OG1 THR A 24 -10.488 10.363 0.072 1.00 0.00 O ATOM 270 CG2 THR A 24 -10.251 10.100 -2.317 1.00 0.00 C ATOM 0 H THR A 24 -10.269 7.311 -0.146 1.00 0.00 H new ATOM 0 HA THR A 24 -8.018 8.636 -1.416 1.00 0.00 H new ATOM 0 HB THR A 24 -8.780 10.874 -0.975 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.923 11.226 -0.094 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.733 11.065 -2.472 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.524 9.926 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.004 9.312 -2.335 1.00 0.00 H new ATOM 278 N VAL A 25 -7.029 8.988 0.864 1.00 0.00 N ATOM 279 CA VAL A 25 -6.401 8.995 2.179 1.00 0.00 C ATOM 280 C VAL A 25 -5.519 10.224 2.361 1.00 0.00 C ATOM 281 O VAL A 25 -5.319 11.003 1.428 1.00 0.00 O ATOM 282 CB VAL A 25 -5.552 7.729 2.401 1.00 0.00 C ATOM 283 CG1 VAL A 25 -6.436 6.493 2.439 1.00 0.00 C ATOM 284 CG2 VAL A 25 -4.491 7.604 1.318 1.00 0.00 C ATOM 0 H VAL A 25 -6.397 9.209 0.094 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.205 9.018 2.914 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.048 7.814 3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.818 5.609 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.154 6.584 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.970 6.399 1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.900 6.704 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.973 7.541 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.839 8.477 1.345 1.00 0.00 H new ATOM 294 N LYS A 26 -4.991 10.394 3.568 1.00 0.00 N ATOM 295 CA LYS A 26 -4.127 11.528 3.874 1.00 0.00 C ATOM 296 C LYS A 26 -2.657 11.140 3.752 1.00 0.00 C ATOM 297 O LYS A 26 -2.294 9.977 3.924 1.00 0.00 O ATOM 298 CB LYS A 26 -4.413 12.049 5.284 1.00 0.00 C ATOM 299 CG LYS A 26 -5.684 12.875 5.380 1.00 0.00 C ATOM 300 CD LYS A 26 -5.902 13.399 6.791 1.00 0.00 C ATOM 301 CE LYS A 26 -6.469 12.323 7.704 1.00 0.00 C ATOM 302 NZ LYS A 26 -6.111 12.562 9.130 1.00 0.00 N ATOM 0 H LYS A 26 -5.147 9.760 4.352 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.337 12.318 3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.487 11.203 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.570 12.655 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.629 13.712 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.538 12.267 5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.957 13.760 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.583 14.250 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.554 12.294 7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.093 11.348 7.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.516 11.808 9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.076 12.564 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.491 13.481 9.434 1.00 0.00 H new ATOM 316 N THR A 27 -1.812 12.124 3.456 1.00 0.00 N ATOM 317 CA THR A 27 -0.382 11.886 3.312 1.00 0.00 C ATOM 318 C THR A 27 0.316 11.891 4.668 1.00 0.00 C ATOM 319 O THR A 27 -0.204 12.432 5.643 1.00 0.00 O ATOM 320 CB THR A 27 0.276 12.944 2.407 1.00 0.00 C ATOM 321 OG1 THR A 27 0.017 14.256 2.917 1.00 0.00 O ATOM 322 CG2 THR A 27 -0.248 12.837 0.982 1.00 0.00 C ATOM 0 H THR A 27 -2.095 13.093 3.311 1.00 0.00 H new ATOM 0 HA THR A 27 -0.271 10.904 2.852 1.00 0.00 H new ATOM 0 HB THR A 27 1.351 12.764 2.398 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.675 14.884 2.552 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.231 13.594 0.361 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.024 11.847 0.585 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.327 12.994 0.978 1.00 0.00 H new ATOM 330 N GLY A 28 1.497 11.283 4.723 1.00 0.00 N ATOM 331 CA GLY A 28 2.247 11.231 5.965 1.00 0.00 C ATOM 332 C GLY A 28 1.773 10.119 6.880 1.00 0.00 C ATOM 333 O GLY A 28 2.574 9.494 7.574 1.00 0.00 O ATOM 0 H GLY A 28 1.948 10.826 3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.304 11.089 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.156 12.187 6.482 1.00 0.00 H new ATOM 337 N GLU A 29 0.466 9.874 6.884 1.00 0.00 N ATOM 338 CA GLU A 29 -0.113 8.832 7.725 1.00 0.00 C ATOM 339 C GLU A 29 0.070 7.457 7.089 1.00 0.00 C ATOM 340 O GLU A 29 0.065 7.322 5.866 1.00 0.00 O ATOM 341 CB GLU A 29 -1.600 9.104 7.961 1.00 0.00 C ATOM 342 CG GLU A 29 -2.467 8.846 6.740 1.00 0.00 C ATOM 343 CD GLU A 29 -3.893 8.482 7.105 1.00 0.00 C ATOM 344 OE1 GLU A 29 -4.430 9.075 8.063 1.00 0.00 O ATOM 345 OE2 GLU A 29 -4.471 7.602 6.432 1.00 0.00 O ATOM 0 H GLU A 29 -0.211 10.382 6.315 1.00 0.00 H new ATOM 0 HA GLU A 29 0.407 8.842 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.949 8.479 8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.726 10.141 8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.473 9.734 6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.029 8.040 6.152 1.00 0.00 H new ATOM 352 N GLU A 30 0.230 6.440 7.929 1.00 0.00 N ATOM 353 CA GLU A 30 0.415 5.075 7.449 1.00 0.00 C ATOM 354 C GLU A 30 -0.875 4.271 7.584 1.00 0.00 C ATOM 355 O GLU A 30 -1.393 4.087 8.686 1.00 0.00 O ATOM 356 CB GLU A 30 1.541 4.386 8.223 1.00 0.00 C ATOM 357 CG GLU A 30 1.730 2.926 7.853 1.00 0.00 C ATOM 358 CD GLU A 30 2.354 2.116 8.973 1.00 0.00 C ATOM 359 OE1 GLU A 30 1.954 2.312 10.140 1.00 0.00 O ATOM 360 OE2 GLU A 30 3.241 1.286 8.683 1.00 0.00 O ATOM 0 H GLU A 30 0.235 6.535 8.945 1.00 0.00 H new ATOM 0 HA GLU A 30 0.685 5.122 6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.474 4.921 8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.333 4.457 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.764 2.493 7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.360 2.858 6.966 1.00 0.00 H new ATOM 367 N VAL A 31 -1.390 3.795 6.456 1.00 0.00 N ATOM 368 CA VAL A 31 -2.619 3.011 6.446 1.00 0.00 C ATOM 369 C VAL A 31 -2.327 1.530 6.666 1.00 0.00 C ATOM 370 O VAL A 31 -1.171 1.111 6.694 1.00 0.00 O ATOM 371 CB VAL A 31 -3.384 3.180 5.120 1.00 0.00 C ATOM 372 CG1 VAL A 31 -3.805 4.629 4.928 1.00 0.00 C ATOM 373 CG2 VAL A 31 -2.535 2.704 3.952 1.00 0.00 C ATOM 0 H VAL A 31 -0.975 3.939 5.536 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.238 3.383 7.263 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.284 2.567 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.344 4.729 3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.453 4.932 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.920 5.266 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.091 2.830 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.616 3.289 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.288 1.651 4.087 1.00 0.00 H new ATOM 383 N GLY A 32 -3.386 0.741 6.822 1.00 0.00 N ATOM 384 CA GLY A 32 -3.223 -0.685 7.038 1.00 0.00 C ATOM 385 C GLY A 32 -4.477 -1.469 6.705 1.00 0.00 C ATOM 386 O GLY A 32 -5.418 -1.515 7.497 1.00 0.00 O ATOM 0 H GLY A 32 -4.353 1.064 6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.397 -1.050 6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.953 -0.863 8.079 1.00 0.00 H new ATOM 390 N PHE A 33 -4.491 -2.087 5.528 1.00 0.00 N ATOM 391 CA PHE A 33 -5.640 -2.870 5.090 1.00 0.00 C ATOM 392 C PHE A 33 -5.346 -4.365 5.183 1.00 0.00 C ATOM 393 O PHE A 33 -4.190 -4.778 5.267 1.00 0.00 O ATOM 394 CB PHE A 33 -6.018 -2.501 3.653 1.00 0.00 C ATOM 395 CG PHE A 33 -4.936 -2.796 2.654 1.00 0.00 C ATOM 396 CD1 PHE A 33 -3.939 -1.868 2.399 1.00 0.00 C ATOM 397 CD2 PHE A 33 -4.915 -4.001 1.971 1.00 0.00 C ATOM 398 CE1 PHE A 33 -2.941 -2.136 1.481 1.00 0.00 C ATOM 399 CE2 PHE A 33 -3.920 -4.274 1.052 1.00 0.00 C ATOM 400 CZ PHE A 33 -2.932 -3.341 0.806 1.00 0.00 C ATOM 0 H PHE A 33 -3.720 -2.060 4.861 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.478 -2.640 5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.919 -3.045 3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.261 -1.439 3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.942 -0.924 2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.685 -4.735 2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.169 -1.404 1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.915 -5.217 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.154 -3.553 0.087 1.00 0.00 H new ATOM 410 N VAL A 34 -6.403 -5.171 5.168 1.00 0.00 N ATOM 411 CA VAL A 34 -6.261 -6.620 5.249 1.00 0.00 C ATOM 412 C VAL A 34 -7.134 -7.318 4.214 1.00 0.00 C ATOM 413 O VAL A 34 -8.293 -6.951 4.016 1.00 0.00 O ATOM 414 CB VAL A 34 -6.627 -7.141 6.652 1.00 0.00 C ATOM 415 CG1 VAL A 34 -8.066 -6.785 6.993 1.00 0.00 C ATOM 416 CG2 VAL A 34 -6.407 -8.644 6.735 1.00 0.00 C ATOM 0 H VAL A 34 -7.367 -4.845 5.100 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.214 -6.847 5.047 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.976 -6.661 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.308 -7.161 7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.187 -5.702 6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.736 -7.237 6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.670 -8.996 7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.033 -9.145 5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.360 -8.870 6.535 1.00 0.00 H new ATOM 426 N VAL A 35 -6.573 -8.327 3.557 1.00 0.00 N ATOM 427 CA VAL A 35 -7.302 -9.079 2.542 1.00 0.00 C ATOM 428 C VAL A 35 -8.035 -10.265 3.158 1.00 0.00 C ATOM 429 O VAL A 35 -7.413 -11.229 3.603 1.00 0.00 O ATOM 430 CB VAL A 35 -6.358 -9.590 1.438 1.00 0.00 C ATOM 431 CG1 VAL A 35 -7.069 -10.607 0.557 1.00 0.00 C ATOM 432 CG2 VAL A 35 -5.832 -8.429 0.607 1.00 0.00 C ATOM 0 H VAL A 35 -5.615 -8.643 3.709 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.028 -8.396 2.102 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.508 -10.083 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.387 -10.957 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.392 -11.452 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.938 -10.141 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.167 -8.809 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.668 -7.905 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.284 -7.740 1.250 1.00 0.00 H new ATOM 442 N ASP A 36 -9.361 -10.186 3.181 1.00 0.00 N ATOM 443 CA ASP A 36 -10.180 -11.255 3.741 1.00 0.00 C ATOM 444 C ASP A 36 -10.427 -12.350 2.707 1.00 0.00 C ATOM 445 O ASP A 36 -10.872 -12.076 1.594 1.00 0.00 O ATOM 446 CB ASP A 36 -11.515 -10.696 4.238 1.00 0.00 C ATOM 447 CG ASP A 36 -12.060 -11.468 5.423 1.00 0.00 C ATOM 448 OD1 ASP A 36 -11.270 -11.796 6.333 1.00 0.00 O ATOM 449 OD2 ASP A 36 -13.279 -11.743 5.441 1.00 0.00 O ATOM 0 H ASP A 36 -9.891 -9.394 2.819 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.640 -11.690 4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.386 -9.650 4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.241 -10.722 3.426 1.00 0.00 H new ATOM 454 N ALA A 37 -10.132 -13.589 3.086 1.00 0.00 N ATOM 455 CA ALA A 37 -10.323 -14.726 2.191 1.00 0.00 C ATOM 456 C ALA A 37 -11.104 -15.840 2.879 1.00 0.00 C ATOM 457 O ALA A 37 -10.730 -16.300 3.959 1.00 0.00 O ATOM 458 CB ALA A 37 -8.978 -15.244 1.704 1.00 0.00 C ATOM 0 H ALA A 37 -9.761 -13.832 4.004 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.903 -14.389 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.134 -16.092 1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.456 -14.452 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.379 -15.560 2.558 1.00 0.00 H new ATOM 464 N LYS A 38 -12.191 -16.271 2.248 1.00 0.00 N ATOM 465 CA LYS A 38 -13.025 -17.332 2.799 1.00 0.00 C ATOM 466 C LYS A 38 -13.053 -18.540 1.869 1.00 0.00 C ATOM 467 O LYS A 38 -12.802 -19.669 2.290 1.00 0.00 O ATOM 468 CB LYS A 38 -14.449 -16.821 3.031 1.00 0.00 C ATOM 469 CG LYS A 38 -14.970 -15.940 1.909 1.00 0.00 C ATOM 470 CD LYS A 38 -16.242 -15.215 2.315 1.00 0.00 C ATOM 471 CE LYS A 38 -17.035 -14.758 1.099 1.00 0.00 C ATOM 472 NZ LYS A 38 -17.584 -15.909 0.330 1.00 0.00 N ATOM 0 H LYS A 38 -12.515 -15.901 1.354 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.596 -17.639 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.117 -17.674 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.477 -16.260 3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.207 -15.212 1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.163 -16.550 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.859 -15.874 2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.990 -14.352 2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.853 -14.113 1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.394 -14.161 0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.383 -15.588 -0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.842 -16.301 -0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.911 -16.643 0.990 1.00 0.00 H new ATOM 486 N THR A 39 -13.359 -18.296 0.598 1.00 0.00 N ATOM 487 CA THR A 39 -13.419 -19.363 -0.393 1.00 0.00 C ATOM 488 C THR A 39 -12.277 -19.248 -1.396 1.00 0.00 C ATOM 489 O THR A 39 -11.959 -20.204 -2.102 1.00 0.00 O ATOM 490 CB THR A 39 -14.758 -19.349 -1.154 1.00 0.00 C ATOM 491 OG1 THR A 39 -14.942 -18.083 -1.798 1.00 0.00 O ATOM 492 CG2 THR A 39 -15.921 -19.616 -0.208 1.00 0.00 C ATOM 0 H THR A 39 -13.569 -17.368 0.231 1.00 0.00 H new ATOM 0 HA THR A 39 -13.328 -20.303 0.151 1.00 0.00 H new ATOM 0 HB THR A 39 -14.732 -20.138 -1.905 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.795 -18.083 -2.281 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.856 -19.601 -0.768 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.793 -20.592 0.259 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.947 -18.846 0.563 1.00 0.00 H new ATOM 500 N ALA A 40 -11.663 -18.070 -1.453 1.00 0.00 N ATOM 501 CA ALA A 40 -10.553 -17.831 -2.368 1.00 0.00 C ATOM 502 C ALA A 40 -9.695 -19.082 -2.529 1.00 0.00 C ATOM 503 O ALA A 40 -9.154 -19.340 -3.603 1.00 0.00 O ATOM 504 CB ALA A 40 -9.706 -16.666 -1.877 1.00 0.00 C ATOM 0 H ALA A 40 -11.915 -17.267 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.967 -17.579 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.881 -16.499 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.321 -15.768 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.309 -16.896 -0.888 1.00 0.00 H new ATOM 510 N GLY A 41 -9.575 -19.853 -1.453 1.00 0.00 N ATOM 511 CA GLY A 41 -8.780 -21.068 -1.497 1.00 0.00 C ATOM 512 C GLY A 41 -7.327 -20.822 -1.140 1.00 0.00 C ATOM 513 O GLY A 41 -7.027 -20.145 -0.158 1.00 0.00 O ATOM 0 H GLY A 41 -10.013 -19.659 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.202 -21.800 -0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.838 -21.501 -2.496 1.00 0.00 H new ATOM 517 N LYS A 42 -6.422 -21.376 -1.941 1.00 0.00 N ATOM 518 CA LYS A 42 -4.992 -21.214 -1.706 1.00 0.00 C ATOM 519 C LYS A 42 -4.405 -20.154 -2.633 1.00 0.00 C ATOM 520 O LYS A 42 -4.878 -19.962 -3.752 1.00 0.00 O ATOM 521 CB LYS A 42 -4.268 -22.546 -1.914 1.00 0.00 C ATOM 522 CG LYS A 42 -2.756 -22.439 -1.806 1.00 0.00 C ATOM 523 CD LYS A 42 -2.309 -22.298 -0.360 1.00 0.00 C ATOM 524 CE LYS A 42 -2.298 -23.642 0.353 1.00 0.00 C ATOM 525 NZ LYS A 42 -1.488 -23.600 1.602 1.00 0.00 N ATOM 0 H LYS A 42 -6.654 -21.941 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.852 -20.887 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.627 -23.264 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.527 -22.941 -2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.295 -23.324 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.409 -21.580 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.312 -21.859 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.976 -21.613 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.320 -23.934 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.897 -24.404 -0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.505 -24.534 2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.506 -23.346 1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.886 -22.891 2.250 1.00 0.00 H new ATOM 539 N GLY A 43 -3.369 -19.468 -2.159 1.00 0.00 N ATOM 540 CA GLY A 43 -2.734 -18.438 -2.958 1.00 0.00 C ATOM 541 C GLY A 43 -2.052 -17.383 -2.109 1.00 0.00 C ATOM 542 O GLY A 43 -2.444 -17.145 -0.967 1.00 0.00 O ATOM 0 H GLY A 43 -2.959 -19.608 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.000 -18.897 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.482 -17.962 -3.592 1.00 0.00 H new ATOM 546 N LYS A 44 -1.026 -16.749 -2.667 1.00 0.00 N ATOM 547 CA LYS A 44 -0.286 -15.715 -1.954 1.00 0.00 C ATOM 548 C LYS A 44 -0.798 -14.326 -2.324 1.00 0.00 C ATOM 549 O LYS A 44 -1.117 -14.060 -3.483 1.00 0.00 O ATOM 550 CB LYS A 44 1.208 -15.819 -2.268 1.00 0.00 C ATOM 551 CG LYS A 44 1.924 -14.480 -2.272 1.00 0.00 C ATOM 552 CD LYS A 44 3.374 -14.621 -1.839 1.00 0.00 C ATOM 553 CE LYS A 44 3.874 -13.363 -1.144 1.00 0.00 C ATOM 554 NZ LYS A 44 5.108 -13.620 -0.352 1.00 0.00 N ATOM 0 H LYS A 44 -0.688 -16.934 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.438 -15.867 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.680 -16.472 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.334 -16.292 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.882 -14.047 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.409 -13.789 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.473 -15.473 -1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.996 -14.829 -2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.074 -12.592 -1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.095 -12.977 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.417 -12.739 0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.911 -14.337 0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.860 -13.964 -0.983 1.00 0.00 H new ATOM 568 N VAL A 45 -0.874 -13.444 -1.333 1.00 0.00 N ATOM 569 CA VAL A 45 -1.344 -12.082 -1.556 1.00 0.00 C ATOM 570 C VAL A 45 -0.183 -11.094 -1.566 1.00 0.00 C ATOM 571 O VAL A 45 0.324 -10.703 -0.514 1.00 0.00 O ATOM 572 CB VAL A 45 -2.357 -11.655 -0.477 1.00 0.00 C ATOM 573 CG1 VAL A 45 -2.858 -10.243 -0.743 1.00 0.00 C ATOM 574 CG2 VAL A 45 -3.518 -12.638 -0.418 1.00 0.00 C ATOM 0 H VAL A 45 -0.616 -13.648 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.834 -12.072 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.855 -11.661 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.573 -9.959 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.017 -9.550 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.344 -10.207 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.224 -12.321 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.021 -12.666 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.141 -13.632 -0.176 1.00 0.00 H new ATOM 584 N THR A 46 0.235 -10.693 -2.763 1.00 0.00 N ATOM 585 CA THR A 46 1.336 -9.751 -2.911 1.00 0.00 C ATOM 586 C THR A 46 0.824 -8.352 -3.236 1.00 0.00 C ATOM 587 O THR A 46 -0.117 -8.191 -4.014 1.00 0.00 O ATOM 588 CB THR A 46 2.312 -10.196 -4.016 1.00 0.00 C ATOM 589 OG1 THR A 46 1.666 -10.143 -5.292 1.00 0.00 O ATOM 590 CG2 THR A 46 2.816 -11.609 -3.755 1.00 0.00 C ATOM 0 H THR A 46 -0.173 -11.007 -3.644 1.00 0.00 H new ATOM 0 HA THR A 46 1.863 -9.730 -1.957 1.00 0.00 H new ATOM 0 HB THR A 46 3.164 -9.516 -4.013 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.294 -10.426 -5.989 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.504 -11.902 -4.548 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.334 -11.639 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.972 -12.298 -3.734 1.00 0.00 H new ATOM 598 N CYS A 47 1.449 -7.345 -2.636 1.00 0.00 N ATOM 599 CA CYS A 47 1.055 -5.959 -2.863 1.00 0.00 C ATOM 600 C CYS A 47 2.216 -5.148 -3.430 1.00 0.00 C ATOM 601 O CYS A 47 3.376 -5.379 -3.084 1.00 0.00 O ATOM 602 CB CYS A 47 0.565 -5.326 -1.559 1.00 0.00 C ATOM 603 SG CYS A 47 0.350 -3.533 -1.643 1.00 0.00 S ATOM 0 H CYS A 47 2.229 -7.462 -1.990 1.00 0.00 H new ATOM 0 HA CYS A 47 0.243 -5.953 -3.590 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.385 -5.782 -1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.275 -5.559 -0.765 1.00 0.00 H new ATOM 0 HG CYS A 47 1.423 -2.990 -2.137 1.00 0.00 H new ATOM 609 N THR A 48 1.898 -4.201 -4.306 1.00 0.00 N ATOM 610 CA THR A 48 2.914 -3.359 -4.923 1.00 0.00 C ATOM 611 C THR A 48 2.492 -1.894 -4.920 1.00 0.00 C ATOM 612 O THR A 48 1.674 -1.471 -5.737 1.00 0.00 O ATOM 613 CB THR A 48 3.201 -3.795 -6.373 1.00 0.00 C ATOM 614 OG1 THR A 48 3.559 -5.182 -6.405 1.00 0.00 O ATOM 615 CG2 THR A 48 4.320 -2.962 -6.978 1.00 0.00 C ATOM 0 H THR A 48 0.944 -3.998 -4.604 1.00 0.00 H new ATOM 0 HA THR A 48 3.821 -3.474 -4.330 1.00 0.00 H new ATOM 0 HB THR A 48 2.297 -3.640 -6.962 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.738 -5.452 -7.330 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.504 -3.289 -8.002 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.032 -1.911 -6.979 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.228 -3.089 -6.388 1.00 0.00 H new ATOM 623 N VAL A 49 3.056 -1.123 -3.997 1.00 0.00 N ATOM 624 CA VAL A 49 2.739 0.297 -3.888 1.00 0.00 C ATOM 625 C VAL A 49 3.475 1.107 -4.949 1.00 0.00 C ATOM 626 O VAL A 49 4.704 1.173 -4.954 1.00 0.00 O ATOM 627 CB VAL A 49 3.099 0.848 -2.495 1.00 0.00 C ATOM 628 CG1 VAL A 49 2.722 2.318 -2.389 1.00 0.00 C ATOM 629 CG2 VAL A 49 2.416 0.033 -1.408 1.00 0.00 C ATOM 0 H VAL A 49 3.735 -1.457 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 49 1.664 0.394 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 49 4.177 0.764 -2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.984 2.690 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.262 2.888 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.650 2.431 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.681 0.436 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.335 0.083 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.741 -1.005 -1.473 1.00 0.00 H new ATOM 639 N LEU A 50 2.715 1.723 -5.848 1.00 0.00 N ATOM 640 CA LEU A 50 3.295 2.530 -6.916 1.00 0.00 C ATOM 641 C LEU A 50 3.122 4.018 -6.628 1.00 0.00 C ATOM 642 O LEU A 50 2.016 4.484 -6.350 1.00 0.00 O ATOM 643 CB LEU A 50 2.647 2.180 -8.257 1.00 0.00 C ATOM 644 CG LEU A 50 3.261 2.839 -9.492 1.00 0.00 C ATOM 645 CD1 LEU A 50 4.723 2.444 -9.635 1.00 0.00 C ATOM 646 CD2 LEU A 50 2.481 2.462 -10.742 1.00 0.00 C ATOM 0 H LEU A 50 1.696 1.679 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 50 4.361 2.309 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.691 1.099 -8.387 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.593 2.453 -8.211 1.00 0.00 H new ATOM 0 HG LEU A 50 3.207 3.921 -9.368 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.144 2.922 -10.519 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.275 2.765 -8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.799 1.361 -9.737 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.933 2.940 -11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.502 1.380 -10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.448 2.795 -10.641 1.00 0.00 H new ATOM 658 N THR A 51 4.222 4.761 -6.698 1.00 0.00 N ATOM 659 CA THR A 51 4.193 6.196 -6.446 1.00 0.00 C ATOM 660 C THR A 51 3.880 6.972 -7.721 1.00 0.00 C ATOM 661 O THR A 51 4.242 6.568 -8.827 1.00 0.00 O ATOM 662 CB THR A 51 5.533 6.694 -5.872 1.00 0.00 C ATOM 663 OG1 THR A 51 6.550 6.632 -6.879 1.00 0.00 O ATOM 664 CG2 THR A 51 5.949 5.858 -4.670 1.00 0.00 C ATOM 0 H THR A 51 5.145 4.392 -6.927 1.00 0.00 H new ATOM 0 HA THR A 51 3.405 6.372 -5.714 1.00 0.00 H new ATOM 0 HB THR A 51 5.405 7.727 -5.549 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.625 5.713 -7.212 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.898 6.227 -4.281 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.186 5.930 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.061 4.817 -4.972 1.00 0.00 H new ATOM 672 N PRO A 52 3.192 8.113 -7.567 1.00 0.00 N ATOM 673 CA PRO A 52 2.816 8.970 -8.696 1.00 0.00 C ATOM 674 C PRO A 52 4.021 9.666 -9.320 1.00 0.00 C ATOM 675 O PRO A 52 3.891 10.376 -10.317 1.00 0.00 O ATOM 676 CB PRO A 52 1.874 9.997 -8.063 1.00 0.00 C ATOM 677 CG PRO A 52 2.274 10.045 -6.629 1.00 0.00 C ATOM 678 CD PRO A 52 2.728 8.655 -6.279 1.00 0.00 C ATOM 0 HA PRO A 52 2.364 8.401 -9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.978 10.974 -8.536 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.831 9.699 -8.173 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.074 10.768 -6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.438 10.352 -6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.527 8.668 -5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.916 8.060 -5.862 1.00 0.00 H new ATOM 686 N ASP A 53 5.192 9.457 -8.730 1.00 0.00 N ATOM 687 CA ASP A 53 6.420 10.063 -9.230 1.00 0.00 C ATOM 688 C ASP A 53 7.027 9.218 -10.345 1.00 0.00 C ATOM 689 O ASP A 53 7.810 9.713 -11.156 1.00 0.00 O ATOM 690 CB ASP A 53 7.430 10.232 -8.094 1.00 0.00 C ATOM 691 CG ASP A 53 7.223 11.519 -7.321 1.00 0.00 C ATOM 692 OD1 ASP A 53 6.059 11.836 -6.996 1.00 0.00 O ATOM 693 OD2 ASP A 53 8.224 12.209 -7.038 1.00 0.00 O ATOM 0 H ASP A 53 5.317 8.872 -7.904 1.00 0.00 H new ATOM 0 HA ASP A 53 6.173 11.044 -9.635 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.350 9.385 -7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.440 10.217 -8.504 1.00 0.00 H new ATOM 698 N GLY A 54 6.661 7.941 -10.381 1.00 0.00 N ATOM 699 CA GLY A 54 7.179 7.048 -11.401 1.00 0.00 C ATOM 700 C GLY A 54 8.161 6.038 -10.842 1.00 0.00 C ATOM 701 O GLY A 54 9.058 5.575 -11.549 1.00 0.00 O ATOM 0 H GLY A 54 6.014 7.508 -9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.350 6.521 -11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.669 7.634 -12.179 1.00 0.00 H new ATOM 705 N THR A 55 7.996 5.696 -9.568 1.00 0.00 N ATOM 706 CA THR A 55 8.877 4.737 -8.913 1.00 0.00 C ATOM 707 C THR A 55 8.076 3.674 -8.170 1.00 0.00 C ATOM 708 O THR A 55 6.939 3.912 -7.765 1.00 0.00 O ATOM 709 CB THR A 55 9.828 5.433 -7.922 1.00 0.00 C ATOM 710 OG1 THR A 55 9.083 5.972 -6.824 1.00 0.00 O ATOM 711 CG2 THR A 55 10.605 6.546 -8.609 1.00 0.00 C ATOM 0 H THR A 55 7.260 6.069 -8.969 1.00 0.00 H new ATOM 0 HA THR A 55 9.466 4.262 -9.697 1.00 0.00 H new ATOM 0 HB THR A 55 10.536 4.692 -7.551 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.290 6.438 -7.164 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.270 7.023 -7.889 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.194 6.128 -9.426 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.909 7.285 -9.005 1.00 0.00 H new ATOM 719 N GLU A 56 8.678 2.501 -7.994 1.00 0.00 N ATOM 720 CA GLU A 56 8.019 1.402 -7.299 1.00 0.00 C ATOM 721 C GLU A 56 8.426 1.366 -5.829 1.00 0.00 C ATOM 722 O GLU A 56 9.613 1.349 -5.503 1.00 0.00 O ATOM 723 CB GLU A 56 8.361 0.069 -7.967 1.00 0.00 C ATOM 724 CG GLU A 56 7.754 -0.092 -9.351 1.00 0.00 C ATOM 725 CD GLU A 56 8.575 -0.999 -10.246 1.00 0.00 C ATOM 726 OE1 GLU A 56 9.545 -0.508 -10.860 1.00 0.00 O ATOM 727 OE2 GLU A 56 8.247 -2.201 -10.332 1.00 0.00 O ATOM 0 H GLU A 56 9.620 2.288 -8.323 1.00 0.00 H new ATOM 0 HA GLU A 56 6.942 1.563 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.445 -0.023 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.015 -0.746 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.746 -0.496 -9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.662 0.888 -9.819 1.00 0.00 H new ATOM 734 N ALA A 57 7.433 1.355 -4.946 1.00 0.00 N ATOM 735 CA ALA A 57 7.687 1.319 -3.511 1.00 0.00 C ATOM 736 C ALA A 57 7.464 -0.080 -2.948 1.00 0.00 C ATOM 737 O ALA A 57 6.716 -0.874 -3.516 1.00 0.00 O ATOM 738 CB ALA A 57 6.801 2.327 -2.793 1.00 0.00 C ATOM 0 H ALA A 57 6.445 1.371 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 57 8.731 1.586 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.001 2.289 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.013 3.329 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.754 2.086 -2.975 1.00 0.00 H new ATOM 744 N GLU A 58 8.119 -0.374 -1.830 1.00 0.00 N ATOM 745 CA GLU A 58 7.992 -1.679 -1.192 1.00 0.00 C ATOM 746 C GLU A 58 6.984 -1.631 -0.047 1.00 0.00 C ATOM 747 O GLU A 58 6.923 -0.653 0.697 1.00 0.00 O ATOM 748 CB GLU A 58 9.351 -2.152 -0.670 1.00 0.00 C ATOM 749 CG GLU A 58 9.970 -1.213 0.351 1.00 0.00 C ATOM 750 CD GLU A 58 10.876 -1.932 1.332 1.00 0.00 C ATOM 751 OE1 GLU A 58 10.507 -3.036 1.781 1.00 0.00 O ATOM 752 OE2 GLU A 58 11.954 -1.389 1.650 1.00 0.00 O ATOM 0 H GLU A 58 8.743 0.273 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 58 7.632 -2.385 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.235 -3.138 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.035 -2.263 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.541 -0.443 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.177 -0.705 0.900 1.00 0.00 H new ATOM 759 N ALA A 59 6.196 -2.692 0.085 1.00 0.00 N ATOM 760 CA ALA A 59 5.192 -2.772 1.139 1.00 0.00 C ATOM 761 C ALA A 59 5.396 -4.014 2.000 1.00 0.00 C ATOM 762 O ALA A 59 6.105 -4.941 1.609 1.00 0.00 O ATOM 763 CB ALA A 59 3.795 -2.768 0.537 1.00 0.00 C ATOM 0 H ALA A 59 6.233 -3.509 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 59 5.303 -1.897 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.055 -2.828 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.645 -1.848 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.683 -3.625 -0.127 1.00 0.00 H new ATOM 769 N ASP A 60 4.771 -4.025 3.172 1.00 0.00 N ATOM 770 CA ASP A 60 4.884 -5.153 4.088 1.00 0.00 C ATOM 771 C ASP A 60 3.641 -6.036 4.020 1.00 0.00 C ATOM 772 O ASP A 60 2.522 -5.539 3.893 1.00 0.00 O ATOM 773 CB ASP A 60 5.094 -4.657 5.519 1.00 0.00 C ATOM 774 CG ASP A 60 5.894 -5.633 6.359 1.00 0.00 C ATOM 775 OD1 ASP A 60 6.895 -6.177 5.846 1.00 0.00 O ATOM 776 OD2 ASP A 60 5.519 -5.855 7.529 1.00 0.00 O ATOM 0 H ASP A 60 4.181 -3.265 3.510 1.00 0.00 H new ATOM 0 HA ASP A 60 5.747 -5.747 3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.608 -3.696 5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.125 -4.488 5.988 1.00 0.00 H new ATOM 781 N VAL A 61 3.847 -7.346 4.102 1.00 0.00 N ATOM 782 CA VAL A 61 2.744 -8.298 4.050 1.00 0.00 C ATOM 783 C VAL A 61 2.830 -9.303 5.193 1.00 0.00 C ATOM 784 O VAL A 61 3.761 -10.107 5.257 1.00 0.00 O ATOM 785 CB VAL A 61 2.722 -9.059 2.712 1.00 0.00 C ATOM 786 CG1 VAL A 61 1.491 -9.949 2.623 1.00 0.00 C ATOM 787 CG2 VAL A 61 2.771 -8.086 1.544 1.00 0.00 C ATOM 0 H VAL A 61 4.768 -7.773 4.205 1.00 0.00 H new ATOM 0 HA VAL A 61 1.824 -7.721 4.146 1.00 0.00 H new ATOM 0 HB VAL A 61 3.606 -9.695 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.493 -10.479 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.504 -10.671 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.593 -9.336 2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.755 -8.642 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.908 -7.422 1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.686 -7.496 1.600 1.00 0.00 H new ATOM 797 N ILE A 62 1.854 -9.252 6.093 1.00 0.00 N ATOM 798 CA ILE A 62 1.818 -10.160 7.233 1.00 0.00 C ATOM 799 C ILE A 62 0.660 -11.145 7.117 1.00 0.00 C ATOM 800 O ILE A 62 -0.505 -10.762 7.220 1.00 0.00 O ATOM 801 CB ILE A 62 1.692 -9.390 8.561 1.00 0.00 C ATOM 802 CG1 ILE A 62 2.841 -8.391 8.708 1.00 0.00 C ATOM 803 CG2 ILE A 62 1.673 -10.359 9.735 1.00 0.00 C ATOM 804 CD1 ILE A 62 2.567 -7.055 8.054 1.00 0.00 C ATOM 0 H ILE A 62 1.078 -8.592 6.055 1.00 0.00 H new ATOM 0 HA ILE A 62 2.759 -10.710 7.228 1.00 0.00 H new ATOM 0 HB ILE A 62 0.753 -8.837 8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.041 -8.233 9.768 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.743 -8.821 8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.584 -9.800 10.667 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.824 -11.035 9.635 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.598 -10.936 9.745 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.424 -6.397 8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.396 -7.200 6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.683 -6.604 8.505 1.00 0.00 H new ATOM 816 N GLU A 63 0.988 -12.415 6.903 1.00 0.00 N ATOM 817 CA GLU A 63 -0.025 -13.455 6.774 1.00 0.00 C ATOM 818 C GLU A 63 -0.597 -13.830 8.138 1.00 0.00 C ATOM 819 O GLU A 63 0.047 -13.634 9.168 1.00 0.00 O ATOM 820 CB GLU A 63 0.565 -14.694 6.099 1.00 0.00 C ATOM 821 CG GLU A 63 1.509 -14.370 4.952 1.00 0.00 C ATOM 822 CD GLU A 63 2.935 -14.148 5.414 1.00 0.00 C ATOM 823 OE1 GLU A 63 3.655 -15.149 5.616 1.00 0.00 O ATOM 824 OE2 GLU A 63 3.333 -12.975 5.574 1.00 0.00 O ATOM 0 H GLU A 63 1.948 -12.748 6.815 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.832 -13.063 6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.100 -15.283 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.248 -15.316 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.488 -15.185 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.155 -13.477 4.437 1.00 0.00 H new ATOM 831 N ASN A 64 -1.812 -14.369 8.136 1.00 0.00 N ATOM 832 CA ASN A 64 -2.471 -14.771 9.374 1.00 0.00 C ATOM 833 C ASN A 64 -2.858 -16.246 9.330 1.00 0.00 C ATOM 834 O ASN A 64 -3.045 -16.816 8.256 1.00 0.00 O ATOM 835 CB ASN A 64 -3.715 -13.913 9.615 1.00 0.00 C ATOM 836 CG ASN A 64 -3.404 -12.650 10.394 1.00 0.00 C ATOM 837 OD1 ASN A 64 -3.708 -12.550 11.584 1.00 0.00 O ATOM 838 ND2 ASN A 64 -2.794 -11.677 9.726 1.00 0.00 N ATOM 0 H ASN A 64 -2.360 -14.537 7.292 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.770 -14.622 10.195 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.160 -13.645 8.656 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.457 -14.498 10.158 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.559 -10.804 10.198 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.561 -11.803 8.741 1.00 0.00 H new ATOM 845 N GLU A 65 -2.976 -16.856 10.505 1.00 0.00 N ATOM 846 CA GLU A 65 -3.341 -18.265 10.600 1.00 0.00 C ATOM 847 C GLU A 65 -4.745 -18.502 10.052 1.00 0.00 C ATOM 848 O GLU A 65 -5.074 -19.603 9.613 1.00 0.00 O ATOM 849 CB GLU A 65 -3.261 -18.738 12.052 1.00 0.00 C ATOM 850 CG GLU A 65 -3.538 -20.223 12.225 1.00 0.00 C ATOM 851 CD GLU A 65 -3.649 -20.630 13.682 1.00 0.00 C ATOM 852 OE1 GLU A 65 -2.597 -20.815 14.328 1.00 0.00 O ATOM 853 OE2 GLU A 65 -4.788 -20.764 14.175 1.00 0.00 O ATOM 0 H GLU A 65 -2.824 -16.398 11.403 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.635 -18.838 9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.269 -18.514 12.444 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.975 -18.172 12.650 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.463 -20.479 11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.740 -20.795 11.752 1.00 0.00 H new ATOM 860 N ASP A 66 -5.569 -17.460 10.084 1.00 0.00 N ATOM 861 CA ASP A 66 -6.938 -17.554 9.589 1.00 0.00 C ATOM 862 C ASP A 66 -6.968 -17.558 8.065 1.00 0.00 C ATOM 863 O ASP A 66 -7.938 -18.001 7.453 1.00 0.00 O ATOM 864 CB ASP A 66 -7.775 -16.392 10.125 1.00 0.00 C ATOM 865 CG ASP A 66 -9.212 -16.442 9.641 1.00 0.00 C ATOM 866 OD1 ASP A 66 -9.672 -17.539 9.263 1.00 0.00 O ATOM 867 OD2 ASP A 66 -9.874 -15.383 9.639 1.00 0.00 O ATOM 0 H ASP A 66 -5.313 -16.542 10.447 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.363 -18.493 9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.761 -16.410 11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.323 -15.449 9.816 1.00 0.00 H new ATOM 872 N GLY A 67 -5.895 -17.060 7.456 1.00 0.00 N ATOM 873 CA GLY A 67 -5.818 -17.013 6.007 1.00 0.00 C ATOM 874 C GLY A 67 -5.939 -15.604 5.465 1.00 0.00 C ATOM 875 O GLY A 67 -6.306 -15.404 4.306 1.00 0.00 O ATOM 0 H GLY A 67 -5.078 -16.688 7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.871 -17.443 5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.610 -17.631 5.584 1.00 0.00 H new ATOM 879 N THR A 68 -5.631 -14.620 6.304 1.00 0.00 N ATOM 880 CA THR A 68 -5.710 -13.221 5.903 1.00 0.00 C ATOM 881 C THR A 68 -4.323 -12.594 5.822 1.00 0.00 C ATOM 882 O THR A 68 -3.388 -13.042 6.485 1.00 0.00 O ATOM 883 CB THR A 68 -6.574 -12.403 6.883 1.00 0.00 C ATOM 884 OG1 THR A 68 -6.033 -12.494 8.205 1.00 0.00 O ATOM 885 CG2 THR A 68 -8.011 -12.900 6.882 1.00 0.00 C ATOM 0 H THR A 68 -5.324 -14.766 7.266 1.00 0.00 H new ATOM 0 HA THR A 68 -6.174 -13.200 4.917 1.00 0.00 H new ATOM 0 HB THR A 68 -6.567 -11.362 6.559 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.586 -11.970 8.822 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.601 -12.308 7.581 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.429 -12.802 5.880 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.034 -13.947 7.184 1.00 0.00 H new ATOM 893 N TYR A 69 -4.197 -11.553 5.005 1.00 0.00 N ATOM 894 CA TYR A 69 -2.923 -10.866 4.834 1.00 0.00 C ATOM 895 C TYR A 69 -3.061 -9.378 5.144 1.00 0.00 C ATOM 896 O TYR A 69 -3.955 -8.706 4.630 1.00 0.00 O ATOM 897 CB TYR A 69 -2.403 -11.055 3.408 1.00 0.00 C ATOM 898 CG TYR A 69 -2.141 -12.499 3.046 1.00 0.00 C ATOM 899 CD1 TYR A 69 -3.185 -13.412 2.948 1.00 0.00 C ATOM 900 CD2 TYR A 69 -0.850 -12.951 2.801 1.00 0.00 C ATOM 901 CE1 TYR A 69 -2.950 -14.733 2.619 1.00 0.00 C ATOM 902 CE2 TYR A 69 -0.606 -14.270 2.470 1.00 0.00 C ATOM 903 CZ TYR A 69 -1.660 -15.157 2.379 1.00 0.00 C ATOM 904 OH TYR A 69 -1.421 -16.471 2.050 1.00 0.00 O ATOM 0 H TYR A 69 -4.962 -11.167 4.451 1.00 0.00 H new ATOM 0 HA TYR A 69 -2.209 -11.301 5.534 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.128 -10.639 2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.481 -10.486 3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.197 -13.083 3.132 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.023 -12.259 2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.772 -15.430 2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.404 -14.605 2.284 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.711 -16.635 1.128 1.00 0.00 H new ATOM 914 N ASP A 70 -2.169 -8.871 5.988 1.00 0.00 N ATOM 915 CA ASP A 70 -2.189 -7.463 6.367 1.00 0.00 C ATOM 916 C ASP A 70 -1.103 -6.687 5.628 1.00 0.00 C ATOM 917 O ASP A 70 0.052 -7.109 5.581 1.00 0.00 O ATOM 918 CB ASP A 70 -1.999 -7.316 7.877 1.00 0.00 C ATOM 919 CG ASP A 70 -3.186 -7.841 8.662 1.00 0.00 C ATOM 920 OD1 ASP A 70 -3.611 -8.985 8.401 1.00 0.00 O ATOM 921 OD2 ASP A 70 -3.686 -7.108 9.540 1.00 0.00 O ATOM 0 H ASP A 70 -1.423 -9.414 6.423 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.159 -7.051 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.100 -7.852 8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.842 -6.265 8.120 1.00 0.00 H new ATOM 926 N ILE A 71 -1.482 -5.551 5.051 1.00 0.00 N ATOM 927 CA ILE A 71 -0.541 -4.717 4.315 1.00 0.00 C ATOM 928 C ILE A 71 -0.625 -3.263 4.769 1.00 0.00 C ATOM 929 O ILE A 71 -1.715 -2.726 4.971 1.00 0.00 O ATOM 930 CB ILE A 71 -0.797 -4.785 2.798 1.00 0.00 C ATOM 931 CG1 ILE A 71 -0.715 -6.233 2.310 1.00 0.00 C ATOM 932 CG2 ILE A 71 0.202 -3.911 2.053 1.00 0.00 C ATOM 933 CD1 ILE A 71 -1.579 -6.511 1.099 1.00 0.00 C ATOM 0 H ILE A 71 -2.435 -5.188 5.079 1.00 0.00 H new ATOM 0 HA ILE A 71 0.456 -5.104 4.525 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.800 -4.410 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.322 -6.469 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.013 -6.899 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.009 -3.969 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.100 -2.878 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.214 -4.259 2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.472 -7.556 0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.622 -6.307 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.266 -5.871 0.274 1.00 0.00 H new ATOM 945 N PHE A 72 0.533 -2.630 4.925 1.00 0.00 N ATOM 946 CA PHE A 72 0.592 -1.237 5.353 1.00 0.00 C ATOM 947 C PHE A 72 1.510 -0.427 4.443 1.00 0.00 C ATOM 948 O PHE A 72 2.535 -0.924 3.975 1.00 0.00 O ATOM 949 CB PHE A 72 1.080 -1.147 6.800 1.00 0.00 C ATOM 950 CG PHE A 72 0.417 -2.133 7.719 1.00 0.00 C ATOM 951 CD1 PHE A 72 0.693 -3.487 7.619 1.00 0.00 C ATOM 952 CD2 PHE A 72 -0.482 -1.706 8.682 1.00 0.00 C ATOM 953 CE1 PHE A 72 0.085 -4.396 8.464 1.00 0.00 C ATOM 954 CE2 PHE A 72 -1.093 -2.611 9.530 1.00 0.00 C ATOM 955 CZ PHE A 72 -0.810 -3.957 9.419 1.00 0.00 C ATOM 0 H PHE A 72 1.444 -3.060 4.761 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.413 -0.820 5.289 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.158 -1.310 6.822 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.902 -0.138 7.173 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.391 -3.836 6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.708 -0.654 8.772 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.310 -5.449 8.377 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.791 -2.265 10.278 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.288 -4.666 10.078 1.00 0.00 H new ATOM 965 N TYR A 73 1.134 0.823 4.195 1.00 0.00 N ATOM 966 CA TYR A 73 1.921 1.703 3.339 1.00 0.00 C ATOM 967 C TYR A 73 1.653 3.167 3.671 1.00 0.00 C ATOM 968 O TYR A 73 0.590 3.518 4.182 1.00 0.00 O ATOM 969 CB TYR A 73 1.602 1.435 1.867 1.00 0.00 C ATOM 970 CG TYR A 73 0.290 2.033 1.413 1.00 0.00 C ATOM 971 CD1 TYR A 73 0.172 3.395 1.165 1.00 0.00 C ATOM 972 CD2 TYR A 73 -0.833 1.235 1.232 1.00 0.00 C ATOM 973 CE1 TYR A 73 -1.025 3.945 0.752 1.00 0.00 C ATOM 974 CE2 TYR A 73 -2.035 1.777 0.817 1.00 0.00 C ATOM 975 CZ TYR A 73 -2.126 3.133 0.578 1.00 0.00 C ATOM 976 OH TYR A 73 -3.321 3.677 0.165 1.00 0.00 O ATOM 0 H TYR A 73 0.289 1.250 4.575 1.00 0.00 H new ATOM 0 HA TYR A 73 2.976 1.496 3.519 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.407 1.836 1.251 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.578 0.358 1.699 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.032 4.035 1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.766 0.173 1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.099 5.006 0.566 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.898 1.143 0.681 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.019 3.469 0.820 1.00 0.00 H new ATOM 986 N THR A 74 2.628 4.022 3.374 1.00 0.00 N ATOM 987 CA THR A 74 2.500 5.449 3.640 1.00 0.00 C ATOM 988 C THR A 74 2.731 6.267 2.375 1.00 0.00 C ATOM 989 O THR A 74 3.545 5.902 1.527 1.00 0.00 O ATOM 990 CB THR A 74 3.494 5.910 4.723 1.00 0.00 C ATOM 991 OG1 THR A 74 3.268 5.185 5.937 1.00 0.00 O ATOM 992 CG2 THR A 74 3.356 7.402 4.985 1.00 0.00 C ATOM 0 H THR A 74 3.515 3.750 2.949 1.00 0.00 H new ATOM 0 HA THR A 74 1.483 5.614 3.996 1.00 0.00 H new ATOM 0 HB THR A 74 4.504 5.712 4.365 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.905 5.483 6.619 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.068 7.704 5.753 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.558 7.953 4.066 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.343 7.620 5.323 1.00 0.00 H new ATOM 1000 N ALA A 75 2.008 7.377 2.254 1.00 0.00 N ATOM 1001 CA ALA A 75 2.136 8.248 1.092 1.00 0.00 C ATOM 1002 C ALA A 75 2.671 9.618 1.491 1.00 0.00 C ATOM 1003 O ALA A 75 1.907 10.510 1.862 1.00 0.00 O ATOM 1004 CB ALA A 75 0.794 8.387 0.387 1.00 0.00 C ATOM 0 H ALA A 75 1.329 7.693 2.946 1.00 0.00 H new ATOM 0 HA ALA A 75 2.850 7.795 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.904 9.040 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.451 7.405 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.065 8.815 1.074 1.00 0.00 H new ATOM 1010 N ALA A 76 3.988 9.781 1.410 1.00 0.00 N ATOM 1011 CA ALA A 76 4.625 11.044 1.762 1.00 0.00 C ATOM 1012 C ALA A 76 4.105 12.182 0.890 1.00 0.00 C ATOM 1013 O ALA A 76 3.584 13.177 1.395 1.00 0.00 O ATOM 1014 CB ALA A 76 6.136 10.926 1.634 1.00 0.00 C ATOM 0 H ALA A 76 4.634 9.054 1.104 1.00 0.00 H new ATOM 0 HA ALA A 76 4.376 11.272 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.599 11.876 1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.498 10.146 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.395 10.671 0.606 1.00 0.00 H new ATOM 1020 N LYS A 77 4.251 12.030 -0.422 1.00 0.00 N ATOM 1021 CA LYS A 77 3.795 13.044 -1.366 1.00 0.00 C ATOM 1022 C LYS A 77 2.424 12.687 -1.929 1.00 0.00 C ATOM 1023 O LYS A 77 2.073 11.516 -2.079 1.00 0.00 O ATOM 1024 CB LYS A 77 4.803 13.197 -2.507 1.00 0.00 C ATOM 1025 CG LYS A 77 6.189 13.610 -2.043 1.00 0.00 C ATOM 1026 CD LYS A 77 6.804 12.567 -1.124 1.00 0.00 C ATOM 1027 CE LYS A 77 8.315 12.722 -1.038 1.00 0.00 C ATOM 1028 NZ LYS A 77 8.988 11.427 -0.742 1.00 0.00 N ATOM 0 H LYS A 77 4.682 11.214 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 77 3.713 13.991 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.876 12.252 -3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.430 13.938 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.834 13.759 -2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.129 14.565 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.371 12.657 -0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.560 11.569 -1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.693 13.122 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.562 13.446 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.016 11.574 -0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.646 11.058 0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.773 10.744 -1.496 1.00 0.00 H new ATOM 1042 N PRO A 78 1.628 13.717 -2.250 1.00 0.00 N ATOM 1043 CA PRO A 78 0.283 13.537 -2.804 1.00 0.00 C ATOM 1044 C PRO A 78 0.311 12.987 -4.227 1.00 0.00 C ATOM 1045 O PRO A 78 1.378 12.749 -4.790 1.00 0.00 O ATOM 1046 CB PRO A 78 -0.300 14.951 -2.789 1.00 0.00 C ATOM 1047 CG PRO A 78 0.886 15.851 -2.844 1.00 0.00 C ATOM 1048 CD PRO A 78 1.980 15.139 -2.098 1.00 0.00 C ATOM 0 HA PRO A 78 -0.300 12.815 -2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.961 15.115 -3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.889 15.127 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.180 16.047 -3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.666 16.816 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.961 15.357 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.010 15.436 -1.050 1.00 0.00 H new ATOM 1056 N GLY A 79 -0.871 12.790 -4.804 1.00 0.00 N ATOM 1057 CA GLY A 79 -0.959 12.271 -6.156 1.00 0.00 C ATOM 1058 C GLY A 79 -1.877 11.069 -6.256 1.00 0.00 C ATOM 1059 O GLY A 79 -2.783 10.898 -5.439 1.00 0.00 O ATOM 0 H GLY A 79 -1.769 12.981 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.319 13.056 -6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.037 11.994 -6.501 1.00 0.00 H new ATOM 1063 N THR A 80 -1.646 10.232 -7.263 1.00 0.00 N ATOM 1064 CA THR A 80 -2.460 9.041 -7.471 1.00 0.00 C ATOM 1065 C THR A 80 -1.619 7.774 -7.361 1.00 0.00 C ATOM 1066 O THR A 80 -0.932 7.390 -8.308 1.00 0.00 O ATOM 1067 CB THR A 80 -3.153 9.067 -8.846 1.00 0.00 C ATOM 1068 OG1 THR A 80 -3.978 10.232 -8.957 1.00 0.00 O ATOM 1069 CG2 THR A 80 -3.998 7.818 -9.049 1.00 0.00 C ATOM 0 H THR A 80 -0.901 10.358 -7.948 1.00 0.00 H new ATOM 0 HA THR A 80 -3.220 9.037 -6.690 1.00 0.00 H new ATOM 0 HB THR A 80 -2.383 9.094 -9.617 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.438 10.390 -8.106 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.478 7.858 -10.027 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.361 6.935 -8.993 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.761 7.765 -8.272 1.00 0.00 H new ATOM 1077 N TYR A 81 -1.678 7.129 -6.202 1.00 0.00 N ATOM 1078 CA TYR A 81 -0.920 5.905 -5.968 1.00 0.00 C ATOM 1079 C TYR A 81 -1.643 4.697 -6.556 1.00 0.00 C ATOM 1080 O TYR A 81 -2.858 4.555 -6.415 1.00 0.00 O ATOM 1081 CB TYR A 81 -0.694 5.699 -4.470 1.00 0.00 C ATOM 1082 CG TYR A 81 0.326 6.644 -3.876 1.00 0.00 C ATOM 1083 CD1 TYR A 81 0.137 8.020 -3.922 1.00 0.00 C ATOM 1084 CD2 TYR A 81 1.480 6.161 -3.271 1.00 0.00 C ATOM 1085 CE1 TYR A 81 1.065 8.887 -3.381 1.00 0.00 C ATOM 1086 CE2 TYR A 81 2.414 7.022 -2.726 1.00 0.00 C ATOM 1087 CZ TYR A 81 2.202 8.383 -2.784 1.00 0.00 C ATOM 1088 OH TYR A 81 3.131 9.244 -2.244 1.00 0.00 O ATOM 0 H TYR A 81 -2.243 7.433 -5.409 1.00 0.00 H new ATOM 0 HA TYR A 81 0.046 6.005 -6.464 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.642 5.826 -3.947 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.370 4.673 -4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.752 8.418 -4.389 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.650 5.095 -3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.902 9.954 -3.425 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.305 6.631 -2.257 1.00 0.00 H new ATOM 0 HH TYR A 81 2.890 10.167 -2.467 1.00 0.00 H new ATOM 1098 N VAL A 82 -0.885 3.826 -7.216 1.00 0.00 N ATOM 1099 CA VAL A 82 -1.451 2.627 -7.825 1.00 0.00 C ATOM 1100 C VAL A 82 -0.976 1.370 -7.106 1.00 0.00 C ATOM 1101 O VAL A 82 0.210 1.040 -7.129 1.00 0.00 O ATOM 1102 CB VAL A 82 -1.078 2.526 -9.316 1.00 0.00 C ATOM 1103 CG1 VAL A 82 -1.493 1.175 -9.879 1.00 0.00 C ATOM 1104 CG2 VAL A 82 -1.717 3.660 -10.103 1.00 0.00 C ATOM 0 H VAL A 82 0.122 3.928 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.534 2.706 -7.734 1.00 0.00 H new ATOM 0 HB VAL A 82 0.004 2.615 -9.409 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.222 1.121 -10.933 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.984 0.381 -9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.571 1.053 -9.775 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.443 3.573 -11.154 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.801 3.605 -10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.366 4.616 -9.714 1.00 0.00 H new ATOM 1114 N ILE A 83 -1.909 0.671 -6.469 1.00 0.00 N ATOM 1115 CA ILE A 83 -1.586 -0.552 -5.745 1.00 0.00 C ATOM 1116 C ILE A 83 -2.018 -1.786 -6.529 1.00 0.00 C ATOM 1117 O ILE A 83 -3.167 -1.888 -6.961 1.00 0.00 O ATOM 1118 CB ILE A 83 -2.255 -0.579 -4.358 1.00 0.00 C ATOM 1119 CG1 ILE A 83 -1.887 0.678 -3.566 1.00 0.00 C ATOM 1120 CG2 ILE A 83 -1.846 -1.830 -3.596 1.00 0.00 C ATOM 1121 CD1 ILE A 83 -2.909 1.050 -2.515 1.00 0.00 C ATOM 0 H ILE A 83 -2.895 0.931 -6.440 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.504 -0.566 -5.618 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.336 -0.598 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.921 0.524 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.769 1.512 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.327 -1.834 -2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.154 -2.714 -4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.764 -1.840 -3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.583 1.950 -1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.871 1.236 -2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.010 0.233 -1.801 1.00 0.00 H new ATOM 1133 N TYR A 84 -1.092 -2.721 -6.708 1.00 0.00 N ATOM 1134 CA TYR A 84 -1.377 -3.949 -7.442 1.00 0.00 C ATOM 1135 C TYR A 84 -1.491 -5.136 -6.491 1.00 0.00 C ATOM 1136 O TYR A 84 -0.526 -5.505 -5.820 1.00 0.00 O ATOM 1137 CB TYR A 84 -0.284 -4.213 -8.478 1.00 0.00 C ATOM 1138 CG TYR A 84 -0.238 -3.187 -9.587 1.00 0.00 C ATOM 1139 CD1 TYR A 84 -1.173 -3.204 -10.615 1.00 0.00 C ATOM 1140 CD2 TYR A 84 0.739 -2.199 -9.607 1.00 0.00 C ATOM 1141 CE1 TYR A 84 -1.135 -2.269 -11.630 1.00 0.00 C ATOM 1142 CE2 TYR A 84 0.783 -1.259 -10.617 1.00 0.00 C ATOM 1143 CZ TYR A 84 -0.155 -1.298 -11.627 1.00 0.00 C ATOM 1144 OH TYR A 84 -0.114 -0.364 -12.637 1.00 0.00 O ATOM 0 H TYR A 84 -0.137 -2.653 -6.355 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.331 -3.824 -7.955 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.683 -4.235 -7.975 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.440 -5.200 -8.914 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.943 -3.962 -10.620 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.477 -2.166 -8.819 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.869 -2.298 -12.422 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.548 -0.497 -10.616 1.00 0.00 H new ATOM 0 HH TYR A 84 0.636 0.249 -12.486 1.00 0.00 H new ATOM 1154 N VAL A 85 -2.678 -5.732 -6.439 1.00 0.00 N ATOM 1155 CA VAL A 85 -2.920 -6.880 -5.573 1.00 0.00 C ATOM 1156 C VAL A 85 -3.136 -8.149 -6.390 1.00 0.00 C ATOM 1157 O VAL A 85 -3.941 -8.171 -7.321 1.00 0.00 O ATOM 1158 CB VAL A 85 -4.145 -6.651 -4.668 1.00 0.00 C ATOM 1159 CG1 VAL A 85 -4.153 -7.647 -3.518 1.00 0.00 C ATOM 1160 CG2 VAL A 85 -4.161 -5.222 -4.145 1.00 0.00 C ATOM 0 H VAL A 85 -3.487 -5.439 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.034 -6.999 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.047 -6.808 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.026 -7.470 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.192 -8.661 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.247 -7.524 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.033 -5.078 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.255 -5.035 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.206 -4.528 -4.984 1.00 0.00 H new ATOM 1170 N ARG A 86 -2.412 -9.205 -6.034 1.00 0.00 N ATOM 1171 CA ARG A 86 -2.524 -10.479 -6.735 1.00 0.00 C ATOM 1172 C ARG A 86 -2.705 -11.628 -5.748 1.00 0.00 C ATOM 1173 O ARG A 86 -2.132 -11.622 -4.658 1.00 0.00 O ATOM 1174 CB ARG A 86 -1.282 -10.723 -7.595 1.00 0.00 C ATOM 1175 CG ARG A 86 -0.940 -12.193 -7.767 1.00 0.00 C ATOM 1176 CD ARG A 86 0.285 -12.381 -8.649 1.00 0.00 C ATOM 1177 NE ARG A 86 1.032 -13.586 -8.298 1.00 0.00 N ATOM 1178 CZ ARG A 86 2.039 -14.063 -9.023 1.00 0.00 C ATOM 1179 NH1 ARG A 86 2.415 -13.440 -10.131 1.00 0.00 N ATOM 1180 NH2 ARG A 86 2.670 -15.164 -8.640 1.00 0.00 N ATOM 0 H ARG A 86 -1.742 -9.204 -5.265 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.402 -10.434 -7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.438 -10.278 -8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.432 -10.211 -7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.759 -12.642 -6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.789 -12.716 -8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.025 -12.438 -9.693 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.935 -11.511 -8.556 1.00 0.00 H new ATOM 0 HE ARG A 86 0.767 -14.089 -7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.931 -12.593 -10.429 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.188 -13.808 -10.686 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.383 -15.646 -7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.443 -15.529 -9.197 1.00 0.00 H new ATOM 1194 N PHE A 87 -3.507 -12.613 -6.136 1.00 0.00 N ATOM 1195 CA PHE A 87 -3.766 -13.769 -5.285 1.00 0.00 C ATOM 1196 C PHE A 87 -3.529 -15.069 -6.046 1.00 0.00 C ATOM 1197 O PHE A 87 -4.327 -15.458 -6.898 1.00 0.00 O ATOM 1198 CB PHE A 87 -5.203 -13.729 -4.758 1.00 0.00 C ATOM 1199 CG PHE A 87 -5.577 -14.936 -3.945 1.00 0.00 C ATOM 1200 CD1 PHE A 87 -5.299 -14.987 -2.589 1.00 0.00 C ATOM 1201 CD2 PHE A 87 -6.206 -16.018 -4.539 1.00 0.00 C ATOM 1202 CE1 PHE A 87 -5.642 -16.097 -1.839 1.00 0.00 C ATOM 1203 CE2 PHE A 87 -6.551 -17.131 -3.794 1.00 0.00 C ATOM 1204 CZ PHE A 87 -6.270 -17.169 -2.442 1.00 0.00 C ATOM 0 H PHE A 87 -3.989 -12.634 -7.035 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.075 -13.730 -4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.333 -12.835 -4.148 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.888 -13.642 -5.601 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.809 -14.151 -2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.429 -15.992 -5.595 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.419 -16.126 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.039 -17.969 -4.269 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.541 -18.036 -1.857 1.00 0.00 H new ATOM 1214 N GLY A 88 -2.423 -15.738 -5.733 1.00 0.00 N ATOM 1215 CA GLY A 88 -2.099 -16.987 -6.397 1.00 0.00 C ATOM 1216 C GLY A 88 -1.943 -16.824 -7.897 1.00 0.00 C ATOM 1217 O GLY A 88 -2.495 -17.602 -8.673 1.00 0.00 O ATOM 0 H GLY A 88 -1.746 -15.437 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.175 -17.387 -5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.883 -17.717 -6.194 1.00 0.00 H new ATOM 1221 N GLY A 89 -1.190 -15.807 -8.304 1.00 0.00 N ATOM 1222 CA GLY A 89 -0.979 -15.562 -9.720 1.00 0.00 C ATOM 1223 C GLY A 89 -2.246 -15.120 -10.426 1.00 0.00 C ATOM 1224 O GLY A 89 -2.403 -15.338 -11.628 1.00 0.00 O ATOM 0 H GLY A 89 -0.723 -15.149 -7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.212 -14.797 -9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.602 -16.470 -10.191 1.00 0.00 H new ATOM 1228 N VAL A 90 -3.154 -14.501 -9.680 1.00 0.00 N ATOM 1229 CA VAL A 90 -4.413 -14.029 -10.242 1.00 0.00 C ATOM 1230 C VAL A 90 -4.748 -12.629 -9.741 1.00 0.00 C ATOM 1231 O VAL A 90 -5.144 -12.448 -8.589 1.00 0.00 O ATOM 1232 CB VAL A 90 -5.574 -14.979 -9.892 1.00 0.00 C ATOM 1233 CG1 VAL A 90 -6.864 -14.511 -10.550 1.00 0.00 C ATOM 1234 CG2 VAL A 90 -5.241 -16.404 -10.306 1.00 0.00 C ATOM 0 H VAL A 90 -3.041 -14.314 -8.684 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.287 -14.004 -11.324 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.719 -14.964 -8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.673 -15.194 -10.292 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.109 -13.509 -10.198 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.735 -14.494 -11.632 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.073 -17.061 -10.051 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.067 -16.439 -11.382 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.344 -16.735 -9.783 1.00 0.00 H new ATOM 1244 N ASP A 91 -4.587 -11.641 -10.614 1.00 0.00 N ATOM 1245 CA ASP A 91 -4.874 -10.255 -10.262 1.00 0.00 C ATOM 1246 C ASP A 91 -6.375 -10.037 -10.092 1.00 0.00 C ATOM 1247 O ASP A 91 -7.136 -10.107 -11.057 1.00 0.00 O ATOM 1248 CB ASP A 91 -4.328 -9.311 -11.335 1.00 0.00 C ATOM 1249 CG ASP A 91 -4.473 -7.851 -10.949 1.00 0.00 C ATOM 1250 OD1 ASP A 91 -3.872 -7.444 -9.933 1.00 0.00 O ATOM 1251 OD2 ASP A 91 -5.186 -7.118 -11.663 1.00 0.00 O ATOM 0 H ASP A 91 -4.259 -11.774 -11.571 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.383 -10.038 -9.313 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.276 -9.535 -11.511 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.853 -9.490 -12.273 1.00 0.00 H new ATOM 1256 N ILE A 92 -6.792 -9.773 -8.858 1.00 0.00 N ATOM 1257 CA ILE A 92 -8.201 -9.546 -8.561 1.00 0.00 C ATOM 1258 C ILE A 92 -8.810 -8.537 -9.528 1.00 0.00 C ATOM 1259 O ILE A 92 -8.121 -7.688 -10.094 1.00 0.00 O ATOM 1260 CB ILE A 92 -8.397 -9.041 -7.119 1.00 0.00 C ATOM 1261 CG1 ILE A 92 -7.442 -7.882 -6.826 1.00 0.00 C ATOM 1262 CG2 ILE A 92 -8.183 -10.176 -6.128 1.00 0.00 C ATOM 1263 CD1 ILE A 92 -7.439 -7.456 -5.375 1.00 0.00 C ATOM 0 H ILE A 92 -6.175 -9.711 -8.048 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.707 -10.505 -8.674 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.419 -8.679 -7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.432 -8.173 -7.113 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.717 -7.029 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.325 -9.804 -5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.900 -10.972 -6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.170 -10.565 -6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.740 -6.631 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.440 -7.134 -5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.135 -8.296 -4.750 1.00 0.00 H new ATOM 1275 N PRO A 93 -10.134 -8.628 -9.722 1.00 0.00 N ATOM 1276 CA PRO A 93 -10.866 -7.729 -10.620 1.00 0.00 C ATOM 1277 C PRO A 93 -10.946 -6.307 -10.077 1.00 0.00 C ATOM 1278 O PRO A 93 -11.573 -5.437 -10.679 1.00 0.00 O ATOM 1279 CB PRO A 93 -12.262 -8.355 -10.686 1.00 0.00 C ATOM 1280 CG PRO A 93 -12.397 -9.117 -9.413 1.00 0.00 C ATOM 1281 CD PRO A 93 -11.018 -9.617 -9.081 1.00 0.00 C ATOM 0 HA PRO A 93 -10.379 -7.636 -11.590 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.035 -7.591 -10.774 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.362 -9.010 -11.552 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.784 -8.481 -8.617 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.096 -9.946 -9.527 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.856 -9.663 -8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.849 -10.620 -9.472 1.00 0.00 H new ATOM 1289 N ASN A 94 -10.305 -6.077 -8.935 1.00 0.00 N ATOM 1290 CA ASN A 94 -10.304 -4.759 -8.310 1.00 0.00 C ATOM 1291 C ASN A 94 -8.968 -4.055 -8.529 1.00 0.00 C ATOM 1292 O ASN A 94 -8.817 -2.875 -8.212 1.00 0.00 O ATOM 1293 CB ASN A 94 -10.590 -4.881 -6.812 1.00 0.00 C ATOM 1294 CG ASN A 94 -12.070 -5.024 -6.516 1.00 0.00 C ATOM 1295 OD1 ASN A 94 -12.858 -4.117 -6.782 1.00 0.00 O ATOM 1296 ND2 ASN A 94 -12.455 -6.167 -5.960 1.00 0.00 N ATOM 0 H ASN A 94 -9.780 -6.786 -8.424 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.089 -4.163 -8.775 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.057 -5.744 -6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.203 -4.001 -6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.438 -6.320 -5.736 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.767 -6.892 -5.757 1.00 0.00 H new ATOM 1303 N SER A 95 -8.001 -4.787 -9.074 1.00 0.00 N ATOM 1304 CA SER A 95 -6.678 -4.234 -9.334 1.00 0.00 C ATOM 1305 C SER A 95 -6.548 -3.792 -10.788 1.00 0.00 C ATOM 1306 O SER A 95 -7.090 -4.413 -11.703 1.00 0.00 O ATOM 1307 CB SER A 95 -5.598 -5.267 -9.004 1.00 0.00 C ATOM 1308 OG SER A 95 -4.431 -4.642 -8.501 1.00 0.00 O ATOM 0 H SER A 95 -8.110 -5.765 -9.344 1.00 0.00 H new ATOM 0 HA SER A 95 -6.544 -3.361 -8.695 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.980 -5.975 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.351 -5.838 -9.899 1.00 0.00 H new ATOM 0 HG SER A 95 -3.776 -4.542 -9.223 1.00 0.00 H new ATOM 1314 N PRO A 96 -5.813 -2.692 -11.008 1.00 0.00 N ATOM 1315 CA PRO A 96 -5.164 -1.945 -9.927 1.00 0.00 C ATOM 1316 C PRO A 96 -6.168 -1.215 -9.042 1.00 0.00 C ATOM 1317 O PRO A 96 -7.377 -1.291 -9.265 1.00 0.00 O ATOM 1318 CB PRO A 96 -4.278 -0.942 -10.671 1.00 0.00 C ATOM 1319 CG PRO A 96 -4.937 -0.766 -11.996 1.00 0.00 C ATOM 1320 CD PRO A 96 -5.558 -2.093 -12.329 1.00 0.00 C ATOM 0 HA PRO A 96 -4.615 -2.601 -9.251 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.212 0.004 -10.133 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.261 -1.318 -10.781 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.692 0.019 -11.955 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.213 -0.472 -12.756 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.478 -1.974 -12.900 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.889 -2.711 -12.928 1.00 0.00 H new ATOM 1328 N PHE A 97 -5.662 -0.509 -8.038 1.00 0.00 N ATOM 1329 CA PHE A 97 -6.516 0.235 -7.119 1.00 0.00 C ATOM 1330 C PHE A 97 -6.157 1.719 -7.123 1.00 0.00 C ATOM 1331 O PHE A 97 -5.032 2.099 -6.798 1.00 0.00 O ATOM 1332 CB PHE A 97 -6.387 -0.328 -5.701 1.00 0.00 C ATOM 1333 CG PHE A 97 -6.999 -1.690 -5.540 1.00 0.00 C ATOM 1334 CD1 PHE A 97 -6.459 -2.788 -6.190 1.00 0.00 C ATOM 1335 CD2 PHE A 97 -8.114 -1.872 -4.739 1.00 0.00 C ATOM 1336 CE1 PHE A 97 -7.019 -4.042 -6.044 1.00 0.00 C ATOM 1337 CE2 PHE A 97 -8.679 -3.125 -4.588 1.00 0.00 C ATOM 1338 CZ PHE A 97 -8.130 -4.211 -5.242 1.00 0.00 C ATOM 0 H PHE A 97 -4.664 -0.436 -7.839 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.548 0.128 -7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.332 -0.378 -5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.861 0.360 -5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.590 -2.662 -6.818 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.547 -1.026 -4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.588 -4.889 -6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.548 -3.254 -3.960 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.569 -5.191 -5.126 1.00 0.00 H new ATOM 1348 N THR A 98 -7.123 2.553 -7.495 1.00 0.00 N ATOM 1349 CA THR A 98 -6.911 3.994 -7.544 1.00 0.00 C ATOM 1350 C THR A 98 -6.944 4.603 -6.147 1.00 0.00 C ATOM 1351 O THR A 98 -7.989 4.632 -5.497 1.00 0.00 O ATOM 1352 CB THR A 98 -7.970 4.689 -8.420 1.00 0.00 C ATOM 1353 OG1 THR A 98 -7.913 4.178 -9.757 1.00 0.00 O ATOM 1354 CG2 THR A 98 -7.756 6.194 -8.437 1.00 0.00 C ATOM 0 H THR A 98 -8.060 2.255 -7.767 1.00 0.00 H new ATOM 0 HA THR A 98 -5.926 4.153 -7.983 1.00 0.00 H new ATOM 0 HB THR A 98 -8.952 4.483 -7.995 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.591 4.624 -10.307 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.516 6.663 -9.062 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.831 6.584 -7.422 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.768 6.416 -8.839 1.00 0.00 H new ATOM 1362 N VAL A 99 -5.795 5.089 -5.690 1.00 0.00 N ATOM 1363 CA VAL A 99 -5.693 5.699 -4.370 1.00 0.00 C ATOM 1364 C VAL A 99 -5.169 7.128 -4.464 1.00 0.00 C ATOM 1365 O VAL A 99 -4.016 7.354 -4.829 1.00 0.00 O ATOM 1366 CB VAL A 99 -4.769 4.885 -3.445 1.00 0.00 C ATOM 1367 CG1 VAL A 99 -4.610 5.582 -2.102 1.00 0.00 C ATOM 1368 CG2 VAL A 99 -5.308 3.474 -3.263 1.00 0.00 C ATOM 0 H VAL A 99 -4.921 5.072 -6.215 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.698 5.710 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.786 4.816 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.954 4.992 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.176 6.570 -2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.586 5.683 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.643 2.912 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.303 3.519 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.365 2.978 -4.232 1.00 0.00 H new ATOM 1378 N MET A 100 -6.025 8.089 -4.131 1.00 0.00 N ATOM 1379 CA MET A 100 -5.648 9.497 -4.176 1.00 0.00 C ATOM 1380 C MET A 100 -5.211 9.987 -2.799 1.00 0.00 C ATOM 1381 O MET A 100 -6.017 10.056 -1.871 1.00 0.00 O ATOM 1382 CB MET A 100 -6.815 10.344 -4.686 1.00 0.00 C ATOM 1383 CG MET A 100 -6.395 11.712 -5.199 1.00 0.00 C ATOM 1384 SD MET A 100 -5.868 11.675 -6.923 1.00 0.00 S ATOM 1385 CE MET A 100 -5.008 13.241 -7.048 1.00 0.00 C ATOM 0 H MET A 100 -6.984 7.918 -3.827 1.00 0.00 H new ATOM 0 HA MET A 100 -4.807 9.601 -4.862 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.322 9.805 -5.486 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.538 10.473 -3.881 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.228 12.407 -5.092 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.581 12.093 -4.582 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.622 13.365 -8.060 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.698 14.054 -6.821 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.180 13.259 -6.340 1.00 0.00 H new ATOM 1395 N ALA A 101 -3.932 10.327 -2.674 1.00 0.00 N ATOM 1396 CA ALA A 101 -3.391 10.812 -1.411 1.00 0.00 C ATOM 1397 C ALA A 101 -3.499 12.330 -1.314 1.00 0.00 C ATOM 1398 O ALA A 101 -3.105 13.051 -2.233 1.00 0.00 O ATOM 1399 CB ALA A 101 -1.943 10.372 -1.253 1.00 0.00 C ATOM 0 H ALA A 101 -3.252 10.275 -3.432 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.980 10.380 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.552 10.741 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.890 9.283 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.349 10.776 -2.073 1.00 0.00 H new ATOM 1405 N THR A 102 -4.034 12.812 -0.197 1.00 0.00 N ATOM 1406 CA THR A 102 -4.194 14.244 0.018 1.00 0.00 C ATOM 1407 C THR A 102 -3.176 14.766 1.025 1.00 0.00 C ATOM 1408 O THR A 102 -2.756 14.044 1.930 1.00 0.00 O ATOM 1409 CB THR A 102 -5.612 14.582 0.517 1.00 0.00 C ATOM 1410 OG1 THR A 102 -5.990 13.681 1.565 1.00 0.00 O ATOM 1411 CG2 THR A 102 -6.619 14.497 -0.619 1.00 0.00 C ATOM 0 H THR A 102 -4.364 12.231 0.573 1.00 0.00 H new ATOM 0 HA THR A 102 -4.030 14.728 -0.945 1.00 0.00 H new ATOM 0 HB THR A 102 -5.605 15.602 0.900 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.892 13.903 1.878 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.613 14.740 -0.243 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.345 15.204 -1.402 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.622 13.486 -1.027 1.00 0.00 H new ATOM 1419 N ASP A 103 -2.783 16.025 0.863 1.00 0.00 N ATOM 1420 CA ASP A 103 -1.814 16.645 1.760 1.00 0.00 C ATOM 1421 C ASP A 103 -2.418 16.869 3.142 1.00 0.00 C ATOM 1422 O ASP A 103 -1.703 16.941 4.139 1.00 0.00 O ATOM 1423 CB ASP A 103 -1.328 17.975 1.179 1.00 0.00 C ATOM 1424 CG ASP A 103 -0.500 17.791 -0.077 1.00 0.00 C ATOM 1425 OD1 ASP A 103 0.699 17.464 0.047 1.00 0.00 O ATOM 1426 OD2 ASP A 103 -1.050 17.973 -1.183 1.00 0.00 O ATOM 0 H ASP A 103 -3.120 16.636 0.119 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.965 15.969 1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.188 18.606 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.735 18.500 1.928 1.00 0.00 H new ATOM 1431 N GLY A 104 -3.743 16.979 3.193 1.00 0.00 N ATOM 1432 CA GLY A 104 -4.421 17.195 4.457 1.00 0.00 C ATOM 1433 C GLY A 104 -4.497 18.663 4.831 1.00 0.00 C ATOM 1434 O GLY A 104 -4.277 19.534 3.992 1.00 0.00 O ATOM 0 H GLY A 104 -4.358 16.922 2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.429 16.785 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.900 16.649 5.243 1.00 0.00 H new ATOM 1438 N GLU A 105 -4.811 18.934 6.093 1.00 0.00 N ATOM 1439 CA GLU A 105 -4.918 20.306 6.575 1.00 0.00 C ATOM 1440 C GLU A 105 -3.548 20.977 6.618 1.00 0.00 C ATOM 1441 O GLU A 105 -2.689 20.609 7.420 1.00 0.00 O ATOM 1442 CB GLU A 105 -5.554 20.334 7.966 1.00 0.00 C ATOM 1443 CG GLU A 105 -4.792 19.524 9.002 1.00 0.00 C ATOM 1444 CD GLU A 105 -5.635 19.188 10.216 1.00 0.00 C ATOM 1445 OE1 GLU A 105 -6.176 20.124 10.840 1.00 0.00 O ATOM 1446 OE2 GLU A 105 -5.753 17.988 10.542 1.00 0.00 O ATOM 0 H GLU A 105 -4.996 18.222 6.800 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.553 20.858 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.622 21.368 8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.573 19.953 7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -4.436 18.601 8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.912 20.083 9.319 1.00 0.00 H new ATOM 1453 N VAL A 106 -3.350 21.961 5.746 1.00 0.00 N ATOM 1454 CA VAL A 106 -2.084 22.683 5.684 1.00 0.00 C ATOM 1455 C VAL A 106 -1.698 23.233 7.052 1.00 0.00 C ATOM 1456 O VAL A 106 -0.544 23.131 7.471 1.00 0.00 O ATOM 1457 CB VAL A 106 -2.151 23.846 4.676 1.00 0.00 C ATOM 1458 CG1 VAL A 106 -0.852 24.638 4.687 1.00 0.00 C ATOM 1459 CG2 VAL A 106 -2.455 23.323 3.280 1.00 0.00 C ATOM 0 H VAL A 106 -4.049 22.276 5.073 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.328 21.970 5.356 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.959 24.515 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.918 25.455 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.682 25.044 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.024 23.983 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.499 24.158 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -1.671 22.632 2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -3.414 22.804 3.287 1.00 0.00 H new ATOM 1469 N THR A 107 -2.670 23.816 7.747 1.00 0.00 N ATOM 1470 CA THR A 107 -2.432 24.384 9.068 1.00 0.00 C ATOM 1471 C THR A 107 -1.131 25.179 9.099 1.00 0.00 C ATOM 1472 O THR A 107 -0.275 24.955 9.952 1.00 0.00 O ATOM 1473 CB THR A 107 -2.373 23.287 10.148 1.00 0.00 C ATOM 1474 OG1 THR A 107 -3.326 22.258 9.852 1.00 0.00 O ATOM 1475 CG2 THR A 107 -2.658 23.868 11.525 1.00 0.00 C ATOM 0 H THR A 107 -3.631 23.907 7.416 1.00 0.00 H new ATOM 0 HA THR A 107 -3.268 25.050 9.280 1.00 0.00 H new ATOM 0 HB THR A 107 -1.369 22.863 10.151 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.070 21.804 9.022 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.611 23.075 12.271 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.915 24.631 11.759 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.652 24.315 11.533 1.00 0.00 H new ATOM 1483 N ALA A 108 -0.991 26.110 8.161 1.00 0.00 N ATOM 1484 CA ALA A 108 0.204 26.942 8.083 1.00 0.00 C ATOM 1485 C ALA A 108 -0.048 28.187 7.239 1.00 0.00 C ATOM 1486 O ALA A 108 -0.259 28.097 6.029 1.00 0.00 O ATOM 1487 CB ALA A 108 1.366 26.142 7.513 1.00 0.00 C ATOM 0 H ALA A 108 -1.690 26.307 7.445 1.00 0.00 H new ATOM 0 HA ALA A 108 0.459 27.265 9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 108 2.252 26.775 7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.569 25.286 8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.110 25.791 6.513 1.00 0.00 H new ATOM 1493 N VAL A 109 -0.025 29.348 7.885 1.00 0.00 N ATOM 1494 CA VAL A 109 -0.250 30.613 7.194 1.00 0.00 C ATOM 1495 C VAL A 109 0.852 30.888 6.179 1.00 0.00 C ATOM 1496 O VAL A 109 2.038 30.812 6.501 1.00 0.00 O ATOM 1497 CB VAL A 109 -0.326 31.788 8.185 1.00 0.00 C ATOM 1498 CG1 VAL A 109 0.843 31.745 9.156 1.00 0.00 C ATOM 1499 CG2 VAL A 109 -0.361 33.113 7.438 1.00 0.00 C ATOM 0 H VAL A 109 0.147 29.439 8.886 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.204 30.524 6.674 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.247 31.696 8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.772 32.584 9.849 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.817 30.810 9.715 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.779 31.811 8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.415 33.933 8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.542 33.215 6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.235 33.141 6.788 1.00 0.00 H new ATOM 1509 N GLU A 110 0.454 31.208 4.952 1.00 0.00 N ATOM 1510 CA GLU A 110 1.411 31.495 3.889 1.00 0.00 C ATOM 1511 C GLU A 110 1.116 32.845 3.241 1.00 0.00 C ATOM 1512 O GLU A 110 -0.040 33.187 2.996 1.00 0.00 O ATOM 1513 CB GLU A 110 1.377 30.391 2.830 1.00 0.00 C ATOM 1514 CG GLU A 110 2.628 30.335 1.969 1.00 0.00 C ATOM 1515 CD GLU A 110 2.697 29.079 1.122 1.00 0.00 C ATOM 1516 OE1 GLU A 110 2.544 27.976 1.686 1.00 0.00 O ATOM 1517 OE2 GLU A 110 2.905 29.199 -0.103 1.00 0.00 O ATOM 0 H GLU A 110 -0.524 31.275 4.669 1.00 0.00 H new ATOM 0 HA GLU A 110 2.406 31.533 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.243 29.429 3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.510 30.542 2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.657 31.209 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.508 30.385 2.610 1.00 0.00 H new ATOM 1524 N GLU A 111 2.171 33.607 2.969 1.00 0.00 N ATOM 1525 CA GLU A 111 2.024 34.920 2.352 1.00 0.00 C ATOM 1526 C GLU A 111 2.773 34.983 1.024 1.00 0.00 C ATOM 1527 O GLU A 111 3.864 34.429 0.887 1.00 0.00 O ATOM 1528 CB GLU A 111 2.540 36.011 3.294 1.00 0.00 C ATOM 1529 CG GLU A 111 1.942 37.381 3.023 1.00 0.00 C ATOM 1530 CD GLU A 111 2.061 38.315 4.211 1.00 0.00 C ATOM 1531 OE1 GLU A 111 1.534 37.974 5.290 1.00 0.00 O ATOM 1532 OE2 GLU A 111 2.683 39.388 4.062 1.00 0.00 O ATOM 0 H GLU A 111 3.135 33.338 3.166 1.00 0.00 H new ATOM 0 HA GLU A 111 0.964 35.087 2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 111 2.320 35.725 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.625 36.073 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.441 37.828 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.891 37.268 2.758 1.00 0.00 H new ATOM 1539 N ALA A 112 2.179 35.662 0.048 1.00 0.00 N ATOM 1540 CA ALA A 112 2.789 35.798 -1.269 1.00 0.00 C ATOM 1541 C ALA A 112 3.465 37.157 -1.422 1.00 0.00 C ATOM 1542 O ALA A 112 2.896 38.200 -1.100 1.00 0.00 O ATOM 1543 CB ALA A 112 1.745 35.601 -2.358 1.00 0.00 C ATOM 0 H ALA A 112 1.276 36.126 0.145 1.00 0.00 H new ATOM 0 HA ALA A 112 3.553 35.027 -1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.215 35.705 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.310 34.606 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.961 36.351 -2.250 1.00 0.00 H new ATOM 1549 N PRO A 113 4.709 37.147 -1.924 1.00 0.00 N ATOM 1550 CA PRO A 113 5.489 38.370 -2.131 1.00 0.00 C ATOM 1551 C PRO A 113 4.934 39.228 -3.263 1.00 0.00 C ATOM 1552 O PRO A 113 3.996 38.830 -3.954 1.00 0.00 O ATOM 1553 CB PRO A 113 6.881 37.846 -2.490 1.00 0.00 C ATOM 1554 CG PRO A 113 6.641 36.492 -3.062 1.00 0.00 C ATOM 1555 CD PRO A 113 5.449 35.939 -2.330 1.00 0.00 C ATOM 0 HA PRO A 113 5.475 39.016 -1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.376 38.498 -3.210 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.524 37.796 -1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 113 6.449 36.549 -4.133 1.00 0.00 H new ATOM 0 HG3 PRO A 113 7.513 35.852 -2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 113 4.847 35.295 -2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.748 35.342 -1.468 1.00 0.00 H new ATOM 1563 N VAL A 114 5.520 40.407 -3.448 1.00 0.00 N ATOM 1564 CA VAL A 114 5.084 41.320 -4.497 1.00 0.00 C ATOM 1565 C VAL A 114 6.272 41.856 -5.288 1.00 0.00 C ATOM 1566 O VAL A 114 7.401 41.867 -4.800 1.00 0.00 O ATOM 1567 CB VAL A 114 4.291 42.507 -3.916 1.00 0.00 C ATOM 1568 CG1 VAL A 114 2.809 42.173 -3.840 1.00 0.00 C ATOM 1569 CG2 VAL A 114 4.832 42.888 -2.546 1.00 0.00 C ATOM 0 H VAL A 114 6.298 40.752 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 114 4.435 40.750 -5.162 1.00 0.00 H new ATOM 0 HB VAL A 114 4.412 43.363 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.265 43.023 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 114 2.434 41.953 -4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.664 41.304 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.261 43.728 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.743 42.038 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 114 5.881 43.172 -2.635 1.00 0.00 H new ATOM 1579 N ASN A 115 6.010 42.300 -6.513 1.00 0.00 N ATOM 1580 CA ASN A 115 7.058 42.838 -7.373 1.00 0.00 C ATOM 1581 C ASN A 115 7.039 44.363 -7.364 1.00 0.00 C ATOM 1582 O ASN A 115 6.294 44.989 -8.117 1.00 0.00 O ATOM 1583 CB ASN A 115 6.888 42.322 -8.802 1.00 0.00 C ATOM 1584 CG ASN A 115 8.146 42.495 -9.632 1.00 0.00 C ATOM 1585 OD1 ASN A 115 8.746 43.569 -9.654 1.00 0.00 O ATOM 1586 ND2 ASN A 115 8.550 41.433 -10.321 1.00 0.00 N ATOM 0 H ASN A 115 5.080 42.298 -6.933 1.00 0.00 H new ATOM 0 HA ASN A 115 8.020 42.503 -6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.616 41.267 -8.775 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.064 42.851 -9.281 1.00 0.00 H new ATOM 0 HD21 ASN A 115 9.389 41.489 -10.898 1.00 0.00 H new ATOM 0 HD22 ASN A 115 8.021 40.562 -10.273 1.00 0.00 H new ATOM 1593 N ALA A 116 7.865 44.955 -6.507 1.00 0.00 N ATOM 1594 CA ALA A 116 7.945 46.406 -6.403 1.00 0.00 C ATOM 1595 C ALA A 116 9.217 46.935 -7.055 1.00 0.00 C ATOM 1596 O ALA A 116 10.318 46.468 -6.759 1.00 0.00 O ATOM 1597 CB ALA A 116 7.881 46.835 -4.943 1.00 0.00 C ATOM 0 H ALA A 116 8.488 44.452 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 116 7.093 46.830 -6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.942 47.921 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 116 6.941 46.498 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.714 46.393 -4.397 1.00 0.00 H new ATOM 1603 N CYS A 117 9.060 47.908 -7.946 1.00 0.00 N ATOM 1604 CA CYS A 117 10.198 48.498 -8.642 1.00 0.00 C ATOM 1605 C CYS A 117 10.418 49.942 -8.199 1.00 0.00 C ATOM 1606 O CYS A 117 9.474 50.679 -7.914 1.00 0.00 O ATOM 1607 CB CYS A 117 9.981 48.443 -10.154 1.00 0.00 C ATOM 1608 SG CYS A 117 8.621 49.480 -10.743 1.00 0.00 S ATOM 0 H CYS A 117 8.156 48.305 -8.203 1.00 0.00 H new ATOM 0 HA CYS A 117 11.087 47.920 -8.389 1.00 0.00 H new ATOM 0 HB2 CYS A 117 10.900 48.749 -10.654 1.00 0.00 H new ATOM 0 HB3 CYS A 117 9.789 47.410 -10.445 1.00 0.00 H new ATOM 0 HG CYS A 117 8.385 50.420 -9.876 1.00 0.00 H new ATOM 1614 N PRO A 118 11.693 50.355 -8.139 1.00 0.00 N ATOM 1615 CA PRO A 118 12.065 51.712 -7.730 1.00 0.00 C ATOM 1616 C PRO A 118 11.672 52.758 -8.768 1.00 0.00 C ATOM 1617 O PRO A 118 11.388 52.428 -9.919 1.00 0.00 O ATOM 1618 CB PRO A 118 13.589 51.636 -7.597 1.00 0.00 C ATOM 1619 CG PRO A 118 13.993 50.524 -8.503 1.00 0.00 C ATOM 1620 CD PRO A 118 12.867 49.529 -8.465 1.00 0.00 C ATOM 0 HA PRO A 118 11.558 52.016 -6.814 1.00 0.00 H new ATOM 0 HB2 PRO A 118 14.059 52.575 -7.889 1.00 0.00 H new ATOM 0 HB3 PRO A 118 13.887 51.436 -6.568 1.00 0.00 H new ATOM 0 HG2 PRO A 118 14.158 50.888 -9.517 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.927 50.070 -8.171 1.00 0.00 H new ATOM 0 HD2 PRO A 118 12.748 49.021 -9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 118 13.037 48.758 -7.713 1.00 0.00 H new ATOM 1628 N SER A 119 11.659 54.021 -8.352 1.00 0.00 N ATOM 1629 CA SER A 119 11.298 55.116 -9.246 1.00 0.00 C ATOM 1630 C SER A 119 11.741 56.457 -8.669 1.00 0.00 C ATOM 1631 O SER A 119 11.464 56.769 -7.512 1.00 0.00 O ATOM 1632 CB SER A 119 9.788 55.127 -9.489 1.00 0.00 C ATOM 1633 OG SER A 119 9.443 56.040 -10.515 1.00 0.00 O ATOM 0 H SER A 119 11.894 54.311 -7.403 1.00 0.00 H new ATOM 0 HA SER A 119 11.811 54.961 -10.195 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.453 54.126 -9.761 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.270 55.397 -8.569 1.00 0.00 H new ATOM 0 HG SER A 119 8.473 56.027 -10.652 1.00 0.00 H new ATOM 1639 N GLY A 120 12.434 57.245 -9.485 1.00 0.00 N ATOM 1640 CA GLY A 120 12.905 58.543 -9.039 1.00 0.00 C ATOM 1641 C GLY A 120 13.577 59.329 -10.149 1.00 0.00 C ATOM 1642 O GLY A 120 14.217 58.766 -11.037 1.00 0.00 O ATOM 0 H GLY A 120 12.678 57.008 -10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 120 12.064 59.117 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 120 13.608 58.408 -8.217 1.00 0.00 H new ATOM 1646 N PRO A 121 13.433 60.661 -10.106 1.00 0.00 N ATOM 1647 CA PRO A 121 14.022 61.554 -11.109 1.00 0.00 C ATOM 1648 C PRO A 121 15.542 61.617 -11.006 1.00 0.00 C ATOM 1649 O PRO A 121 16.131 61.119 -10.045 1.00 0.00 O ATOM 1650 CB PRO A 121 13.407 62.916 -10.777 1.00 0.00 C ATOM 1651 CG PRO A 121 13.061 62.833 -9.331 1.00 0.00 C ATOM 1652 CD PRO A 121 12.683 61.400 -9.075 1.00 0.00 C ATOM 0 HA PRO A 121 13.819 61.216 -12.125 1.00 0.00 H new ATOM 0 HB2 PRO A 121 14.111 63.726 -10.970 1.00 0.00 H new ATOM 0 HB3 PRO A 121 12.523 63.110 -11.385 1.00 0.00 H new ATOM 0 HG2 PRO A 121 13.906 63.130 -8.710 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.236 63.503 -9.088 1.00 0.00 H new ATOM 0 HD2 PRO A 121 12.963 61.084 -8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 121 11.608 61.244 -9.171 1.00 0.00 H new ATOM 1660 N SER A 122 16.173 62.232 -12.001 1.00 0.00 N ATOM 1661 CA SER A 122 17.626 62.357 -12.024 1.00 0.00 C ATOM 1662 C SER A 122 18.044 63.740 -12.513 1.00 0.00 C ATOM 1663 O SER A 122 17.424 64.307 -13.414 1.00 0.00 O ATOM 1664 CB SER A 122 18.237 61.280 -12.922 1.00 0.00 C ATOM 1665 OG SER A 122 18.364 60.050 -12.229 1.00 0.00 O ATOM 0 H SER A 122 15.701 62.652 -12.802 1.00 0.00 H new ATOM 0 HA SER A 122 17.994 62.224 -11.007 1.00 0.00 H new ATOM 0 HB2 SER A 122 17.613 61.141 -13.805 1.00 0.00 H new ATOM 0 HB3 SER A 122 19.216 61.607 -13.272 1.00 0.00 H new ATOM 0 HG SER A 122 18.755 59.378 -12.825 1.00 0.00 H new ATOM 1671 N SER A 123 19.101 64.278 -11.914 1.00 0.00 N ATOM 1672 CA SER A 123 19.602 65.597 -12.285 1.00 0.00 C ATOM 1673 C SER A 123 21.026 65.799 -11.779 1.00 0.00 C ATOM 1674 O SER A 123 21.504 65.059 -10.919 1.00 0.00 O ATOM 1675 CB SER A 123 18.690 66.689 -11.723 1.00 0.00 C ATOM 1676 OG SER A 123 18.750 67.862 -12.516 1.00 0.00 O ATOM 0 H SER A 123 19.628 63.821 -11.169 1.00 0.00 H new ATOM 0 HA SER A 123 19.608 65.663 -13.373 1.00 0.00 H new ATOM 0 HB2 SER A 123 17.663 66.325 -11.684 1.00 0.00 H new ATOM 0 HB3 SER A 123 18.985 66.922 -10.700 1.00 0.00 H new ATOM 0 HG SER A 123 18.157 68.544 -12.137 1.00 0.00 H new ATOM 1682 N GLY A 124 21.703 66.808 -12.320 1.00 0.00 N ATOM 1683 CA GLY A 124 23.067 67.091 -11.913 1.00 0.00 C ATOM 1684 C GLY A 124 23.889 67.707 -13.027 1.00 0.00 C ATOM 1685 O GLY A 124 24.564 68.716 -12.824 1.00 0.00 O ATOM 0 H GLY A 124 21.330 67.435 -13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 124 23.055 67.767 -11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 124 23.543 66.168 -11.582 1.00 0.00 H new TER 1689 GLY A 124