USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 566 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 40 SER OG : rot 66:sc= 0.88 USER MOD Set 1.2: A 48 ASN : amide:sc= -3.91! C(o=-3!,f=-4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00756 USER MOD Single : A 2ALYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 155:sc= 0.428 (180deg=-0.503) USER MOD Single : A 6 THR OG1 : rot 170:sc= 0.127 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.365 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -170:sc= -2.19 USER MOD Single : A 18 HIS : no HD1:sc= -0.125 X(o=-0.13,f=-0.031) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -173:sc= -2.46! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 6:sc= 1.08 USER MOD Single : A 56 SER OG : rot -110:sc= -1.2 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 139 SER OG : rot 32:sc= 0.23! USER MOD Single : A 140 HIS : no HD1:sc= -1.85 K(o=-1.8,f=-6.9!) USER MOD Single : A 143 LYS NZ :NH3+ -134:sc= -0.0177 (180deg=-0.952) USER MOD Single : A 146 LYS NZ :NH3+ -145:sc= -0.735 (180deg=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.026 10.895 5.335 1.00 0.00 N ATOM 2 CA GLY A 1 3.392 9.550 5.270 1.00 0.00 C ATOM 3 C GLY A 1 3.636 8.732 6.522 1.00 0.00 C ATOM 4 O GLY A 1 3.302 9.161 7.627 1.00 0.00 O ATOM 0 H1 GLY A 1 3.830 11.414 4.455 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.638 11.423 6.143 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.054 10.789 5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.319 9.665 5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.780 9.010 4.406 1.00 0.00 H new ATOM 10 N SER A 2 4.219 7.550 6.351 1.00 0.00 N ATOM 11 CA SER A 2 4.505 6.670 7.478 1.00 0.00 C ATOM 12 C SER A 2 5.828 5.937 7.279 1.00 0.00 C ATOM 13 O SER A 2 6.804 6.191 7.986 1.00 0.00 O ATOM 14 CB SER A 2 3.375 5.656 7.661 1.00 0.00 C ATOM 15 OG SER A 2 2.111 6.256 7.437 1.00 0.00 O ATOM 0 H SER A 2 4.502 7.180 5.444 1.00 0.00 H new ATOM 0 HA SER A 2 4.582 7.287 8.373 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.514 4.824 6.971 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.412 5.244 8.669 1.00 0.00 H new ATOM 0 HG SER A 2 1.405 5.587 7.558 1.00 0.00 H new ATOM 21 N LYS A 2A 5.850 5.025 6.314 1.00 0.00 N ATOM 22 CA LYS A 2A 7.046 4.247 6.019 1.00 0.00 C ATOM 23 C LYS A 2A 7.143 3.961 4.525 1.00 0.00 C ATOM 24 O LYS A 2A 6.907 2.838 4.083 1.00 0.00 O ATOM 25 CB LYS A 2A 7.023 2.929 6.795 1.00 0.00 C ATOM 26 CG LYS A 2A 6.580 3.076 8.242 1.00 0.00 C ATOM 27 CD LYS A 2A 5.080 2.874 8.390 1.00 0.00 C ATOM 28 CE LYS A 2A 4.720 1.400 8.490 1.00 0.00 C ATOM 29 NZ LYS A 2A 4.450 0.985 9.895 1.00 0.00 N ATOM 0 H LYS A 2A 5.050 4.806 5.721 1.00 0.00 H new ATOM 0 HA LYS A 2A 7.917 4.828 6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 6.355 2.232 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 8.019 2.488 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 7.108 2.351 8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 6.853 4.066 8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 4.728 3.396 9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 4.567 3.317 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 3.841 1.199 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 5.535 0.800 8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 4.209 -0.026 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 5.297 1.152 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 3.656 1.539 10.274 1.00 0.00 H new ATOM 43 N LEU A 2B 7.479 4.984 3.750 1.00 0.00 N ATOM 44 CA LEU A 2B 7.589 4.837 2.304 1.00 0.00 C ATOM 45 C LEU A 2B 9.046 4.777 1.854 1.00 0.00 C ATOM 46 O LEU A 2B 9.509 3.750 1.361 1.00 0.00 O ATOM 47 CB LEU A 2B 6.871 5.989 1.600 1.00 0.00 C ATOM 48 CG LEU A 2B 5.334 5.930 1.616 1.00 0.00 C ATOM 49 CD1 LEU A 2B 4.826 4.788 2.489 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.759 7.252 2.097 1.00 0.00 C ATOM 0 H LEU A 2B 7.680 5.922 4.097 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.115 3.894 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 7.185 6.925 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.204 6.020 0.562 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.000 5.745 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 3.736 4.777 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.203 3.840 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 5.176 4.929 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 3.671 7.195 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 5.117 7.459 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 5.077 8.052 1.428 1.00 0.00 H new ATOM 62 N GLU A 3 9.762 5.888 2.022 1.00 0.00 N ATOM 63 CA GLU A 3 11.171 5.975 1.627 1.00 0.00 C ATOM 64 C GLU A 3 11.389 5.423 0.215 1.00 0.00 C ATOM 65 O GLU A 3 11.290 6.160 -0.767 1.00 0.00 O ATOM 66 CB GLU A 3 12.080 5.248 2.634 1.00 0.00 C ATOM 67 CG GLU A 3 11.374 4.193 3.474 1.00 0.00 C ATOM 68 CD GLU A 3 12.231 3.689 4.619 1.00 0.00 C ATOM 69 OE1 GLU A 3 12.978 2.709 4.415 1.00 0.00 O ATOM 70 OE2 GLU A 3 12.154 4.274 5.720 1.00 0.00 O ATOM 0 H GLU A 3 9.389 6.745 2.431 1.00 0.00 H new ATOM 0 HA GLU A 3 11.441 7.031 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.897 4.774 2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.526 5.986 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.450 4.611 3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.095 3.354 2.837 1.00 0.00 H new ATOM 77 N GLY A 4 11.681 4.129 0.116 1.00 0.00 N ATOM 78 CA GLY A 4 11.901 3.515 -1.180 1.00 0.00 C ATOM 79 C GLY A 4 11.526 2.047 -1.188 1.00 0.00 C ATOM 80 O GLY A 4 11.506 1.401 -0.140 1.00 0.00 O ATOM 0 H GLY A 4 11.769 3.496 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.316 4.042 -1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.950 3.622 -1.458 1.00 0.00 H new ATOM 84 N LYS A 5 11.219 1.516 -2.368 1.00 0.00 N ATOM 85 CA LYS A 5 10.835 0.116 -2.487 1.00 0.00 C ATOM 86 C LYS A 5 10.876 -0.361 -3.939 1.00 0.00 C ATOM 87 O LYS A 5 11.457 -1.405 -4.237 1.00 0.00 O ATOM 88 CB LYS A 5 9.444 -0.099 -1.881 1.00 0.00 C ATOM 89 CG LYS A 5 8.311 0.530 -2.676 1.00 0.00 C ATOM 90 CD LYS A 5 8.353 2.051 -2.629 1.00 0.00 C ATOM 91 CE LYS A 5 8.250 2.572 -1.203 1.00 0.00 C ATOM 92 NZ LYS A 5 8.060 4.049 -1.161 1.00 0.00 N ATOM 0 H LYS A 5 11.229 2.031 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 5 11.559 -0.481 -1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.260 -1.170 -1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.434 0.310 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.369 0.198 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.356 0.182 -2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.281 2.404 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.535 2.456 -3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.416 2.085 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.154 2.307 -0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.586 4.313 -0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.986 4.520 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.475 4.347 -1.968 1.00 0.00 H new ATOM 106 N THR A 6 10.263 0.403 -4.842 1.00 0.00 N ATOM 107 CA THR A 6 10.239 0.049 -6.262 1.00 0.00 C ATOM 108 C THR A 6 9.290 0.958 -7.035 1.00 0.00 C ATOM 109 O THR A 6 9.694 1.627 -7.986 1.00 0.00 O ATOM 110 CB THR A 6 9.827 -1.416 -6.457 1.00 0.00 C ATOM 111 OG1 THR A 6 9.464 -1.657 -7.806 1.00 0.00 O ATOM 112 CG2 THR A 6 8.664 -1.846 -5.588 1.00 0.00 C ATOM 0 H THR A 6 9.776 1.271 -4.617 1.00 0.00 H new ATOM 0 HA THR A 6 11.249 0.184 -6.650 1.00 0.00 H new ATOM 0 HB THR A 6 10.703 -1.996 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.360 -2.621 -7.950 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.432 -2.893 -5.783 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.929 -1.722 -4.538 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.793 -1.233 -5.817 1.00 0.00 H new ATOM 120 N CYS A 7 8.029 0.980 -6.618 1.00 0.00 N ATOM 121 CA CYS A 7 7.023 1.811 -7.271 1.00 0.00 C ATOM 122 C CYS A 7 6.815 1.389 -8.724 1.00 0.00 C ATOM 123 O CYS A 7 6.265 2.145 -9.526 1.00 0.00 O ATOM 124 CB CYS A 7 7.431 3.286 -7.212 1.00 0.00 C ATOM 125 SG CYS A 7 8.431 3.732 -5.754 1.00 0.00 S ATOM 0 H CYS A 7 7.679 0.433 -5.832 1.00 0.00 H new ATOM 0 HA CYS A 7 6.082 1.676 -6.737 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.994 3.531 -8.113 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.531 3.900 -7.222 1.00 0.00 H new ATOM 130 N GLY A 8 7.252 0.176 -9.060 1.00 0.00 N ATOM 131 CA GLY A 8 7.095 -0.318 -10.416 1.00 0.00 C ATOM 132 C GLY A 8 5.843 -1.161 -10.578 1.00 0.00 C ATOM 133 O GLY A 8 4.823 -0.673 -11.066 1.00 0.00 O ATOM 0 H GLY A 8 7.711 -0.471 -8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.055 0.525 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.968 -0.911 -10.688 1.00 0.00 H new ATOM 137 N PRO A 9 5.890 -2.441 -10.168 1.00 0.00 N ATOM 138 CA PRO A 9 4.742 -3.349 -10.266 1.00 0.00 C ATOM 139 C PRO A 9 3.546 -2.836 -9.462 1.00 0.00 C ATOM 140 O PRO A 9 3.315 -1.630 -9.395 1.00 0.00 O ATOM 141 CB PRO A 9 5.271 -4.670 -9.686 1.00 0.00 C ATOM 142 CG PRO A 9 6.755 -4.557 -9.742 1.00 0.00 C ATOM 143 CD PRO A 9 7.064 -3.099 -9.573 1.00 0.00 C ATOM 0 HA PRO A 9 4.378 -3.449 -11.289 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.926 -4.816 -8.662 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.919 -5.523 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.222 -5.149 -8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.139 -4.930 -10.691 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.188 -2.832 -8.524 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.985 -2.820 -10.084 1.00 0.00 H new ATOM 151 N SER A 10 2.788 -3.749 -8.853 1.00 0.00 N ATOM 152 CA SER A 10 1.623 -3.370 -8.057 1.00 0.00 C ATOM 153 C SER A 10 1.990 -2.323 -7.007 1.00 0.00 C ATOM 154 O SER A 10 2.314 -2.658 -5.868 1.00 0.00 O ATOM 155 CB SER A 10 1.025 -4.602 -7.376 1.00 0.00 C ATOM 156 OG SER A 10 0.164 -5.305 -8.256 1.00 0.00 O ATOM 0 H SER A 10 2.960 -4.753 -8.896 1.00 0.00 H new ATOM 0 HA SER A 10 0.883 -2.936 -8.729 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.826 -5.262 -7.042 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.472 -4.298 -6.487 1.00 0.00 H new ATOM 0 HG SER A 10 -0.204 -6.089 -7.797 1.00 0.00 H new ATOM 162 N SER A 11 1.934 -1.054 -7.400 1.00 0.00 N ATOM 163 CA SER A 11 2.257 0.045 -6.498 1.00 0.00 C ATOM 164 C SER A 11 1.453 1.291 -6.854 1.00 0.00 C ATOM 165 O SER A 11 1.042 1.472 -8.000 1.00 0.00 O ATOM 166 CB SER A 11 3.755 0.355 -6.547 1.00 0.00 C ATOM 167 OG SER A 11 4.465 -0.402 -5.581 1.00 0.00 O ATOM 0 H SER A 11 1.667 -0.761 -8.340 1.00 0.00 H new ATOM 0 HA SER A 11 1.993 -0.260 -5.485 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.142 0.136 -7.542 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.915 1.418 -6.370 1.00 0.00 H new ATOM 0 HG SER A 11 5.420 -0.187 -5.634 1.00 0.00 H new ATOM 173 N PHE A 12 1.228 2.145 -5.860 1.00 0.00 N ATOM 174 CA PHE A 12 0.469 3.374 -6.060 1.00 0.00 C ATOM 175 C PHE A 12 1.284 4.592 -5.633 1.00 0.00 C ATOM 176 O PHE A 12 1.653 4.727 -4.467 1.00 0.00 O ATOM 177 CB PHE A 12 -0.843 3.315 -5.269 1.00 0.00 C ATOM 178 CG PHE A 12 -1.577 4.626 -5.207 1.00 0.00 C ATOM 179 CD1 PHE A 12 -2.182 5.152 -6.337 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.660 5.331 -4.017 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.856 6.357 -6.282 1.00 0.00 C ATOM 182 CE2 PHE A 12 -2.333 6.537 -3.956 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.931 7.050 -5.090 1.00 0.00 C ATOM 0 H PHE A 12 1.562 2.008 -4.906 1.00 0.00 H new ATOM 0 HA PHE A 12 0.243 3.469 -7.122 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.494 2.566 -5.720 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.629 2.981 -4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.126 4.614 -7.272 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.194 4.934 -3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.323 6.756 -7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.391 7.077 -3.023 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.457 7.992 -5.045 1.00 0.00 H new ATOM 193 N SER A 13 1.556 5.479 -6.582 1.00 0.00 N ATOM 194 CA SER A 13 2.321 6.686 -6.295 1.00 0.00 C ATOM 195 C SER A 13 1.493 7.656 -5.457 1.00 0.00 C ATOM 196 O SER A 13 0.390 8.039 -5.845 1.00 0.00 O ATOM 197 CB SER A 13 2.767 7.355 -7.598 1.00 0.00 C ATOM 198 OG SER A 13 4.179 7.463 -7.658 1.00 0.00 O ATOM 0 H SER A 13 1.260 5.386 -7.554 1.00 0.00 H new ATOM 0 HA SER A 13 3.207 6.407 -5.725 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.407 6.777 -8.449 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.320 8.346 -7.673 1.00 0.00 H new ATOM 0 HG SER A 13 4.439 7.892 -8.500 1.00 0.00 H new ATOM 204 N CYS A 14 2.026 8.043 -4.300 1.00 0.00 N ATOM 205 CA CYS A 14 1.327 8.960 -3.408 1.00 0.00 C ATOM 206 C CYS A 14 0.984 10.267 -4.126 1.00 0.00 C ATOM 207 O CYS A 14 1.860 10.924 -4.687 1.00 0.00 O ATOM 208 CB CYS A 14 2.173 9.242 -2.164 1.00 0.00 C ATOM 209 SG CYS A 14 2.038 7.973 -0.860 1.00 0.00 S ATOM 0 H CYS A 14 2.937 7.736 -3.960 1.00 0.00 H new ATOM 0 HA CYS A 14 0.395 8.488 -3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.218 9.330 -2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.877 10.206 -1.749 1.00 0.00 H new ATOM 214 N PRO A 15 -0.304 10.657 -4.121 1.00 0.00 N ATOM 215 CA PRO A 15 -0.769 11.886 -4.778 1.00 0.00 C ATOM 216 C PRO A 15 -0.149 13.143 -4.182 1.00 0.00 C ATOM 217 O PRO A 15 -0.183 13.351 -2.970 1.00 0.00 O ATOM 218 CB PRO A 15 -2.283 11.883 -4.534 1.00 0.00 C ATOM 219 CG PRO A 15 -2.620 10.477 -4.181 1.00 0.00 C ATOM 220 CD PRO A 15 -1.411 9.931 -3.483 1.00 0.00 C ATOM 0 HA PRO A 15 -0.491 11.900 -5.832 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.553 12.566 -3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.825 12.207 -5.422 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.497 10.435 -3.535 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.853 9.895 -5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.448 10.114 -2.409 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.319 8.854 -3.619 1.00 0.00 H new ATOM 228 N GLY A 16 0.408 13.985 -5.047 1.00 0.00 N ATOM 229 CA GLY A 16 1.020 15.220 -4.593 1.00 0.00 C ATOM 230 C GLY A 16 2.473 15.049 -4.192 1.00 0.00 C ATOM 231 O GLY A 16 3.300 15.925 -4.448 1.00 0.00 O ATOM 0 H GLY A 16 0.446 13.834 -6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.953 15.965 -5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.457 15.607 -3.743 1.00 0.00 H new ATOM 235 N THR A 17 2.787 13.925 -3.556 1.00 0.00 N ATOM 236 CA THR A 17 4.148 13.653 -3.114 1.00 0.00 C ATOM 237 C THR A 17 4.856 12.695 -4.065 1.00 0.00 C ATOM 238 O THR A 17 4.270 11.718 -4.530 1.00 0.00 O ATOM 239 CB THR A 17 4.134 13.064 -1.704 1.00 0.00 C ATOM 240 OG1 THR A 17 3.162 12.039 -1.597 1.00 0.00 O ATOM 241 CG2 THR A 17 3.837 14.090 -0.633 1.00 0.00 C ATOM 0 H THR A 17 2.117 13.188 -3.336 1.00 0.00 H new ATOM 0 HA THR A 17 4.694 14.596 -3.109 1.00 0.00 H new ATOM 0 HB THR A 17 5.139 12.673 -1.544 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.057 11.784 -0.656 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.842 13.608 0.344 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.597 14.871 -0.656 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.857 14.532 -0.815 1.00 0.00 H new ATOM 249 N HIS A 18 6.127 12.975 -4.337 1.00 0.00 N ATOM 250 CA HIS A 18 6.925 12.133 -5.220 1.00 0.00 C ATOM 251 C HIS A 18 6.974 10.700 -4.696 1.00 0.00 C ATOM 252 O HIS A 18 7.215 9.756 -5.449 1.00 0.00 O ATOM 253 CB HIS A 18 8.345 12.691 -5.333 1.00 0.00 C ATOM 254 CG HIS A 18 9.106 12.638 -4.045 1.00 0.00 C ATOM 255 ND1 HIS A 18 9.133 13.661 -3.123 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.868 11.644 -3.522 1.00 0.00 C ATOM 257 CE1 HIS A 18 9.893 13.266 -2.093 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.363 12.050 -2.286 1.00 0.00 N ATOM 0 H HIS A 18 6.626 13.780 -3.958 1.00 0.00 H new ATOM 0 HA HIS A 18 6.460 12.129 -6.206 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.889 12.129 -6.092 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.296 13.725 -5.676 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.060 10.690 -3.990 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.094 13.866 -1.218 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.965 11.516 -1.659 1.00 0.00 H new ATOM 266 N VAL A 19 6.745 10.553 -3.395 1.00 0.00 N ATOM 267 CA VAL A 19 6.760 9.251 -2.749 1.00 0.00 C ATOM 268 C VAL A 19 5.775 8.291 -3.410 1.00 0.00 C ATOM 269 O VAL A 19 4.751 8.711 -3.949 1.00 0.00 O ATOM 270 CB VAL A 19 6.424 9.388 -1.252 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.065 10.043 -1.064 1.00 0.00 C ATOM 272 CG2 VAL A 19 6.476 8.039 -0.559 1.00 0.00 C ATOM 0 H VAL A 19 6.545 11.330 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 19 7.765 8.842 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 19 7.176 10.029 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.847 10.130 0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.074 11.035 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.298 9.434 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.235 8.163 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.753 7.365 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.477 7.619 -0.656 1.00 0.00 H new ATOM 282 N CYS A 20 6.096 7.002 -3.369 1.00 0.00 N ATOM 283 CA CYS A 20 5.245 5.979 -3.969 1.00 0.00 C ATOM 284 C CYS A 20 4.889 4.896 -2.955 1.00 0.00 C ATOM 285 O CYS A 20 5.767 4.257 -2.375 1.00 0.00 O ATOM 286 CB CYS A 20 5.929 5.354 -5.192 1.00 0.00 C ATOM 287 SG CYS A 20 7.741 5.568 -5.239 1.00 0.00 S ATOM 0 H CYS A 20 6.940 6.640 -2.926 1.00 0.00 H new ATOM 0 HA CYS A 20 4.323 6.462 -4.292 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.701 4.288 -5.215 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.501 5.791 -6.094 1.00 0.00 H new ATOM 292 N VAL A 21 3.591 4.698 -2.748 1.00 0.00 N ATOM 293 CA VAL A 21 3.106 3.697 -1.808 1.00 0.00 C ATOM 294 C VAL A 21 2.610 2.451 -2.545 1.00 0.00 C ATOM 295 O VAL A 21 1.733 2.537 -3.401 1.00 0.00 O ATOM 296 CB VAL A 21 1.967 4.263 -0.935 1.00 0.00 C ATOM 297 CG1 VAL A 21 0.883 4.883 -1.802 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.384 3.187 -0.031 1.00 0.00 C ATOM 0 H VAL A 21 2.854 5.221 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 21 3.942 3.422 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 21 2.386 5.043 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.089 5.276 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.309 5.693 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.472 4.125 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.583 3.614 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.986 2.376 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.165 2.799 0.623 1.00 0.00 H new ATOM 308 N PRO A 22 3.169 1.271 -2.224 1.00 0.00 N ATOM 309 CA PRO A 22 2.777 0.011 -2.866 1.00 0.00 C ATOM 310 C PRO A 22 1.312 -0.333 -2.634 1.00 0.00 C ATOM 311 O PRO A 22 0.684 0.177 -1.708 1.00 0.00 O ATOM 312 CB PRO A 22 3.674 -1.036 -2.200 1.00 0.00 C ATOM 313 CG PRO A 22 4.797 -0.263 -1.602 1.00 0.00 C ATOM 314 CD PRO A 22 4.223 1.067 -1.220 1.00 0.00 C ATOM 0 HA PRO A 22 2.892 0.065 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.130 -1.594 -1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.038 -1.762 -2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.205 -0.777 -0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.613 -0.146 -2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.820 1.057 -0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.974 1.856 -1.256 1.00 0.00 H new ATOM 322 N GLU A 23 0.776 -1.209 -3.478 1.00 0.00 N ATOM 323 CA GLU A 23 -0.615 -1.628 -3.361 1.00 0.00 C ATOM 324 C GLU A 23 -0.860 -2.300 -2.017 1.00 0.00 C ATOM 325 O GLU A 23 -1.941 -2.191 -1.442 1.00 0.00 O ATOM 326 CB GLU A 23 -0.983 -2.579 -4.502 1.00 0.00 C ATOM 327 CG GLU A 23 -2.314 -2.253 -5.156 1.00 0.00 C ATOM 328 CD GLU A 23 -2.609 -3.138 -6.351 1.00 0.00 C ATOM 329 OE1 GLU A 23 -3.114 -4.262 -6.148 1.00 0.00 O ATOM 330 OE2 GLU A 23 -2.333 -2.707 -7.491 1.00 0.00 O ATOM 0 H GLU A 23 1.284 -1.642 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.247 -0.742 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.198 -2.548 -5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.016 -3.599 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.112 -2.363 -4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.313 -1.210 -5.472 1.00 0.00 H new ATOM 337 N ARG A 24 0.157 -2.988 -1.515 1.00 0.00 N ATOM 338 CA ARG A 24 0.055 -3.665 -0.232 1.00 0.00 C ATOM 339 C ARG A 24 -0.051 -2.645 0.895 1.00 0.00 C ATOM 340 O ARG A 24 -0.677 -2.898 1.924 1.00 0.00 O ATOM 341 CB ARG A 24 1.276 -4.562 -0.009 1.00 0.00 C ATOM 342 CG ARG A 24 1.038 -5.693 0.978 1.00 0.00 C ATOM 343 CD ARG A 24 0.637 -5.173 2.345 1.00 0.00 C ATOM 344 NE ARG A 24 1.100 -6.046 3.421 1.00 0.00 N ATOM 345 CZ ARG A 24 0.581 -6.053 4.647 1.00 0.00 C ATOM 346 NH1 ARG A 24 -0.420 -5.238 4.957 1.00 0.00 N ATOM 347 NH2 ARG A 24 1.065 -6.876 5.567 1.00 0.00 N ATOM 0 H ARG A 24 1.060 -3.091 -1.977 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.843 -4.283 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.582 -4.986 -0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.104 -3.950 0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.257 -6.350 0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.944 -6.293 1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.048 -4.173 2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.448 -5.082 2.394 1.00 0.00 H new ATOM 0 HE ARG A 24 1.867 -6.688 3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.796 -4.602 4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.813 -5.248 5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.835 -7.504 5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.667 -6.881 6.506 1.00 0.00 H new ATOM 361 N TRP A 25 0.572 -1.489 0.691 1.00 0.00 N ATOM 362 CA TRP A 25 0.560 -0.428 1.689 1.00 0.00 C ATOM 363 C TRP A 25 -0.598 0.542 1.463 1.00 0.00 C ATOM 364 O TRP A 25 -0.558 1.680 1.927 1.00 0.00 O ATOM 365 CB TRP A 25 1.889 0.330 1.665 1.00 0.00 C ATOM 366 CG TRP A 25 3.092 -0.558 1.806 1.00 0.00 C ATOM 367 CD1 TRP A 25 3.111 -1.923 1.876 1.00 0.00 C ATOM 368 CD2 TRP A 25 4.456 -0.135 1.893 1.00 0.00 C ATOM 369 NE1 TRP A 25 4.404 -2.373 1.997 1.00 0.00 N ATOM 370 CE2 TRP A 25 5.249 -1.294 2.009 1.00 0.00 C ATOM 371 CE3 TRP A 25 5.085 1.112 1.882 1.00 0.00 C ATOM 372 CZ2 TRP A 25 6.638 -1.241 2.111 1.00 0.00 C ATOM 373 CZ3 TRP A 25 6.461 1.163 1.984 1.00 0.00 C ATOM 374 CH2 TRP A 25 7.225 -0.006 2.096 1.00 0.00 C ATOM 0 H TRP A 25 1.092 -1.264 -0.157 1.00 0.00 H new ATOM 0 HA TRP A 25 0.423 -0.891 2.666 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.965 0.884 0.729 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.893 1.064 2.471 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.237 -2.556 1.841 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.688 -3.350 2.066 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.506 2.019 1.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.228 -2.141 2.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 6.958 2.122 1.977 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.300 0.070 2.172 1.00 0.00 H new ATOM 385 N LEU A 26 -1.628 0.089 0.753 1.00 0.00 N ATOM 386 CA LEU A 26 -2.791 0.922 0.482 1.00 0.00 C ATOM 387 C LEU A 26 -3.787 0.844 1.634 1.00 0.00 C ATOM 388 O LEU A 26 -4.128 1.856 2.246 1.00 0.00 O ATOM 389 CB LEU A 26 -3.465 0.480 -0.820 1.00 0.00 C ATOM 390 CG LEU A 26 -3.139 1.324 -2.057 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.693 1.807 -2.032 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.410 0.526 -3.322 1.00 0.00 C ATOM 0 H LEU A 26 -1.679 -0.849 0.356 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.457 1.955 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.181 -0.553 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.545 0.490 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.784 2.202 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.493 2.403 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.528 2.416 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.023 0.948 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.175 1.136 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.789 -0.370 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.461 0.239 -3.353 1.00 0.00 H new ATOM 404 N CYS A 27 -4.253 -0.367 1.916 1.00 0.00 N ATOM 405 CA CYS A 27 -5.219 -0.589 2.987 1.00 0.00 C ATOM 406 C CYS A 27 -4.617 -1.431 4.110 1.00 0.00 C ATOM 407 O CYS A 27 -5.331 -2.160 4.800 1.00 0.00 O ATOM 408 CB CYS A 27 -6.461 -1.284 2.435 1.00 0.00 C ATOM 409 SG CYS A 27 -6.985 -0.685 0.798 1.00 0.00 S ATOM 0 H CYS A 27 -3.977 -1.213 1.417 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.495 0.383 3.397 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.267 -2.355 2.373 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.282 -1.149 3.139 1.00 0.00 H new ATOM 414 N ASP A 28 -3.305 -1.330 4.290 1.00 0.00 N ATOM 415 CA ASP A 28 -2.620 -2.086 5.333 1.00 0.00 C ATOM 416 C ASP A 28 -3.154 -1.705 6.714 1.00 0.00 C ATOM 417 O ASP A 28 -3.018 -2.466 7.673 1.00 0.00 O ATOM 418 CB ASP A 28 -1.100 -1.862 5.242 1.00 0.00 C ATOM 419 CG ASP A 28 -0.501 -1.227 6.487 1.00 0.00 C ATOM 420 OD1 ASP A 28 -0.559 -1.859 7.563 1.00 0.00 O ATOM 421 OD2 ASP A 28 0.028 -0.100 6.383 1.00 0.00 O ATOM 0 H ASP A 28 -2.696 -0.734 3.730 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.816 -3.148 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.611 -2.819 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.886 -1.227 4.382 1.00 0.00 H new ATOM 426 N GLY A 29 -3.762 -0.525 6.808 1.00 0.00 N ATOM 427 CA GLY A 29 -4.304 -0.071 8.074 1.00 0.00 C ATOM 428 C GLY A 29 -3.587 1.152 8.610 1.00 0.00 C ATOM 429 O GLY A 29 -3.512 1.356 9.822 1.00 0.00 O ATOM 0 H GLY A 29 -3.888 0.123 6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.363 0.158 7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.235 -0.877 8.804 1.00 0.00 H new ATOM 433 N ASP A 30 -3.060 1.967 7.703 1.00 0.00 N ATOM 434 CA ASP A 30 -2.345 3.179 8.084 1.00 0.00 C ATOM 435 C ASP A 30 -2.077 4.045 6.859 1.00 0.00 C ATOM 436 O ASP A 30 -1.514 3.579 5.872 1.00 0.00 O ATOM 437 CB ASP A 30 -1.028 2.823 8.777 1.00 0.00 C ATOM 438 CG ASP A 30 -0.955 3.366 10.191 1.00 0.00 C ATOM 439 OD1 ASP A 30 -1.960 3.252 10.923 1.00 0.00 O ATOM 440 OD2 ASP A 30 0.108 3.905 10.567 1.00 0.00 O ATOM 0 H ASP A 30 -3.115 1.810 6.697 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.966 3.743 8.780 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.914 1.739 8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.196 3.219 8.195 1.00 0.00 H new ATOM 445 N LYS A 31 -2.492 5.304 6.926 1.00 0.00 N ATOM 446 CA LYS A 31 -2.303 6.231 5.816 1.00 0.00 C ATOM 447 C LYS A 31 -0.829 6.361 5.447 1.00 0.00 C ATOM 448 O LYS A 31 -0.141 7.280 5.893 1.00 0.00 O ATOM 449 CB LYS A 31 -2.883 7.599 6.167 1.00 0.00 C ATOM 450 CG LYS A 31 -4.397 7.594 6.289 1.00 0.00 C ATOM 451 CD LYS A 31 -4.942 8.982 6.579 1.00 0.00 C ATOM 452 CE LYS A 31 -6.337 9.167 6.000 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.225 9.933 6.918 1.00 0.00 N ATOM 0 H LYS A 31 -2.962 5.707 7.737 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.831 5.831 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.450 7.939 7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.589 8.318 5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.835 7.217 5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.696 6.912 7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.970 9.145 7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.271 9.732 6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.267 9.688 5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.779 8.191 5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.165 10.036 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.313 9.424 7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.818 10.874 7.090 1.00 0.00 H new ATOM 467 N ASP A 32 -0.356 5.433 4.622 1.00 0.00 N ATOM 468 CA ASP A 32 1.033 5.430 4.174 1.00 0.00 C ATOM 469 C ASP A 32 1.377 6.743 3.481 1.00 0.00 C ATOM 470 O ASP A 32 2.484 7.261 3.624 1.00 0.00 O ATOM 471 CB ASP A 32 1.280 4.255 3.224 1.00 0.00 C ATOM 472 CG ASP A 32 1.959 3.087 3.912 1.00 0.00 C ATOM 473 OD1 ASP A 32 3.200 3.114 4.043 1.00 0.00 O ATOM 474 OD2 ASP A 32 1.247 2.144 4.321 1.00 0.00 O ATOM 0 H ASP A 32 -0.918 4.668 4.248 1.00 0.00 H new ATOM 0 HA ASP A 32 1.675 5.321 5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.330 3.924 2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.896 4.590 2.390 1.00 0.00 H new ATOM 479 N CYS A 33 0.418 7.279 2.732 1.00 0.00 N ATOM 480 CA CYS A 33 0.619 8.536 2.021 1.00 0.00 C ATOM 481 C CYS A 33 0.478 9.721 2.969 1.00 0.00 C ATOM 482 O CYS A 33 0.306 9.548 4.175 1.00 0.00 O ATOM 483 CB CYS A 33 -0.385 8.666 0.871 1.00 0.00 C ATOM 484 SG CYS A 33 0.038 7.706 -0.622 1.00 0.00 S ATOM 0 H CYS A 33 -0.504 6.863 2.602 1.00 0.00 H new ATOM 0 HA CYS A 33 1.629 8.536 1.611 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.366 8.348 1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.470 9.718 0.598 1.00 0.00 H new ATOM 489 N ALA A 34 0.554 10.926 2.415 1.00 0.00 N ATOM 490 CA ALA A 34 0.439 12.141 3.209 1.00 0.00 C ATOM 491 C ALA A 34 -0.998 12.378 3.662 1.00 0.00 C ATOM 492 O ALA A 34 -1.242 12.770 4.803 1.00 0.00 O ATOM 493 CB ALA A 34 0.943 13.332 2.412 1.00 0.00 C ATOM 0 H ALA A 34 0.695 11.086 1.418 1.00 0.00 H new ATOM 0 HA ALA A 34 1.053 12.020 4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.853 14.237 3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.988 13.176 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.349 13.440 1.504 1.00 0.00 H new ATOM 499 N ASP A 35 -1.948 12.144 2.761 1.00 0.00 N ATOM 500 CA ASP A 35 -3.360 12.341 3.072 1.00 0.00 C ATOM 501 C ASP A 35 -4.124 11.020 3.037 1.00 0.00 C ATOM 502 O ASP A 35 -5.316 10.992 2.733 1.00 0.00 O ATOM 503 CB ASP A 35 -3.986 13.329 2.086 1.00 0.00 C ATOM 504 CG ASP A 35 -3.278 14.670 2.083 1.00 0.00 C ATOM 505 OD1 ASP A 35 -2.037 14.686 1.949 1.00 0.00 O ATOM 506 OD2 ASP A 35 -3.966 15.704 2.216 1.00 0.00 O ATOM 0 H ASP A 35 -1.766 11.818 1.812 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.426 12.747 4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.958 12.904 1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.036 13.476 2.340 1.00 0.00 H new ATOM 511 N GLY A 36 -3.433 9.929 3.353 1.00 0.00 N ATOM 512 CA GLY A 36 -4.071 8.625 3.352 1.00 0.00 C ATOM 513 C GLY A 36 -4.535 8.203 1.975 1.00 0.00 C ATOM 514 O GLY A 36 -5.433 7.371 1.843 1.00 0.00 O ATOM 0 H GLY A 36 -2.446 9.924 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.372 7.883 3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.925 8.642 4.029 1.00 0.00 H new ATOM 518 N ALA A 37 -3.916 8.768 0.943 1.00 0.00 N ATOM 519 CA ALA A 37 -4.267 8.434 -0.431 1.00 0.00 C ATOM 520 C ALA A 37 -4.171 6.931 -0.657 1.00 0.00 C ATOM 521 O ALA A 37 -4.976 6.347 -1.382 1.00 0.00 O ATOM 522 CB ALA A 37 -3.361 9.171 -1.398 1.00 0.00 C ATOM 0 H ALA A 37 -3.170 9.458 1.033 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.296 8.744 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.634 8.913 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.472 10.246 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.325 8.885 -1.216 1.00 0.00 H new ATOM 528 N ASP A 38 -3.185 6.309 -0.016 1.00 0.00 N ATOM 529 CA ASP A 38 -2.987 4.870 -0.128 1.00 0.00 C ATOM 530 C ASP A 38 -4.239 4.135 0.334 1.00 0.00 C ATOM 531 O ASP A 38 -4.675 3.166 -0.287 1.00 0.00 O ATOM 532 CB ASP A 38 -1.775 4.437 0.704 1.00 0.00 C ATOM 533 CG ASP A 38 -2.068 4.416 2.193 1.00 0.00 C ATOM 534 OD1 ASP A 38 -2.182 5.507 2.791 1.00 0.00 O ATOM 535 OD2 ASP A 38 -2.183 3.309 2.760 1.00 0.00 O ATOM 0 H ASP A 38 -2.511 6.781 0.587 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.798 4.618 -1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.456 3.444 0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.944 5.116 0.510 1.00 0.00 H new ATOM 540 N GLU A 39 -4.821 4.622 1.425 1.00 0.00 N ATOM 541 CA GLU A 39 -6.035 4.037 1.975 1.00 0.00 C ATOM 542 C GLU A 39 -7.259 4.547 1.220 1.00 0.00 C ATOM 543 O GLU A 39 -8.333 3.948 1.280 1.00 0.00 O ATOM 544 CB GLU A 39 -6.161 4.371 3.463 1.00 0.00 C ATOM 545 CG GLU A 39 -4.974 3.907 4.292 1.00 0.00 C ATOM 546 CD GLU A 39 -5.105 2.465 4.742 1.00 0.00 C ATOM 547 OE1 GLU A 39 -6.251 1.989 4.883 1.00 0.00 O ATOM 548 OE2 GLU A 39 -4.061 1.812 4.952 1.00 0.00 O ATOM 0 H GLU A 39 -4.468 5.424 1.947 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.978 2.954 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.274 5.449 3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.069 3.912 3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.061 4.020 3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.873 4.549 5.167 1.00 0.00 H new ATOM 555 N SER A 40 -7.085 5.658 0.508 1.00 0.00 N ATOM 556 CA SER A 40 -8.168 6.252 -0.262 1.00 0.00 C ATOM 557 C SER A 40 -8.412 5.474 -1.545 1.00 0.00 C ATOM 558 O SER A 40 -7.493 4.888 -2.116 1.00 0.00 O ATOM 559 CB SER A 40 -7.850 7.711 -0.589 1.00 0.00 C ATOM 560 OG SER A 40 -7.740 8.487 0.591 1.00 0.00 O ATOM 0 H SER A 40 -6.201 6.164 0.450 1.00 0.00 H new ATOM 0 HA SER A 40 -9.074 6.212 0.343 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.918 7.766 -1.152 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.632 8.123 -1.227 1.00 0.00 H new ATOM 0 HG SER A 40 -6.966 8.184 1.111 1.00 0.00 H new ATOM 566 N ILE A 41 -9.661 5.475 -1.992 1.00 0.00 N ATOM 567 CA ILE A 41 -10.037 4.774 -3.208 1.00 0.00 C ATOM 568 C ILE A 41 -9.154 5.188 -4.381 1.00 0.00 C ATOM 569 O ILE A 41 -8.969 4.427 -5.332 1.00 0.00 O ATOM 570 CB ILE A 41 -11.513 5.028 -3.556 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.988 4.013 -4.590 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.715 6.451 -4.056 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.426 2.701 -3.981 1.00 0.00 C ATOM 0 H ILE A 41 -10.431 5.956 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.895 3.709 -3.024 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.110 4.907 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.818 4.439 -5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.184 3.825 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.767 6.607 -4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.411 7.155 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.112 6.612 -4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.752 2.024 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.591 2.254 -3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.251 2.878 -3.291 1.00 0.00 H new ATOM 585 N ALA A 42 -8.601 6.396 -4.302 1.00 0.00 N ATOM 586 CA ALA A 42 -7.726 6.907 -5.351 1.00 0.00 C ATOM 587 C ALA A 42 -6.639 5.894 -5.691 1.00 0.00 C ATOM 588 O ALA A 42 -6.129 5.862 -6.811 1.00 0.00 O ATOM 589 CB ALA A 42 -7.103 8.224 -4.915 1.00 0.00 C ATOM 0 H ALA A 42 -8.744 7.038 -3.522 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.324 7.077 -6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.451 8.597 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.890 8.952 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.520 8.068 -4.007 1.00 0.00 H new ATOM 595 N ALA A 43 -6.292 5.066 -4.710 1.00 0.00 N ATOM 596 CA ALA A 43 -5.270 4.044 -4.889 1.00 0.00 C ATOM 597 C ALA A 43 -5.894 2.697 -5.239 1.00 0.00 C ATOM 598 O ALA A 43 -5.238 1.828 -5.813 1.00 0.00 O ATOM 599 CB ALA A 43 -4.430 3.923 -3.628 1.00 0.00 C ATOM 0 H ALA A 43 -6.707 5.085 -3.779 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.630 4.343 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.668 3.157 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.949 4.878 -3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.070 3.647 -2.790 1.00 0.00 H new ATOM 605 N GLY A 44 -7.165 2.529 -4.885 1.00 0.00 N ATOM 606 CA GLY A 44 -7.855 1.285 -5.165 1.00 0.00 C ATOM 607 C GLY A 44 -8.154 0.497 -3.906 1.00 0.00 C ATOM 608 O GLY A 44 -8.112 -0.733 -3.911 1.00 0.00 O ATOM 0 H GLY A 44 -7.728 3.233 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.788 1.499 -5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.247 0.678 -5.835 1.00 0.00 H new ATOM 612 N CYS A 45 -8.451 1.209 -2.824 1.00 0.00 N ATOM 613 CA CYS A 45 -8.753 0.569 -1.547 1.00 0.00 C ATOM 614 C CYS A 45 -10.152 -0.055 -1.544 1.00 0.00 C ATOM 615 O CYS A 45 -10.533 -0.731 -0.589 1.00 0.00 O ATOM 616 CB CYS A 45 -8.626 1.583 -0.406 1.00 0.00 C ATOM 617 SG CYS A 45 -8.249 0.847 1.220 1.00 0.00 S ATOM 0 H CYS A 45 -8.489 2.228 -2.805 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.031 -0.234 -1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.843 2.298 -0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.557 2.144 -0.330 1.00 0.00 H new ATOM 622 N LEU A 46 -10.909 0.167 -2.617 1.00 0.00 N ATOM 623 CA LEU A 46 -12.259 -0.381 -2.741 1.00 0.00 C ATOM 624 C LEU A 46 -13.244 0.296 -1.791 1.00 0.00 C ATOM 625 O LEU A 46 -14.386 -0.145 -1.664 1.00 0.00 O ATOM 626 CB LEU A 46 -12.263 -1.894 -2.480 1.00 0.00 C ATOM 627 CG LEU A 46 -11.205 -2.713 -3.231 1.00 0.00 C ATOM 628 CD1 LEU A 46 -10.832 -2.057 -4.553 1.00 0.00 C ATOM 629 CD2 LEU A 46 -9.975 -2.911 -2.359 1.00 0.00 C ATOM 0 H LEU A 46 -10.609 0.725 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.580 -0.186 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.128 -2.058 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.247 -2.284 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.631 -3.690 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.081 -2.662 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.718 -1.977 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.430 -1.062 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.232 -3.494 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.554 -1.940 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.256 -3.441 -1.449 1.00 0.00 H new ATOM 641 N TYR A 47 -12.815 1.363 -1.123 1.00 0.00 N ATOM 642 CA TYR A 47 -13.695 2.066 -0.198 1.00 0.00 C ATOM 643 C TYR A 47 -13.110 3.423 0.219 1.00 0.00 C ATOM 644 O TYR A 47 -12.538 4.129 -0.611 1.00 0.00 O ATOM 645 CB TYR A 47 -13.986 1.179 1.020 1.00 0.00 C ATOM 646 CG TYR A 47 -12.758 0.540 1.638 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.922 1.255 2.492 1.00 0.00 C ATOM 648 CD2 TYR A 47 -12.442 -0.788 1.377 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.811 0.665 3.062 1.00 0.00 C ATOM 650 CE2 TYR A 47 -11.334 -1.384 1.947 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.523 -0.653 2.789 1.00 0.00 C ATOM 652 OH TYR A 47 -9.419 -1.239 3.364 1.00 0.00 O ATOM 0 H TYR A 47 -11.877 1.755 -1.203 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.636 2.275 -0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.489 1.778 1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.680 0.392 0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.146 2.288 2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.074 -1.364 0.717 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.171 1.235 3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.104 -2.418 1.734 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.290 -2.134 2.987 1.00 0.00 H new ATOM 662 N ASN A 48 -13.280 3.787 1.499 1.00 0.00 N ATOM 663 CA ASN A 48 -12.798 5.058 2.047 1.00 0.00 C ATOM 664 C ASN A 48 -13.935 6.076 2.091 1.00 0.00 C ATOM 665 O ASN A 48 -15.107 5.698 2.112 1.00 0.00 O ATOM 666 CB ASN A 48 -11.602 5.609 1.259 1.00 0.00 C ATOM 667 CG ASN A 48 -10.624 6.351 2.150 1.00 0.00 C ATOM 668 OD1 ASN A 48 -10.153 5.817 3.155 1.00 0.00 O ATOM 669 ND2 ASN A 48 -10.313 7.589 1.783 1.00 0.00 N ATOM 0 H ASN A 48 -13.759 3.203 2.184 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.450 4.870 3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.087 4.787 0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.961 6.280 0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.659 8.138 2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.728 7.991 0.942 1.00 0.00 H new ATOM 676 N SER A 49 -13.598 7.364 2.121 1.00 0.00 N ATOM 677 CA SER A 49 -14.610 8.416 2.182 1.00 0.00 C ATOM 678 C SER A 49 -15.270 8.454 3.558 1.00 0.00 C ATOM 679 O SER A 49 -16.276 9.135 3.755 1.00 0.00 O ATOM 680 CB SER A 49 -15.680 8.200 1.108 1.00 0.00 C ATOM 681 OG SER A 49 -15.677 9.254 0.162 1.00 0.00 O ATOM 0 H SER A 49 -12.636 7.703 2.104 1.00 0.00 H new ATOM 0 HA SER A 49 -14.111 9.368 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.503 7.252 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.661 8.132 1.577 1.00 0.00 H new ATOM 0 HG SER A 49 -16.368 9.090 -0.513 1.00 0.00 H new ATOM 687 N THR A 50 -14.700 7.717 4.508 1.00 0.00 N ATOM 688 CA THR A 50 -15.238 7.668 5.858 1.00 0.00 C ATOM 689 C THR A 50 -14.146 7.310 6.860 1.00 0.00 C ATOM 690 O THR A 50 -14.015 7.944 7.907 1.00 0.00 O ATOM 691 CB THR A 50 -16.373 6.646 5.938 1.00 0.00 C ATOM 692 OG1 THR A 50 -16.119 5.547 5.082 1.00 0.00 O ATOM 693 CG2 THR A 50 -17.721 7.220 5.561 1.00 0.00 C ATOM 0 H THR A 50 -13.866 7.147 4.365 1.00 0.00 H new ATOM 0 HA THR A 50 -15.629 8.655 6.107 1.00 0.00 H new ATOM 0 HB THR A 50 -16.408 6.333 6.982 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.855 4.904 5.148 1.00 0.00 H new ATOM 0 HG21 THR A 50 -18.482 6.443 5.639 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.969 8.040 6.235 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.685 7.591 4.537 1.00 0.00 H new ATOM 701 N GLY A 51 -13.364 6.287 6.528 1.00 0.00 N ATOM 702 CA GLY A 51 -12.290 5.856 7.403 1.00 0.00 C ATOM 703 C GLY A 51 -11.207 5.098 6.659 1.00 0.00 C ATOM 704 O GLY A 51 -10.773 5.518 5.587 1.00 0.00 O ATOM 0 H GLY A 51 -13.456 5.748 5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.851 6.726 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.698 5.222 8.190 1.00 0.00 H new ATOM 708 N SER A 52 -10.770 3.979 7.229 1.00 0.00 N ATOM 709 CA SER A 52 -9.731 3.163 6.611 1.00 0.00 C ATOM 710 C SER A 52 -9.558 1.841 7.355 1.00 0.00 C ATOM 711 O SER A 52 -9.710 1.779 8.575 1.00 0.00 O ATOM 712 CB SER A 52 -8.404 3.922 6.582 1.00 0.00 C ATOM 713 OG SER A 52 -8.128 4.516 7.839 1.00 0.00 O ATOM 0 H SER A 52 -11.119 3.617 8.117 1.00 0.00 H new ATOM 0 HA SER A 52 -10.039 2.945 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.597 3.240 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.439 4.693 5.812 1.00 0.00 H new ATOM 0 HG SER A 52 -7.273 4.994 7.794 1.00 0.00 H new ATOM 719 N GLY A 53 -9.238 0.787 6.610 1.00 0.00 N ATOM 720 CA GLY A 53 -9.048 -0.520 7.214 1.00 0.00 C ATOM 721 C GLY A 53 -9.212 -1.652 6.217 1.00 0.00 C ATOM 722 O GLY A 53 -8.297 -1.948 5.449 1.00 0.00 O ATOM 0 H GLY A 53 -9.107 0.815 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.053 -0.571 7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.764 -0.649 8.026 1.00 0.00 H new ATOM 726 N SER A 54 -10.381 -2.286 6.231 1.00 0.00 N ATOM 727 CA SER A 54 -10.665 -3.393 5.324 1.00 0.00 C ATOM 728 C SER A 54 -12.097 -3.886 5.501 1.00 0.00 C ATOM 729 O SER A 54 -12.415 -4.563 6.479 1.00 0.00 O ATOM 730 CB SER A 54 -9.685 -4.543 5.565 1.00 0.00 C ATOM 731 OG SER A 54 -9.991 -5.233 6.764 1.00 0.00 O ATOM 0 H SER A 54 -11.148 -2.051 6.862 1.00 0.00 H new ATOM 0 HA SER A 54 -10.546 -3.032 4.302 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.719 -5.236 4.724 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.668 -4.154 5.616 1.00 0.00 H new ATOM 0 HG SER A 54 -10.826 -4.883 7.139 1.00 0.00 H new ATOM 737 N GLY A 55 -12.957 -3.540 4.549 1.00 0.00 N ATOM 738 CA GLY A 55 -14.345 -3.955 4.616 1.00 0.00 C ATOM 739 C GLY A 55 -14.963 -4.129 3.243 1.00 0.00 C ATOM 740 O GLY A 55 -16.170 -3.958 3.072 1.00 0.00 O ATOM 0 H GLY A 55 -12.717 -2.979 3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.414 -4.894 5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.916 -3.215 5.177 1.00 0.00 H new ATOM 744 N SER A 56 -14.133 -4.470 2.262 1.00 0.00 N ATOM 745 CA SER A 56 -14.605 -4.668 0.897 1.00 0.00 C ATOM 746 C SER A 56 -14.884 -6.143 0.627 1.00 0.00 C ATOM 747 O SER A 56 -15.850 -6.488 -0.053 1.00 0.00 O ATOM 748 CB SER A 56 -13.574 -4.141 -0.103 1.00 0.00 C ATOM 749 OG SER A 56 -14.201 -3.688 -1.291 1.00 0.00 O ATOM 0 H SER A 56 -13.131 -4.615 2.387 1.00 0.00 H new ATOM 0 HA SER A 56 -15.535 -4.112 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.009 -3.325 0.348 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.860 -4.929 -0.343 1.00 0.00 H new ATOM 0 HG SER A 56 -13.988 -4.299 -2.027 1.00 0.00 H new ATOM 755 N GLY A 57 -14.031 -7.010 1.164 1.00 0.00 N ATOM 756 CA GLY A 57 -14.204 -8.438 0.970 1.00 0.00 C ATOM 757 C GLY A 57 -12.960 -9.106 0.416 1.00 0.00 C ATOM 758 O GLY A 57 -11.843 -8.646 0.651 1.00 0.00 O ATOM 0 H GLY A 57 -13.223 -6.749 1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.468 -8.901 1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.038 -8.610 0.290 1.00 0.00 H new ATOM 762 N SER A 129 -13.156 -10.195 -0.322 1.00 0.00 N ATOM 763 CA SER A 129 -12.043 -10.931 -0.913 1.00 0.00 C ATOM 764 C SER A 129 -11.219 -10.031 -1.826 1.00 0.00 C ATOM 765 O SER A 129 -10.002 -10.183 -1.931 1.00 0.00 O ATOM 766 CB SER A 129 -12.564 -12.135 -1.699 1.00 0.00 C ATOM 767 OG SER A 129 -13.207 -13.064 -0.843 1.00 0.00 O ATOM 0 H SER A 129 -14.075 -10.587 -0.525 1.00 0.00 H new ATOM 0 HA SER A 129 -11.401 -11.282 -0.105 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.262 -11.798 -2.465 1.00 0.00 H new ATOM 0 HB3 SER A 129 -11.736 -12.623 -2.214 1.00 0.00 H new ATOM 0 HG SER A 129 -13.532 -13.823 -1.370 1.00 0.00 H new ATOM 773 N THR A 130 -11.889 -9.091 -2.484 1.00 0.00 N ATOM 774 CA THR A 130 -11.215 -8.168 -3.387 1.00 0.00 C ATOM 775 C THR A 130 -10.207 -7.308 -2.631 1.00 0.00 C ATOM 776 O THR A 130 -9.161 -6.944 -3.169 1.00 0.00 O ATOM 777 CB THR A 130 -12.235 -7.276 -4.095 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.471 -7.950 -4.248 1.00 0.00 O ATOM 779 CG2 THR A 130 -11.782 -6.827 -5.466 1.00 0.00 C ATOM 0 H THR A 130 -12.896 -8.949 -2.409 1.00 0.00 H new ATOM 0 HA THR A 130 -10.679 -8.755 -4.133 1.00 0.00 H new ATOM 0 HB THR A 130 -12.343 -6.397 -3.459 1.00 0.00 H new ATOM 0 HG1 THR A 130 -14.110 -7.362 -4.701 1.00 0.00 H new ATOM 0 HG21 THR A 130 -12.550 -6.197 -5.915 1.00 0.00 H new ATOM 0 HG22 THR A 130 -10.855 -6.260 -5.375 1.00 0.00 H new ATOM 0 HG23 THR A 130 -11.613 -7.699 -6.097 1.00 0.00 H new ATOM 787 N GLU A 131 -10.527 -6.990 -1.381 1.00 0.00 N ATOM 788 CA GLU A 131 -9.645 -6.175 -0.555 1.00 0.00 C ATOM 789 C GLU A 131 -8.313 -6.883 -0.327 1.00 0.00 C ATOM 790 O GLU A 131 -7.250 -6.273 -0.439 1.00 0.00 O ATOM 791 CB GLU A 131 -10.312 -5.854 0.785 1.00 0.00 C ATOM 792 CG GLU A 131 -9.363 -5.256 1.808 1.00 0.00 C ATOM 793 CD GLU A 131 -8.824 -3.903 1.392 1.00 0.00 C ATOM 794 OE1 GLU A 131 -8.862 -3.591 0.185 1.00 0.00 O ATOM 795 OE2 GLU A 131 -8.357 -3.158 2.276 1.00 0.00 O ATOM 0 H GLU A 131 -11.388 -7.283 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.452 -5.240 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.134 -5.159 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -10.745 -6.767 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.881 -5.157 2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -8.530 -5.940 1.967 1.00 0.00 H new ATOM 802 N GLU A 132 -8.373 -8.171 -0.011 1.00 0.00 N ATOM 803 CA GLU A 132 -7.163 -8.949 0.221 1.00 0.00 C ATOM 804 C GLU A 132 -6.462 -9.244 -1.097 1.00 0.00 C ATOM 805 O GLU A 132 -5.241 -9.197 -1.188 1.00 0.00 O ATOM 806 CB GLU A 132 -7.490 -10.262 0.938 1.00 0.00 C ATOM 807 CG GLU A 132 -8.448 -10.101 2.105 1.00 0.00 C ATOM 808 CD GLU A 132 -7.756 -10.211 3.450 1.00 0.00 C ATOM 809 OE1 GLU A 132 -6.740 -9.513 3.654 1.00 0.00 O ATOM 810 OE2 GLU A 132 -8.229 -10.996 4.299 1.00 0.00 O ATOM 0 H GLU A 132 -9.242 -8.696 0.090 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.500 -8.361 0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.921 -10.960 0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.564 -10.708 1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.942 -9.132 2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.226 -10.861 2.038 1.00 0.00 H new ATOM 817 N LEU A 133 -7.252 -9.551 -2.117 1.00 0.00 N ATOM 818 CA LEU A 133 -6.723 -9.864 -3.440 1.00 0.00 C ATOM 819 C LEU A 133 -5.634 -8.877 -3.871 1.00 0.00 C ATOM 820 O LEU A 133 -4.710 -9.243 -4.598 1.00 0.00 O ATOM 821 CB LEU A 133 -7.862 -9.871 -4.462 1.00 0.00 C ATOM 822 CG LEU A 133 -8.397 -11.257 -4.839 1.00 0.00 C ATOM 823 CD1 LEU A 133 -8.506 -12.149 -3.608 1.00 0.00 C ATOM 824 CD2 LEU A 133 -9.748 -11.133 -5.530 1.00 0.00 C ATOM 0 H LEU A 133 -8.269 -9.590 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.265 -10.852 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.686 -9.277 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.517 -9.374 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 133 -7.693 -11.719 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.888 -13.127 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -7.522 -12.264 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.187 -11.694 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.115 -12.125 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.457 -10.649 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.640 -10.536 -6.435 1.00 0.00 H new ATOM 836 N ARG A 134 -5.750 -7.628 -3.429 1.00 0.00 N ATOM 837 CA ARG A 134 -4.773 -6.601 -3.784 1.00 0.00 C ATOM 838 C ARG A 134 -3.698 -6.450 -2.708 1.00 0.00 C ATOM 839 O ARG A 134 -2.506 -6.410 -3.011 1.00 0.00 O ATOM 840 CB ARG A 134 -5.471 -5.257 -4.014 1.00 0.00 C ATOM 841 CG ARG A 134 -6.115 -4.681 -2.762 1.00 0.00 C ATOM 842 CD ARG A 134 -6.858 -3.387 -3.053 1.00 0.00 C ATOM 843 NE ARG A 134 -7.617 -3.453 -4.301 1.00 0.00 N ATOM 844 CZ ARG A 134 -7.111 -3.158 -5.497 1.00 0.00 C ATOM 845 NH1 ARG A 134 -5.845 -2.777 -5.618 1.00 0.00 N ATOM 846 NH2 ARG A 134 -7.875 -3.245 -6.578 1.00 0.00 N ATOM 0 H ARG A 134 -6.507 -7.303 -2.827 1.00 0.00 H new ATOM 0 HA ARG A 134 -4.286 -6.917 -4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -4.745 -4.542 -4.400 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -6.235 -5.381 -4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.807 -5.410 -2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.348 -4.498 -2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.536 -3.167 -2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.144 -2.565 -3.107 1.00 0.00 H new ATOM 0 HE ARG A 134 -8.594 -3.743 -4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -5.252 -2.708 -4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -5.466 -2.553 -6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -8.848 -3.537 -6.492 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -7.489 -3.019 -7.495 1.00 0.00 H new ATOM 860 N VAL A 135 -4.126 -6.352 -1.454 1.00 0.00 N ATOM 861 CA VAL A 135 -3.200 -6.188 -0.336 1.00 0.00 C ATOM 862 C VAL A 135 -2.499 -7.499 0.025 1.00 0.00 C ATOM 863 O VAL A 135 -1.587 -7.517 0.851 1.00 0.00 O ATOM 864 CB VAL A 135 -3.924 -5.644 0.910 1.00 0.00 C ATOM 865 CG1 VAL A 135 -2.922 -5.270 1.991 1.00 0.00 C ATOM 866 CG2 VAL A 135 -4.787 -4.448 0.541 1.00 0.00 C ATOM 0 H VAL A 135 -5.109 -6.383 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.447 -5.470 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 135 -4.571 -6.428 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -3.453 -4.888 2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.346 -6.151 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.247 -4.502 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.292 -4.075 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.159 -3.661 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.530 -4.749 -0.198 1.00 0.00 H new ATOM 876 N ARG A 136 -2.933 -8.594 -0.591 1.00 0.00 N ATOM 877 CA ARG A 136 -2.352 -9.906 -0.329 1.00 0.00 C ATOM 878 C ARG A 136 -1.210 -10.201 -1.296 1.00 0.00 C ATOM 879 O ARG A 136 -0.086 -10.481 -0.878 1.00 0.00 O ATOM 880 CB ARG A 136 -3.434 -10.980 -0.444 1.00 0.00 C ATOM 881 CG ARG A 136 -2.933 -12.395 -0.228 1.00 0.00 C ATOM 882 CD ARG A 136 -3.985 -13.416 -0.631 1.00 0.00 C ATOM 883 NE ARG A 136 -3.985 -13.662 -2.071 1.00 0.00 N ATOM 884 CZ ARG A 136 -3.118 -14.462 -2.687 1.00 0.00 C ATOM 885 NH1 ARG A 136 -2.182 -15.099 -1.993 1.00 0.00 N ATOM 886 NH2 ARG A 136 -3.188 -14.627 -4.001 1.00 0.00 N ATOM 0 H ARG A 136 -3.688 -8.598 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 136 -1.945 -9.910 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.218 -10.769 0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -3.890 -10.915 -1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -2.025 -12.555 -0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -2.669 -12.535 0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -3.803 -14.352 -0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -4.969 -13.063 -0.323 1.00 0.00 H new ATOM 0 HE ARG A 136 -4.691 -13.193 -2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.125 -14.977 -0.982 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.520 -15.711 -2.471 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -3.906 -14.141 -4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -2.524 -15.240 -4.474 1.00 0.00 H new ATOM 900 N LEU A 137 -1.502 -10.135 -2.591 1.00 0.00 N ATOM 901 CA LEU A 137 -0.495 -10.393 -3.614 1.00 0.00 C ATOM 902 C LEU A 137 0.657 -9.402 -3.497 1.00 0.00 C ATOM 903 O LEU A 137 1.826 -9.788 -3.509 1.00 0.00 O ATOM 904 CB LEU A 137 -1.120 -10.311 -5.011 1.00 0.00 C ATOM 905 CG LEU A 137 -0.154 -10.533 -6.180 1.00 0.00 C ATOM 906 CD1 LEU A 137 0.664 -9.278 -6.447 1.00 0.00 C ATOM 907 CD2 LEU A 137 0.760 -11.718 -5.904 1.00 0.00 C ATOM 0 H LEU A 137 -2.426 -9.905 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.104 -11.399 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -1.918 -11.050 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.583 -9.331 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 137 -0.742 -10.754 -7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.343 -9.457 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -0.005 -8.454 -6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 137 1.240 -9.023 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 137 1.438 -11.859 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 137 1.339 -11.528 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 137 0.159 -12.617 -5.768 1.00 0.00 H new ATOM 919 N ALA A 138 0.317 -8.122 -3.383 1.00 0.00 N ATOM 920 CA ALA A 138 1.322 -7.073 -3.261 1.00 0.00 C ATOM 921 C ALA A 138 2.230 -7.313 -2.060 1.00 0.00 C ATOM 922 O ALA A 138 3.353 -6.811 -2.010 1.00 0.00 O ATOM 923 CB ALA A 138 0.654 -5.712 -3.156 1.00 0.00 C ATOM 0 H ALA A 138 -0.646 -7.787 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 138 1.941 -7.095 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 138 1.417 -4.938 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.057 -5.530 -4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.009 -5.690 -2.278 1.00 0.00 H new ATOM 929 N SER A 139 1.742 -8.087 -1.096 1.00 0.00 N ATOM 930 CA SER A 139 2.515 -8.397 0.100 1.00 0.00 C ATOM 931 C SER A 139 3.604 -9.427 -0.199 1.00 0.00 C ATOM 932 O SER A 139 4.442 -9.718 0.652 1.00 0.00 O ATOM 933 CB SER A 139 1.584 -8.902 1.210 1.00 0.00 C ATOM 934 OG SER A 139 2.120 -10.040 1.864 1.00 0.00 O ATOM 0 H SER A 139 0.815 -8.511 -1.120 1.00 0.00 H new ATOM 0 HA SER A 139 3.006 -7.484 0.438 1.00 0.00 H new ATOM 0 HB2 SER A 139 1.420 -8.107 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.612 -9.150 0.785 1.00 0.00 H new ATOM 0 HG SER A 139 3.098 -9.982 1.872 1.00 0.00 H new ATOM 940 N HIS A 140 3.586 -9.974 -1.411 1.00 0.00 N ATOM 941 CA HIS A 140 4.568 -10.970 -1.820 1.00 0.00 C ATOM 942 C HIS A 140 5.997 -10.445 -1.673 1.00 0.00 C ATOM 943 O HIS A 140 6.923 -11.216 -1.422 1.00 0.00 O ATOM 944 CB HIS A 140 4.312 -11.398 -3.269 1.00 0.00 C ATOM 945 CG HIS A 140 4.541 -10.310 -4.278 1.00 0.00 C ATOM 946 ND1 HIS A 140 4.294 -8.975 -4.046 1.00 0.00 N ATOM 947 CD2 HIS A 140 5.005 -10.387 -5.551 1.00 0.00 C ATOM 948 CE1 HIS A 140 4.608 -8.299 -5.159 1.00 0.00 C ATOM 949 NE2 HIS A 140 5.045 -9.109 -6.102 1.00 0.00 N ATOM 0 H HIS A 140 2.899 -9.742 -2.128 1.00 0.00 H new ATOM 0 HA HIS A 140 4.460 -11.833 -1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 140 4.959 -12.242 -3.507 1.00 0.00 H new ATOM 0 HB3 HIS A 140 3.284 -11.750 -3.357 1.00 0.00 H new ATOM 0 HD2 HIS A 140 5.297 -11.296 -6.057 1.00 0.00 H new ATOM 0 HE1 HIS A 140 4.515 -7.229 -5.269 1.00 0.00 H new ATOM 0 HE2 HIS A 140 5.350 -8.853 -7.041 1.00 0.00 H new ATOM 957 N LEU A 141 6.173 -9.136 -1.836 1.00 0.00 N ATOM 958 CA LEU A 141 7.496 -8.528 -1.725 1.00 0.00 C ATOM 959 C LEU A 141 7.447 -7.198 -0.976 1.00 0.00 C ATOM 960 O LEU A 141 8.299 -6.918 -0.136 1.00 0.00 O ATOM 961 CB LEU A 141 8.095 -8.307 -3.114 1.00 0.00 C ATOM 962 CG LEU A 141 9.432 -7.560 -3.125 1.00 0.00 C ATOM 963 CD1 LEU A 141 10.560 -8.491 -3.538 1.00 0.00 C ATOM 964 CD2 LEU A 141 9.363 -6.350 -4.048 1.00 0.00 C ATOM 0 H LEU A 141 5.421 -8.479 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 141 8.123 -9.216 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.232 -9.276 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.379 -7.751 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 141 9.636 -7.205 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 141 11.502 -7.943 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.624 -9.320 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 141 10.364 -8.879 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.322 -5.833 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 141 9.134 -6.678 -5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.583 -5.672 -3.701 1.00 0.00 H new ATOM 976 N ARG A 142 6.459 -6.372 -1.304 1.00 0.00 N ATOM 977 CA ARG A 142 6.313 -5.058 -0.681 1.00 0.00 C ATOM 978 C ARG A 142 6.514 -5.117 0.833 1.00 0.00 C ATOM 979 O ARG A 142 7.541 -4.674 1.347 1.00 0.00 O ATOM 980 CB ARG A 142 4.939 -4.471 -1.005 1.00 0.00 C ATOM 981 CG ARG A 142 4.763 -4.119 -2.474 1.00 0.00 C ATOM 982 CD ARG A 142 5.911 -3.261 -2.985 1.00 0.00 C ATOM 983 NE ARG A 142 5.651 -2.737 -4.323 1.00 0.00 N ATOM 984 CZ ARG A 142 5.783 -3.451 -5.437 1.00 0.00 C ATOM 985 NH1 ARG A 142 6.174 -4.718 -5.380 1.00 0.00 N ATOM 986 NH2 ARG A 142 5.523 -2.896 -6.613 1.00 0.00 N ATOM 0 H ARG A 142 5.745 -6.589 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 142 7.090 -4.413 -1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.169 -5.187 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 142 4.784 -3.575 -0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 142 4.701 -5.034 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 142 3.821 -3.587 -2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 142 6.077 -2.432 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 142 6.827 -3.852 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 142 5.350 -1.766 -4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 142 6.375 -5.150 -4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 142 6.273 -5.260 -6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 142 5.222 -1.923 -6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 142 5.624 -3.443 -7.468 1.00 0.00 H new ATOM 1000 N LYS A 143 5.528 -5.653 1.544 1.00 0.00 N ATOM 1001 CA LYS A 143 5.604 -5.751 2.997 1.00 0.00 C ATOM 1002 C LYS A 143 6.497 -6.910 3.434 1.00 0.00 C ATOM 1003 O LYS A 143 7.286 -6.776 4.370 1.00 0.00 O ATOM 1004 CB LYS A 143 4.207 -5.911 3.594 1.00 0.00 C ATOM 1005 CG LYS A 143 4.067 -5.291 4.974 1.00 0.00 C ATOM 1006 CD LYS A 143 4.232 -3.780 4.931 1.00 0.00 C ATOM 1007 CE LYS A 143 2.894 -3.066 5.036 1.00 0.00 C ATOM 1008 NZ LYS A 143 2.650 -2.541 6.408 1.00 0.00 N ATOM 0 H LYS A 143 4.669 -6.025 1.139 1.00 0.00 H new ATOM 0 HA LYS A 143 6.047 -4.827 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.479 -5.455 2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 143 3.965 -6.972 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 143 3.089 -5.539 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 143 4.813 -5.720 5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 143 4.880 -3.461 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 143 4.725 -3.494 4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 143 2.865 -2.243 4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 143 2.093 -3.753 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 1.682 -2.778 6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 3.329 -2.970 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 2.769 -1.508 6.411 1.00 0.00 H new ATOM 1022 N LEU A 144 6.372 -8.047 2.756 1.00 0.00 N ATOM 1023 CA LEU A 144 7.174 -9.223 3.086 1.00 0.00 C ATOM 1024 C LEU A 144 8.664 -8.915 2.972 1.00 0.00 C ATOM 1025 O LEU A 144 9.462 -9.340 3.808 1.00 0.00 O ATOM 1026 CB LEU A 144 6.813 -10.391 2.167 1.00 0.00 C ATOM 1027 CG LEU A 144 5.651 -11.259 2.651 1.00 0.00 C ATOM 1028 CD1 LEU A 144 5.179 -12.192 1.543 1.00 0.00 C ATOM 1029 CD2 LEU A 144 6.059 -12.053 3.883 1.00 0.00 C ATOM 0 H LEU A 144 5.726 -8.180 1.978 1.00 0.00 H new ATOM 0 HA LEU A 144 6.955 -9.501 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 144 6.566 -9.995 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 144 7.693 -11.023 2.045 1.00 0.00 H new ATOM 0 HG LEU A 144 4.822 -10.605 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 144 4.352 -12.801 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 144 4.847 -11.603 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 144 6.001 -12.841 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.221 -12.666 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 144 6.904 -12.696 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 144 6.345 -11.367 4.680 1.00 0.00 H new ATOM 1041 N ARG A 145 9.029 -8.176 1.931 1.00 0.00 N ATOM 1042 CA ARG A 145 10.421 -7.810 1.698 1.00 0.00 C ATOM 1043 C ARG A 145 10.689 -6.375 2.171 1.00 0.00 C ATOM 1044 O ARG A 145 10.154 -5.952 3.196 1.00 0.00 O ATOM 1045 CB ARG A 145 10.760 -7.977 0.212 1.00 0.00 C ATOM 1046 CG ARG A 145 12.174 -8.476 -0.036 1.00 0.00 C ATOM 1047 CD ARG A 145 12.384 -9.863 0.550 1.00 0.00 C ATOM 1048 NE ARG A 145 13.007 -9.813 1.870 1.00 0.00 N ATOM 1049 CZ ARG A 145 14.317 -9.693 2.069 1.00 0.00 C ATOM 1050 NH1 ARG A 145 15.148 -9.600 1.037 1.00 0.00 N ATOM 1051 NH2 ARG A 145 14.799 -9.662 3.303 1.00 0.00 N ATOM 0 H ARG A 145 8.378 -7.817 1.233 1.00 0.00 H new ATOM 0 HA ARG A 145 11.065 -8.473 2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 145 10.053 -8.675 -0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 145 10.628 -7.020 -0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 145 12.371 -8.499 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 145 12.889 -7.781 0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 145 11.424 -10.375 0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 145 13.009 -10.450 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 145 12.401 -9.874 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 145 14.783 -9.620 0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 145 16.151 -9.508 1.197 1.00 0.00 H new ATOM 0 HH21 ARG A 145 14.166 -9.730 4.100 1.00 0.00 H new ATOM 0 HH22 ARG A 145 15.803 -9.570 3.456 1.00 0.00 H new ATOM 1065 N LYS A 146 11.522 -5.632 1.433 1.00 0.00 N ATOM 1066 CA LYS A 146 11.858 -4.253 1.792 1.00 0.00 C ATOM 1067 C LYS A 146 12.931 -4.225 2.875 1.00 0.00 C ATOM 1068 O LYS A 146 12.759 -3.589 3.915 1.00 0.00 O ATOM 1069 CB LYS A 146 10.617 -3.490 2.265 1.00 0.00 C ATOM 1070 CG LYS A 146 10.751 -1.980 2.148 1.00 0.00 C ATOM 1071 CD LYS A 146 11.090 -1.559 0.730 1.00 0.00 C ATOM 1072 CE LYS A 146 12.543 -1.140 0.606 1.00 0.00 C ATOM 1073 NZ LYS A 146 12.952 -0.207 1.692 1.00 0.00 N ATOM 0 H LYS A 146 11.976 -5.965 0.582 1.00 0.00 H new ATOM 0 HA LYS A 146 12.246 -3.762 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 146 9.756 -3.816 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 146 10.415 -3.749 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 146 9.819 -1.506 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 146 11.527 -1.629 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 146 10.889 -2.384 0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 146 10.445 -0.733 0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 146 13.178 -2.025 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 146 12.701 -0.662 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 13.634 0.483 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 12.115 0.294 2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 13.393 -0.746 2.465 1.00 0.00 H new ATOM 1087 N ARG A 147 14.036 -4.924 2.626 1.00 0.00 N ATOM 1088 CA ARG A 147 15.136 -4.987 3.582 1.00 0.00 C ATOM 1089 C ARG A 147 14.670 -5.626 4.886 1.00 0.00 C ATOM 1090 O ARG A 147 14.904 -6.810 5.127 1.00 0.00 O ATOM 1091 CB ARG A 147 15.695 -3.588 3.853 1.00 0.00 C ATOM 1092 CG ARG A 147 16.510 -3.024 2.701 1.00 0.00 C ATOM 1093 CD ARG A 147 15.630 -2.683 1.510 1.00 0.00 C ATOM 1094 NE ARG A 147 15.932 -1.361 0.966 1.00 0.00 N ATOM 1095 CZ ARG A 147 17.027 -1.081 0.261 1.00 0.00 C ATOM 1096 NH1 ARG A 147 17.924 -2.028 0.012 1.00 0.00 N ATOM 1097 NH2 ARG A 147 17.225 0.147 -0.196 1.00 0.00 N ATOM 0 H ARG A 147 14.192 -5.455 1.769 1.00 0.00 H new ATOM 0 HA ARG A 147 15.928 -5.601 3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 147 14.868 -2.911 4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 147 16.319 -3.622 4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 147 17.039 -2.130 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 147 17.266 -3.749 2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 147 15.766 -3.435 0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 147 14.583 -2.721 1.811 1.00 0.00 H new ATOM 0 HE ARG A 147 15.265 -0.608 1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 147 17.776 -2.975 0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 147 18.761 -1.808 -0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 147 16.539 0.878 -0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 147 18.064 0.361 -0.736 1.00 0.00 H new ATOM 1111 N LEU A 148 13.997 -4.838 5.717 1.00 0.00 N ATOM 1112 CA LEU A 148 13.487 -5.328 6.989 1.00 0.00 C ATOM 1113 C LEU A 148 12.106 -4.750 7.274 1.00 0.00 C ATOM 1114 O LEU A 148 11.734 -3.707 6.736 1.00 0.00 O ATOM 1115 CB LEU A 148 14.443 -4.972 8.128 1.00 0.00 C ATOM 1116 CG LEU A 148 15.726 -5.806 8.191 1.00 0.00 C ATOM 1117 CD1 LEU A 148 15.407 -7.291 8.101 1.00 0.00 C ATOM 1118 CD2 LEU A 148 16.684 -5.394 7.083 1.00 0.00 C ATOM 0 H LEU A 148 13.793 -3.856 5.531 1.00 0.00 H new ATOM 0 HA LEU A 148 13.408 -6.413 6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 148 14.717 -3.921 8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 148 13.912 -5.081 9.074 1.00 0.00 H new ATOM 0 HG LEU A 148 16.210 -5.620 9.150 1.00 0.00 H new ATOM 0 HD11 LEU A 148 16.332 -7.865 8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 148 14.761 -7.575 8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 148 14.899 -7.498 7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 148 17.590 -5.997 7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 148 16.208 -5.549 6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 148 16.941 -4.341 7.197 1.00 0.00 H new ATOM 1130 N LEU A 149 11.351 -5.434 8.125 1.00 0.00 N ATOM 1131 CA LEU A 149 10.010 -4.991 8.485 1.00 0.00 C ATOM 1132 C LEU A 149 10.061 -3.962 9.609 1.00 0.00 C ATOM 1133 O LEU A 149 8.984 -3.474 10.014 1.00 0.00 O ATOM 1134 CB LEU A 149 9.154 -6.189 8.905 1.00 0.00 C ATOM 1135 CG LEU A 149 9.672 -6.967 10.116 1.00 0.00 C ATOM 1136 CD1 LEU A 149 9.348 -6.229 11.406 1.00 0.00 C ATOM 1137 CD2 LEU A 149 9.079 -8.368 10.141 1.00 0.00 C ATOM 1138 OXT LEU A 149 11.177 -3.655 10.078 1.00 0.00 O ATOM 0 H LEU A 149 11.645 -6.299 8.579 1.00 0.00 H new ATOM 0 HA LEU A 149 9.559 -4.521 7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 149 8.146 -5.836 9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 149 9.076 -6.873 8.060 1.00 0.00 H new ATOM 0 HG LEU A 149 10.756 -7.051 10.032 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.725 -6.799 12.256 1.00 0.00 H new ATOM 0 HD12 LEU A 149 9.819 -5.246 11.391 1.00 0.00 H new ATOM 0 HD13 LEU A 149 8.268 -6.113 11.497 1.00 0.00 H new ATOM 0 HD21 LEU A 149 9.458 -8.908 11.009 1.00 0.00 H new ATOM 0 HD22 LEU A 149 7.993 -8.302 10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.361 -8.899 9.232 1.00 0.00 H new TER 1150 LEU A 149 HETATM 1151 CA CA A 81 -1.393 1.275 4.474 1.00 0.33 CA