USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=22 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 Single : A 1 GLY N :NH3+ -124:sc= -0.0681 (180deg=-1.97!) USER MOD Single : A 2 SER OG : rot 90:sc= 0.115 USER MOD Single : A 2ALYS NZ :NH3+ -148:sc= -0.309 (180deg=-1.52!) USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= -1.13 (180deg=-2.41!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 10 SER OG : rot 57:sc= 1.16 USER MOD Single : A 11 SER OG : rot 172:sc= -0.261 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 10:sc= -3.04! USER MOD Single : A 18 HIS : no HD1:sc= -0.665 K(o=-0.67,f=-0.04) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 46:sc= 0.964 USER MOD Single : A 47 TYR OH : rot 27:sc= -1.41 USER MOD Single : A 48 ASN : amide:sc= -3.16! C(o=-3.2!,f=-6.2!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -80:sc= -1.05 USER MOD Single : A 52 SER OG : rot 44:sc= -1.15! USER MOD Single : A 54 SER OG : rot 41:sc= 0.301 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 139 SER OG : rot 13:sc= 0.626! USER MOD Single : A 140 HIS : no HE2:sc= -8.98! C(o=-9!,f=-12!) USER MOD Single : A 143 LYS NZ :NH3+ -129:sc= -0.831 (180deg=-4.89!) USER MOD Single : A 146 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0859) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.206 9.448 1.958 1.00 0.00 N ATOM 2 CA GLY A 1 6.091 10.275 2.499 1.00 0.00 C ATOM 3 C GLY A 1 6.007 10.222 4.012 1.00 0.00 C ATOM 4 O GLY A 1 6.556 11.081 4.701 1.00 0.00 O ATOM 0 H1 GLY A 1 7.827 10.043 1.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.754 9.046 2.745 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.817 8.677 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.224 11.309 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.148 9.930 2.074 1.00 0.00 H new ATOM 10 N SER A 2 5.317 9.210 4.529 1.00 0.00 N ATOM 11 CA SER A 2 5.162 9.049 5.970 1.00 0.00 C ATOM 12 C SER A 2 6.086 7.954 6.498 1.00 0.00 C ATOM 13 O SER A 2 7.160 8.239 7.029 1.00 0.00 O ATOM 14 CB SER A 2 3.708 8.719 6.313 1.00 0.00 C ATOM 15 OG SER A 2 2.860 9.826 6.058 1.00 0.00 O ATOM 0 H SER A 2 4.857 8.490 3.972 1.00 0.00 H new ATOM 0 HA SER A 2 5.435 9.990 6.448 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.378 7.862 5.726 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.634 8.434 7.363 1.00 0.00 H new ATOM 0 HG SER A 2 2.529 9.779 5.137 1.00 0.00 H new ATOM 21 N LYS A 2A 5.664 6.702 6.350 1.00 0.00 N ATOM 22 CA LYS A 2A 6.457 5.569 6.812 1.00 0.00 C ATOM 23 C LYS A 2A 7.162 4.885 5.645 1.00 0.00 C ATOM 24 O LYS A 2A 7.527 3.713 5.731 1.00 0.00 O ATOM 25 CB LYS A 2A 5.567 4.564 7.544 1.00 0.00 C ATOM 26 CG LYS A 2A 5.165 5.009 8.940 1.00 0.00 C ATOM 27 CD LYS A 2A 4.007 5.995 8.900 1.00 0.00 C ATOM 28 CE LYS A 2A 4.408 7.351 9.457 1.00 0.00 C ATOM 29 NZ LYS A 2A 5.168 7.226 10.731 1.00 0.00 N ATOM 0 H LYS A 2A 4.778 6.447 5.914 1.00 0.00 H new ATOM 0 HA LYS A 2A 7.214 5.944 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 4.667 4.392 6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 6.091 3.611 7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 4.883 4.139 9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 6.019 5.470 9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 3.662 6.111 7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 3.170 5.598 9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 5.015 7.880 8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 3.515 7.953 9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 4.966 8.046 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 4.883 6.354 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 6.187 7.190 10.525 1.00 0.00 H new ATOM 43 N LEU A 2B 7.350 5.623 4.556 1.00 0.00 N ATOM 44 CA LEU A 2B 8.012 5.084 3.375 1.00 0.00 C ATOM 45 C LEU A 2B 9.524 5.259 3.477 1.00 0.00 C ATOM 46 O LEU A 2B 10.028 6.382 3.497 1.00 0.00 O ATOM 47 CB LEU A 2B 7.485 5.769 2.112 1.00 0.00 C ATOM 48 CG LEU A 2B 6.205 5.162 1.536 1.00 0.00 C ATOM 49 CD1 LEU A 2B 5.129 5.070 2.607 1.00 0.00 C ATOM 50 CD2 LEU A 2B 5.710 5.978 0.352 1.00 0.00 C ATOM 0 H LEU A 2B 7.053 6.595 4.467 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.792 4.018 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 7.303 6.820 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 8.261 5.736 1.348 1.00 0.00 H new ATOM 0 HG LEU A 2B 6.431 4.154 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 4.226 4.636 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.482 4.441 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 4.907 6.067 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 4.799 5.530 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 5.502 6.998 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 6.474 5.992 -0.425 1.00 0.00 H new ATOM 62 N GLU A 3 10.242 4.143 3.545 1.00 0.00 N ATOM 63 CA GLU A 3 11.697 4.177 3.648 1.00 0.00 C ATOM 64 C GLU A 3 12.347 3.891 2.299 1.00 0.00 C ATOM 65 O GLU A 3 13.380 3.225 2.224 1.00 0.00 O ATOM 66 CB GLU A 3 12.196 3.171 4.691 1.00 0.00 C ATOM 67 CG GLU A 3 11.353 1.910 4.786 1.00 0.00 C ATOM 68 CD GLU A 3 11.287 1.151 3.475 1.00 0.00 C ATOM 69 OE1 GLU A 3 12.356 0.769 2.955 1.00 0.00 O ATOM 70 OE2 GLU A 3 10.165 0.939 2.968 1.00 0.00 O ATOM 0 H GLU A 3 9.841 3.205 3.531 1.00 0.00 H new ATOM 0 HA GLU A 3 11.981 5.180 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.222 2.893 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.218 3.656 5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.765 1.260 5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.343 2.175 5.099 1.00 0.00 H new ATOM 77 N GLY A 4 11.737 4.402 1.235 1.00 0.00 N ATOM 78 CA GLY A 4 12.272 4.193 -0.096 1.00 0.00 C ATOM 79 C GLY A 4 11.700 2.963 -0.768 1.00 0.00 C ATOM 80 O GLY A 4 12.392 1.958 -0.928 1.00 0.00 O ATOM 0 H GLY A 4 10.882 4.957 1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.061 5.069 -0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.356 4.099 -0.037 1.00 0.00 H new ATOM 84 N LYS A 5 10.435 3.042 -1.164 1.00 0.00 N ATOM 85 CA LYS A 5 9.774 1.925 -1.826 1.00 0.00 C ATOM 86 C LYS A 5 9.913 2.035 -3.340 1.00 0.00 C ATOM 87 O LYS A 5 10.686 2.850 -3.845 1.00 0.00 O ATOM 88 CB LYS A 5 8.295 1.872 -1.433 1.00 0.00 C ATOM 89 CG LYS A 5 7.918 0.620 -0.658 1.00 0.00 C ATOM 90 CD LYS A 5 8.201 -0.640 -1.461 1.00 0.00 C ATOM 91 CE LYS A 5 7.849 -1.893 -0.677 1.00 0.00 C ATOM 92 NZ LYS A 5 8.514 -3.103 -1.237 1.00 0.00 N ATOM 0 H LYS A 5 9.848 3.867 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 5 10.257 1.003 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.056 2.748 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.685 1.929 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.476 0.589 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.860 0.657 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.629 -0.617 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.255 -0.667 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.145 -1.765 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.768 -2.035 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.629 -3.814 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.930 -3.497 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.448 -2.843 -1.613 1.00 0.00 H new ATOM 106 N THR A 6 9.160 1.211 -4.061 1.00 0.00 N ATOM 107 CA THR A 6 9.202 1.218 -5.517 1.00 0.00 C ATOM 108 C THR A 6 7.819 1.491 -6.099 1.00 0.00 C ATOM 109 O THR A 6 6.833 1.577 -5.367 1.00 0.00 O ATOM 110 CB THR A 6 9.733 -0.119 -6.037 1.00 0.00 C ATOM 111 OG1 THR A 6 9.514 -0.241 -7.431 1.00 0.00 O ATOM 112 CG2 THR A 6 9.096 -1.316 -5.365 1.00 0.00 C ATOM 0 H THR A 6 8.514 0.531 -3.660 1.00 0.00 H new ATOM 0 HA THR A 6 9.873 2.016 -5.834 1.00 0.00 H new ATOM 0 HB THR A 6 10.798 -0.115 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.863 -1.102 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.516 -2.232 -5.779 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.292 -1.279 -4.293 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.020 -1.300 -5.538 1.00 0.00 H new ATOM 120 N CYS A 7 7.755 1.630 -7.419 1.00 0.00 N ATOM 121 CA CYS A 7 6.490 1.897 -8.096 1.00 0.00 C ATOM 122 C CYS A 7 6.294 0.964 -9.292 1.00 0.00 C ATOM 123 O CYS A 7 5.364 1.143 -10.080 1.00 0.00 O ATOM 124 CB CYS A 7 6.419 3.360 -8.563 1.00 0.00 C ATOM 125 SG CYS A 7 7.838 4.395 -8.066 1.00 0.00 S ATOM 0 H CYS A 7 8.561 1.563 -8.040 1.00 0.00 H new ATOM 0 HA CYS A 7 5.691 1.714 -7.378 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.340 3.376 -9.650 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.506 3.808 -8.170 1.00 0.00 H new ATOM 130 N GLY A 8 7.170 -0.029 -9.428 1.00 0.00 N ATOM 131 CA GLY A 8 7.064 -0.964 -10.534 1.00 0.00 C ATOM 132 C GLY A 8 5.811 -1.816 -10.456 1.00 0.00 C ATOM 133 O GLY A 8 4.763 -1.425 -10.968 1.00 0.00 O ATOM 0 H GLY A 8 7.949 -0.202 -8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.066 -0.412 -11.474 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.940 -1.612 -10.543 1.00 0.00 H new ATOM 137 N PRO A 9 5.890 -2.999 -9.820 1.00 0.00 N ATOM 138 CA PRO A 9 4.743 -3.906 -9.683 1.00 0.00 C ATOM 139 C PRO A 9 3.552 -3.233 -9.005 1.00 0.00 C ATOM 140 O PRO A 9 3.397 -2.014 -9.072 1.00 0.00 O ATOM 141 CB PRO A 9 5.285 -5.043 -8.810 1.00 0.00 C ATOM 142 CG PRO A 9 6.761 -4.995 -8.989 1.00 0.00 C ATOM 143 CD PRO A 9 7.103 -3.547 -9.186 1.00 0.00 C ATOM 0 HA PRO A 9 4.370 -4.239 -10.652 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.009 -4.904 -7.765 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.881 -6.006 -9.121 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.274 -5.403 -8.118 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.070 -5.590 -9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.322 -3.052 -8.240 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.980 -3.423 -9.821 1.00 0.00 H new ATOM 151 N SER A 10 2.712 -4.033 -8.351 1.00 0.00 N ATOM 152 CA SER A 10 1.534 -3.515 -7.659 1.00 0.00 C ATOM 153 C SER A 10 1.902 -2.351 -6.741 1.00 0.00 C ATOM 154 O SER A 10 2.215 -2.547 -5.567 1.00 0.00 O ATOM 155 CB SER A 10 0.869 -4.629 -6.848 1.00 0.00 C ATOM 156 OG SER A 10 1.621 -4.935 -5.687 1.00 0.00 O ATOM 0 H SER A 10 2.826 -5.045 -8.286 1.00 0.00 H new ATOM 0 HA SER A 10 0.834 -3.149 -8.410 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.138 -4.324 -6.563 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.768 -5.522 -7.465 1.00 0.00 H new ATOM 0 HG SER A 10 1.729 -4.126 -5.145 1.00 0.00 H new ATOM 162 N SER A 11 1.866 -1.139 -7.286 1.00 0.00 N ATOM 163 CA SER A 11 2.198 0.053 -6.517 1.00 0.00 C ATOM 164 C SER A 11 1.250 1.203 -6.839 1.00 0.00 C ATOM 165 O SER A 11 0.398 1.096 -7.722 1.00 0.00 O ATOM 166 CB SER A 11 3.644 0.477 -6.791 1.00 0.00 C ATOM 167 OG SER A 11 4.402 0.514 -5.594 1.00 0.00 O ATOM 0 H SER A 11 1.610 -0.958 -8.257 1.00 0.00 H new ATOM 0 HA SER A 11 2.089 -0.192 -5.460 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.103 -0.218 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.655 1.460 -7.262 1.00 0.00 H new ATOM 0 HG SER A 11 5.346 0.664 -5.809 1.00 0.00 H new ATOM 173 N PHE A 12 1.408 2.300 -6.109 1.00 0.00 N ATOM 174 CA PHE A 12 0.576 3.482 -6.297 1.00 0.00 C ATOM 175 C PHE A 12 1.379 4.749 -6.011 1.00 0.00 C ATOM 176 O PHE A 12 1.967 4.890 -4.942 1.00 0.00 O ATOM 177 CB PHE A 12 -0.648 3.411 -5.378 1.00 0.00 C ATOM 178 CG PHE A 12 -1.427 4.694 -5.292 1.00 0.00 C ATOM 179 CD1 PHE A 12 -2.030 5.232 -6.418 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.554 5.361 -4.084 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.747 6.411 -6.340 1.00 0.00 C ATOM 182 CE2 PHE A 12 -2.268 6.541 -4.000 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.866 7.067 -5.129 1.00 0.00 C ATOM 0 H PHE A 12 2.110 2.396 -5.376 1.00 0.00 H new ATOM 0 HA PHE A 12 0.239 3.513 -7.333 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.309 2.620 -5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.321 3.129 -4.377 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.939 4.724 -7.367 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.090 4.954 -3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.214 6.819 -7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.359 7.052 -3.053 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.425 7.989 -5.066 1.00 0.00 H new ATOM 193 N SER A 13 1.401 5.668 -6.969 1.00 0.00 N ATOM 194 CA SER A 13 2.134 6.917 -6.802 1.00 0.00 C ATOM 195 C SER A 13 1.433 7.822 -5.794 1.00 0.00 C ATOM 196 O SER A 13 0.328 8.302 -6.044 1.00 0.00 O ATOM 197 CB SER A 13 2.272 7.637 -8.143 1.00 0.00 C ATOM 198 OG SER A 13 3.248 8.662 -8.075 1.00 0.00 O ATOM 0 H SER A 13 0.923 5.573 -7.865 1.00 0.00 H new ATOM 0 HA SER A 13 3.129 6.680 -6.424 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.546 6.920 -8.917 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.311 8.064 -8.430 1.00 0.00 H new ATOM 0 HG SER A 13 3.318 9.106 -8.946 1.00 0.00 H new ATOM 204 N CYS A 14 2.078 8.049 -4.652 1.00 0.00 N ATOM 205 CA CYS A 14 1.508 8.893 -3.608 1.00 0.00 C ATOM 206 C CYS A 14 1.151 10.273 -4.161 1.00 0.00 C ATOM 207 O CYS A 14 2.031 11.079 -4.459 1.00 0.00 O ATOM 208 CB CYS A 14 2.483 9.029 -2.433 1.00 0.00 C ATOM 209 SG CYS A 14 2.128 7.928 -1.020 1.00 0.00 S ATOM 0 H CYS A 14 2.994 7.660 -4.428 1.00 0.00 H new ATOM 0 HA CYS A 14 0.595 8.418 -3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.493 8.826 -2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.470 10.062 -2.084 1.00 0.00 H new ATOM 214 N PRO A 15 -0.154 10.556 -4.310 1.00 0.00 N ATOM 215 CA PRO A 15 -0.636 11.839 -4.836 1.00 0.00 C ATOM 216 C PRO A 15 -0.046 13.035 -4.097 1.00 0.00 C ATOM 217 O PRO A 15 -0.070 13.092 -2.868 1.00 0.00 O ATOM 218 CB PRO A 15 -2.147 11.765 -4.616 1.00 0.00 C ATOM 219 CG PRO A 15 -2.453 10.309 -4.618 1.00 0.00 C ATOM 220 CD PRO A 15 -1.265 9.646 -3.981 1.00 0.00 C ATOM 0 HA PRO A 15 -0.348 11.985 -5.877 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.434 12.230 -3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.689 12.286 -5.406 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.365 10.099 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.609 9.943 -5.633 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.393 9.540 -2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.099 8.646 -4.382 1.00 0.00 H new ATOM 228 N GLY A 16 0.483 13.989 -4.857 1.00 0.00 N ATOM 229 CA GLY A 16 1.072 15.173 -4.260 1.00 0.00 C ATOM 230 C GLY A 16 2.564 15.028 -4.028 1.00 0.00 C ATOM 231 O GLY A 16 3.281 16.023 -3.927 1.00 0.00 O ATOM 0 H GLY A 16 0.514 13.963 -5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.890 16.031 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.579 15.380 -3.310 1.00 0.00 H new ATOM 235 N THR A 17 3.031 13.787 -3.940 1.00 0.00 N ATOM 236 CA THR A 17 4.445 13.517 -3.714 1.00 0.00 C ATOM 237 C THR A 17 4.995 12.556 -4.762 1.00 0.00 C ATOM 238 O THR A 17 4.339 11.584 -5.135 1.00 0.00 O ATOM 239 CB THR A 17 4.649 12.932 -2.316 1.00 0.00 C ATOM 240 OG1 THR A 17 3.766 11.846 -2.092 1.00 0.00 O ATOM 241 CG2 THR A 17 4.423 13.937 -1.210 1.00 0.00 C ATOM 0 H THR A 17 2.450 12.953 -4.022 1.00 0.00 H new ATOM 0 HA THR A 17 4.987 14.459 -3.796 1.00 0.00 H new ATOM 0 HB THR A 17 5.690 12.609 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.330 11.600 -2.934 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.584 13.458 -0.244 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.121 14.767 -1.324 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.401 14.313 -1.263 1.00 0.00 H new ATOM 249 N HIS A 18 6.208 12.831 -5.228 1.00 0.00 N ATOM 250 CA HIS A 18 6.856 11.988 -6.228 1.00 0.00 C ATOM 251 C HIS A 18 6.963 10.546 -5.739 1.00 0.00 C ATOM 252 O HIS A 18 7.104 9.617 -6.535 1.00 0.00 O ATOM 253 CB HIS A 18 8.249 12.531 -6.549 1.00 0.00 C ATOM 254 CG HIS A 18 9.078 12.795 -5.330 1.00 0.00 C ATOM 255 ND1 HIS A 18 9.997 11.907 -4.818 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.110 13.879 -4.513 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.545 12.464 -3.729 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.041 13.661 -3.502 1.00 0.00 N ATOM 0 H HIS A 18 6.764 13.632 -4.929 1.00 0.00 H new ATOM 0 HA HIS A 18 6.246 12.002 -7.131 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.771 11.818 -7.187 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.149 13.455 -7.119 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.509 14.769 -4.629 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.301 11.994 -3.117 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.284 14.296 -2.742 1.00 0.00 H new ATOM 266 N VAL A 19 6.899 10.369 -4.423 1.00 0.00 N ATOM 267 CA VAL A 19 6.991 9.049 -3.817 1.00 0.00 C ATOM 268 C VAL A 19 5.902 8.117 -4.343 1.00 0.00 C ATOM 269 O VAL A 19 4.840 8.565 -4.775 1.00 0.00 O ATOM 270 CB VAL A 19 6.881 9.145 -2.284 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.569 9.803 -1.880 1.00 0.00 C ATOM 272 CG2 VAL A 19 7.017 7.770 -1.648 1.00 0.00 C ATOM 0 H VAL A 19 6.783 11.130 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 19 7.964 8.637 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 19 7.698 9.768 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.511 9.861 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.521 10.808 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.734 9.212 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.936 7.861 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.225 7.118 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.987 7.344 -1.905 1.00 0.00 H new ATOM 282 N CYS A 20 6.175 6.816 -4.296 1.00 0.00 N ATOM 283 CA CYS A 20 5.222 5.814 -4.761 1.00 0.00 C ATOM 284 C CYS A 20 5.015 4.733 -3.705 1.00 0.00 C ATOM 285 O CYS A 20 5.940 3.993 -3.368 1.00 0.00 O ATOM 286 CB CYS A 20 5.700 5.185 -6.071 1.00 0.00 C ATOM 287 SG CYS A 20 7.479 4.795 -6.109 1.00 0.00 S ATOM 0 H CYS A 20 7.050 6.431 -3.940 1.00 0.00 H new ATOM 0 HA CYS A 20 4.269 6.311 -4.939 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.135 4.270 -6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.471 5.865 -6.892 1.00 0.00 H new ATOM 292 N VAL A 21 3.796 4.656 -3.182 1.00 0.00 N ATOM 293 CA VAL A 21 3.459 3.674 -2.158 1.00 0.00 C ATOM 294 C VAL A 21 2.872 2.402 -2.774 1.00 0.00 C ATOM 295 O VAL A 21 1.973 2.468 -3.612 1.00 0.00 O ATOM 296 CB VAL A 21 2.452 4.250 -1.145 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.164 4.660 -1.842 1.00 0.00 C ATOM 298 CG2 VAL A 21 2.172 3.246 -0.042 1.00 0.00 C ATOM 0 H VAL A 21 3.023 5.264 -3.452 1.00 0.00 H new ATOM 0 HA VAL A 21 4.387 3.425 -1.643 1.00 0.00 H new ATOM 0 HB VAL A 21 2.891 5.140 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.466 5.064 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.382 5.420 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.719 3.790 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.458 3.671 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.756 2.336 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.100 3.009 0.478 1.00 0.00 H new ATOM 308 N PRO A 22 3.373 1.223 -2.361 1.00 0.00 N ATOM 309 CA PRO A 22 2.895 -0.068 -2.873 1.00 0.00 C ATOM 310 C PRO A 22 1.399 -0.268 -2.666 1.00 0.00 C ATOM 311 O PRO A 22 0.799 0.324 -1.768 1.00 0.00 O ATOM 312 CB PRO A 22 3.674 -1.096 -2.052 1.00 0.00 C ATOM 313 CG PRO A 22 4.880 -0.369 -1.576 1.00 0.00 C ATOM 314 CD PRO A 22 4.446 1.052 -1.366 1.00 0.00 C ATOM 0 HA PRO A 22 3.050 -0.147 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.080 -1.466 -1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.947 -1.961 -2.657 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.258 -0.803 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.686 -0.427 -2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.085 1.218 -0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.265 1.752 -1.531 1.00 0.00 H new ATOM 322 N GLU A 23 0.805 -1.118 -3.497 1.00 0.00 N ATOM 323 CA GLU A 23 -0.619 -1.410 -3.403 1.00 0.00 C ATOM 324 C GLU A 23 -0.944 -2.103 -2.084 1.00 0.00 C ATOM 325 O GLU A 23 -2.032 -1.940 -1.537 1.00 0.00 O ATOM 326 CB GLU A 23 -1.062 -2.284 -4.578 1.00 0.00 C ATOM 327 CG GLU A 23 -2.392 -1.863 -5.177 1.00 0.00 C ATOM 328 CD GLU A 23 -2.806 -2.733 -6.348 1.00 0.00 C ATOM 329 OE1 GLU A 23 -3.296 -3.857 -6.108 1.00 0.00 O ATOM 330 OE2 GLU A 23 -2.642 -2.291 -7.504 1.00 0.00 O ATOM 0 H GLU A 23 1.289 -1.617 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.162 -0.466 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.297 -2.252 -5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.134 -3.319 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.163 -1.906 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.326 -0.826 -5.505 1.00 0.00 H new ATOM 337 N ARG A 24 0.007 -2.873 -1.572 1.00 0.00 N ATOM 338 CA ARG A 24 -0.187 -3.578 -0.311 1.00 0.00 C ATOM 339 C ARG A 24 -0.333 -2.588 0.834 1.00 0.00 C ATOM 340 O ARG A 24 -1.043 -2.840 1.808 1.00 0.00 O ATOM 341 CB ARG A 24 0.995 -4.506 -0.031 1.00 0.00 C ATOM 342 CG ARG A 24 0.592 -5.899 0.402 1.00 0.00 C ATOM 343 CD ARG A 24 -0.381 -5.875 1.571 1.00 0.00 C ATOM 344 NE ARG A 24 0.308 -5.864 2.860 1.00 0.00 N ATOM 345 CZ ARG A 24 -0.273 -6.188 4.014 1.00 0.00 C ATOM 346 NH1 ARG A 24 -1.547 -6.556 4.043 1.00 0.00 N ATOM 347 NH2 ARG A 24 0.424 -6.148 5.141 1.00 0.00 N ATOM 0 H ARG A 24 0.917 -3.025 -2.008 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.098 -4.171 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.608 -4.579 -0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.618 -4.061 0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.136 -6.422 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.482 -6.463 0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.018 -4.994 1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.034 -6.746 1.517 1.00 0.00 H new ATOM 0 HE ARG A 24 1.291 -5.592 2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.087 -6.592 3.179 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.986 -6.803 4.930 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.405 -5.869 5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.021 -6.396 6.025 1.00 0.00 H new ATOM 361 N TRP A 25 0.355 -1.465 0.708 1.00 0.00 N ATOM 362 CA TRP A 25 0.324 -0.432 1.726 1.00 0.00 C ATOM 363 C TRP A 25 -0.982 0.355 1.658 1.00 0.00 C ATOM 364 O TRP A 25 -1.444 0.888 2.664 1.00 0.00 O ATOM 365 CB TRP A 25 1.530 0.496 1.546 1.00 0.00 C ATOM 366 CG TRP A 25 2.850 -0.214 1.672 1.00 0.00 C ATOM 367 CD1 TRP A 25 3.078 -1.554 1.525 1.00 0.00 C ATOM 368 CD2 TRP A 25 4.124 0.376 1.966 1.00 0.00 C ATOM 369 NE1 TRP A 25 4.411 -1.831 1.709 1.00 0.00 N ATOM 370 CE2 TRP A 25 5.073 -0.665 1.981 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.556 1.682 2.218 1.00 0.00 C ATOM 372 CZ2 TRP A 25 6.424 -0.441 2.236 1.00 0.00 C ATOM 373 CZ3 TRP A 25 5.898 1.901 2.472 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.817 0.845 2.479 1.00 0.00 C ATOM 0 H TRP A 25 0.945 -1.246 -0.095 1.00 0.00 H new ATOM 0 HA TRP A 25 0.378 -0.898 2.710 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.472 0.970 0.566 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.481 1.292 2.289 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.320 -2.289 1.297 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.838 -2.756 1.652 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.855 2.504 2.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.135 -1.254 2.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 6.243 2.905 2.669 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.858 1.051 2.681 1.00 0.00 H new ATOM 385 N LEU A 26 -1.579 0.411 0.467 1.00 0.00 N ATOM 386 CA LEU A 26 -2.838 1.128 0.260 1.00 0.00 C ATOM 387 C LEU A 26 -3.800 0.941 1.429 1.00 0.00 C ATOM 388 O LEU A 26 -3.941 1.822 2.274 1.00 0.00 O ATOM 389 CB LEU A 26 -3.494 0.671 -1.042 1.00 0.00 C ATOM 390 CG LEU A 26 -3.377 1.648 -2.216 1.00 0.00 C ATOM 391 CD1 LEU A 26 -2.023 2.342 -2.215 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.593 0.919 -3.530 1.00 0.00 C ATOM 0 H LEU A 26 -1.209 -0.034 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.605 2.191 0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.051 -0.280 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.551 0.485 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.149 2.409 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.966 3.030 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.899 2.897 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.232 1.597 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.507 1.625 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.841 0.138 -3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.586 0.470 -3.538 1.00 0.00 H new ATOM 404 N CYS A 27 -4.463 -0.205 1.468 1.00 0.00 N ATOM 405 CA CYS A 27 -5.420 -0.495 2.527 1.00 0.00 C ATOM 406 C CYS A 27 -4.770 -1.231 3.695 1.00 0.00 C ATOM 407 O CYS A 27 -5.404 -2.069 4.336 1.00 0.00 O ATOM 408 CB CYS A 27 -6.579 -1.319 1.975 1.00 0.00 C ATOM 409 SG CYS A 27 -7.313 -0.637 0.454 1.00 0.00 S ATOM 0 H CYS A 27 -4.356 -0.950 0.779 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.794 0.458 2.901 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.229 -2.332 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.354 -1.395 2.738 1.00 0.00 H new ATOM 414 N ASP A 28 -3.515 -0.904 3.983 1.00 0.00 N ATOM 415 CA ASP A 28 -2.811 -1.532 5.092 1.00 0.00 C ATOM 416 C ASP A 28 -3.346 -1.001 6.419 1.00 0.00 C ATOM 417 O ASP A 28 -3.257 -1.667 7.450 1.00 0.00 O ATOM 418 CB ASP A 28 -1.304 -1.281 4.984 1.00 0.00 C ATOM 419 CG ASP A 28 -0.933 0.168 5.230 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.832 1.032 5.159 1.00 0.00 O ATOM 421 OD2 ASP A 28 0.258 0.441 5.490 1.00 0.00 O ATOM 0 H ASP A 28 -2.969 -0.213 3.468 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.982 -2.608 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.782 -1.912 5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.961 -1.576 3.992 1.00 0.00 H new ATOM 426 N GLY A 29 -3.911 0.205 6.377 1.00 0.00 N ATOM 427 CA GLY A 29 -4.464 0.811 7.570 1.00 0.00 C ATOM 428 C GLY A 29 -3.563 1.878 8.160 1.00 0.00 C ATOM 429 O GLY A 29 -3.419 1.969 9.379 1.00 0.00 O ATOM 0 H GLY A 29 -3.994 0.772 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.433 1.251 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.640 0.037 8.317 1.00 0.00 H new ATOM 433 N ASP A 30 -2.955 2.687 7.299 1.00 0.00 N ATOM 434 CA ASP A 30 -2.065 3.751 7.756 1.00 0.00 C ATOM 435 C ASP A 30 -1.714 4.703 6.618 1.00 0.00 C ATOM 436 O ASP A 30 -0.982 4.343 5.702 1.00 0.00 O ATOM 437 CB ASP A 30 -0.786 3.155 8.347 1.00 0.00 C ATOM 438 CG ASP A 30 -0.893 2.924 9.842 1.00 0.00 C ATOM 439 OD1 ASP A 30 -0.815 3.912 10.602 1.00 0.00 O ATOM 440 OD2 ASP A 30 -1.054 1.755 10.252 1.00 0.00 O ATOM 0 H ASP A 30 -3.060 2.628 6.286 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.588 4.317 8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.566 2.210 7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.051 3.824 8.144 1.00 0.00 H new ATOM 445 N LYS A 31 -2.240 5.921 6.684 1.00 0.00 N ATOM 446 CA LYS A 31 -1.981 6.922 5.654 1.00 0.00 C ATOM 447 C LYS A 31 -0.487 7.140 5.452 1.00 0.00 C ATOM 448 O LYS A 31 0.129 7.971 6.119 1.00 0.00 O ATOM 449 CB LYS A 31 -2.660 8.240 6.017 1.00 0.00 C ATOM 450 CG LYS A 31 -4.172 8.127 6.101 1.00 0.00 C ATOM 451 CD LYS A 31 -4.817 9.466 6.410 1.00 0.00 C ATOM 452 CE LYS A 31 -6.134 9.636 5.669 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.305 9.462 6.571 1.00 0.00 N ATOM 0 H LYS A 31 -2.848 6.239 7.439 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.395 6.551 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.274 8.589 6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.399 8.993 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.562 7.744 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.441 7.406 6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.989 9.549 7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.136 10.271 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.170 10.626 5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.190 8.911 4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.183 9.586 6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.285 8.508 6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.266 10.170 7.331 1.00 0.00 H new ATOM 467 N ASP A 32 0.086 6.387 4.518 1.00 0.00 N ATOM 468 CA ASP A 32 1.506 6.496 4.214 1.00 0.00 C ATOM 469 C ASP A 32 1.776 7.729 3.361 1.00 0.00 C ATOM 470 O ASP A 32 2.830 8.355 3.470 1.00 0.00 O ATOM 471 CB ASP A 32 1.997 5.245 3.486 1.00 0.00 C ATOM 472 CG ASP A 32 2.631 4.240 4.429 1.00 0.00 C ATOM 473 OD1 ASP A 32 2.991 4.632 5.559 1.00 0.00 O ATOM 474 OD2 ASP A 32 2.765 3.062 4.040 1.00 0.00 O ATOM 0 H ASP A 32 -0.413 5.695 3.959 1.00 0.00 H new ATOM 0 HA ASP A 32 2.048 6.591 5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.160 4.776 2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.722 5.532 2.724 1.00 0.00 H new ATOM 479 N CYS A 33 0.811 8.076 2.515 1.00 0.00 N ATOM 480 CA CYS A 33 0.940 9.237 1.647 1.00 0.00 C ATOM 481 C CYS A 33 0.841 10.520 2.459 1.00 0.00 C ATOM 482 O CYS A 33 0.751 10.487 3.686 1.00 0.00 O ATOM 483 CB CYS A 33 -0.151 9.225 0.572 1.00 0.00 C ATOM 484 SG CYS A 33 0.111 8.029 -0.782 1.00 0.00 S ATOM 0 H CYS A 33 -0.068 7.569 2.414 1.00 0.00 H new ATOM 0 HA CYS A 33 1.916 9.195 1.164 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.107 9.007 1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.229 10.224 0.144 1.00 0.00 H new ATOM 489 N ALA A 34 0.854 11.650 1.765 1.00 0.00 N ATOM 490 CA ALA A 34 0.761 12.945 2.417 1.00 0.00 C ATOM 491 C ALA A 34 -0.659 13.211 2.903 1.00 0.00 C ATOM 492 O ALA A 34 -0.865 13.894 3.906 1.00 0.00 O ATOM 493 CB ALA A 34 1.209 14.038 1.463 1.00 0.00 C ATOM 0 H ALA A 34 0.928 11.694 0.749 1.00 0.00 H new ATOM 0 HA ALA A 34 1.418 12.942 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.136 15.006 1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.242 13.860 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.570 14.034 0.580 1.00 0.00 H new ATOM 499 N ASP A 35 -1.638 12.670 2.182 1.00 0.00 N ATOM 500 CA ASP A 35 -3.041 12.854 2.539 1.00 0.00 C ATOM 501 C ASP A 35 -3.774 11.517 2.631 1.00 0.00 C ATOM 502 O ASP A 35 -4.966 11.436 2.337 1.00 0.00 O ATOM 503 CB ASP A 35 -3.732 13.756 1.515 1.00 0.00 C ATOM 504 CG ASP A 35 -3.527 15.229 1.810 1.00 0.00 C ATOM 505 OD1 ASP A 35 -2.449 15.586 2.330 1.00 0.00 O ATOM 506 OD2 ASP A 35 -4.445 16.025 1.520 1.00 0.00 O ATOM 0 H ASP A 35 -1.485 12.102 1.349 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.075 13.327 3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.349 13.531 0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.799 13.536 1.503 1.00 0.00 H new ATOM 511 N GLY A 36 -3.060 10.472 3.041 1.00 0.00 N ATOM 512 CA GLY A 36 -3.675 9.161 3.162 1.00 0.00 C ATOM 513 C GLY A 36 -4.233 8.652 1.851 1.00 0.00 C ATOM 514 O GLY A 36 -5.093 7.771 1.836 1.00 0.00 O ATOM 0 H GLY A 36 -2.072 10.509 3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.937 8.452 3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.477 9.207 3.899 1.00 0.00 H new ATOM 518 N ALA A 37 -3.740 9.197 0.746 1.00 0.00 N ATOM 519 CA ALA A 37 -4.192 8.783 -0.575 1.00 0.00 C ATOM 520 C ALA A 37 -4.024 7.280 -0.755 1.00 0.00 C ATOM 521 O ALA A 37 -4.845 6.623 -1.394 1.00 0.00 O ATOM 522 CB ALA A 37 -3.424 9.534 -1.648 1.00 0.00 C ATOM 0 H ALA A 37 -3.027 9.927 0.739 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.252 9.021 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.770 9.217 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.591 10.605 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.360 9.320 -1.551 1.00 0.00 H new ATOM 528 N ASP A 38 -2.955 6.743 -0.176 1.00 0.00 N ATOM 529 CA ASP A 38 -2.672 5.316 -0.258 1.00 0.00 C ATOM 530 C ASP A 38 -3.828 4.512 0.337 1.00 0.00 C ATOM 531 O ASP A 38 -4.243 3.499 -0.223 1.00 0.00 O ATOM 532 CB ASP A 38 -1.350 5.010 0.459 1.00 0.00 C ATOM 533 CG ASP A 38 -1.153 3.543 0.776 1.00 0.00 C ATOM 534 OD1 ASP A 38 -1.665 3.092 1.819 1.00 0.00 O ATOM 535 OD2 ASP A 38 -0.489 2.844 -0.015 1.00 0.00 O ATOM 0 H ASP A 38 -2.269 7.277 0.357 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.570 5.025 -1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.523 5.352 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.310 5.581 1.386 1.00 0.00 H new ATOM 540 N GLU A 39 -4.362 4.983 1.461 1.00 0.00 N ATOM 541 CA GLU A 39 -5.490 4.309 2.105 1.00 0.00 C ATOM 542 C GLU A 39 -6.810 4.810 1.530 1.00 0.00 C ATOM 543 O GLU A 39 -7.846 4.161 1.675 1.00 0.00 O ATOM 544 CB GLU A 39 -5.482 4.503 3.632 1.00 0.00 C ATOM 545 CG GLU A 39 -4.207 5.109 4.198 1.00 0.00 C ATOM 546 CD GLU A 39 -2.957 4.327 3.844 1.00 0.00 C ATOM 547 OE1 GLU A 39 -2.916 3.106 4.108 1.00 0.00 O ATOM 548 OE2 GLU A 39 -2.009 4.941 3.314 1.00 0.00 O ATOM 0 H GLU A 39 -4.037 5.821 1.943 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.385 3.243 1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.322 5.141 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.648 3.536 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.104 6.130 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.293 5.169 5.283 1.00 0.00 H new ATOM 555 N SER A 40 -6.768 5.965 0.873 1.00 0.00 N ATOM 556 CA SER A 40 -7.961 6.542 0.274 1.00 0.00 C ATOM 557 C SER A 40 -8.371 5.766 -0.968 1.00 0.00 C ATOM 558 O SER A 40 -7.688 4.829 -1.381 1.00 0.00 O ATOM 559 CB SER A 40 -7.725 8.010 -0.084 1.00 0.00 C ATOM 560 OG SER A 40 -7.295 8.751 1.046 1.00 0.00 O ATOM 0 H SER A 40 -5.920 6.517 0.743 1.00 0.00 H new ATOM 0 HA SER A 40 -8.767 6.482 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.977 8.079 -0.873 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.644 8.443 -0.478 1.00 0.00 H new ATOM 0 HG SER A 40 -6.600 8.249 1.521 1.00 0.00 H new ATOM 566 N ILE A 41 -9.486 6.166 -1.562 1.00 0.00 N ATOM 567 CA ILE A 41 -9.984 5.513 -2.760 1.00 0.00 C ATOM 568 C ILE A 41 -9.179 5.944 -3.980 1.00 0.00 C ATOM 569 O ILE A 41 -9.102 5.222 -4.974 1.00 0.00 O ATOM 570 CB ILE A 41 -11.474 5.820 -2.981 1.00 0.00 C ATOM 571 CG1 ILE A 41 -12.023 4.988 -4.136 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.683 7.303 -3.238 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.308 3.551 -3.760 1.00 0.00 C ATOM 0 H ILE A 41 -10.062 6.940 -1.232 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.871 4.438 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.020 5.553 -2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.941 5.449 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.308 5.005 -4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.744 7.500 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.329 7.874 -2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.126 7.600 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.696 3.018 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.388 3.074 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.046 3.524 -2.958 1.00 0.00 H new ATOM 585 N ALA A 42 -8.564 7.122 -3.889 1.00 0.00 N ATOM 586 CA ALA A 42 -7.746 7.645 -4.976 1.00 0.00 C ATOM 587 C ALA A 42 -6.713 6.612 -5.412 1.00 0.00 C ATOM 588 O ALA A 42 -6.297 6.579 -6.570 1.00 0.00 O ATOM 589 CB ALA A 42 -7.058 8.927 -4.538 1.00 0.00 C ATOM 0 H ALA A 42 -8.618 7.731 -3.072 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.393 7.864 -5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.449 9.311 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.809 9.668 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.422 8.723 -3.677 1.00 0.00 H new ATOM 595 N ALA A 43 -6.314 5.764 -4.469 1.00 0.00 N ATOM 596 CA ALA A 43 -5.339 4.717 -4.734 1.00 0.00 C ATOM 597 C ALA A 43 -6.029 3.442 -5.203 1.00 0.00 C ATOM 598 O ALA A 43 -5.429 2.612 -5.886 1.00 0.00 O ATOM 599 CB ALA A 43 -4.522 4.440 -3.484 1.00 0.00 C ATOM 0 H ALA A 43 -6.655 5.784 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.674 5.058 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.795 3.655 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.000 5.348 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.184 4.118 -2.680 1.00 0.00 H new ATOM 605 N GLY A 44 -7.295 3.296 -4.828 1.00 0.00 N ATOM 606 CA GLY A 44 -8.053 2.124 -5.210 1.00 0.00 C ATOM 607 C GLY A 44 -8.371 1.233 -4.028 1.00 0.00 C ATOM 608 O GLY A 44 -8.397 0.010 -4.154 1.00 0.00 O ATOM 0 H GLY A 44 -7.810 3.972 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.982 2.435 -5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.489 1.555 -5.949 1.00 0.00 H new ATOM 612 N CYS A 45 -8.618 1.848 -2.874 1.00 0.00 N ATOM 613 CA CYS A 45 -8.944 1.095 -1.668 1.00 0.00 C ATOM 614 C CYS A 45 -10.396 0.612 -1.704 1.00 0.00 C ATOM 615 O CYS A 45 -10.821 -0.175 -0.858 1.00 0.00 O ATOM 616 CB CYS A 45 -8.686 1.948 -0.420 1.00 0.00 C ATOM 617 SG CYS A 45 -8.338 0.994 1.097 1.00 0.00 S ATOM 0 H CYS A 45 -8.599 2.860 -2.750 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.299 0.218 -1.626 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.844 2.611 -0.617 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.555 2.581 -0.243 1.00 0.00 H new ATOM 622 N LEU A 46 -11.141 1.069 -2.710 1.00 0.00 N ATOM 623 CA LEU A 46 -12.535 0.672 -2.894 1.00 0.00 C ATOM 624 C LEU A 46 -13.438 1.126 -1.750 1.00 0.00 C ATOM 625 O LEU A 46 -14.543 0.606 -1.594 1.00 0.00 O ATOM 626 CB LEU A 46 -12.637 -0.847 -3.045 1.00 0.00 C ATOM 627 CG LEU A 46 -11.718 -1.483 -4.098 1.00 0.00 C ATOM 628 CD1 LEU A 46 -11.309 -0.470 -5.160 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.491 -2.095 -3.435 1.00 0.00 C ATOM 0 H LEU A 46 -10.797 1.720 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.881 1.167 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.420 -1.303 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.668 -1.099 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.275 -2.277 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.659 -0.951 -5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.199 -0.089 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.776 0.356 -4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.851 -2.541 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.938 -1.319 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.804 -2.863 -2.728 1.00 0.00 H new ATOM 641 N TYR A 47 -12.989 2.089 -0.951 1.00 0.00 N ATOM 642 CA TYR A 47 -13.810 2.571 0.158 1.00 0.00 C ATOM 643 C TYR A 47 -13.149 3.717 0.915 1.00 0.00 C ATOM 644 O TYR A 47 -13.831 4.631 1.378 1.00 0.00 O ATOM 645 CB TYR A 47 -14.118 1.423 1.119 1.00 0.00 C ATOM 646 CG TYR A 47 -12.891 0.673 1.586 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.991 1.254 2.471 1.00 0.00 C ATOM 648 CD2 TYR A 47 -12.633 -0.618 1.142 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.870 0.571 2.900 1.00 0.00 C ATOM 650 CE2 TYR A 47 -11.513 -1.307 1.567 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.637 -0.709 2.445 1.00 0.00 C ATOM 652 OH TYR A 47 -9.523 -1.394 2.872 1.00 0.00 O ATOM 0 H TYR A 47 -12.081 2.544 -1.045 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.736 2.955 -0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.643 1.820 1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.796 0.724 0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.171 2.257 2.829 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.318 -1.090 0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.180 1.037 3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.326 -2.310 1.212 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.255 -1.065 3.755 1.00 0.00 H new ATOM 662 N ASN A 48 -11.829 3.665 1.045 1.00 0.00 N ATOM 663 CA ASN A 48 -11.092 4.706 1.754 1.00 0.00 C ATOM 664 C ASN A 48 -11.406 4.692 3.247 1.00 0.00 C ATOM 665 O ASN A 48 -12.488 5.099 3.670 1.00 0.00 O ATOM 666 CB ASN A 48 -11.415 6.081 1.164 1.00 0.00 C ATOM 667 CG ASN A 48 -10.792 7.222 1.949 1.00 0.00 C ATOM 668 OD1 ASN A 48 -9.948 7.005 2.818 1.00 0.00 O ATOM 669 ND2 ASN A 48 -11.208 8.445 1.645 1.00 0.00 N ATOM 0 H ASN A 48 -11.247 2.916 0.670 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.028 4.503 1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.062 6.121 0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.497 6.214 1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.826 9.251 2.139 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.910 8.579 0.917 1.00 0.00 H new ATOM 676 N SER A 49 -10.440 4.239 4.040 1.00 0.00 N ATOM 677 CA SER A 49 -10.590 4.186 5.491 1.00 0.00 C ATOM 678 C SER A 49 -11.636 3.160 5.921 1.00 0.00 C ATOM 679 O SER A 49 -11.309 2.157 6.555 1.00 0.00 O ATOM 680 CB SER A 49 -10.963 5.568 6.034 1.00 0.00 C ATOM 681 OG SER A 49 -9.894 6.130 6.776 1.00 0.00 O ATOM 0 H SER A 49 -9.540 3.901 3.700 1.00 0.00 H new ATOM 0 HA SER A 49 -9.631 3.876 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.223 6.229 5.207 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.846 5.487 6.667 1.00 0.00 H new ATOM 0 HG SER A 49 -10.157 7.013 7.110 1.00 0.00 H new ATOM 687 N THR A 50 -12.897 3.430 5.585 1.00 0.00 N ATOM 688 CA THR A 50 -14.007 2.546 5.945 1.00 0.00 C ATOM 689 C THR A 50 -13.637 1.071 5.797 1.00 0.00 C ATOM 690 O THR A 50 -13.433 0.578 4.688 1.00 0.00 O ATOM 691 CB THR A 50 -15.230 2.863 5.085 1.00 0.00 C ATOM 692 OG1 THR A 50 -14.845 3.153 3.753 1.00 0.00 O ATOM 693 CG2 THR A 50 -16.031 4.041 5.597 1.00 0.00 C ATOM 0 H THR A 50 -13.177 4.259 5.061 1.00 0.00 H new ATOM 0 HA THR A 50 -14.239 2.725 6.995 1.00 0.00 H new ATOM 0 HB THR A 50 -15.855 1.971 5.130 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.520 4.076 3.700 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.885 4.213 4.942 1.00 0.00 H new ATOM 0 HG22 THR A 50 -16.385 3.829 6.606 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.401 4.930 5.613 1.00 0.00 H new ATOM 701 N GLY A 51 -13.558 0.373 6.927 1.00 0.00 N ATOM 702 CA GLY A 51 -13.219 -1.039 6.909 1.00 0.00 C ATOM 703 C GLY A 51 -11.756 -1.303 7.224 1.00 0.00 C ATOM 704 O GLY A 51 -11.302 -2.444 7.157 1.00 0.00 O ATOM 0 H GLY A 51 -13.723 0.761 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.841 -1.566 7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.454 -1.451 5.927 1.00 0.00 H new ATOM 708 N SER A 52 -11.019 -0.248 7.569 1.00 0.00 N ATOM 709 CA SER A 52 -9.600 -0.368 7.898 1.00 0.00 C ATOM 710 C SER A 52 -8.833 -1.124 6.809 1.00 0.00 C ATOM 711 O SER A 52 -8.307 -0.516 5.877 1.00 0.00 O ATOM 712 CB SER A 52 -9.422 -1.058 9.253 1.00 0.00 C ATOM 713 OG SER A 52 -10.337 -2.129 9.408 1.00 0.00 O ATOM 0 H SER A 52 -11.383 0.703 7.628 1.00 0.00 H new ATOM 0 HA SER A 52 -9.187 0.639 7.958 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.402 -1.432 9.342 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.567 -0.334 10.055 1.00 0.00 H new ATOM 0 HG SER A 52 -10.368 -2.655 8.582 1.00 0.00 H new ATOM 719 N GLY A 53 -8.772 -2.449 6.929 1.00 0.00 N ATOM 720 CA GLY A 53 -8.066 -3.251 5.946 1.00 0.00 C ATOM 721 C GLY A 53 -9.008 -4.000 5.025 1.00 0.00 C ATOM 722 O GLY A 53 -8.676 -5.075 4.525 1.00 0.00 O ATOM 0 H GLY A 53 -9.199 -2.979 7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.419 -2.606 5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.421 -3.964 6.459 1.00 0.00 H new ATOM 726 N SER A 54 -10.187 -3.430 4.802 1.00 0.00 N ATOM 727 CA SER A 54 -11.186 -4.046 3.938 1.00 0.00 C ATOM 728 C SER A 54 -12.401 -3.136 3.791 1.00 0.00 C ATOM 729 O SER A 54 -12.345 -1.956 4.134 1.00 0.00 O ATOM 730 CB SER A 54 -11.610 -5.404 4.500 1.00 0.00 C ATOM 731 OG SER A 54 -12.516 -6.058 3.629 1.00 0.00 O ATOM 0 H SER A 54 -10.474 -2.540 5.209 1.00 0.00 H new ATOM 0 HA SER A 54 -10.743 -4.196 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.730 -6.029 4.650 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.074 -5.268 5.477 1.00 0.00 H new ATOM 0 HG SER A 54 -12.227 -5.932 2.701 1.00 0.00 H new ATOM 737 N GLY A 55 -13.498 -3.687 3.283 1.00 0.00 N ATOM 738 CA GLY A 55 -14.704 -2.900 3.109 1.00 0.00 C ATOM 739 C GLY A 55 -15.661 -3.508 2.105 1.00 0.00 C ATOM 740 O GLY A 55 -16.603 -4.207 2.480 1.00 0.00 O ATOM 0 H GLY A 55 -13.573 -4.661 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.208 -2.799 4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.433 -1.895 2.784 1.00 0.00 H new ATOM 744 N SER A 56 -15.424 -3.239 0.825 1.00 0.00 N ATOM 745 CA SER A 56 -16.278 -3.760 -0.236 1.00 0.00 C ATOM 746 C SER A 56 -16.376 -5.283 -0.165 1.00 0.00 C ATOM 747 O SER A 56 -17.447 -5.854 -0.366 1.00 0.00 O ATOM 748 CB SER A 56 -15.747 -3.329 -1.606 1.00 0.00 C ATOM 749 OG SER A 56 -16.740 -2.641 -2.345 1.00 0.00 O ATOM 0 H SER A 56 -14.648 -2.664 0.498 1.00 0.00 H new ATOM 0 HA SER A 56 -17.277 -3.348 -0.097 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.876 -2.687 -1.476 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.417 -4.205 -2.163 1.00 0.00 H new ATOM 0 HG SER A 56 -16.375 -2.375 -3.215 1.00 0.00 H new ATOM 755 N GLY A 57 -15.252 -5.934 0.123 1.00 0.00 N ATOM 756 CA GLY A 57 -15.240 -7.383 0.215 1.00 0.00 C ATOM 757 C GLY A 57 -13.853 -7.972 0.037 1.00 0.00 C ATOM 758 O GLY A 57 -12.850 -7.276 0.192 1.00 0.00 O ATOM 0 H GLY A 57 -14.352 -5.485 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.636 -7.684 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.905 -7.796 -0.543 1.00 0.00 H new ATOM 762 N SER A 129 -13.799 -9.262 -0.288 1.00 0.00 N ATOM 763 CA SER A 129 -12.528 -9.952 -0.487 1.00 0.00 C ATOM 764 C SER A 129 -11.681 -9.249 -1.541 1.00 0.00 C ATOM 765 O SER A 129 -10.457 -9.187 -1.428 1.00 0.00 O ATOM 766 CB SER A 129 -12.772 -11.405 -0.901 1.00 0.00 C ATOM 767 OG SER A 129 -13.670 -12.044 -0.011 1.00 0.00 O ATOM 0 H SER A 129 -14.622 -9.850 -0.419 1.00 0.00 H new ATOM 0 HA SER A 129 -11.985 -9.934 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.175 -11.435 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 129 -11.826 -11.946 -0.918 1.00 0.00 H new ATOM 0 HG SER A 129 -13.811 -12.970 -0.298 1.00 0.00 H new ATOM 773 N THR A 130 -12.341 -8.716 -2.565 1.00 0.00 N ATOM 774 CA THR A 130 -11.648 -8.013 -3.640 1.00 0.00 C ATOM 775 C THR A 130 -10.660 -6.996 -3.079 1.00 0.00 C ATOM 776 O THR A 130 -9.550 -6.843 -3.589 1.00 0.00 O ATOM 777 CB THR A 130 -12.656 -7.303 -4.542 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.747 -8.155 -4.845 1.00 0.00 O ATOM 779 CG2 THR A 130 -12.057 -6.838 -5.849 1.00 0.00 C ATOM 0 H THR A 130 -13.354 -8.757 -2.673 1.00 0.00 H new ATOM 0 HA THR A 130 -11.096 -8.750 -4.223 1.00 0.00 H new ATOM 0 HB THR A 130 -12.986 -6.430 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 130 -14.382 -7.681 -5.422 1.00 0.00 H new ATOM 0 HG21 THR A 130 -12.823 -6.342 -6.444 1.00 0.00 H new ATOM 0 HG22 THR A 130 -11.244 -6.140 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 130 -11.671 -7.697 -6.398 1.00 0.00 H new ATOM 787 N GLU A 131 -11.077 -6.304 -2.027 1.00 0.00 N ATOM 788 CA GLU A 131 -10.240 -5.298 -1.388 1.00 0.00 C ATOM 789 C GLU A 131 -8.954 -5.920 -0.859 1.00 0.00 C ATOM 790 O GLU A 131 -7.874 -5.348 -0.999 1.00 0.00 O ATOM 791 CB GLU A 131 -11.011 -4.622 -0.256 1.00 0.00 C ATOM 792 CG GLU A 131 -12.033 -3.612 -0.747 1.00 0.00 C ATOM 793 CD GLU A 131 -12.937 -4.179 -1.825 1.00 0.00 C ATOM 794 OE1 GLU A 131 -13.469 -5.292 -1.628 1.00 0.00 O ATOM 795 OE2 GLU A 131 -13.112 -3.512 -2.866 1.00 0.00 O ATOM 0 H GLU A 131 -11.994 -6.422 -1.597 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.971 -4.547 -2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.518 -5.384 0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -10.305 -4.122 0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -12.641 -3.277 0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -11.515 -2.735 -1.136 1.00 0.00 H new ATOM 802 N GLU A 132 -9.075 -7.099 -0.264 1.00 0.00 N ATOM 803 CA GLU A 132 -7.915 -7.802 0.269 1.00 0.00 C ATOM 804 C GLU A 132 -7.166 -8.511 -0.852 1.00 0.00 C ATOM 805 O GLU A 132 -5.969 -8.764 -0.751 1.00 0.00 O ATOM 806 CB GLU A 132 -8.344 -8.814 1.333 1.00 0.00 C ATOM 807 CG GLU A 132 -9.396 -8.279 2.287 1.00 0.00 C ATOM 808 CD GLU A 132 -9.322 -8.921 3.659 1.00 0.00 C ATOM 809 OE1 GLU A 132 -8.404 -8.570 4.430 1.00 0.00 O ATOM 810 OE2 GLU A 132 -10.182 -9.774 3.962 1.00 0.00 O ATOM 0 H GLU A 132 -9.961 -7.588 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.251 -7.070 0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.732 -9.706 0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.469 -9.121 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.274 -7.201 2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -10.386 -8.450 1.863 1.00 0.00 H new ATOM 817 N LEU A 133 -7.884 -8.826 -1.923 1.00 0.00 N ATOM 818 CA LEU A 133 -7.296 -9.503 -3.069 1.00 0.00 C ATOM 819 C LEU A 133 -6.182 -8.662 -3.687 1.00 0.00 C ATOM 820 O LEU A 133 -5.157 -9.191 -4.116 1.00 0.00 O ATOM 821 CB LEU A 133 -8.378 -9.789 -4.112 1.00 0.00 C ATOM 822 CG LEU A 133 -8.944 -11.210 -4.100 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.300 -11.641 -2.682 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.161 -11.301 -5.013 1.00 0.00 C ATOM 0 H LEU A 133 -8.879 -8.622 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.863 -10.444 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.199 -9.088 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.967 -9.589 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.178 -11.889 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.700 -12.655 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.406 -11.615 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.048 -10.962 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.554 -12.318 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.929 -10.609 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.872 -11.042 -6.031 1.00 0.00 H new ATOM 836 N ARG A 134 -6.394 -7.351 -3.735 1.00 0.00 N ATOM 837 CA ARG A 134 -5.410 -6.437 -4.306 1.00 0.00 C ATOM 838 C ARG A 134 -4.312 -6.114 -3.298 1.00 0.00 C ATOM 839 O ARG A 134 -3.163 -5.876 -3.672 1.00 0.00 O ATOM 840 CB ARG A 134 -6.089 -5.145 -4.768 1.00 0.00 C ATOM 841 CG ARG A 134 -6.665 -4.318 -3.629 1.00 0.00 C ATOM 842 CD ARG A 134 -7.367 -3.069 -4.141 1.00 0.00 C ATOM 843 NE ARG A 134 -6.426 -2.098 -4.696 1.00 0.00 N ATOM 844 CZ ARG A 134 -6.028 -2.088 -5.967 1.00 0.00 C ATOM 845 NH1 ARG A 134 -6.475 -3.001 -6.821 1.00 0.00 N ATOM 846 NH2 ARG A 134 -5.177 -1.161 -6.386 1.00 0.00 N ATOM 0 H ARG A 134 -7.238 -6.897 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 134 -4.954 -6.929 -5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -5.366 -4.540 -5.315 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -6.889 -5.394 -5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.369 -4.924 -3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.865 -4.032 -2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.092 -3.349 -4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.925 -2.608 -3.326 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.051 -1.384 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -7.129 -3.718 -6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -6.165 -2.986 -7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -4.828 -0.457 -5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -4.871 -1.152 -7.359 1.00 0.00 H new ATOM 860 N VAL A 135 -4.673 -6.102 -2.019 1.00 0.00 N ATOM 861 CA VAL A 135 -3.718 -5.801 -0.960 1.00 0.00 C ATOM 862 C VAL A 135 -2.982 -7.060 -0.501 1.00 0.00 C ATOM 863 O VAL A 135 -1.768 -7.168 -0.649 1.00 0.00 O ATOM 864 CB VAL A 135 -4.421 -5.146 0.248 1.00 0.00 C ATOM 865 CG1 VAL A 135 -3.417 -4.770 1.327 1.00 0.00 C ATOM 866 CG2 VAL A 135 -5.212 -3.925 -0.198 1.00 0.00 C ATOM 0 H VAL A 135 -5.619 -6.297 -1.692 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.991 -5.101 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 135 -5.113 -5.873 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -3.940 -4.311 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.898 -5.665 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.693 -4.064 0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.702 -3.474 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.537 -3.200 -0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.965 -4.225 -0.927 1.00 0.00 H new ATOM 876 N ARG A 136 -3.727 -8.005 0.060 1.00 0.00 N ATOM 877 CA ARG A 136 -3.157 -9.259 0.552 1.00 0.00 C ATOM 878 C ARG A 136 -2.169 -9.875 -0.441 1.00 0.00 C ATOM 879 O ARG A 136 -1.046 -10.220 -0.076 1.00 0.00 O ATOM 880 CB ARG A 136 -4.277 -10.257 0.845 1.00 0.00 C ATOM 881 CG ARG A 136 -3.785 -11.575 1.420 1.00 0.00 C ATOM 882 CD ARG A 136 -4.295 -12.762 0.617 1.00 0.00 C ATOM 883 NE ARG A 136 -3.260 -13.323 -0.247 1.00 0.00 N ATOM 884 CZ ARG A 136 -3.514 -14.047 -1.336 1.00 0.00 C ATOM 885 NH1 ARG A 136 -4.765 -14.307 -1.694 1.00 0.00 N ATOM 886 NH2 ARG A 136 -2.512 -14.515 -2.068 1.00 0.00 N ATOM 0 H ARG A 136 -4.736 -7.928 0.187 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.608 -9.031 1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.980 -9.805 1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.826 -10.455 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -2.695 -11.584 1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -4.115 -11.667 2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -4.655 -13.533 1.298 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.145 -12.451 0.010 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.285 -13.150 -0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -5.540 -13.952 -1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.952 -14.862 -2.529 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.548 -14.320 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -2.705 -15.069 -2.902 1.00 0.00 H new ATOM 900 N LEU A 137 -2.599 -10.028 -1.689 1.00 0.00 N ATOM 901 CA LEU A 137 -1.760 -10.624 -2.729 1.00 0.00 C ATOM 902 C LEU A 137 -0.349 -10.032 -2.747 1.00 0.00 C ATOM 903 O LEU A 137 0.604 -10.697 -3.148 1.00 0.00 O ATOM 904 CB LEU A 137 -2.413 -10.446 -4.100 1.00 0.00 C ATOM 905 CG LEU A 137 -1.880 -11.371 -5.197 1.00 0.00 C ATOM 906 CD1 LEU A 137 -0.473 -10.961 -5.603 1.00 0.00 C ATOM 907 CD2 LEU A 137 -1.900 -12.820 -4.730 1.00 0.00 C ATOM 0 H LEU A 137 -3.526 -9.747 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 137 -1.669 -11.685 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.486 -10.609 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.276 -9.413 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 137 -2.529 -11.281 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -0.110 -11.630 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -0.486 -9.938 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 137 0.187 -11.021 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -1.518 -13.463 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -1.274 -12.925 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -2.923 -13.110 -4.489 1.00 0.00 H new ATOM 919 N ALA A 138 -0.216 -8.783 -2.326 1.00 0.00 N ATOM 920 CA ALA A 138 1.087 -8.124 -2.317 1.00 0.00 C ATOM 921 C ALA A 138 1.752 -8.178 -0.943 1.00 0.00 C ATOM 922 O ALA A 138 2.893 -7.743 -0.782 1.00 0.00 O ATOM 923 CB ALA A 138 0.940 -6.680 -2.769 1.00 0.00 C ATOM 0 H ALA A 138 -0.987 -8.207 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 138 1.732 -8.663 -3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 138 1.916 -6.195 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.532 -6.655 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.267 -6.154 -2.092 1.00 0.00 H new ATOM 929 N SER A 139 1.032 -8.690 0.052 1.00 0.00 N ATOM 930 CA SER A 139 1.553 -8.770 1.415 1.00 0.00 C ATOM 931 C SER A 139 2.698 -9.775 1.544 1.00 0.00 C ATOM 932 O SER A 139 3.323 -9.869 2.601 1.00 0.00 O ATOM 933 CB SER A 139 0.426 -9.118 2.387 1.00 0.00 C ATOM 934 OG SER A 139 0.935 -9.660 3.594 1.00 0.00 O ATOM 0 H SER A 139 0.086 -9.056 -0.059 1.00 0.00 H new ATOM 0 HA SER A 139 1.960 -7.790 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.158 -8.224 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.251 -9.834 1.921 1.00 0.00 H new ATOM 0 HG SER A 139 1.903 -9.511 3.637 1.00 0.00 H new ATOM 940 N HIS A 140 2.986 -10.516 0.478 1.00 0.00 N ATOM 941 CA HIS A 140 4.076 -11.489 0.516 1.00 0.00 C ATOM 942 C HIS A 140 5.365 -10.893 -0.048 1.00 0.00 C ATOM 943 O HIS A 140 6.406 -11.551 -0.057 1.00 0.00 O ATOM 944 CB HIS A 140 3.723 -12.778 -0.247 1.00 0.00 C ATOM 945 CG HIS A 140 2.369 -12.783 -0.889 1.00 0.00 C ATOM 946 ND1 HIS A 140 1.219 -12.347 -0.270 1.00 0.00 N ATOM 947 CD2 HIS A 140 1.994 -13.200 -2.125 1.00 0.00 C ATOM 948 CE1 HIS A 140 0.204 -12.510 -1.129 1.00 0.00 C ATOM 949 NE2 HIS A 140 0.622 -13.026 -2.269 1.00 0.00 N ATOM 0 H HIS A 140 2.489 -10.464 -0.411 1.00 0.00 H new ATOM 0 HA HIS A 140 4.231 -11.746 1.564 1.00 0.00 H new ATOM 0 HB2 HIS A 140 4.475 -12.943 -1.019 1.00 0.00 H new ATOM 0 HB3 HIS A 140 3.784 -13.619 0.443 1.00 0.00 H new ATOM 0 HD1 HIS A 140 1.152 -11.967 0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 140 2.656 -13.603 -2.877 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -0.823 -12.252 -0.916 1.00 0.00 H new ATOM 957 N LEU A 141 5.298 -9.648 -0.518 1.00 0.00 N ATOM 958 CA LEU A 141 6.472 -8.987 -1.076 1.00 0.00 C ATOM 959 C LEU A 141 6.594 -7.548 -0.582 1.00 0.00 C ATOM 960 O LEU A 141 7.524 -7.211 0.148 1.00 0.00 O ATOM 961 CB LEU A 141 6.417 -8.998 -2.603 1.00 0.00 C ATOM 962 CG LEU A 141 7.556 -8.235 -3.286 1.00 0.00 C ATOM 963 CD1 LEU A 141 8.559 -9.203 -3.891 1.00 0.00 C ATOM 964 CD2 LEU A 141 7.009 -7.288 -4.343 1.00 0.00 C ATOM 0 H LEU A 141 4.449 -9.082 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 141 7.348 -9.542 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 141 6.432 -10.032 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.467 -8.570 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 141 8.072 -7.639 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 141 9.361 -8.643 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 141 8.977 -9.832 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 141 8.060 -9.829 -4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 141 7.834 -6.756 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 141 6.465 -7.858 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.335 -6.570 -3.875 1.00 0.00 H new ATOM 976 N ARG A 142 5.661 -6.700 -1.004 1.00 0.00 N ATOM 977 CA ARG A 142 5.672 -5.288 -0.622 1.00 0.00 C ATOM 978 C ARG A 142 5.951 -5.107 0.870 1.00 0.00 C ATOM 979 O ARG A 142 6.839 -4.347 1.254 1.00 0.00 O ATOM 980 CB ARG A 142 4.339 -4.628 -0.984 1.00 0.00 C ATOM 981 CG ARG A 142 4.112 -4.466 -2.481 1.00 0.00 C ATOM 982 CD ARG A 142 5.322 -3.867 -3.182 1.00 0.00 C ATOM 983 NE ARG A 142 4.942 -3.150 -4.397 1.00 0.00 N ATOM 984 CZ ARG A 142 5.768 -2.919 -5.416 1.00 0.00 C ATOM 985 NH1 ARG A 142 7.022 -3.351 -5.377 1.00 0.00 N ATOM 986 NH2 ARG A 142 5.334 -2.256 -6.479 1.00 0.00 N ATOM 0 H ARG A 142 4.886 -6.965 -1.612 1.00 0.00 H new ATOM 0 HA ARG A 142 6.478 -4.807 -1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.526 -5.222 -0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 142 4.292 -3.647 -0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.884 -5.437 -2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 142 3.244 -3.828 -2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 142 5.836 -3.186 -2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 142 6.027 -4.660 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 142 3.985 -2.805 -4.469 1.00 0.00 H new ATOM 0 HH11 ARG A 142 7.360 -3.864 -4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 142 7.648 -3.170 -6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 142 4.370 -1.924 -6.515 1.00 0.00 H new ATOM 0 HH22 ARG A 142 5.964 -2.077 -7.261 1.00 0.00 H new ATOM 1000 N LYS A 143 5.187 -5.804 1.706 1.00 0.00 N ATOM 1001 CA LYS A 143 5.359 -5.708 3.153 1.00 0.00 C ATOM 1002 C LYS A 143 6.265 -6.818 3.677 1.00 0.00 C ATOM 1003 O LYS A 143 6.942 -6.651 4.692 1.00 0.00 O ATOM 1004 CB LYS A 143 4.002 -5.763 3.856 1.00 0.00 C ATOM 1005 CG LYS A 143 3.769 -4.600 4.805 1.00 0.00 C ATOM 1006 CD LYS A 143 3.302 -3.360 4.059 1.00 0.00 C ATOM 1007 CE LYS A 143 1.824 -3.092 4.290 1.00 0.00 C ATOM 1008 NZ LYS A 143 1.583 -2.339 5.553 1.00 0.00 N ATOM 0 H LYS A 143 4.446 -6.439 1.409 1.00 0.00 H new ATOM 0 HA LYS A 143 5.834 -4.751 3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.212 -5.774 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 143 3.926 -6.697 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 143 3.024 -4.880 5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 143 4.690 -4.377 5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 143 3.884 -2.498 4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 143 3.487 -3.485 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 143 1.422 -2.527 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 143 1.285 -4.039 4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 0.860 -2.830 6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 2.467 -2.282 6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 1.253 -1.379 5.327 1.00 0.00 H new ATOM 1022 N LEU A 144 6.271 -7.951 2.984 1.00 0.00 N ATOM 1023 CA LEU A 144 7.094 -9.087 3.386 1.00 0.00 C ATOM 1024 C LEU A 144 8.421 -9.101 2.630 1.00 0.00 C ATOM 1025 O LEU A 144 9.048 -10.149 2.480 1.00 0.00 O ATOM 1026 CB LEU A 144 6.339 -10.397 3.150 1.00 0.00 C ATOM 1027 CG LEU A 144 5.569 -10.923 4.362 1.00 0.00 C ATOM 1028 CD1 LEU A 144 4.700 -12.109 3.972 1.00 0.00 C ATOM 1029 CD2 LEU A 144 6.530 -11.307 5.476 1.00 0.00 C ATOM 0 H LEU A 144 5.716 -8.108 2.142 1.00 0.00 H new ATOM 0 HA LEU A 144 7.311 -8.987 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.639 -10.253 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 144 7.052 -11.158 2.832 1.00 0.00 H new ATOM 0 HG LEU A 144 4.918 -10.129 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 144 4.160 -12.468 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 144 3.987 -11.801 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.329 -12.908 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.966 -11.679 6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.206 -12.085 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 144 7.108 -10.433 5.776 1.00 0.00 H new ATOM 1041 N ARG A 145 8.843 -7.932 2.155 1.00 0.00 N ATOM 1042 CA ARG A 145 10.094 -7.812 1.416 1.00 0.00 C ATOM 1043 C ARG A 145 10.394 -6.355 1.081 1.00 0.00 C ATOM 1044 O ARG A 145 10.004 -5.857 0.024 1.00 0.00 O ATOM 1045 CB ARG A 145 10.039 -8.643 0.133 1.00 0.00 C ATOM 1046 CG ARG A 145 11.139 -9.687 0.052 1.00 0.00 C ATOM 1047 CD ARG A 145 12.262 -9.250 -0.874 1.00 0.00 C ATOM 1048 NE ARG A 145 12.448 -10.178 -1.987 1.00 0.00 N ATOM 1049 CZ ARG A 145 12.936 -11.409 -1.852 1.00 0.00 C ATOM 1050 NH1 ARG A 145 13.288 -11.863 -0.655 1.00 0.00 N ATOM 1051 NH2 ARG A 145 13.072 -12.188 -2.916 1.00 0.00 N ATOM 0 H ARG A 145 8.336 -7.055 2.269 1.00 0.00 H new ATOM 0 HA ARG A 145 10.895 -8.191 2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 145 9.070 -9.139 0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 145 10.114 -7.978 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 145 11.540 -9.871 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 145 10.721 -10.629 -0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 145 12.044 -8.256 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 145 13.190 -9.174 -0.307 1.00 0.00 H new ATOM 0 HE ARG A 145 12.189 -9.864 -2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 145 13.185 -11.268 0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 145 13.661 -12.807 -0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 145 12.803 -11.844 -3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 145 13.446 -13.131 -2.813 1.00 0.00 H new ATOM 1065 N LYS A 146 11.093 -5.677 1.985 1.00 0.00 N ATOM 1066 CA LYS A 146 11.449 -4.278 1.781 1.00 0.00 C ATOM 1067 C LYS A 146 12.852 -3.987 2.317 1.00 0.00 C ATOM 1068 O LYS A 146 13.827 -4.032 1.567 1.00 0.00 O ATOM 1069 CB LYS A 146 10.413 -3.361 2.437 1.00 0.00 C ATOM 1070 CG LYS A 146 10.683 -1.883 2.210 1.00 0.00 C ATOM 1071 CD LYS A 146 10.621 -1.528 0.731 1.00 0.00 C ATOM 1072 CE LYS A 146 11.974 -1.075 0.203 1.00 0.00 C ATOM 1073 NZ LYS A 146 12.444 -1.926 -0.924 1.00 0.00 N ATOM 0 H LYS A 146 11.424 -6.073 2.865 1.00 0.00 H new ATOM 0 HA LYS A 146 11.453 -4.079 0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 146 9.425 -3.606 2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 146 10.392 -3.558 3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 146 9.952 -1.289 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 146 11.665 -1.626 2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 146 10.280 -2.394 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 146 9.887 -0.737 0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 146 11.906 -0.039 -0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 146 12.707 -1.104 1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 13.279 -1.489 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 12.696 -2.869 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 11.686 -2.015 -1.631 1.00 0.00 H new ATOM 1087 N ARG A 147 12.955 -3.699 3.615 1.00 0.00 N ATOM 1088 CA ARG A 147 14.244 -3.411 4.239 1.00 0.00 C ATOM 1089 C ARG A 147 14.065 -3.057 5.713 1.00 0.00 C ATOM 1090 O ARG A 147 14.728 -2.159 6.231 1.00 0.00 O ATOM 1091 CB ARG A 147 14.951 -2.262 3.514 1.00 0.00 C ATOM 1092 CG ARG A 147 16.469 -2.359 3.553 1.00 0.00 C ATOM 1093 CD ARG A 147 16.966 -3.638 2.899 1.00 0.00 C ATOM 1094 NE ARG A 147 18.420 -3.651 2.754 1.00 0.00 N ATOM 1095 CZ ARG A 147 19.261 -3.962 3.738 1.00 0.00 C ATOM 1096 NH1 ARG A 147 18.799 -4.280 4.941 1.00 0.00 N ATOM 1097 NH2 ARG A 147 20.569 -3.954 3.519 1.00 0.00 N ATOM 0 H ARG A 147 12.161 -3.659 4.253 1.00 0.00 H new ATOM 0 HA ARG A 147 14.859 -4.308 4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 147 14.623 -2.243 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 147 14.644 -1.317 3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 147 16.902 -1.498 3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 147 16.810 -2.323 4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 147 16.654 -4.495 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 147 16.503 -3.747 1.918 1.00 0.00 H new ATOM 0 HE ARG A 147 18.814 -3.407 1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 147 17.794 -4.287 5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 147 19.449 -4.517 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 147 20.930 -3.710 2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 147 21.214 -4.192 4.273 1.00 0.00 H new ATOM 1111 N LEU A 148 13.164 -3.768 6.383 1.00 0.00 N ATOM 1112 CA LEU A 148 12.898 -3.526 7.797 1.00 0.00 C ATOM 1113 C LEU A 148 13.253 -4.750 8.635 1.00 0.00 C ATOM 1114 O LEU A 148 13.986 -4.650 9.618 1.00 0.00 O ATOM 1115 CB LEU A 148 11.427 -3.159 8.006 1.00 0.00 C ATOM 1116 CG LEU A 148 10.949 -1.928 7.233 1.00 0.00 C ATOM 1117 CD1 LEU A 148 11.873 -0.747 7.482 1.00 0.00 C ATOM 1118 CD2 LEU A 148 10.861 -2.235 5.745 1.00 0.00 C ATOM 0 H LEU A 148 12.606 -4.516 5.970 1.00 0.00 H new ATOM 0 HA LEU A 148 13.522 -2.693 8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.812 -4.011 7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 148 11.259 -2.989 9.069 1.00 0.00 H new ATOM 0 HG LEU A 148 9.953 -1.663 7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 148 11.516 0.118 6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 148 11.885 -0.512 8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 148 12.882 -0.999 7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 148 10.520 -1.349 5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 148 11.844 -2.526 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 148 10.156 -3.051 5.583 1.00 0.00 H new ATOM 1130 N LEU A 149 12.727 -5.903 8.238 1.00 0.00 N ATOM 1131 CA LEU A 149 12.987 -7.147 8.952 1.00 0.00 C ATOM 1132 C LEU A 149 14.480 -7.458 8.979 1.00 0.00 C ATOM 1133 O LEU A 149 15.108 -7.249 10.039 1.00 0.00 O ATOM 1134 CB LEU A 149 12.226 -8.302 8.298 1.00 0.00 C ATOM 1135 CG LEU A 149 10.721 -8.075 8.137 1.00 0.00 C ATOM 1136 CD1 LEU A 149 10.396 -7.617 6.722 1.00 0.00 C ATOM 1137 CD2 LEU A 149 9.951 -9.343 8.478 1.00 0.00 C ATOM 1138 OXT LEU A 149 15.009 -7.907 7.941 1.00 0.00 O ATOM 0 H LEU A 149 12.118 -6.002 7.426 1.00 0.00 H new ATOM 0 HA LEU A 149 12.641 -7.027 9.979 1.00 0.00 H new ATOM 0 HB2 LEU A 149 12.657 -8.491 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 149 12.381 -9.202 8.892 1.00 0.00 H new ATOM 0 HG LEU A 149 10.417 -7.290 8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.321 -7.461 6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 149 10.918 -6.683 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 149 10.716 -8.378 6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 149 8.883 -9.163 8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 149 10.261 -10.147 7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 149 10.157 -9.628 9.510 1.00 0.00 H new TER 1150 LEU A 149 HETATM 1151 CA CA A 81 0.043 2.705 3.901 1.00 0.33 CA