USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 737 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 17 ASN : amide:sc= -2.4 K(o=-2.4,f=-9.2!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 30 CYS SG : rot -146:sc= 0.303 USER MOD Set 3.2: A 79 CYS SG : rot 91:sc= 1.78 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 27 MET CE :methyl -135:sc= -0.599 (180deg=-1.18) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -144:sc= -0.0193 (180deg=-0.597) USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= 0.57 (180deg=0.279) USER MOD Single : A 46 ASN : amide:sc= 0.689 K(o=0.69,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.585! C(o=-0.59!,f=-2.1!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0621 USER MOD Single : A 62 CYS SG : rot -120:sc= -0.974 USER MOD Single : A 65 GLN : amide:sc=-0.00877 K(o=-0.0088,f=-1.6!) USER MOD Single : A 71 MET CE :methyl 150:sc= -0.124 (180deg=-1.09) USER MOD Single : A 77 TYR OH : rot -12:sc= 0.118 USER MOD Single : A 81 CYS SG : rot -46:sc= 0.576 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 25:sc= 0.109! USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.556 23.427 12.426 1.00 0.00 N ATOM 2 CA GLY A 1 3.398 24.010 11.398 1.00 0.00 C ATOM 3 C GLY A 1 2.611 24.843 10.406 1.00 0.00 C ATOM 4 O GLY A 1 2.411 24.434 9.262 1.00 0.00 O ATOM 0 H1 GLY A 1 3.142 22.868 13.078 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.077 24.185 12.953 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.845 22.810 11.984 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.160 24.633 11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.920 23.215 10.866 1.00 0.00 H new ATOM 8 N SER A 2 2.160 26.013 10.845 1.00 0.00 N ATOM 9 CA SER A 2 1.384 26.903 9.989 1.00 0.00 C ATOM 10 C SER A 2 2.220 27.385 8.807 1.00 0.00 C ATOM 11 O SER A 2 1.760 27.383 7.665 1.00 0.00 O ATOM 12 CB SER A 2 0.876 28.103 10.791 1.00 0.00 C ATOM 13 OG SER A 2 0.187 27.682 11.956 1.00 0.00 O ATOM 0 H SER A 2 2.318 26.367 11.788 1.00 0.00 H new ATOM 0 HA SER A 2 0.531 26.344 9.605 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.716 28.739 11.071 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.213 28.705 10.170 1.00 0.00 H new ATOM 0 HG SER A 2 -0.126 28.467 12.452 1.00 0.00 H new ATOM 19 N SER A 3 3.451 27.798 9.090 1.00 0.00 N ATOM 20 CA SER A 3 4.351 28.287 8.053 1.00 0.00 C ATOM 21 C SER A 3 5.544 27.350 7.882 1.00 0.00 C ATOM 22 O SER A 3 6.303 27.117 8.821 1.00 0.00 O ATOM 23 CB SER A 3 4.840 29.696 8.394 1.00 0.00 C ATOM 24 OG SER A 3 5.430 30.319 7.266 1.00 0.00 O ATOM 0 H SER A 3 3.848 27.804 10.030 1.00 0.00 H new ATOM 0 HA SER A 3 3.799 28.319 7.114 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.004 30.298 8.750 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.565 29.646 9.206 1.00 0.00 H new ATOM 0 HG SER A 3 5.733 31.219 7.510 1.00 0.00 H new ATOM 30 N GLY A 4 5.700 26.815 6.675 1.00 0.00 N ATOM 31 CA GLY A 4 6.801 25.910 6.402 1.00 0.00 C ATOM 32 C GLY A 4 6.520 24.993 5.228 1.00 0.00 C ATOM 33 O GLY A 4 6.284 25.457 4.113 1.00 0.00 O ATOM 0 H GLY A 4 5.084 26.992 5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.702 26.489 6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.002 25.309 7.289 1.00 0.00 H new ATOM 37 N SER A 5 6.548 23.688 5.478 1.00 0.00 N ATOM 38 CA SER A 5 6.300 22.704 4.431 1.00 0.00 C ATOM 39 C SER A 5 4.842 22.742 3.984 1.00 0.00 C ATOM 40 O SER A 5 3.967 22.169 4.633 1.00 0.00 O ATOM 41 CB SER A 5 6.657 21.301 4.926 1.00 0.00 C ATOM 42 OG SER A 5 7.989 21.253 5.407 1.00 0.00 O ATOM 0 H SER A 5 6.740 23.288 6.396 1.00 0.00 H new ATOM 0 HA SER A 5 6.930 22.952 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.970 21.006 5.719 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.534 20.584 4.115 1.00 0.00 H new ATOM 0 HG SER A 5 8.192 20.346 5.719 1.00 0.00 H new ATOM 48 N SER A 6 4.589 23.422 2.870 1.00 0.00 N ATOM 49 CA SER A 6 3.237 23.539 2.337 1.00 0.00 C ATOM 50 C SER A 6 3.196 23.133 0.867 1.00 0.00 C ATOM 51 O SER A 6 4.147 23.360 0.121 1.00 0.00 O ATOM 52 CB SER A 6 2.726 24.973 2.496 1.00 0.00 C ATOM 53 OG SER A 6 1.359 25.069 2.136 1.00 0.00 O ATOM 0 H SER A 6 5.302 23.900 2.319 1.00 0.00 H new ATOM 0 HA SER A 6 2.591 22.866 2.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.857 25.297 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.317 25.644 1.874 1.00 0.00 H new ATOM 0 HG SER A 6 1.055 25.994 2.248 1.00 0.00 H new ATOM 59 N GLY A 7 2.084 22.528 0.458 1.00 0.00 N ATOM 60 CA GLY A 7 1.938 22.099 -0.921 1.00 0.00 C ATOM 61 C GLY A 7 1.450 20.668 -1.033 1.00 0.00 C ATOM 62 O GLY A 7 0.853 20.118 -0.108 1.00 0.00 O ATOM 0 H GLY A 7 1.283 22.328 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.238 22.760 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.896 22.194 -1.432 1.00 0.00 H new ATOM 66 N PRO A 8 1.705 20.041 -2.192 1.00 0.00 N ATOM 67 CA PRO A 8 1.295 18.658 -2.450 1.00 0.00 C ATOM 68 C PRO A 8 2.087 17.654 -1.620 1.00 0.00 C ATOM 69 O PRO A 8 2.984 18.029 -0.865 1.00 0.00 O ATOM 70 CB PRO A 8 1.592 18.472 -3.940 1.00 0.00 C ATOM 71 CG PRO A 8 2.670 19.457 -4.237 1.00 0.00 C ATOM 72 CD PRO A 8 2.413 20.635 -3.338 1.00 0.00 C ATOM 0 HA PRO A 8 0.252 18.486 -2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.916 17.454 -4.155 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.706 18.660 -4.547 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.654 19.028 -4.047 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.649 19.754 -5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.342 21.116 -3.031 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.809 21.395 -3.834 1.00 0.00 H new ATOM 80 N ALA A 9 1.751 16.376 -1.765 1.00 0.00 N ATOM 81 CA ALA A 9 2.433 15.318 -1.030 1.00 0.00 C ATOM 82 C ALA A 9 3.503 14.655 -1.890 1.00 0.00 C ATOM 83 O ALA A 9 3.381 14.591 -3.113 1.00 0.00 O ATOM 84 CB ALA A 9 1.430 14.284 -0.542 1.00 0.00 C ATOM 0 H ALA A 9 1.010 16.049 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 9 2.924 15.767 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.953 13.500 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.704 14.763 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.913 13.847 -1.396 1.00 0.00 H new ATOM 90 N LYS A 10 4.554 14.163 -1.243 1.00 0.00 N ATOM 91 CA LYS A 10 5.648 13.504 -1.947 1.00 0.00 C ATOM 92 C LYS A 10 6.050 12.213 -1.241 1.00 0.00 C ATOM 93 O LYS A 10 5.971 12.113 -0.016 1.00 0.00 O ATOM 94 CB LYS A 10 6.854 14.439 -2.049 1.00 0.00 C ATOM 95 CG LYS A 10 6.673 15.558 -3.060 1.00 0.00 C ATOM 96 CD LYS A 10 7.143 15.142 -4.443 1.00 0.00 C ATOM 97 CE LYS A 10 6.796 16.190 -5.489 1.00 0.00 C ATOM 98 NZ LYS A 10 7.878 17.202 -5.640 1.00 0.00 N ATOM 0 H LYS A 10 4.671 14.208 -0.231 1.00 0.00 H new ATOM 0 HA LYS A 10 5.303 13.256 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.049 14.874 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.734 13.855 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.622 15.844 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.230 16.437 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.221 14.983 -4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.684 14.191 -4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.619 15.702 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.868 16.689 -5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.604 17.899 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.030 17.686 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.757 16.729 -5.932 1.00 0.00 H new ATOM 112 N PHE A 11 6.483 11.227 -2.020 1.00 0.00 N ATOM 113 CA PHE A 11 6.898 9.943 -1.469 1.00 0.00 C ATOM 114 C PHE A 11 8.330 10.013 -0.946 1.00 0.00 C ATOM 115 O PHE A 11 9.277 10.185 -1.714 1.00 0.00 O ATOM 116 CB PHE A 11 6.784 8.847 -2.531 1.00 0.00 C ATOM 117 CG PHE A 11 5.367 8.500 -2.884 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.608 7.694 -2.051 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.792 8.979 -4.051 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.303 7.372 -2.373 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.488 8.661 -4.378 1.00 0.00 C ATOM 122 CZ PHE A 11 2.743 7.856 -3.538 1.00 0.00 C ATOM 0 H PHE A 11 6.555 11.293 -3.035 1.00 0.00 H new ATOM 0 HA PHE A 11 6.237 9.703 -0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.306 9.170 -3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.291 7.951 -2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.042 7.312 -1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.370 9.608 -4.712 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.723 6.743 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.051 9.041 -5.290 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.724 7.606 -3.793 1.00 0.00 H new ATOM 132 N THR A 12 8.481 9.880 0.369 1.00 0.00 N ATOM 133 CA THR A 12 9.795 9.929 0.996 1.00 0.00 C ATOM 134 C THR A 12 10.510 8.588 0.881 1.00 0.00 C ATOM 135 O THR A 12 11.710 8.536 0.612 1.00 0.00 O ATOM 136 CB THR A 12 9.693 10.319 2.483 1.00 0.00 C ATOM 137 OG1 THR A 12 8.960 9.320 3.202 1.00 0.00 O ATOM 138 CG2 THR A 12 9.012 11.669 2.644 1.00 0.00 C ATOM 0 H THR A 12 7.708 9.738 1.020 1.00 0.00 H new ATOM 0 HA THR A 12 10.370 10.689 0.467 1.00 0.00 H new ATOM 0 HB THR A 12 10.703 10.390 2.887 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.901 9.574 4.147 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.952 11.922 3.702 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.588 12.432 2.121 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.007 11.622 2.225 1.00 0.00 H new ATOM 146 N GLU A 13 9.766 7.506 1.086 1.00 0.00 N ATOM 147 CA GLU A 13 10.331 6.164 1.006 1.00 0.00 C ATOM 148 C GLU A 13 9.751 5.400 -0.181 1.00 0.00 C ATOM 149 O GLU A 13 10.360 4.457 -0.684 1.00 0.00 O ATOM 150 CB GLU A 13 10.064 5.395 2.301 1.00 0.00 C ATOM 151 CG GLU A 13 10.871 5.899 3.486 1.00 0.00 C ATOM 152 CD GLU A 13 11.129 4.819 4.518 1.00 0.00 C ATOM 153 OE1 GLU A 13 11.655 3.751 4.140 1.00 0.00 O ATOM 154 OE2 GLU A 13 10.805 5.041 5.703 1.00 0.00 O ATOM 0 H GLU A 13 8.771 7.532 1.309 1.00 0.00 H new ATOM 0 HA GLU A 13 11.408 6.259 0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.003 5.461 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.290 4.341 2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.824 6.292 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.340 6.727 3.957 1.00 0.00 H new ATOM 161 N GLY A 14 8.568 5.815 -0.624 1.00 0.00 N ATOM 162 CA GLY A 14 7.924 5.159 -1.747 1.00 0.00 C ATOM 163 C GLY A 14 7.697 3.681 -1.502 1.00 0.00 C ATOM 164 O GLY A 14 8.195 3.122 -0.524 1.00 0.00 O ATOM 0 H GLY A 14 8.044 6.594 -0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.968 5.642 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.538 5.286 -2.639 1.00 0.00 H new ATOM 168 N LEU A 15 6.942 3.045 -2.391 1.00 0.00 N ATOM 169 CA LEU A 15 6.648 1.621 -2.267 1.00 0.00 C ATOM 170 C LEU A 15 7.919 0.789 -2.404 1.00 0.00 C ATOM 171 O LEU A 15 9.011 1.330 -2.580 1.00 0.00 O ATOM 172 CB LEU A 15 5.630 1.196 -3.326 1.00 0.00 C ATOM 173 CG LEU A 15 4.186 1.637 -3.085 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.366 1.502 -4.358 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.562 0.826 -1.958 1.00 0.00 C ATOM 0 H LEU A 15 6.522 3.493 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 15 6.227 1.447 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.953 1.590 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.649 0.109 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 15 4.192 2.687 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.341 1.821 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.800 2.127 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.368 0.462 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.534 1.153 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.570 -0.231 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.135 0.975 -1.043 1.00 0.00 H new ATOM 187 N ARG A 16 7.769 -0.529 -2.323 1.00 0.00 N ATOM 188 CA ARG A 16 8.904 -1.436 -2.439 1.00 0.00 C ATOM 189 C ARG A 16 8.435 -2.865 -2.695 1.00 0.00 C ATOM 190 O ARG A 16 7.676 -3.430 -1.908 1.00 0.00 O ATOM 191 CB ARG A 16 9.755 -1.387 -1.168 1.00 0.00 C ATOM 192 CG ARG A 16 9.048 -1.938 0.060 1.00 0.00 C ATOM 193 CD ARG A 16 9.899 -1.782 1.310 1.00 0.00 C ATOM 194 NE ARG A 16 11.046 -2.688 1.308 1.00 0.00 N ATOM 195 CZ ARG A 16 12.201 -2.408 0.715 1.00 0.00 C ATOM 196 NH1 ARG A 16 12.363 -1.256 0.080 1.00 0.00 N ATOM 197 NH2 ARG A 16 13.198 -3.283 0.757 1.00 0.00 N ATOM 0 H ARG A 16 6.872 -0.992 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 16 9.509 -1.114 -3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.672 -1.952 -1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.047 -0.355 -0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.099 -1.420 0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.816 -2.992 -0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.250 -0.753 1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.287 -1.974 2.191 1.00 0.00 H new ATOM 0 HE ARG A 16 10.954 -3.583 1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.599 -0.581 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.251 -1.045 -0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.077 -4.171 1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.085 -3.068 0.302 1.00 0.00 H new ATOM 211 N ASN A 17 8.891 -3.443 -3.801 1.00 0.00 N ATOM 212 CA ASN A 17 8.516 -4.806 -4.162 1.00 0.00 C ATOM 213 C ASN A 17 8.602 -5.732 -2.952 1.00 0.00 C ATOM 214 O ASN A 17 9.450 -5.550 -2.079 1.00 0.00 O ATOM 215 CB ASN A 17 9.420 -5.326 -5.281 1.00 0.00 C ATOM 216 CG ASN A 17 9.423 -4.414 -6.493 1.00 0.00 C ATOM 217 OD1 ASN A 17 8.759 -3.377 -6.504 1.00 0.00 O ATOM 218 ND2 ASN A 17 10.171 -4.797 -7.520 1.00 0.00 N ATOM 0 H ASN A 17 9.521 -2.989 -4.463 1.00 0.00 H new ATOM 0 HA ASN A 17 7.485 -4.792 -4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.438 -5.428 -4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.089 -6.321 -5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.212 -4.224 -8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.705 -5.664 -7.467 1.00 0.00 H new ATOM 225 N GLU A 18 7.719 -6.724 -2.910 1.00 0.00 N ATOM 226 CA GLU A 18 7.696 -7.678 -1.807 1.00 0.00 C ATOM 227 C GLU A 18 7.081 -9.004 -2.247 1.00 0.00 C ATOM 228 O GLU A 18 6.568 -9.122 -3.359 1.00 0.00 O ATOM 229 CB GLU A 18 6.910 -7.106 -0.625 1.00 0.00 C ATOM 230 CG GLU A 18 5.413 -7.027 -0.871 1.00 0.00 C ATOM 231 CD GLU A 18 4.674 -6.326 0.252 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.147 -5.259 0.698 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.623 -6.843 0.686 1.00 0.00 O ATOM 0 H GLU A 18 7.011 -6.888 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 18 8.725 -7.860 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.093 -7.723 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.286 -6.108 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.230 -6.499 -1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.014 -8.034 -0.990 1.00 0.00 H new ATOM 240 N GLU A 19 7.137 -9.997 -1.366 1.00 0.00 N ATOM 241 CA GLU A 19 6.587 -11.314 -1.664 1.00 0.00 C ATOM 242 C GLU A 19 5.433 -11.648 -0.722 1.00 0.00 C ATOM 243 O GLU A 19 5.185 -10.935 0.250 1.00 0.00 O ATOM 244 CB GLU A 19 7.675 -12.383 -1.553 1.00 0.00 C ATOM 245 CG GLU A 19 8.720 -12.305 -2.654 1.00 0.00 C ATOM 246 CD GLU A 19 10.069 -12.842 -2.218 1.00 0.00 C ATOM 247 OE1 GLU A 19 10.173 -14.066 -1.988 1.00 0.00 O ATOM 248 OE2 GLU A 19 11.020 -12.041 -2.107 1.00 0.00 O ATOM 0 H GLU A 19 7.557 -9.915 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 19 6.207 -11.297 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.170 -12.287 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.209 -13.368 -1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.372 -12.868 -3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.831 -11.268 -2.971 1.00 0.00 H new ATOM 255 N ALA A 20 4.732 -12.737 -1.018 1.00 0.00 N ATOM 256 CA ALA A 20 3.606 -13.167 -0.198 1.00 0.00 C ATOM 257 C ALA A 20 3.200 -14.599 -0.530 1.00 0.00 C ATOM 258 O ALA A 20 3.825 -15.255 -1.364 1.00 0.00 O ATOM 259 CB ALA A 20 2.425 -12.226 -0.387 1.00 0.00 C ATOM 0 H ALA A 20 4.924 -13.338 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 20 3.918 -13.137 0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.592 -12.559 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.713 -11.217 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.123 -12.227 -1.434 1.00 0.00 H new ATOM 265 N VAL A 21 2.152 -15.080 0.130 1.00 0.00 N ATOM 266 CA VAL A 21 1.663 -16.435 -0.095 1.00 0.00 C ATOM 267 C VAL A 21 0.175 -16.435 -0.427 1.00 0.00 C ATOM 268 O VAL A 21 -0.596 -15.656 0.133 1.00 0.00 O ATOM 269 CB VAL A 21 1.902 -17.330 1.136 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.408 -18.744 0.873 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.376 -17.333 1.514 1.00 0.00 C ATOM 0 H VAL A 21 1.625 -14.551 0.825 1.00 0.00 H new ATOM 0 HA VAL A 21 2.221 -16.836 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 21 1.336 -16.924 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.585 -19.361 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.340 -18.722 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.944 -19.164 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.527 -17.970 2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.965 -17.714 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.694 -16.317 1.748 1.00 0.00 H new ATOM 281 N GLU A 22 -0.222 -17.314 -1.342 1.00 0.00 N ATOM 282 CA GLU A 22 -1.618 -17.414 -1.749 1.00 0.00 C ATOM 283 C GLU A 22 -2.536 -17.491 -0.532 1.00 0.00 C ATOM 284 O GLU A 22 -2.274 -18.237 0.410 1.00 0.00 O ATOM 285 CB GLU A 22 -1.827 -18.642 -2.637 1.00 0.00 C ATOM 286 CG GLU A 22 -1.568 -18.379 -4.111 1.00 0.00 C ATOM 287 CD GLU A 22 -2.386 -19.279 -5.017 1.00 0.00 C ATOM 288 OE1 GLU A 22 -3.626 -19.296 -4.875 1.00 0.00 O ATOM 289 OE2 GLU A 22 -1.785 -19.967 -5.869 1.00 0.00 O ATOM 0 H GLU A 22 0.403 -17.966 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.869 -16.517 -2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.168 -19.441 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.850 -18.999 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.798 -17.338 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.508 -18.524 -4.321 1.00 0.00 H new ATOM 296 N GLY A 23 -3.613 -16.712 -0.561 1.00 0.00 N ATOM 297 CA GLY A 23 -4.553 -16.706 0.545 1.00 0.00 C ATOM 298 C GLY A 23 -4.117 -15.790 1.671 1.00 0.00 C ATOM 299 O GLY A 23 -4.925 -15.407 2.516 1.00 0.00 O ATOM 0 H GLY A 23 -3.851 -16.085 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.532 -16.392 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.665 -17.720 0.928 1.00 0.00 H new ATOM 303 N ALA A 24 -2.836 -15.438 1.684 1.00 0.00 N ATOM 304 CA ALA A 24 -2.294 -14.561 2.714 1.00 0.00 C ATOM 305 C ALA A 24 -2.734 -13.118 2.494 1.00 0.00 C ATOM 306 O ALA A 24 -3.491 -12.823 1.568 1.00 0.00 O ATOM 307 CB ALA A 24 -0.776 -14.654 2.741 1.00 0.00 C ATOM 0 H ALA A 24 -2.153 -15.747 0.992 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.684 -14.889 3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.385 -13.994 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.478 -15.680 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.376 -14.355 1.772 1.00 0.00 H new ATOM 313 N THR A 25 -2.257 -12.221 3.350 1.00 0.00 N ATOM 314 CA THR A 25 -2.603 -10.809 3.250 1.00 0.00 C ATOM 315 C THR A 25 -1.356 -9.948 3.078 1.00 0.00 C ATOM 316 O THR A 25 -0.677 -9.621 4.050 1.00 0.00 O ATOM 317 CB THR A 25 -3.375 -10.330 4.494 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.428 -11.250 4.801 1.00 0.00 O ATOM 319 CG2 THR A 25 -3.956 -8.943 4.269 1.00 0.00 C ATOM 0 H THR A 25 -1.629 -12.447 4.121 1.00 0.00 H new ATOM 0 HA THR A 25 -3.240 -10.702 2.372 1.00 0.00 H new ATOM 0 HB THR A 25 -2.679 -10.283 5.331 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.913 -10.939 5.594 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.497 -8.626 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.149 -8.239 4.064 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.639 -8.968 3.420 1.00 0.00 H new ATOM 327 N ALA A 26 -1.062 -9.584 1.834 1.00 0.00 N ATOM 328 CA ALA A 26 0.102 -8.759 1.535 1.00 0.00 C ATOM 329 C ALA A 26 0.136 -7.517 2.420 1.00 0.00 C ATOM 330 O ALA A 26 -0.884 -7.112 2.977 1.00 0.00 O ATOM 331 CB ALA A 26 0.104 -8.363 0.066 1.00 0.00 C ATOM 0 H ALA A 26 -1.614 -9.847 1.017 1.00 0.00 H new ATOM 0 HA ALA A 26 0.997 -9.346 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.979 -7.747 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.135 -9.260 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.800 -7.798 -0.160 1.00 0.00 H new ATOM 337 N MET A 27 1.316 -6.918 2.544 1.00 0.00 N ATOM 338 CA MET A 27 1.482 -5.721 3.362 1.00 0.00 C ATOM 339 C MET A 27 2.276 -4.657 2.612 1.00 0.00 C ATOM 340 O MET A 27 3.493 -4.769 2.458 1.00 0.00 O ATOM 341 CB MET A 27 2.186 -6.069 4.675 1.00 0.00 C ATOM 342 CG MET A 27 2.478 -4.858 5.547 1.00 0.00 C ATOM 343 SD MET A 27 1.022 -4.275 6.435 1.00 0.00 S ATOM 344 CE MET A 27 0.418 -3.020 5.309 1.00 0.00 C ATOM 0 H MET A 27 2.170 -7.241 2.090 1.00 0.00 H new ATOM 0 HA MET A 27 0.492 -5.322 3.584 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.567 -6.769 5.235 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.123 -6.580 4.451 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.259 -5.111 6.264 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.866 -4.052 4.924 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.151 -2.125 5.871 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.196 -2.775 4.586 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.461 -3.395 4.784 1.00 0.00 H new ATOM 354 N LEU A 28 1.581 -3.625 2.147 1.00 0.00 N ATOM 355 CA LEU A 28 2.221 -2.539 1.412 1.00 0.00 C ATOM 356 C LEU A 28 1.993 -1.201 2.108 1.00 0.00 C ATOM 357 O LEU A 28 0.859 -0.838 2.419 1.00 0.00 O ATOM 358 CB LEU A 28 1.686 -2.480 -0.019 1.00 0.00 C ATOM 359 CG LEU A 28 1.979 -3.697 -0.897 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.893 -3.874 -1.946 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.344 -3.562 -1.557 1.00 0.00 C ATOM 0 H LEU A 28 0.574 -3.517 2.266 1.00 0.00 H new ATOM 0 HA LEU A 28 3.293 -2.735 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.606 -2.340 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.103 -1.598 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 28 1.990 -4.584 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.120 -4.745 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.069 -4.018 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.848 -2.986 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.536 -4.437 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.361 -2.666 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.114 -3.486 -0.789 1.00 0.00 H new ATOM 373 N TRP A 29 3.077 -0.473 2.349 1.00 0.00 N ATOM 374 CA TRP A 29 2.995 0.826 3.006 1.00 0.00 C ATOM 375 C TRP A 29 3.882 1.849 2.305 1.00 0.00 C ATOM 376 O TRP A 29 4.785 1.486 1.550 1.00 0.00 O ATOM 377 CB TRP A 29 3.401 0.703 4.476 1.00 0.00 C ATOM 378 CG TRP A 29 4.873 0.501 4.670 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.524 -0.690 4.823 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.877 1.520 4.735 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.872 -0.472 4.978 1.00 0.00 N ATOM 382 CE2 TRP A 29 7.114 0.875 4.928 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.851 2.915 4.648 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.311 1.578 5.035 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.040 3.611 4.755 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.257 2.942 4.946 1.00 0.00 C ATOM 0 H TRP A 29 4.023 -0.760 2.099 1.00 0.00 H new ATOM 0 HA TRP A 29 1.962 1.169 2.948 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.092 1.603 5.008 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.864 -0.133 4.925 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.049 -1.660 4.822 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.578 -1.196 5.109 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.918 3.439 4.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.249 1.064 5.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.032 4.689 4.690 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.169 3.514 5.024 1.00 0.00 H new ATOM 397 N CYS A 30 3.619 3.126 2.557 1.00 0.00 N ATOM 398 CA CYS A 30 4.393 4.201 1.949 1.00 0.00 C ATOM 399 C CYS A 30 4.214 5.505 2.720 1.00 0.00 C ATOM 400 O CYS A 30 3.095 5.881 3.069 1.00 0.00 O ATOM 401 CB CYS A 30 3.977 4.396 0.490 1.00 0.00 C ATOM 402 SG CYS A 30 2.271 4.957 0.278 1.00 0.00 S ATOM 0 H CYS A 30 2.875 3.442 3.179 1.00 0.00 H new ATOM 0 HA CYS A 30 5.446 3.921 1.985 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.647 5.120 0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.107 3.454 -0.043 1.00 0.00 H new ATOM 0 HG CYS A 30 1.778 4.446 -0.811 1.00 0.00 H new ATOM 408 N GLU A 31 5.323 6.189 2.983 1.00 0.00 N ATOM 409 CA GLU A 31 5.287 7.449 3.715 1.00 0.00 C ATOM 410 C GLU A 31 5.121 8.628 2.761 1.00 0.00 C ATOM 411 O GLU A 31 5.394 8.517 1.565 1.00 0.00 O ATOM 412 CB GLU A 31 6.564 7.622 4.540 1.00 0.00 C ATOM 413 CG GLU A 31 6.466 7.048 5.943 1.00 0.00 C ATOM 414 CD GLU A 31 7.823 6.730 6.540 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.584 7.679 6.822 1.00 0.00 O ATOM 416 OE2 GLU A 31 8.124 5.532 6.725 1.00 0.00 O ATOM 0 H GLU A 31 6.257 5.892 2.700 1.00 0.00 H new ATOM 0 HA GLU A 31 4.429 7.425 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.392 7.142 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.802 8.684 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.948 7.759 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.862 6.141 5.919 1.00 0.00 H new ATOM 423 N LEU A 32 4.670 9.757 3.298 1.00 0.00 N ATOM 424 CA LEU A 32 4.466 10.958 2.495 1.00 0.00 C ATOM 425 C LEU A 32 4.906 12.203 3.257 1.00 0.00 C ATOM 426 O LEU A 32 4.709 12.304 4.468 1.00 0.00 O ATOM 427 CB LEU A 32 2.995 11.084 2.095 1.00 0.00 C ATOM 428 CG LEU A 32 2.395 9.888 1.355 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.880 9.882 1.487 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.805 9.908 -0.111 1.00 0.00 C ATOM 0 H LEU A 32 4.439 9.866 4.285 1.00 0.00 H new ATOM 0 HA LEU A 32 5.075 10.871 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.408 11.259 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.885 11.967 1.466 1.00 0.00 H new ATOM 0 HG LEU A 32 2.781 8.975 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.472 9.023 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.607 9.818 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.474 10.800 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.369 9.050 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.448 10.827 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.891 9.862 -0.186 1.00 0.00 H new ATOM 442 N SER A 33 5.501 13.151 2.539 1.00 0.00 N ATOM 443 CA SER A 33 5.970 14.390 3.148 1.00 0.00 C ATOM 444 C SER A 33 4.879 15.020 4.008 1.00 0.00 C ATOM 445 O SER A 33 5.159 15.820 4.901 1.00 0.00 O ATOM 446 CB SER A 33 6.418 15.376 2.068 1.00 0.00 C ATOM 447 OG SER A 33 7.074 16.495 2.639 1.00 0.00 O ATOM 0 H SER A 33 5.669 13.084 1.535 1.00 0.00 H new ATOM 0 HA SER A 33 6.820 14.152 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.088 14.875 1.369 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.553 15.711 1.495 1.00 0.00 H new ATOM 0 HG SER A 33 7.352 17.109 1.928 1.00 0.00 H new ATOM 453 N LYS A 34 3.632 14.655 3.731 1.00 0.00 N ATOM 454 CA LYS A 34 2.496 15.182 4.477 1.00 0.00 C ATOM 455 C LYS A 34 1.275 14.281 4.319 1.00 0.00 C ATOM 456 O LYS A 34 1.172 13.522 3.356 1.00 0.00 O ATOM 457 CB LYS A 34 2.162 16.599 4.005 1.00 0.00 C ATOM 458 CG LYS A 34 1.787 16.678 2.535 1.00 0.00 C ATOM 459 CD LYS A 34 0.292 16.499 2.330 1.00 0.00 C ATOM 460 CE LYS A 34 -0.182 17.187 1.059 1.00 0.00 C ATOM 461 NZ LYS A 34 -1.625 17.547 1.130 1.00 0.00 N ATOM 0 H LYS A 34 3.382 13.995 2.994 1.00 0.00 H new ATOM 0 HA LYS A 34 2.769 15.212 5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.338 16.987 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.020 17.246 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.098 17.641 2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.326 15.910 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.055 15.436 2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.245 16.905 3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.409 18.087 0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.013 16.530 0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.059 17.429 0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.104 16.927 1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.721 18.537 1.433 1.00 0.00 H new ATOM 475 N VAL A 35 0.351 14.372 5.270 1.00 0.00 N ATOM 476 CA VAL A 35 -0.864 13.567 5.235 1.00 0.00 C ATOM 477 C VAL A 35 -1.778 14.001 4.094 1.00 0.00 C ATOM 478 O VAL A 35 -2.208 15.152 4.034 1.00 0.00 O ATOM 479 CB VAL A 35 -1.639 13.661 6.563 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.728 12.601 6.622 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.689 13.528 7.744 1.00 0.00 C ATOM 0 H VAL A 35 0.421 14.995 6.074 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.554 12.534 5.076 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.115 14.640 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.265 12.683 7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.424 12.748 5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.277 11.612 6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.253 13.597 8.674 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.183 12.564 7.697 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.050 14.328 7.708 1.00 0.00 H new ATOM 491 N ALA A 36 -2.071 13.071 3.191 1.00 0.00 N ATOM 492 CA ALA A 36 -2.936 13.356 2.054 1.00 0.00 C ATOM 493 C ALA A 36 -3.667 12.101 1.591 1.00 0.00 C ATOM 494 O ALA A 36 -3.234 10.975 1.837 1.00 0.00 O ATOM 495 CB ALA A 36 -2.126 13.949 0.910 1.00 0.00 C ATOM 0 H ALA A 36 -1.722 12.113 3.225 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.683 14.083 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.785 14.157 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.655 14.875 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.357 13.240 0.603 1.00 0.00 H new ATOM 501 N PRO A 37 -4.804 12.295 0.907 1.00 0.00 N ATOM 502 CA PRO A 37 -5.620 11.190 0.396 1.00 0.00 C ATOM 503 C PRO A 37 -4.941 10.450 -0.751 1.00 0.00 C ATOM 504 O PRO A 37 -4.603 11.046 -1.774 1.00 0.00 O ATOM 505 CB PRO A 37 -6.893 11.885 -0.094 1.00 0.00 C ATOM 506 CG PRO A 37 -6.467 13.278 -0.407 1.00 0.00 C ATOM 507 CD PRO A 37 -5.381 13.610 0.578 1.00 0.00 C ATOM 0 HA PRO A 37 -5.799 10.430 1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.301 11.389 -0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.671 11.871 0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.101 13.353 -1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.303 13.972 -0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.637 14.278 0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.779 14.107 1.463 1.00 0.00 H new ATOM 515 N VAL A 38 -4.744 9.147 -0.575 1.00 0.00 N ATOM 516 CA VAL A 38 -4.106 8.325 -1.597 1.00 0.00 C ATOM 517 C VAL A 38 -5.108 7.374 -2.241 1.00 0.00 C ATOM 518 O VAL A 38 -6.214 7.186 -1.734 1.00 0.00 O ATOM 519 CB VAL A 38 -2.940 7.507 -1.011 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.857 8.429 -0.474 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.441 6.569 0.077 1.00 0.00 C ATOM 0 H VAL A 38 -5.017 8.638 0.266 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.717 9.005 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.507 6.903 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.042 7.833 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.478 9.055 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.273 9.062 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.604 5.999 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.901 7.151 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.177 5.884 -0.344 1.00 0.00 H new ATOM 531 N GLU A 39 -4.712 6.776 -3.360 1.00 0.00 N ATOM 532 CA GLU A 39 -5.577 5.843 -4.074 1.00 0.00 C ATOM 533 C GLU A 39 -4.764 4.705 -4.683 1.00 0.00 C ATOM 534 O GLU A 39 -4.046 4.896 -5.664 1.00 0.00 O ATOM 535 CB GLU A 39 -6.355 6.572 -5.171 1.00 0.00 C ATOM 536 CG GLU A 39 -7.164 7.753 -4.661 1.00 0.00 C ATOM 537 CD GLU A 39 -8.522 7.343 -4.125 1.00 0.00 C ATOM 538 OE1 GLU A 39 -9.411 7.024 -4.942 1.00 0.00 O ATOM 539 OE2 GLU A 39 -8.695 7.340 -2.888 1.00 0.00 O ATOM 0 H GLU A 39 -3.799 6.920 -3.792 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.282 5.420 -3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.655 6.922 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.027 5.866 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.605 8.259 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.299 8.472 -5.469 1.00 0.00 H new ATOM 546 N TRP A 40 -4.882 3.520 -4.093 1.00 0.00 N ATOM 547 CA TRP A 40 -4.158 2.350 -4.577 1.00 0.00 C ATOM 548 C TRP A 40 -4.816 1.782 -5.829 1.00 0.00 C ATOM 549 O TRP A 40 -6.041 1.701 -5.916 1.00 0.00 O ATOM 550 CB TRP A 40 -4.095 1.278 -3.488 1.00 0.00 C ATOM 551 CG TRP A 40 -3.595 1.796 -2.173 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.265 2.608 -1.304 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.317 1.537 -1.581 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.481 2.870 -0.206 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.281 2.224 -0.351 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.201 0.791 -1.968 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.173 2.187 0.490 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.101 0.755 -1.131 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.094 1.449 0.086 1.00 0.00 C ATOM 0 H TRP A 40 -5.472 3.345 -3.279 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.144 2.660 -4.831 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.089 0.853 -3.349 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.446 0.469 -3.822 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.264 2.989 -1.457 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.749 3.451 0.588 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.198 0.252 -2.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.165 2.722 1.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.768 0.182 -1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.781 1.400 0.718 1.00 0.00 H new ATOM 570 N ARG A 41 -3.995 1.390 -6.798 1.00 0.00 N ATOM 571 CA ARG A 41 -4.498 0.830 -8.046 1.00 0.00 C ATOM 572 C ARG A 41 -3.599 -0.301 -8.537 1.00 0.00 C ATOM 573 O ARG A 41 -2.411 -0.348 -8.216 1.00 0.00 O ATOM 574 CB ARG A 41 -4.595 1.919 -9.116 1.00 0.00 C ATOM 575 CG ARG A 41 -5.938 2.630 -9.141 1.00 0.00 C ATOM 576 CD ARG A 41 -5.941 3.781 -10.135 1.00 0.00 C ATOM 577 NE ARG A 41 -6.205 3.327 -11.498 1.00 0.00 N ATOM 578 CZ ARG A 41 -5.963 4.062 -12.577 1.00 0.00 C ATOM 579 NH1 ARG A 41 -5.453 5.280 -12.454 1.00 0.00 N ATOM 580 NH2 ARG A 41 -6.230 3.579 -13.784 1.00 0.00 N ATOM 0 H ARG A 41 -2.978 1.450 -6.742 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.492 0.425 -7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.808 2.654 -8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.411 1.473 -10.094 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.722 1.920 -9.403 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.170 3.007 -8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.697 4.510 -9.843 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.978 4.290 -10.103 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.597 2.394 -11.628 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.245 5.655 -11.528 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.268 5.842 -13.285 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.621 2.642 -13.883 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.044 4.144 -14.612 1.00 0.00 H new ATOM 594 N LYS A 42 -4.173 -1.211 -9.316 1.00 0.00 N ATOM 595 CA LYS A 42 -3.425 -2.342 -9.852 1.00 0.00 C ATOM 596 C LYS A 42 -3.674 -2.499 -11.349 1.00 0.00 C ATOM 597 O LYS A 42 -4.568 -3.234 -11.765 1.00 0.00 O ATOM 598 CB LYS A 42 -3.814 -3.629 -9.122 1.00 0.00 C ATOM 599 CG LYS A 42 -3.059 -4.855 -9.606 1.00 0.00 C ATOM 600 CD LYS A 42 -3.399 -6.083 -8.778 1.00 0.00 C ATOM 601 CE LYS A 42 -2.899 -7.358 -9.440 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.874 -7.886 -10.434 1.00 0.00 N ATOM 0 H LYS A 42 -5.155 -1.187 -9.591 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.363 -2.150 -9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.634 -3.500 -8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.883 -3.799 -9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.300 -5.042 -10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.987 -4.666 -9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.956 -5.989 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.479 -6.143 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.947 -7.162 -9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.712 -8.114 -8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.734 -8.910 -10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.842 -7.704 -10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.728 -7.413 -11.349 1.00 0.00 H new ATOM 616 N GLY A 43 -2.876 -1.803 -12.153 1.00 0.00 N ATOM 617 CA GLY A 43 -3.026 -1.881 -13.595 1.00 0.00 C ATOM 618 C GLY A 43 -4.470 -1.750 -14.035 1.00 0.00 C ATOM 619 O GLY A 43 -5.116 -0.723 -13.824 1.00 0.00 O ATOM 0 H GLY A 43 -2.129 -1.187 -11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.434 -1.094 -14.062 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.627 -2.832 -13.948 1.00 0.00 H new ATOM 623 N PRO A 44 -4.999 -2.809 -14.666 1.00 0.00 N ATOM 624 CA PRO A 44 -6.382 -2.832 -15.152 1.00 0.00 C ATOM 625 C PRO A 44 -7.396 -2.879 -14.013 1.00 0.00 C ATOM 626 O PRO A 44 -8.549 -2.484 -14.181 1.00 0.00 O ATOM 627 CB PRO A 44 -6.446 -4.118 -15.979 1.00 0.00 C ATOM 628 CG PRO A 44 -5.384 -4.991 -15.405 1.00 0.00 C ATOM 629 CD PRO A 44 -4.288 -4.066 -14.952 1.00 0.00 C ATOM 0 HA PRO A 44 -6.631 -1.933 -15.717 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.427 -4.587 -15.905 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.266 -3.919 -17.035 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.769 -5.577 -14.571 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.016 -5.698 -16.148 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.778 -4.449 -14.068 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.530 -3.932 -15.724 1.00 0.00 H new ATOM 637 N GLU A 45 -6.957 -3.365 -12.856 1.00 0.00 N ATOM 638 CA GLU A 45 -7.828 -3.463 -11.691 1.00 0.00 C ATOM 639 C GLU A 45 -7.845 -2.152 -10.911 1.00 0.00 C ATOM 640 O GLU A 45 -7.083 -1.232 -11.208 1.00 0.00 O ATOM 641 CB GLU A 45 -7.371 -4.605 -10.780 1.00 0.00 C ATOM 642 CG GLU A 45 -8.006 -5.944 -11.117 1.00 0.00 C ATOM 643 CD GLU A 45 -7.892 -6.945 -9.984 1.00 0.00 C ATOM 644 OE1 GLU A 45 -6.796 -7.514 -9.802 1.00 0.00 O ATOM 645 OE2 GLU A 45 -8.901 -7.159 -9.279 1.00 0.00 O ATOM 0 H GLU A 45 -6.005 -3.696 -12.701 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.839 -3.669 -12.042 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.287 -4.700 -10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.606 -4.351 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.058 -5.792 -11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.530 -6.354 -12.008 1.00 0.00 H new ATOM 652 N ASN A 46 -8.719 -2.074 -9.913 1.00 0.00 N ATOM 653 CA ASN A 46 -8.836 -0.875 -9.091 1.00 0.00 C ATOM 654 C ASN A 46 -8.890 -1.234 -7.610 1.00 0.00 C ATOM 655 O ASN A 46 -9.610 -2.149 -7.207 1.00 0.00 O ATOM 656 CB ASN A 46 -10.087 -0.084 -9.481 1.00 0.00 C ATOM 657 CG ASN A 46 -11.198 -0.978 -9.997 1.00 0.00 C ATOM 658 OD1 ASN A 46 -11.653 -0.830 -11.131 1.00 0.00 O ATOM 659 ND2 ASN A 46 -11.642 -1.911 -9.162 1.00 0.00 N ATOM 0 H ASN A 46 -9.357 -2.827 -9.654 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.955 -0.258 -9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.445 0.474 -8.616 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.827 0.647 -10.247 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.390 -2.541 -9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.235 -1.997 -8.231 1.00 0.00 H new ATOM 666 N LEU A 47 -8.124 -0.508 -6.802 1.00 0.00 N ATOM 667 CA LEU A 47 -8.084 -0.750 -5.364 1.00 0.00 C ATOM 668 C LEU A 47 -8.595 0.464 -4.594 1.00 0.00 C ATOM 669 O LEU A 47 -8.397 1.605 -5.012 1.00 0.00 O ATOM 670 CB LEU A 47 -6.658 -1.085 -4.923 1.00 0.00 C ATOM 671 CG LEU A 47 -5.822 -1.896 -5.913 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.486 -2.280 -5.295 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.581 -3.137 -6.360 1.00 0.00 C ATOM 0 H LEU A 47 -7.523 0.253 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.734 -1.597 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.135 -0.152 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.710 -1.637 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.629 -1.277 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.905 -2.857 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.937 -1.378 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.658 -2.881 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.971 -3.702 -7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.805 -3.759 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.512 -2.840 -6.843 1.00 0.00 H new ATOM 685 N ARG A 48 -9.251 0.210 -3.467 1.00 0.00 N ATOM 686 CA ARG A 48 -9.789 1.281 -2.638 1.00 0.00 C ATOM 687 C ARG A 48 -10.327 0.731 -1.320 1.00 0.00 C ATOM 688 O ARG A 48 -10.689 -0.442 -1.227 1.00 0.00 O ATOM 689 CB ARG A 48 -10.899 2.024 -3.384 1.00 0.00 C ATOM 690 CG ARG A 48 -11.993 1.111 -3.914 1.00 0.00 C ATOM 691 CD ARG A 48 -11.680 0.626 -5.321 1.00 0.00 C ATOM 692 NE ARG A 48 -11.440 1.734 -6.241 1.00 0.00 N ATOM 693 CZ ARG A 48 -12.403 2.512 -6.722 1.00 0.00 C ATOM 694 NH1 ARG A 48 -13.665 2.305 -6.370 1.00 0.00 N ATOM 695 NH2 ARG A 48 -12.105 3.501 -7.555 1.00 0.00 N ATOM 0 H ARG A 48 -9.423 -0.729 -3.107 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.980 1.977 -2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.344 2.761 -2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.461 2.573 -4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.107 0.254 -3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.944 1.643 -3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.802 -0.020 -5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.509 0.022 -5.689 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.480 1.921 -6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.898 1.547 -5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.403 2.904 -6.741 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.135 3.664 -7.827 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.845 4.098 -7.924 1.00 0.00 H new ATOM 709 N ASP A 49 -10.377 1.586 -0.304 1.00 0.00 N ATOM 710 CA ASP A 49 -10.871 1.187 1.008 1.00 0.00 C ATOM 711 C ASP A 49 -12.313 0.695 0.919 1.00 0.00 C ATOM 712 O ASP A 49 -13.202 1.423 0.480 1.00 0.00 O ATOM 713 CB ASP A 49 -10.778 2.356 1.990 1.00 0.00 C ATOM 714 CG ASP A 49 -10.906 1.911 3.433 1.00 0.00 C ATOM 715 OD1 ASP A 49 -10.367 0.837 3.774 1.00 0.00 O ATOM 716 OD2 ASP A 49 -11.544 2.638 4.223 1.00 0.00 O ATOM 0 H ASP A 49 -10.081 2.560 -0.364 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.248 0.369 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.825 2.866 1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.562 3.079 1.765 1.00 0.00 H new ATOM 721 N GLY A 50 -12.536 -0.547 1.339 1.00 0.00 N ATOM 722 CA GLY A 50 -13.871 -1.115 1.297 1.00 0.00 C ATOM 723 C GLY A 50 -14.022 -2.309 2.219 1.00 0.00 C ATOM 724 O GLY A 50 -13.922 -2.176 3.439 1.00 0.00 O ATOM 0 H GLY A 50 -11.817 -1.169 1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.597 -0.351 1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.102 -1.417 0.275 1.00 0.00 H new ATOM 728 N ASP A 51 -14.265 -3.478 1.636 1.00 0.00 N ATOM 729 CA ASP A 51 -14.430 -4.700 2.413 1.00 0.00 C ATOM 730 C ASP A 51 -13.255 -5.648 2.194 1.00 0.00 C ATOM 731 O ASP A 51 -12.502 -5.944 3.121 1.00 0.00 O ATOM 732 CB ASP A 51 -15.740 -5.396 2.037 1.00 0.00 C ATOM 733 CG ASP A 51 -16.132 -5.149 0.593 1.00 0.00 C ATOM 734 OD1 ASP A 51 -16.633 -4.044 0.296 1.00 0.00 O ATOM 735 OD2 ASP A 51 -15.940 -6.061 -0.238 1.00 0.00 O ATOM 0 H ASP A 51 -14.352 -3.605 0.628 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.461 -4.428 3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.640 -6.468 2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -16.537 -5.044 2.692 1.00 0.00 H new ATOM 740 N ARG A 52 -13.106 -6.121 0.961 1.00 0.00 N ATOM 741 CA ARG A 52 -12.024 -7.036 0.620 1.00 0.00 C ATOM 742 C ARG A 52 -10.674 -6.326 0.668 1.00 0.00 C ATOM 743 O ARG A 52 -9.630 -6.963 0.809 1.00 0.00 O ATOM 744 CB ARG A 52 -12.249 -7.631 -0.772 1.00 0.00 C ATOM 745 CG ARG A 52 -12.607 -6.595 -1.825 1.00 0.00 C ATOM 746 CD ARG A 52 -12.278 -7.088 -3.226 1.00 0.00 C ATOM 747 NE ARG A 52 -12.703 -8.470 -3.433 1.00 0.00 N ATOM 748 CZ ARG A 52 -12.700 -9.070 -4.619 1.00 0.00 C ATOM 749 NH1 ARG A 52 -12.296 -8.412 -5.697 1.00 0.00 N ATOM 750 NH2 ARG A 52 -13.102 -10.330 -4.727 1.00 0.00 N ATOM 0 H ARG A 52 -13.721 -5.886 0.182 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.019 -7.840 1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.347 -8.157 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.047 -8.372 -0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.670 -6.361 -1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.065 -5.671 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.764 -6.445 -3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.204 -7.010 -3.395 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.019 -9.004 -2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.987 -7.443 -5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.295 -8.875 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.414 -10.839 -3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.099 -10.790 -5.637 1.00 0.00 H new ATOM 764 N TYR A 53 -10.704 -5.003 0.551 1.00 0.00 N ATOM 765 CA TYR A 53 -9.483 -4.206 0.578 1.00 0.00 C ATOM 766 C TYR A 53 -9.414 -3.359 1.845 1.00 0.00 C ATOM 767 O TYR A 53 -10.077 -2.327 1.952 1.00 0.00 O ATOM 768 CB TYR A 53 -9.409 -3.305 -0.656 1.00 0.00 C ATOM 769 CG TYR A 53 -9.044 -4.044 -1.924 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.732 -4.427 -2.174 1.00 0.00 C ATOM 771 CD2 TYR A 53 -10.010 -4.357 -2.872 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.393 -5.101 -3.331 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.680 -5.032 -4.031 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.371 -5.402 -4.256 1.00 0.00 C ATOM 775 OH TYR A 53 -8.038 -6.073 -5.411 1.00 0.00 O ATOM 0 H TYR A 53 -11.560 -4.460 0.437 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.633 -4.889 0.572 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.372 -2.814 -0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.674 -2.520 -0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.964 -4.194 -1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.036 -4.068 -2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.368 -5.391 -3.510 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.443 -5.269 -4.757 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.842 -6.208 -5.955 1.00 0.00 H new ATOM 785 N ILE A 54 -8.606 -3.803 2.802 1.00 0.00 N ATOM 786 CA ILE A 54 -8.448 -3.086 4.061 1.00 0.00 C ATOM 787 C ILE A 54 -7.396 -1.989 3.941 1.00 0.00 C ATOM 788 O ILE A 54 -6.195 -2.256 4.010 1.00 0.00 O ATOM 789 CB ILE A 54 -8.053 -4.038 5.206 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.071 -5.174 5.328 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.944 -3.274 6.517 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.566 -6.355 6.127 1.00 0.00 C ATOM 0 H ILE A 54 -8.051 -4.656 2.729 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.414 -2.636 4.291 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.079 -4.471 4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.977 -4.790 5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.347 -5.513 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.664 -3.961 7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.185 -2.497 6.424 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.905 -2.816 6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.340 -7.121 6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.677 -6.765 5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.317 -6.031 7.138 1.00 0.00 H new ATOM 804 N LEU A 55 -7.853 -0.755 3.763 1.00 0.00 N ATOM 805 CA LEU A 55 -6.951 0.384 3.635 1.00 0.00 C ATOM 806 C LEU A 55 -6.975 1.242 4.896 1.00 0.00 C ATOM 807 O LEU A 55 -8.034 1.480 5.477 1.00 0.00 O ATOM 808 CB LEU A 55 -7.336 1.231 2.421 1.00 0.00 C ATOM 809 CG LEU A 55 -7.039 0.616 1.053 1.00 0.00 C ATOM 810 CD1 LEU A 55 -5.645 1.004 0.585 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.185 -0.897 1.105 1.00 0.00 C ATOM 0 H LEU A 55 -8.843 -0.517 3.704 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.940 0.001 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.403 1.446 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.815 2.186 2.489 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.762 1.005 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.451 0.557 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.576 2.089 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.907 0.644 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.970 -1.317 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.486 -1.305 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.204 -1.154 1.395 1.00 0.00 H new ATOM 823 N ARG A 56 -5.801 1.706 5.313 1.00 0.00 N ATOM 824 CA ARG A 56 -5.688 2.539 6.504 1.00 0.00 C ATOM 825 C ARG A 56 -4.709 3.686 6.274 1.00 0.00 C ATOM 826 O ARG A 56 -3.853 3.617 5.393 1.00 0.00 O ATOM 827 CB ARG A 56 -5.234 1.698 7.699 1.00 0.00 C ATOM 828 CG ARG A 56 -6.300 0.747 8.215 1.00 0.00 C ATOM 829 CD ARG A 56 -5.730 -0.231 9.231 1.00 0.00 C ATOM 830 NE ARG A 56 -6.609 -1.379 9.439 1.00 0.00 N ATOM 831 CZ ARG A 56 -7.659 -1.363 10.252 1.00 0.00 C ATOM 832 NH1 ARG A 56 -7.960 -0.264 10.930 1.00 0.00 N ATOM 833 NH2 ARG A 56 -8.411 -2.448 10.388 1.00 0.00 N ATOM 0 H ARG A 56 -4.915 1.519 4.843 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.670 2.960 6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.353 1.123 7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.932 2.364 8.507 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.108 1.318 8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.732 0.195 7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.754 -0.578 8.892 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.573 0.282 10.180 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.405 -2.240 8.932 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.385 0.572 10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.767 -0.255 11.554 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.183 -3.295 9.868 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.217 -2.435 11.013 1.00 0.00 H new ATOM 847 N GLN A 57 -4.844 4.740 7.073 1.00 0.00 N ATOM 848 CA GLN A 57 -3.972 5.903 6.955 1.00 0.00 C ATOM 849 C GLN A 57 -3.832 6.617 8.295 1.00 0.00 C ATOM 850 O GLN A 57 -4.747 7.309 8.739 1.00 0.00 O ATOM 851 CB GLN A 57 -4.517 6.871 5.903 1.00 0.00 C ATOM 852 CG GLN A 57 -3.599 8.052 5.630 1.00 0.00 C ATOM 853 CD GLN A 57 -4.264 9.125 4.790 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.483 9.293 4.827 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.463 9.859 4.025 1.00 0.00 N ATOM 0 H GLN A 57 -5.548 4.812 7.808 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.987 5.556 6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.683 6.328 4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.487 7.244 6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.278 8.485 6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.702 7.700 5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.458 9.686 4.025 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.853 10.596 3.438 1.00 0.00 H new ATOM 864 N GLU A 58 -2.680 6.443 8.936 1.00 0.00 N ATOM 865 CA GLU A 58 -2.421 7.070 10.226 1.00 0.00 C ATOM 866 C GLU A 58 -1.191 7.970 10.158 1.00 0.00 C ATOM 867 O GLU A 58 -0.067 7.520 10.375 1.00 0.00 O ATOM 868 CB GLU A 58 -2.227 6.003 11.307 1.00 0.00 C ATOM 869 CG GLU A 58 -3.403 5.051 11.441 1.00 0.00 C ATOM 870 CD GLU A 58 -3.331 4.207 12.698 1.00 0.00 C ATOM 871 OE1 GLU A 58 -2.992 4.760 13.766 1.00 0.00 O ATOM 872 OE2 GLU A 58 -3.613 2.994 12.615 1.00 0.00 O ATOM 0 H GLU A 58 -1.912 5.873 8.582 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.284 7.684 10.482 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.329 5.428 11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.058 6.495 12.265 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.330 5.624 11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.437 4.396 10.570 1.00 0.00 H new ATOM 879 N GLY A 59 -1.414 9.245 9.853 1.00 0.00 N ATOM 880 CA GLY A 59 -0.315 10.188 9.760 1.00 0.00 C ATOM 881 C GLY A 59 0.245 10.289 8.355 1.00 0.00 C ATOM 882 O GLY A 59 -0.501 10.260 7.376 1.00 0.00 O ATOM 0 H GLY A 59 -2.336 9.641 9.669 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.656 11.171 10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.478 9.885 10.443 1.00 0.00 H new ATOM 886 N THR A 60 1.566 10.408 8.253 1.00 0.00 N ATOM 887 CA THR A 60 2.226 10.516 6.959 1.00 0.00 C ATOM 888 C THR A 60 2.528 9.139 6.379 1.00 0.00 C ATOM 889 O THR A 60 3.462 8.977 5.593 1.00 0.00 O ATOM 890 CB THR A 60 3.538 11.316 7.062 1.00 0.00 C ATOM 891 OG1 THR A 60 4.168 11.063 8.323 1.00 0.00 O ATOM 892 CG2 THR A 60 3.277 12.807 6.910 1.00 0.00 C ATOM 0 H THR A 60 2.199 10.432 9.052 1.00 0.00 H new ATOM 0 HA THR A 60 1.539 11.043 6.297 1.00 0.00 H new ATOM 0 HB THR A 60 4.197 10.995 6.256 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.002 11.574 8.380 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.219 13.351 6.986 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.824 13.000 5.937 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.601 13.140 7.697 1.00 0.00 H new ATOM 900 N ARG A 61 1.731 8.150 6.770 1.00 0.00 N ATOM 901 CA ARG A 61 1.914 6.786 6.289 1.00 0.00 C ATOM 902 C ARG A 61 0.584 6.181 5.851 1.00 0.00 C ATOM 903 O ARG A 61 -0.465 6.482 6.423 1.00 0.00 O ATOM 904 CB ARG A 61 2.547 5.918 7.379 1.00 0.00 C ATOM 905 CG ARG A 61 2.887 4.511 6.916 1.00 0.00 C ATOM 906 CD ARG A 61 2.904 3.531 8.079 1.00 0.00 C ATOM 907 NE ARG A 61 3.841 2.433 7.856 1.00 0.00 N ATOM 908 CZ ARG A 61 5.159 2.559 7.960 1.00 0.00 C ATOM 909 NH1 ARG A 61 5.693 3.729 8.284 1.00 0.00 N ATOM 910 NH2 ARG A 61 5.946 1.513 7.742 1.00 0.00 N ATOM 0 H ARG A 61 0.952 8.268 7.418 1.00 0.00 H new ATOM 0 HA ARG A 61 2.580 6.818 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.455 6.403 7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.864 5.858 8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.158 4.185 6.174 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.861 4.513 6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.175 4.059 8.994 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.902 3.128 8.228 1.00 0.00 H new ATOM 0 HE ARG A 61 3.462 1.519 7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.091 4.535 8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.706 3.823 8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.539 0.611 7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.958 1.611 7.822 1.00 0.00 H new ATOM 924 N CYS A 62 0.634 5.328 4.834 1.00 0.00 N ATOM 925 CA CYS A 62 -0.568 4.682 4.318 1.00 0.00 C ATOM 926 C CYS A 62 -0.364 3.175 4.195 1.00 0.00 C ATOM 927 O CYS A 62 0.501 2.715 3.452 1.00 0.00 O ATOM 928 CB CYS A 62 -0.944 5.270 2.957 1.00 0.00 C ATOM 929 SG CYS A 62 -1.269 7.049 2.986 1.00 0.00 S ATOM 0 H CYS A 62 1.493 5.068 4.350 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.380 4.865 5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.137 5.070 2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.829 4.756 2.583 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.487 7.274 2.590 1.00 0.00 H new ATOM 935 N GLU A 63 -1.167 2.413 4.931 1.00 0.00 N ATOM 936 CA GLU A 63 -1.073 0.958 4.906 1.00 0.00 C ATOM 937 C GLU A 63 -2.156 0.358 4.014 1.00 0.00 C ATOM 938 O GLU A 63 -3.277 0.864 3.953 1.00 0.00 O ATOM 939 CB GLU A 63 -1.193 0.393 6.323 1.00 0.00 C ATOM 940 CG GLU A 63 0.096 0.475 7.123 1.00 0.00 C ATOM 941 CD GLU A 63 -0.032 -0.143 8.502 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.292 -1.361 8.585 1.00 0.00 O ATOM 943 OE2 GLU A 63 0.127 0.593 9.498 1.00 0.00 O ATOM 0 H GLU A 63 -1.889 2.779 5.551 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.099 0.689 4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.976 0.933 6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.508 -0.649 6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.892 -0.030 6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.391 1.520 7.223 1.00 0.00 H new ATOM 950 N LEU A 64 -1.812 -0.723 3.323 1.00 0.00 N ATOM 951 CA LEU A 64 -2.753 -1.393 2.432 1.00 0.00 C ATOM 952 C LEU A 64 -2.727 -2.903 2.649 1.00 0.00 C ATOM 953 O LEU A 64 -1.659 -3.511 2.718 1.00 0.00 O ATOM 954 CB LEU A 64 -2.424 -1.070 0.974 1.00 0.00 C ATOM 955 CG LEU A 64 -2.885 -2.097 -0.062 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.403 -2.175 -0.097 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.335 -1.750 -1.438 1.00 0.00 C ATOM 0 H LEU A 64 -0.889 -1.154 3.362 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.754 -1.029 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.872 -0.108 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.344 -0.952 0.884 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.498 -3.074 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.713 -2.910 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.775 -2.471 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.811 -1.199 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.673 -2.491 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.692 -0.764 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.246 -1.746 -1.404 1.00 0.00 H new ATOM 969 N GLN A 65 -3.910 -3.501 2.753 1.00 0.00 N ATOM 970 CA GLN A 65 -4.022 -4.940 2.960 1.00 0.00 C ATOM 971 C GLN A 65 -4.933 -5.571 1.912 1.00 0.00 C ATOM 972 O GLN A 65 -6.017 -5.060 1.630 1.00 0.00 O ATOM 973 CB GLN A 65 -4.556 -5.235 4.362 1.00 0.00 C ATOM 974 CG GLN A 65 -3.464 -5.490 5.388 1.00 0.00 C ATOM 975 CD GLN A 65 -4.018 -5.854 6.752 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.812 -6.786 6.883 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.600 -5.120 7.776 1.00 0.00 N ATOM 0 H GLN A 65 -4.803 -3.012 2.697 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.028 -5.375 2.860 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.166 -4.394 4.694 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.211 -6.105 4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.820 -6.295 5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.841 -4.600 5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.941 -4.357 7.621 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.938 -5.319 8.718 1.00 0.00 H new ATOM 986 N ILE A 66 -4.486 -6.684 1.340 1.00 0.00 N ATOM 987 CA ILE A 66 -5.262 -7.385 0.324 1.00 0.00 C ATOM 988 C ILE A 66 -5.673 -8.772 0.807 1.00 0.00 C ATOM 989 O ILE A 66 -4.929 -9.741 0.648 1.00 0.00 O ATOM 990 CB ILE A 66 -4.473 -7.524 -0.991 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.954 -6.158 -1.446 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.345 -8.152 -2.068 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.681 -6.236 -2.260 1.00 0.00 C ATOM 0 H ILE A 66 -3.591 -7.120 1.563 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.155 -6.787 0.140 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.618 -8.177 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.725 -5.664 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.778 -5.535 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.773 -8.244 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.670 -9.140 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.218 -7.523 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.371 -5.231 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.896 -6.701 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.858 -6.832 -3.155 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.861 -8.860 1.394 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.373 -10.129 1.899 1.00 0.00 C ATOM 1007 C CYS A 67 -7.789 -11.043 0.750 1.00 0.00 C ATOM 1008 O CYS A 67 -8.793 -10.799 0.082 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.560 -9.890 2.832 1.00 0.00 C ATOM 1010 SG CYS A 67 -8.096 -9.594 4.555 1.00 0.00 S ATOM 0 H CYS A 67 -7.488 -8.068 1.532 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.575 -10.618 2.458 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -9.128 -9.034 2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.223 -10.754 2.789 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.167 -9.400 5.266 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.009 -12.096 0.526 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.312 -13.029 -0.544 1.00 0.00 C ATOM 1018 C GLY A 68 -6.297 -12.973 -1.668 1.00 0.00 C ATOM 1019 O GLY A 68 -6.647 -12.699 -2.817 1.00 0.00 O ATOM 0 H GLY A 68 -6.173 -12.320 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.347 -14.041 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.303 -12.811 -0.942 1.00 0.00 H new ATOM 1023 N LEU A 69 -5.036 -13.230 -1.338 1.00 0.00 N ATOM 1024 CA LEU A 69 -3.966 -13.206 -2.328 1.00 0.00 C ATOM 1025 C LEU A 69 -4.086 -14.384 -3.289 1.00 0.00 C ATOM 1026 O LEU A 69 -4.650 -15.423 -2.945 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.602 -13.235 -1.635 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.135 -11.917 -1.017 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.866 -12.128 -0.206 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.912 -10.870 -2.098 1.00 0.00 C ATOM 0 H LEU A 69 -4.730 -13.457 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.056 -12.283 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.632 -13.991 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.855 -13.558 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.915 -11.556 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.548 -11.179 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.060 -12.844 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.079 -12.512 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.580 -9.939 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.152 -11.223 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.845 -10.698 -2.635 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.551 -14.216 -4.494 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.595 -15.267 -5.503 1.00 0.00 C ATOM 1044 C ALA A 70 -2.600 -14.992 -6.625 1.00 0.00 C ATOM 1045 O ALA A 70 -2.233 -13.844 -6.875 1.00 0.00 O ATOM 1046 CB ALA A 70 -5.003 -15.401 -6.064 1.00 0.00 C ATOM 0 H ALA A 70 -3.082 -13.362 -4.795 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.315 -16.207 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.021 -16.189 -6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.693 -15.652 -5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.304 -14.458 -6.519 1.00 0.00 H new ATOM 1052 N MET A 71 -2.166 -16.053 -7.298 1.00 0.00 N ATOM 1053 CA MET A 71 -1.213 -15.925 -8.395 1.00 0.00 C ATOM 1054 C MET A 71 -1.456 -14.639 -9.178 1.00 0.00 C ATOM 1055 O MET A 71 -0.518 -14.025 -9.687 1.00 0.00 O ATOM 1056 CB MET A 71 -1.314 -17.132 -9.330 1.00 0.00 C ATOM 1057 CG MET A 71 -0.913 -18.443 -8.674 1.00 0.00 C ATOM 1058 SD MET A 71 0.858 -18.762 -8.785 1.00 0.00 S ATOM 1059 CE MET A 71 1.416 -18.126 -7.206 1.00 0.00 C ATOM 0 H MET A 71 -2.459 -17.010 -7.103 1.00 0.00 H new ATOM 0 HA MET A 71 -0.210 -15.887 -7.970 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.338 -17.215 -9.693 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.680 -16.962 -10.200 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.210 -18.426 -7.625 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.456 -19.262 -9.146 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.296 -18.681 -6.881 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.670 -17.071 -7.308 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.622 -18.239 -6.467 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.719 -14.237 -9.271 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.083 -13.023 -9.991 1.00 0.00 C ATOM 1071 C ALA A 72 -2.545 -11.783 -9.284 1.00 0.00 C ATOM 1072 O ALA A 72 -1.818 -10.986 -9.877 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.595 -12.932 -10.141 1.00 0.00 C ATOM 0 H ALA A 72 -3.507 -14.734 -8.857 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.632 -13.069 -10.982 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.853 -12.021 -10.680 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.958 -13.797 -10.696 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.058 -12.913 -9.154 1.00 0.00 H new ATOM 1079 N ASP A 73 -2.907 -11.627 -8.016 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.459 -10.484 -7.228 1.00 0.00 C ATOM 1081 C ASP A 73 -1.027 -10.102 -7.589 1.00 0.00 C ATOM 1082 O ASP A 73 -0.699 -8.922 -7.706 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.556 -10.797 -5.735 1.00 0.00 C ATOM 1084 CG ASP A 73 -3.956 -10.594 -5.190 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.368 -9.425 -5.032 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.640 -11.603 -4.922 1.00 0.00 O ATOM 0 H ASP A 73 -3.509 -12.277 -7.511 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.109 -9.640 -7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.248 -11.828 -5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.860 -10.161 -5.188 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.178 -11.110 -7.764 1.00 0.00 N ATOM 1092 CA ALA A 74 1.219 -10.881 -8.113 1.00 0.00 C ATOM 1093 C ALA A 74 1.338 -10.126 -9.432 1.00 0.00 C ATOM 1094 O ALA A 74 1.099 -10.684 -10.502 1.00 0.00 O ATOM 1095 CB ALA A 74 1.968 -12.203 -8.189 1.00 0.00 C ATOM 0 H ALA A 74 -0.433 -12.093 -7.670 1.00 0.00 H new ATOM 0 HA ALA A 74 1.667 -10.267 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.010 -12.017 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.921 -12.704 -7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.511 -12.837 -8.949 1.00 0.00 H new ATOM 1101 N GLY A 75 1.710 -8.852 -9.349 1.00 0.00 N ATOM 1102 CA GLY A 75 1.854 -8.041 -10.544 1.00 0.00 C ATOM 1103 C GLY A 75 2.578 -6.737 -10.276 1.00 0.00 C ATOM 1104 O GLY A 75 3.781 -6.729 -10.020 1.00 0.00 O ATOM 0 H GLY A 75 1.914 -8.367 -8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.399 -8.607 -11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.867 -7.827 -10.955 1.00 0.00 H new ATOM 1108 N GLU A 76 1.842 -5.631 -10.335 1.00 0.00 N ATOM 1109 CA GLU A 76 2.423 -4.314 -10.099 1.00 0.00 C ATOM 1110 C GLU A 76 1.391 -3.364 -9.499 1.00 0.00 C ATOM 1111 O GLU A 76 0.450 -2.946 -10.173 1.00 0.00 O ATOM 1112 CB GLU A 76 2.970 -3.732 -11.404 1.00 0.00 C ATOM 1113 CG GLU A 76 3.384 -2.274 -11.294 1.00 0.00 C ATOM 1114 CD GLU A 76 4.158 -1.794 -12.507 1.00 0.00 C ATOM 1115 OE1 GLU A 76 3.574 -1.772 -13.611 1.00 0.00 O ATOM 1116 OE2 GLU A 76 5.345 -1.441 -12.352 1.00 0.00 O ATOM 0 H GLU A 76 0.844 -5.621 -10.544 1.00 0.00 H new ATOM 0 HA GLU A 76 3.242 -4.428 -9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.829 -4.322 -11.723 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.211 -3.828 -12.181 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.495 -1.656 -11.167 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.995 -2.140 -10.401 1.00 0.00 H new ATOM 1123 N TYR A 77 1.575 -3.028 -8.227 1.00 0.00 N ATOM 1124 CA TYR A 77 0.659 -2.130 -7.534 1.00 0.00 C ATOM 1125 C TYR A 77 1.172 -0.693 -7.572 1.00 0.00 C ATOM 1126 O TYR A 77 2.373 -0.447 -7.454 1.00 0.00 O ATOM 1127 CB TYR A 77 0.472 -2.578 -6.083 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.277 -3.885 -5.945 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.313 -5.088 -6.315 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.573 -3.916 -5.447 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.367 -6.284 -6.191 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.260 -5.108 -5.318 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.653 -6.289 -5.692 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.335 -7.478 -5.567 1.00 0.00 O ATOM 0 H TYR A 77 2.350 -3.364 -7.655 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.303 -2.167 -8.046 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.451 -2.678 -5.613 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.065 -1.802 -5.538 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.320 -5.088 -6.706 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.052 -2.993 -5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.106 -7.210 -6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.267 -5.115 -4.927 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.852 -8.184 -6.046 1.00 0.00 H new ATOM 1144 N LEU A 78 0.252 0.252 -7.735 1.00 0.00 N ATOM 1145 CA LEU A 78 0.609 1.665 -7.788 1.00 0.00 C ATOM 1146 C LEU A 78 -0.136 2.455 -6.717 1.00 0.00 C ATOM 1147 O LEU A 78 -1.337 2.268 -6.517 1.00 0.00 O ATOM 1148 CB LEU A 78 0.297 2.239 -9.171 1.00 0.00 C ATOM 1149 CG LEU A 78 1.086 1.644 -10.338 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.352 0.448 -10.924 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.332 2.698 -11.408 1.00 0.00 C ATOM 0 H LEU A 78 -0.746 0.065 -7.833 1.00 0.00 H new ATOM 0 HA LEU A 78 1.679 1.751 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.766 2.100 -9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.479 3.313 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 78 2.051 1.304 -9.963 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.928 0.038 -11.753 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.228 -0.315 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.628 0.763 -11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.895 2.257 -12.231 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.377 3.069 -11.780 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.901 3.524 -10.981 1.00 0.00 H new ATOM 1163 N CYS A 79 0.582 3.339 -6.034 1.00 0.00 N ATOM 1164 CA CYS A 79 -0.012 4.160 -4.985 1.00 0.00 C ATOM 1165 C CYS A 79 -0.023 5.631 -5.385 1.00 0.00 C ATOM 1166 O CYS A 79 1.024 6.275 -5.453 1.00 0.00 O ATOM 1167 CB CYS A 79 0.756 3.982 -3.674 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.214 4.353 -2.194 1.00 0.00 S ATOM 0 H CYS A 79 1.576 3.506 -6.188 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.042 3.834 -4.843 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.115 2.955 -3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.635 4.626 -3.690 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.795 3.269 -1.773 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.214 6.158 -5.652 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.363 7.553 -6.047 1.00 0.00 C ATOM 1176 C VAL A 80 -1.593 8.446 -4.834 1.00 0.00 C ATOM 1177 O VAL A 80 -2.408 8.133 -3.965 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.531 7.736 -7.035 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.483 9.118 -7.668 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.501 6.651 -8.101 1.00 0.00 C ATOM 0 H VAL A 80 -2.090 5.639 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.434 7.844 -6.537 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.468 7.647 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.315 9.229 -8.363 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.556 9.877 -6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.543 9.239 -8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.333 6.795 -8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.561 6.706 -8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.588 5.673 -7.627 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.871 9.560 -4.780 1.00 0.00 N ATOM 1191 CA CYS A 81 -0.996 10.500 -3.672 1.00 0.00 C ATOM 1192 C CYS A 81 -1.409 11.880 -4.173 1.00 0.00 C ATOM 1193 O CYS A 81 -1.244 12.880 -3.477 1.00 0.00 O ATOM 1194 CB CYS A 81 0.324 10.596 -2.906 1.00 0.00 C ATOM 1195 SG CYS A 81 1.596 11.568 -3.747 1.00 0.00 S ATOM 0 H CYS A 81 -0.193 9.834 -5.491 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.771 10.131 -3.001 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.133 11.037 -1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.706 9.590 -2.733 1.00 0.00 H new ATOM 0 HG CYS A 81 1.649 11.222 -4.999 1.00 0.00 H new ATOM 1201 N GLY A 82 -1.946 11.926 -5.389 1.00 0.00 N ATOM 1202 CA GLY A 82 -2.372 13.188 -5.964 1.00 0.00 C ATOM 1203 C GLY A 82 -1.633 13.521 -7.245 1.00 0.00 C ATOM 1204 O GLY A 82 -2.054 13.126 -8.332 1.00 0.00 O ATOM 0 H GLY A 82 -2.093 11.112 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.442 13.149 -6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.213 13.986 -5.239 1.00 0.00 H new ATOM 1208 N GLN A 83 -0.530 14.251 -7.117 1.00 0.00 N ATOM 1209 CA GLN A 83 0.268 14.638 -8.275 1.00 0.00 C ATOM 1210 C GLN A 83 1.332 13.588 -8.579 1.00 0.00 C ATOM 1211 O GLN A 83 1.667 13.350 -9.738 1.00 0.00 O ATOM 1212 CB GLN A 83 0.929 15.996 -8.034 1.00 0.00 C ATOM 1213 CG GLN A 83 -0.043 17.164 -8.090 1.00 0.00 C ATOM 1214 CD GLN A 83 0.649 18.488 -8.349 1.00 0.00 C ATOM 1215 OE1 GLN A 83 1.004 19.209 -7.416 1.00 0.00 O ATOM 1216 NE2 GLN A 83 0.846 18.814 -9.621 1.00 0.00 N ATOM 0 H GLN A 83 -0.169 14.586 -6.224 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.398 14.713 -9.135 1.00 0.00 H new ATOM 0 HB2 GLN A 83 1.416 15.986 -7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.710 16.148 -8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.778 16.983 -8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.590 17.222 -7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.535 18.186 -10.362 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.308 19.692 -9.857 1.00 0.00 H new ATOM 1225 N GLU A 84 1.859 12.965 -7.529 1.00 0.00 N ATOM 1226 CA GLU A 84 2.886 11.942 -7.685 1.00 0.00 C ATOM 1227 C GLU A 84 2.303 10.549 -7.467 1.00 0.00 C ATOM 1228 O GLU A 84 1.337 10.377 -6.723 1.00 0.00 O ATOM 1229 CB GLU A 84 4.033 12.186 -6.703 1.00 0.00 C ATOM 1230 CG GLU A 84 4.726 13.525 -6.896 1.00 0.00 C ATOM 1231 CD GLU A 84 5.095 13.786 -8.344 1.00 0.00 C ATOM 1232 OE1 GLU A 84 4.176 14.000 -9.162 1.00 0.00 O ATOM 1233 OE2 GLU A 84 6.304 13.778 -8.657 1.00 0.00 O ATOM 0 H GLU A 84 1.592 13.151 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 84 3.270 12.001 -8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.647 12.130 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.767 11.388 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.073 14.323 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.627 13.555 -6.284 1.00 0.00 H new ATOM 1240 N ARG A 85 2.897 9.557 -8.123 1.00 0.00 N ATOM 1241 CA ARG A 85 2.436 8.179 -8.003 1.00 0.00 C ATOM 1242 C ARG A 85 3.600 7.202 -8.146 1.00 0.00 C ATOM 1243 O ARG A 85 4.439 7.344 -9.036 1.00 0.00 O ATOM 1244 CB ARG A 85 1.373 7.880 -9.062 1.00 0.00 C ATOM 1245 CG ARG A 85 1.838 8.147 -10.484 1.00 0.00 C ATOM 1246 CD ARG A 85 0.832 7.636 -11.504 1.00 0.00 C ATOM 1247 NE ARG A 85 1.289 7.846 -12.875 1.00 0.00 N ATOM 1248 CZ ARG A 85 0.763 7.229 -13.928 1.00 0.00 C ATOM 1249 NH1 ARG A 85 -0.234 6.370 -13.766 1.00 0.00 N ATOM 1250 NH2 ARG A 85 1.233 7.473 -15.144 1.00 0.00 N ATOM 0 H ARG A 85 3.698 9.682 -8.742 1.00 0.00 H new ATOM 0 HA ARG A 85 1.998 8.054 -7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.072 6.836 -8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.489 8.484 -8.858 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.988 9.218 -10.624 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.802 7.666 -10.649 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.657 6.573 -11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.122 8.143 -11.358 1.00 0.00 H new ATOM 0 HE ARG A 85 2.054 8.502 -13.033 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.598 6.182 -12.832 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.637 5.897 -14.575 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.999 8.135 -15.272 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.829 6.999 -15.952 1.00 0.00 H new ATOM 1264 N THR A 86 3.645 6.210 -7.262 1.00 0.00 N ATOM 1265 CA THR A 86 4.706 5.211 -7.289 1.00 0.00 C ATOM 1266 C THR A 86 4.147 3.822 -7.573 1.00 0.00 C ATOM 1267 O THR A 86 2.943 3.591 -7.458 1.00 0.00 O ATOM 1268 CB THR A 86 5.479 5.177 -5.956 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.485 4.160 -5.999 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.537 4.917 -4.791 1.00 0.00 C ATOM 0 H THR A 86 2.959 6.077 -6.519 1.00 0.00 H new ATOM 0 HA THR A 86 5.388 5.496 -8.090 1.00 0.00 H new ATOM 0 HB THR A 86 5.952 6.148 -5.810 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.973 4.146 -5.149 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.105 4.897 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.790 5.709 -4.743 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.040 3.958 -4.932 1.00 0.00 H new ATOM 1278 N SER A 87 5.028 2.899 -7.946 1.00 0.00 N ATOM 1279 CA SER A 87 4.621 1.532 -8.250 1.00 0.00 C ATOM 1280 C SER A 87 5.586 0.527 -7.631 1.00 0.00 C ATOM 1281 O SER A 87 6.695 0.880 -7.231 1.00 0.00 O ATOM 1282 CB SER A 87 4.552 1.324 -9.765 1.00 0.00 C ATOM 1283 OG SER A 87 5.840 1.401 -10.349 1.00 0.00 O ATOM 0 H SER A 87 6.028 3.073 -8.045 1.00 0.00 H new ATOM 0 HA SER A 87 3.632 1.370 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.108 0.352 -9.982 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.902 2.078 -10.210 1.00 0.00 H new ATOM 0 HG SER A 87 5.769 1.263 -11.317 1.00 0.00 H new ATOM 1289 N ALA A 88 5.156 -0.728 -7.554 1.00 0.00 N ATOM 1290 CA ALA A 88 5.981 -1.786 -6.985 1.00 0.00 C ATOM 1291 C ALA A 88 5.695 -3.126 -7.655 1.00 0.00 C ATOM 1292 O ALA A 88 4.875 -3.213 -8.569 1.00 0.00 O ATOM 1293 CB ALA A 88 5.753 -1.884 -5.484 1.00 0.00 C ATOM 0 H ALA A 88 4.240 -1.037 -7.879 1.00 0.00 H new ATOM 0 HA ALA A 88 7.026 -1.535 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.376 -2.678 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.016 -0.936 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.704 -2.107 -5.289 1.00 0.00 H new ATOM 1299 N THR A 89 6.377 -4.170 -7.194 1.00 0.00 N ATOM 1300 CA THR A 89 6.198 -5.505 -7.749 1.00 0.00 C ATOM 1301 C THR A 89 5.996 -6.537 -6.646 1.00 0.00 C ATOM 1302 O THR A 89 6.934 -6.886 -5.929 1.00 0.00 O ATOM 1303 CB THR A 89 7.404 -5.922 -8.612 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.741 -4.870 -9.523 1.00 0.00 O ATOM 1305 CG2 THR A 89 7.101 -7.195 -9.387 1.00 0.00 C ATOM 0 H THR A 89 7.059 -4.116 -6.437 1.00 0.00 H new ATOM 0 HA THR A 89 5.307 -5.469 -8.376 1.00 0.00 H new ATOM 0 HB THR A 89 8.249 -6.112 -7.950 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.510 -5.142 -10.067 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.967 -7.469 -9.989 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.874 -8.001 -8.689 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.244 -7.028 -10.040 1.00 0.00 H new ATOM 1313 N LEU A 90 4.766 -7.023 -6.514 1.00 0.00 N ATOM 1314 CA LEU A 90 4.441 -8.017 -5.497 1.00 0.00 C ATOM 1315 C LEU A 90 4.534 -9.429 -6.066 1.00 0.00 C ATOM 1316 O LEU A 90 4.291 -9.649 -7.253 1.00 0.00 O ATOM 1317 CB LEU A 90 3.036 -7.769 -4.944 1.00 0.00 C ATOM 1318 CG LEU A 90 2.499 -8.826 -3.979 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.136 -8.670 -2.607 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.983 -8.735 -3.879 1.00 0.00 C ATOM 0 H LEU A 90 3.978 -6.745 -7.099 1.00 0.00 H new ATOM 0 HA LEU A 90 5.165 -7.923 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.033 -6.805 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.346 -7.688 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 90 2.759 -9.811 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.741 -9.431 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.216 -8.786 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.907 -7.681 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.618 -9.495 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.701 -7.747 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.543 -8.898 -4.863 1.00 0.00 H new ATOM 1332 N THR A 91 4.886 -10.384 -5.211 1.00 0.00 N ATOM 1333 CA THR A 91 5.010 -11.775 -5.628 1.00 0.00 C ATOM 1334 C THR A 91 4.163 -12.690 -4.751 1.00 0.00 C ATOM 1335 O THR A 91 4.123 -12.533 -3.530 1.00 0.00 O ATOM 1336 CB THR A 91 6.475 -12.248 -5.578 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.251 -11.543 -6.553 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.570 -13.745 -5.833 1.00 0.00 C ATOM 0 H THR A 91 5.090 -10.219 -4.225 1.00 0.00 H new ATOM 0 HA THR A 91 4.653 -11.829 -6.656 1.00 0.00 H new ATOM 0 HB THR A 91 6.867 -12.040 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.181 -11.848 -6.514 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.614 -14.055 -5.793 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.003 -14.280 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.161 -13.973 -6.817 1.00 0.00 H new ATOM 1346 N ILE A 92 3.486 -13.645 -5.380 1.00 0.00 N ATOM 1347 CA ILE A 92 2.641 -14.586 -4.655 1.00 0.00 C ATOM 1348 C ILE A 92 3.242 -15.988 -4.669 1.00 0.00 C ATOM 1349 O ILE A 92 3.662 -16.484 -5.714 1.00 0.00 O ATOM 1350 CB ILE A 92 1.222 -14.642 -5.251 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.613 -13.239 -5.306 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.341 -15.575 -4.434 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.386 -12.625 -3.943 1.00 0.00 C ATOM 0 H ILE A 92 3.506 -13.787 -6.390 1.00 0.00 H new ATOM 0 HA ILE A 92 2.581 -14.229 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 92 1.286 -15.031 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.270 -12.589 -5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.337 -13.285 -5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.659 -15.604 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.769 -16.578 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.281 -15.213 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.047 -11.632 -4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.296 -13.254 -3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.337 -12.547 -3.416 1.00 0.00 H new ATOM 1365 N ARG A 93 3.277 -16.622 -3.501 1.00 0.00 N ATOM 1366 CA ARG A 93 3.825 -17.967 -3.379 1.00 0.00 C ATOM 1367 C ARG A 93 2.709 -18.998 -3.237 1.00 0.00 C ATOM 1368 O ARG A 93 1.975 -19.001 -2.250 1.00 0.00 O ATOM 1369 CB ARG A 93 4.766 -18.050 -2.176 1.00 0.00 C ATOM 1370 CG ARG A 93 6.195 -17.637 -2.490 1.00 0.00 C ATOM 1371 CD ARG A 93 7.026 -18.822 -2.959 1.00 0.00 C ATOM 1372 NE ARG A 93 7.649 -19.529 -1.843 1.00 0.00 N ATOM 1373 CZ ARG A 93 8.107 -20.773 -1.925 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.012 -21.444 -3.064 1.00 0.00 N ATOM 1375 NH2 ARG A 93 8.661 -21.348 -0.865 1.00 0.00 N ATOM 0 H ARG A 93 2.932 -16.226 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 93 4.386 -18.187 -4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.380 -17.414 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.767 -19.072 -1.796 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.191 -16.866 -3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.652 -17.199 -1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.392 -19.512 -3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.799 -18.474 -3.645 1.00 0.00 H new ATOM 0 HE ARG A 93 7.737 -19.041 -0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.586 -21.005 -3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.365 -22.399 -3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.735 -20.835 0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.013 -22.303 -0.929 1.00 0.00 H new ATOM 1389 N ALA A 94 2.588 -19.872 -4.231 1.00 0.00 N ATOM 1390 CA ALA A 94 1.564 -20.908 -4.217 1.00 0.00 C ATOM 1391 C ALA A 94 1.565 -21.663 -2.892 1.00 0.00 C ATOM 1392 O ALA A 94 2.580 -22.235 -2.492 1.00 0.00 O ATOM 1393 CB ALA A 94 1.771 -21.872 -5.376 1.00 0.00 C ATOM 0 H ALA A 94 3.187 -19.883 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 94 0.593 -20.425 -4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.998 -22.641 -5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.712 -21.327 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.751 -22.340 -5.289 1.00 0.00 H new ATOM 1399 N LEU A 95 0.423 -21.660 -2.213 1.00 0.00 N ATOM 1400 CA LEU A 95 0.292 -22.344 -0.932 1.00 0.00 C ATOM 1401 C LEU A 95 0.890 -23.746 -1.000 1.00 0.00 C ATOM 1402 O LEU A 95 0.812 -24.432 -2.019 1.00 0.00 O ATOM 1403 CB LEU A 95 -1.179 -22.425 -0.522 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.780 -21.152 0.077 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -3.272 -21.082 -0.206 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -1.515 -21.090 1.574 1.00 0.00 C ATOM 0 H LEU A 95 -0.426 -21.191 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 95 0.840 -21.770 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.765 -22.702 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.290 -23.231 0.203 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.302 -20.292 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.682 -20.170 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.438 -21.078 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.767 -21.948 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.950 -20.178 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.965 -21.956 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.440 -21.092 1.754 1.00 0.00 H new ATOM 1418 N PRO A 96 1.499 -24.184 0.112 1.00 0.00 N ATOM 1419 CA PRO A 96 2.120 -25.509 0.205 1.00 0.00 C ATOM 1420 C PRO A 96 1.089 -26.633 0.210 1.00 0.00 C ATOM 1421 O PRO A 96 0.653 -27.083 1.269 1.00 0.00 O ATOM 1422 CB PRO A 96 2.863 -25.460 1.542 1.00 0.00 C ATOM 1423 CG PRO A 96 2.129 -24.443 2.346 1.00 0.00 C ATOM 1424 CD PRO A 96 1.630 -23.420 1.364 1.00 0.00 C ATOM 0 HA PRO A 96 2.764 -25.718 -0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.858 -26.433 2.034 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.907 -25.178 1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.301 -24.899 2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.784 -23.985 3.088 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.676 -22.995 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.329 -22.591 1.257 1.00 0.00 H new ATOM 1432 N SER A 97 0.704 -27.082 -0.981 1.00 0.00 N ATOM 1433 CA SER A 97 -0.278 -28.151 -1.114 1.00 0.00 C ATOM 1434 C SER A 97 -0.051 -28.941 -2.399 1.00 0.00 C ATOM 1435 O SER A 97 0.050 -28.368 -3.483 1.00 0.00 O ATOM 1436 CB SER A 97 -1.695 -27.575 -1.099 1.00 0.00 C ATOM 1437 OG SER A 97 -1.983 -26.897 -2.310 1.00 0.00 O ATOM 0 H SER A 97 1.058 -26.722 -1.867 1.00 0.00 H new ATOM 0 HA SER A 97 -0.159 -28.827 -0.267 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.416 -28.378 -0.948 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.803 -26.888 -0.260 1.00 0.00 H new ATOM 0 HG SER A 97 -1.421 -27.257 -3.028 1.00 0.00 H new ATOM 1443 N GLY A 98 0.028 -30.262 -2.269 1.00 0.00 N ATOM 1444 CA GLY A 98 0.243 -31.110 -3.426 1.00 0.00 C ATOM 1445 C GLY A 98 1.493 -30.734 -4.196 1.00 0.00 C ATOM 1446 O GLY A 98 1.429 -30.221 -5.314 1.00 0.00 O ATOM 0 H GLY A 98 -0.053 -30.760 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.318 -32.148 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.621 -31.043 -4.087 1.00 0.00 H new ATOM 1450 N PRO A 99 2.664 -30.990 -3.593 1.00 0.00 N ATOM 1451 CA PRO A 99 3.957 -30.682 -4.211 1.00 0.00 C ATOM 1452 C PRO A 99 4.260 -31.586 -5.401 1.00 0.00 C ATOM 1453 O PRO A 99 4.838 -32.661 -5.245 1.00 0.00 O ATOM 1454 CB PRO A 99 4.959 -30.932 -3.081 1.00 0.00 C ATOM 1455 CG PRO A 99 4.284 -31.913 -2.187 1.00 0.00 C ATOM 1456 CD PRO A 99 2.815 -31.601 -2.262 1.00 0.00 C ATOM 0 HA PRO A 99 3.987 -29.668 -4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.899 -31.328 -3.466 1.00 0.00 H new ATOM 0 HB3 PRO A 99 5.195 -30.010 -2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.483 -32.935 -2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.650 -31.824 -1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.207 -32.500 -2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.508 -30.919 -1.469 1.00 0.00 H new ATOM 1464 N SER A 100 3.868 -31.142 -6.591 1.00 0.00 N ATOM 1465 CA SER A 100 4.095 -31.913 -7.808 1.00 0.00 C ATOM 1466 C SER A 100 4.919 -31.112 -8.812 1.00 0.00 C ATOM 1467 O SER A 100 4.371 -30.398 -9.652 1.00 0.00 O ATOM 1468 CB SER A 100 2.761 -32.321 -8.435 1.00 0.00 C ATOM 1469 OG SER A 100 2.958 -33.212 -9.519 1.00 0.00 O ATOM 0 H SER A 100 3.392 -30.252 -6.738 1.00 0.00 H new ATOM 0 HA SER A 100 4.652 -32.811 -7.541 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.131 -32.794 -7.682 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.232 -31.433 -8.781 1.00 0.00 H new ATOM 0 HG SER A 100 2.090 -33.459 -9.901 1.00 0.00 H new ATOM 1475 N SER A 101 6.239 -31.236 -8.718 1.00 0.00 N ATOM 1476 CA SER A 101 7.139 -30.522 -9.615 1.00 0.00 C ATOM 1477 C SER A 101 7.093 -31.118 -11.019 1.00 0.00 C ATOM 1478 O SER A 101 7.176 -32.333 -11.193 1.00 0.00 O ATOM 1479 CB SER A 101 8.571 -30.566 -9.077 1.00 0.00 C ATOM 1480 OG SER A 101 9.028 -31.902 -8.953 1.00 0.00 O ATOM 0 H SER A 101 6.709 -31.824 -8.030 1.00 0.00 H new ATOM 0 HA SER A 101 6.810 -29.484 -9.669 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.231 -30.013 -9.745 1.00 0.00 H new ATOM 0 HB3 SER A 101 8.614 -30.072 -8.106 1.00 0.00 H new ATOM 0 HG SER A 101 9.946 -31.903 -8.609 1.00 0.00 H new ATOM 1486 N GLY A 102 6.960 -30.252 -12.019 1.00 0.00 N ATOM 1487 CA GLY A 102 6.905 -30.710 -13.395 1.00 0.00 C ATOM 1488 C GLY A 102 6.087 -29.790 -14.280 1.00 0.00 C ATOM 1489 O GLY A 102 5.353 -30.251 -15.154 1.00 0.00 O ATOM 0 H GLY A 102 6.889 -29.241 -11.901 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.918 -30.784 -13.791 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.477 -31.712 -13.424 1.00 0.00 H new TER 1493 GLY A 102