USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 541 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 9 CYS SG : rot 27:sc= 1.37 USER MOD Set 1.2: A 12 ASN :FLIP amide:sc= 1.33 F(o=1.8,f=2.7) USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0217 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 30:sc= 0.0834 USER MOD Single : A 5 SER OG : rot 32:sc= 0.603 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 138:sc= -0.64 (180deg=-2.02!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0511 USER MOD Single : A 32 TYR OH : rot 0:sc= -0.0192 USER MOD Single : A 35 GLN : amide:sc= -0.0029 X(o=-0.0029,f=0.045) USER MOD Single : A 45 THR OG1 : rot 68:sc= 0.194 USER MOD Single : A 48 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.15) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.987 USER MOD Single : A 54 GLN : amide:sc=-0.00202 X(o=-0.002,f=-0.18) USER MOD Single : A 55 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 26:sc= 0.0226 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.100 46.964 -13.821 1.00 0.00 N ATOM 2 CA GLY A 1 -8.517 47.002 -12.492 1.00 0.00 C ATOM 3 C GLY A 1 -7.174 46.303 -12.428 1.00 0.00 C ATOM 4 O GLY A 1 -6.442 46.258 -13.417 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.590 47.862 -14.011 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.348 46.824 -14.526 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.780 46.179 -13.879 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.398 48.040 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.201 46.533 -11.785 1.00 0.00 H new ATOM 8 N SER A 2 -6.848 45.757 -11.261 1.00 0.00 N ATOM 9 CA SER A 2 -5.580 45.062 -11.070 1.00 0.00 C ATOM 10 C SER A 2 -5.795 43.724 -10.369 1.00 0.00 C ATOM 11 O SER A 2 -6.844 43.485 -9.770 1.00 0.00 O ATOM 12 CB SER A 2 -4.617 45.928 -10.256 1.00 0.00 C ATOM 13 OG SER A 2 -5.152 46.222 -8.977 1.00 0.00 O ATOM 0 H SER A 2 -7.444 45.782 -10.434 1.00 0.00 H new ATOM 0 HA SER A 2 -5.146 44.873 -12.052 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.664 45.411 -10.145 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.416 46.856 -10.792 1.00 0.00 H new ATOM 0 HG SER A 2 -4.517 46.775 -8.476 1.00 0.00 H new ATOM 19 N SER A 3 -4.793 42.854 -10.449 1.00 0.00 N ATOM 20 CA SER A 3 -4.873 41.538 -9.826 1.00 0.00 C ATOM 21 C SER A 3 -3.493 41.066 -9.375 1.00 0.00 C ATOM 22 O SER A 3 -2.486 41.347 -10.023 1.00 0.00 O ATOM 23 CB SER A 3 -5.477 40.525 -10.800 1.00 0.00 C ATOM 24 OG SER A 3 -6.889 40.486 -10.684 1.00 0.00 O ATOM 0 H SER A 3 -3.917 43.037 -10.939 1.00 0.00 H new ATOM 0 HA SER A 3 -5.516 41.617 -8.949 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.200 40.787 -11.821 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.065 39.535 -10.602 1.00 0.00 H new ATOM 0 HG SER A 3 -7.218 41.364 -10.400 1.00 0.00 H new ATOM 30 N GLY A 4 -3.457 40.347 -8.257 1.00 0.00 N ATOM 31 CA GLY A 4 -2.198 39.847 -7.737 1.00 0.00 C ATOM 32 C GLY A 4 -2.277 39.495 -6.265 1.00 0.00 C ATOM 33 O GLY A 4 -2.098 40.356 -5.404 1.00 0.00 O ATOM 0 H GLY A 4 -4.277 40.102 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.900 38.964 -8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.423 40.598 -7.886 1.00 0.00 H new ATOM 37 N SER A 5 -2.548 38.227 -5.975 1.00 0.00 N ATOM 38 CA SER A 5 -2.656 37.764 -4.597 1.00 0.00 C ATOM 39 C SER A 5 -2.463 36.252 -4.515 1.00 0.00 C ATOM 40 O SER A 5 -3.185 35.488 -5.154 1.00 0.00 O ATOM 41 CB SER A 5 -4.017 38.148 -4.013 1.00 0.00 C ATOM 42 OG SER A 5 -3.974 39.437 -3.425 1.00 0.00 O ATOM 0 H SER A 5 -2.697 37.502 -6.676 1.00 0.00 H new ATOM 0 HA SER A 5 -1.870 38.245 -4.015 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.772 38.128 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.316 37.413 -3.265 1.00 0.00 H new ATOM 0 HG SER A 5 -3.337 39.999 -3.914 1.00 0.00 H new ATOM 48 N SER A 6 -1.484 35.830 -3.722 1.00 0.00 N ATOM 49 CA SER A 6 -1.192 34.410 -3.558 1.00 0.00 C ATOM 50 C SER A 6 -1.208 34.019 -2.083 1.00 0.00 C ATOM 51 O SER A 6 -1.295 34.875 -1.203 1.00 0.00 O ATOM 52 CB SER A 6 0.168 34.073 -4.172 1.00 0.00 C ATOM 53 OG SER A 6 0.077 33.959 -5.581 1.00 0.00 O ATOM 0 H SER A 6 -0.880 36.450 -3.183 1.00 0.00 H new ATOM 0 HA SER A 6 -1.966 33.843 -4.075 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.890 34.848 -3.913 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.539 33.138 -3.752 1.00 0.00 H new ATOM 0 HG SER A 6 0.959 33.745 -5.950 1.00 0.00 H new ATOM 59 N GLY A 7 -1.124 32.719 -1.821 1.00 0.00 N ATOM 60 CA GLY A 7 -1.130 32.236 -0.452 1.00 0.00 C ATOM 61 C GLY A 7 -0.048 31.206 -0.196 1.00 0.00 C ATOM 62 O GLY A 7 0.455 30.560 -1.115 1.00 0.00 O ATOM 0 H GLY A 7 -1.052 31.991 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.994 33.077 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.103 31.799 -0.228 1.00 0.00 H new ATOM 66 N PRO A 8 0.328 31.043 1.081 1.00 0.00 N ATOM 67 CA PRO A 8 1.363 30.087 1.486 1.00 0.00 C ATOM 68 C PRO A 8 0.908 28.640 1.333 1.00 0.00 C ATOM 69 O PRO A 8 -0.287 28.366 1.210 1.00 0.00 O ATOM 70 CB PRO A 8 1.598 30.421 2.961 1.00 0.00 C ATOM 71 CG PRO A 8 0.321 31.039 3.417 1.00 0.00 C ATOM 72 CD PRO A 8 -0.228 31.780 2.229 1.00 0.00 C ATOM 0 HA PRO A 8 2.258 30.170 0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.833 29.526 3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.436 31.107 3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.380 30.278 3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.492 31.716 4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.318 31.774 2.220 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.085 32.824 2.226 1.00 0.00 H new ATOM 80 N CYS A 9 1.865 27.719 1.343 1.00 0.00 N ATOM 81 CA CYS A 9 1.561 26.299 1.205 1.00 0.00 C ATOM 82 C CYS A 9 1.979 25.530 2.454 1.00 0.00 C ATOM 83 O CYS A 9 3.124 25.620 2.896 1.00 0.00 O ATOM 84 CB CYS A 9 2.266 25.723 -0.023 1.00 0.00 C ATOM 85 SG CYS A 9 4.070 25.747 0.082 1.00 0.00 S ATOM 0 H CYS A 9 2.858 27.930 1.445 1.00 0.00 H new ATOM 0 HA CYS A 9 0.483 26.193 1.079 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.935 24.695 -0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.957 26.286 -0.904 1.00 0.00 H new ATOM 0 HG CYS A 9 4.433 25.705 1.330 1.00 0.00 H new ATOM 91 N TYR A 10 1.042 24.776 3.019 1.00 0.00 N ATOM 92 CA TYR A 10 1.312 23.994 4.220 1.00 0.00 C ATOM 93 C TYR A 10 1.815 22.600 3.860 1.00 0.00 C ATOM 94 O TYR A 10 2.851 22.156 4.355 1.00 0.00 O ATOM 95 CB TYR A 10 0.051 23.888 5.079 1.00 0.00 C ATOM 96 CG TYR A 10 -0.152 25.066 6.005 1.00 0.00 C ATOM 97 CD1 TYR A 10 -0.760 26.232 5.555 1.00 0.00 C ATOM 98 CD2 TYR A 10 0.263 25.012 7.330 1.00 0.00 C ATOM 99 CE1 TYR A 10 -0.947 27.310 6.398 1.00 0.00 C ATOM 100 CE2 TYR A 10 0.078 26.086 8.180 1.00 0.00 C ATOM 101 CZ TYR A 10 -0.526 27.233 7.709 1.00 0.00 C ATOM 102 OH TYR A 10 -0.712 28.304 8.552 1.00 0.00 O ATOM 0 H TYR A 10 0.089 24.690 2.665 1.00 0.00 H new ATOM 0 HA TYR A 10 2.089 24.505 4.789 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.817 23.796 4.426 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.101 22.975 5.672 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.092 26.296 4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.738 24.116 7.702 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.421 28.209 6.032 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.405 26.027 9.208 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.360 28.086 9.440 1.00 0.00 H new ATOM 112 N GLU A 11 1.074 21.915 2.995 1.00 0.00 N ATOM 113 CA GLU A 11 1.444 20.570 2.569 1.00 0.00 C ATOM 114 C GLU A 11 1.423 20.457 1.048 1.00 0.00 C ATOM 115 O GLU A 11 0.359 20.449 0.430 1.00 0.00 O ATOM 116 CB GLU A 11 0.496 19.538 3.182 1.00 0.00 C ATOM 117 CG GLU A 11 0.985 18.106 3.046 1.00 0.00 C ATOM 118 CD GLU A 11 2.104 17.777 4.015 1.00 0.00 C ATOM 119 OE1 GLU A 11 3.146 18.463 3.974 1.00 0.00 O ATOM 120 OE2 GLU A 11 1.937 16.833 4.815 1.00 0.00 O ATOM 0 H GLU A 11 0.214 22.269 2.575 1.00 0.00 H new ATOM 0 HA GLU A 11 2.458 20.372 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.357 19.767 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.481 19.626 2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.152 17.424 3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.332 17.940 2.026 1.00 0.00 H new ATOM 127 N ASN A 12 2.607 20.370 0.450 1.00 0.00 N ATOM 128 CA ASN A 12 2.725 20.258 -0.999 1.00 0.00 C ATOM 129 C ASN A 12 2.492 18.820 -1.455 1.00 0.00 C ATOM 130 O ASN A 12 2.284 17.924 -0.637 1.00 0.00 O ATOM 131 CB ASN A 12 4.105 20.732 -1.457 1.00 0.00 C ATOM 132 CG ASN A 12 4.255 22.239 -1.375 1.00 0.00 C ATOM 133 OD1 ASN A 12 3.894 22.929 -2.451 1.00 0.00 O flip ATOM 134 ND2 ASN A 12 4.691 22.776 -0.357 1.00 0.00 N flip ATOM 0 H ASN A 12 3.498 20.375 0.947 1.00 0.00 H new ATOM 0 HA ASN A 12 1.962 20.892 -1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.871 20.259 -0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.275 20.408 -2.484 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.956 22.206 0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.787 23.791 -0.317 1.00 0.00 H new ATOM 141 N LYS A 13 2.528 18.608 -2.766 1.00 0.00 N ATOM 142 CA LYS A 13 2.323 17.280 -3.332 1.00 0.00 C ATOM 143 C LYS A 13 3.394 16.960 -4.370 1.00 0.00 C ATOM 144 O LYS A 13 3.178 17.129 -5.571 1.00 0.00 O ATOM 145 CB LYS A 13 0.935 17.183 -3.968 1.00 0.00 C ATOM 146 CG LYS A 13 0.628 18.315 -4.933 1.00 0.00 C ATOM 147 CD LYS A 13 0.078 19.532 -4.207 1.00 0.00 C ATOM 148 CE LYS A 13 -1.416 19.402 -3.953 1.00 0.00 C ATOM 149 NZ LYS A 13 -1.702 18.672 -2.687 1.00 0.00 N ATOM 0 H LYS A 13 2.697 19.339 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 13 2.397 16.552 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.852 16.233 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.183 17.175 -3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.534 18.591 -5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.094 17.976 -5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.600 19.657 -3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.271 20.427 -4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.865 20.394 -3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.882 18.878 -4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.477 19.146 -2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.978 17.693 -2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.851 18.666 -2.090 1.00 0.00 H new ATOM 163 N PHE A 14 4.547 16.495 -3.901 1.00 0.00 N ATOM 164 CA PHE A 14 5.651 16.151 -4.790 1.00 0.00 C ATOM 165 C PHE A 14 5.770 14.638 -4.948 1.00 0.00 C ATOM 166 O PHE A 14 6.428 14.149 -5.866 1.00 0.00 O ATOM 167 CB PHE A 14 6.964 16.723 -4.252 1.00 0.00 C ATOM 168 CG PHE A 14 8.178 16.232 -4.987 1.00 0.00 C ATOM 169 CD1 PHE A 14 8.610 16.869 -6.140 1.00 0.00 C ATOM 170 CD2 PHE A 14 8.887 15.135 -4.526 1.00 0.00 C ATOM 171 CE1 PHE A 14 9.726 16.418 -6.819 1.00 0.00 C ATOM 172 CE2 PHE A 14 10.004 14.680 -5.201 1.00 0.00 C ATOM 173 CZ PHE A 14 10.425 15.324 -6.349 1.00 0.00 C ATOM 0 H PHE A 14 4.741 16.348 -2.911 1.00 0.00 H new ATOM 0 HA PHE A 14 5.446 16.586 -5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.928 17.811 -4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.058 16.464 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.069 17.727 -6.511 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.563 14.629 -3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.051 16.921 -7.717 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.547 13.822 -4.832 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.299 14.972 -6.877 1.00 0.00 H new ATOM 183 N ALA A 15 5.127 13.902 -4.047 1.00 0.00 N ATOM 184 CA ALA A 15 5.159 12.446 -4.087 1.00 0.00 C ATOM 185 C ALA A 15 4.205 11.847 -3.059 1.00 0.00 C ATOM 186 O ALA A 15 3.963 12.417 -1.995 1.00 0.00 O ATOM 187 CB ALA A 15 6.575 11.942 -3.851 1.00 0.00 C ATOM 0 H ALA A 15 4.578 14.291 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 15 4.832 12.128 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.584 10.853 -3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.234 12.333 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.923 12.278 -2.874 1.00 0.00 H new ATOM 193 N PRO A 16 3.648 10.670 -3.383 1.00 0.00 N ATOM 194 CA PRO A 16 2.711 9.969 -2.500 1.00 0.00 C ATOM 195 C PRO A 16 3.392 9.416 -1.253 1.00 0.00 C ATOM 196 O PRO A 16 4.610 9.241 -1.226 1.00 0.00 O ATOM 197 CB PRO A 16 2.186 8.828 -3.375 1.00 0.00 C ATOM 198 CG PRO A 16 3.265 8.591 -4.375 1.00 0.00 C ATOM 199 CD PRO A 16 3.891 9.934 -4.634 1.00 0.00 C ATOM 0 HA PRO A 16 1.930 10.631 -2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.991 7.933 -2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.249 9.100 -3.861 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.002 7.884 -3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.860 8.166 -5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.956 9.846 -4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.434 10.432 -5.489 1.00 0.00 H new ATOM 207 N ARG A 17 2.598 9.141 -0.224 1.00 0.00 N ATOM 208 CA ARG A 17 3.125 8.607 1.027 1.00 0.00 C ATOM 209 C ARG A 17 2.353 7.364 1.456 1.00 0.00 C ATOM 210 O ARG A 17 1.127 7.315 1.352 1.00 0.00 O ATOM 211 CB ARG A 17 3.058 9.668 2.127 1.00 0.00 C ATOM 212 CG ARG A 17 3.794 10.952 1.781 1.00 0.00 C ATOM 213 CD ARG A 17 4.096 11.773 3.025 1.00 0.00 C ATOM 214 NE ARG A 17 4.606 13.101 2.693 1.00 0.00 N ATOM 215 CZ ARG A 17 3.827 14.150 2.457 1.00 0.00 C ATOM 216 NH1 ARG A 17 2.508 14.027 2.516 1.00 0.00 N ATOM 217 NH2 ARG A 17 4.366 15.326 2.162 1.00 0.00 N ATOM 0 H ARG A 17 1.587 9.279 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 17 4.166 8.328 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.013 9.902 2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.477 9.255 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.725 10.712 1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.192 11.543 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.190 11.872 3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.827 11.247 3.638 1.00 0.00 H new ATOM 0 HE ARG A 17 5.616 13.230 2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.090 13.125 2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.912 14.834 2.334 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.380 15.425 2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.766 16.131 1.981 1.00 0.00 H new ATOM 231 N CYS A 18 3.078 6.360 1.937 1.00 0.00 N ATOM 232 CA CYS A 18 2.462 5.115 2.382 1.00 0.00 C ATOM 233 C CYS A 18 1.227 5.393 3.234 1.00 0.00 C ATOM 234 O CYS A 18 1.288 6.146 4.205 1.00 0.00 O ATOM 235 CB CYS A 18 3.467 4.280 3.177 1.00 0.00 C ATOM 236 SG CYS A 18 2.838 2.650 3.691 1.00 0.00 S ATOM 0 H CYS A 18 4.094 6.384 2.029 1.00 0.00 H new ATOM 0 HA CYS A 18 2.153 4.555 1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.363 4.138 2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.766 4.838 4.064 1.00 0.00 H new ATOM 241 N ALA A 19 0.109 4.779 2.863 1.00 0.00 N ATOM 242 CA ALA A 19 -1.139 4.958 3.595 1.00 0.00 C ATOM 243 C ALA A 19 -1.037 4.385 5.004 1.00 0.00 C ATOM 244 O ALA A 19 -1.868 4.676 5.864 1.00 0.00 O ATOM 245 CB ALA A 19 -2.290 4.308 2.841 1.00 0.00 C ATOM 0 H ALA A 19 0.042 4.153 2.060 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.331 6.028 3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.216 4.449 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.386 4.767 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.094 3.242 2.727 1.00 0.00 H new ATOM 251 N ARG A 20 -0.013 3.570 5.233 1.00 0.00 N ATOM 252 CA ARG A 20 0.196 2.955 6.538 1.00 0.00 C ATOM 253 C ARG A 20 1.095 3.825 7.412 1.00 0.00 C ATOM 254 O ARG A 20 0.726 4.192 8.528 1.00 0.00 O ATOM 255 CB ARG A 20 0.815 1.565 6.378 1.00 0.00 C ATOM 256 CG ARG A 20 1.229 0.927 7.693 1.00 0.00 C ATOM 257 CD ARG A 20 0.021 0.592 8.554 1.00 0.00 C ATOM 258 NE ARG A 20 -0.557 1.782 9.173 1.00 0.00 N ATOM 259 CZ ARG A 20 -1.612 1.752 9.979 1.00 0.00 C ATOM 260 NH1 ARG A 20 -2.201 0.599 10.263 1.00 0.00 N ATOM 261 NH2 ARG A 20 -2.080 2.878 10.503 1.00 0.00 N ATOM 0 H ARG A 20 0.685 3.320 4.532 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.774 2.860 7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.099 0.913 5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.688 1.638 5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.799 0.019 7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.888 1.605 8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.734 0.098 7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.314 -0.115 9.331 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.127 2.685 8.975 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.844 -0.268 9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.011 0.579 10.882 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.629 3.767 10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.890 2.854 11.122 1.00 0.00 H new ATOM 275 N CYS A 21 2.275 4.152 6.897 1.00 0.00 N ATOM 276 CA CYS A 21 3.227 4.979 7.629 1.00 0.00 C ATOM 277 C CYS A 21 3.114 6.441 7.208 1.00 0.00 C ATOM 278 O CYS A 21 3.193 7.345 8.040 1.00 0.00 O ATOM 279 CB CYS A 21 4.654 4.479 7.394 1.00 0.00 C ATOM 280 SG CYS A 21 4.786 2.672 7.200 1.00 0.00 S ATOM 0 H CYS A 21 2.595 3.857 5.975 1.00 0.00 H new ATOM 0 HA CYS A 21 2.993 4.906 8.691 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.054 4.960 6.501 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.279 4.791 8.231 1.00 0.00 H new ATOM 285 N SER A 22 2.927 6.666 5.912 1.00 0.00 N ATOM 286 CA SER A 22 2.807 8.018 5.380 1.00 0.00 C ATOM 287 C SER A 22 4.140 8.755 5.461 1.00 0.00 C ATOM 288 O SER A 22 4.217 9.870 5.978 1.00 0.00 O ATOM 289 CB SER A 22 1.734 8.796 6.145 1.00 0.00 C ATOM 290 OG SER A 22 1.223 9.863 5.364 1.00 0.00 O ATOM 0 H SER A 22 2.855 5.929 5.210 1.00 0.00 H new ATOM 0 HA SER A 22 2.516 7.945 4.332 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.922 8.124 6.424 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.155 9.188 7.071 1.00 0.00 H new ATOM 0 HG SER A 22 0.538 10.343 5.875 1.00 0.00 H new ATOM 296 N LYS A 23 5.190 8.124 4.945 1.00 0.00 N ATOM 297 CA LYS A 23 6.521 8.718 4.957 1.00 0.00 C ATOM 298 C LYS A 23 6.875 9.288 3.586 1.00 0.00 C ATOM 299 O LYS A 23 6.900 10.504 3.396 1.00 0.00 O ATOM 300 CB LYS A 23 7.563 7.677 5.372 1.00 0.00 C ATOM 301 CG LYS A 23 7.377 7.162 6.789 1.00 0.00 C ATOM 302 CD LYS A 23 8.592 6.383 7.263 1.00 0.00 C ATOM 303 CE LYS A 23 8.716 5.050 6.541 1.00 0.00 C ATOM 304 NZ LYS A 23 10.046 4.419 6.765 1.00 0.00 N ATOM 0 H LYS A 23 5.144 7.201 4.513 1.00 0.00 H new ATOM 0 HA LYS A 23 6.521 9.533 5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.520 6.836 4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.557 8.114 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.197 8.001 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.495 6.523 6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.492 6.974 7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.519 6.211 8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.932 4.376 6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.561 5.200 5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.090 3.513 6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.794 5.051 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.184 4.252 7.782 1.00 0.00 H new ATOM 318 N THR A 24 7.146 8.401 2.634 1.00 0.00 N ATOM 319 CA THR A 24 7.498 8.816 1.282 1.00 0.00 C ATOM 320 C THR A 24 7.529 7.623 0.332 1.00 0.00 C ATOM 321 O THR A 24 7.810 6.497 0.742 1.00 0.00 O ATOM 322 CB THR A 24 8.867 9.520 1.248 1.00 0.00 C ATOM 323 OG1 THR A 24 9.746 8.929 2.212 1.00 0.00 O ATOM 324 CG2 THR A 24 8.718 11.007 1.535 1.00 0.00 C ATOM 0 H THR A 24 7.128 7.391 2.774 1.00 0.00 H new ATOM 0 HA THR A 24 6.730 9.517 0.957 1.00 0.00 H new ATOM 0 HB THR A 24 9.288 9.399 0.250 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.615 9.381 2.183 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.698 11.483 1.506 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.072 11.460 0.783 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.277 11.145 2.522 1.00 0.00 H new ATOM 332 N LEU A 25 7.240 7.878 -0.940 1.00 0.00 N ATOM 333 CA LEU A 25 7.236 6.825 -1.949 1.00 0.00 C ATOM 334 C LEU A 25 7.954 7.282 -3.215 1.00 0.00 C ATOM 335 O LEU A 25 7.577 6.908 -4.326 1.00 0.00 O ATOM 336 CB LEU A 25 5.800 6.417 -2.283 1.00 0.00 C ATOM 337 CG LEU A 25 5.076 5.585 -1.223 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.589 5.906 -1.218 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.303 4.100 -1.465 1.00 0.00 C ATOM 0 H LEU A 25 7.006 8.805 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 25 7.767 5.964 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.219 7.321 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.811 5.852 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 25 5.485 5.840 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.090 5.305 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.446 6.964 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.165 5.680 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.781 3.523 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.921 3.829 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.370 3.883 -1.418 1.00 0.00 H new ATOM 351 N THR A 26 8.994 8.092 -3.040 1.00 0.00 N ATOM 352 CA THR A 26 9.765 8.600 -4.168 1.00 0.00 C ATOM 353 C THR A 26 10.544 7.480 -4.849 1.00 0.00 C ATOM 354 O THR A 26 10.557 7.378 -6.075 1.00 0.00 O ATOM 355 CB THR A 26 10.749 9.699 -3.726 1.00 0.00 C ATOM 356 OG1 THR A 26 11.628 10.033 -4.806 1.00 0.00 O ATOM 357 CG2 THR A 26 11.564 9.245 -2.524 1.00 0.00 C ATOM 0 H THR A 26 9.321 8.410 -2.128 1.00 0.00 H new ATOM 0 HA THR A 26 9.051 9.025 -4.874 1.00 0.00 H new ATOM 0 HB THR A 26 10.172 10.579 -3.442 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.249 10.734 -4.517 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.252 10.038 -2.230 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.894 9.020 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.131 8.351 -2.785 1.00 0.00 H new ATOM 365 N GLN A 27 11.192 6.642 -4.045 1.00 0.00 N ATOM 366 CA GLN A 27 11.973 5.530 -4.572 1.00 0.00 C ATOM 367 C GLN A 27 11.155 4.243 -4.574 1.00 0.00 C ATOM 368 O GLN A 27 11.079 3.542 -3.566 1.00 0.00 O ATOM 369 CB GLN A 27 13.247 5.337 -3.747 1.00 0.00 C ATOM 370 CG GLN A 27 14.116 6.582 -3.670 1.00 0.00 C ATOM 371 CD GLN A 27 15.121 6.663 -4.802 1.00 0.00 C ATOM 372 OE1 GLN A 27 15.911 5.743 -5.013 1.00 0.00 O ATOM 373 NE2 GLN A 27 15.095 7.767 -5.539 1.00 0.00 N ATOM 0 H GLN A 27 11.191 6.713 -3.027 1.00 0.00 H new ATOM 0 HA GLN A 27 12.247 5.767 -5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.973 5.032 -2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.830 4.523 -4.179 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.479 7.467 -3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.646 6.592 -2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.423 8.505 -5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.747 7.877 -6.316 1.00 0.00 H new ATOM 382 N GLY A 28 10.543 3.938 -5.715 1.00 0.00 N ATOM 383 CA GLY A 28 9.738 2.735 -5.827 1.00 0.00 C ATOM 384 C GLY A 28 8.539 2.753 -4.900 1.00 0.00 C ATOM 385 O GLY A 28 8.675 2.994 -3.701 1.00 0.00 O ATOM 0 H GLY A 28 10.590 4.502 -6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.396 2.624 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.355 1.866 -5.601 1.00 0.00 H new ATOM 389 N GLY A 29 7.359 2.497 -5.457 1.00 0.00 N ATOM 390 CA GLY A 29 6.147 2.491 -4.658 1.00 0.00 C ATOM 391 C GLY A 29 4.961 1.920 -5.409 1.00 0.00 C ATOM 392 O GLY A 29 5.012 1.745 -6.626 1.00 0.00 O ATOM 0 H GLY A 29 7.221 2.294 -6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.315 1.908 -3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.918 3.509 -4.343 1.00 0.00 H new ATOM 396 N VAL A 30 3.888 1.626 -4.681 1.00 0.00 N ATOM 397 CA VAL A 30 2.683 1.070 -5.285 1.00 0.00 C ATOM 398 C VAL A 30 1.431 1.746 -4.738 1.00 0.00 C ATOM 399 O VAL A 30 1.510 2.615 -3.868 1.00 0.00 O ATOM 400 CB VAL A 30 2.582 -0.448 -5.042 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.684 -1.183 -5.789 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.641 -0.753 -3.552 1.00 0.00 C ATOM 0 H VAL A 30 3.829 1.764 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 30 2.753 1.255 -6.357 1.00 0.00 H new ATOM 0 HB VAL A 30 1.623 -0.797 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.596 -2.254 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.591 -0.989 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.656 -0.833 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.568 -1.830 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.584 -0.391 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.812 -0.257 -3.046 1.00 0.00 H new ATOM 412 N THR A 31 0.274 1.341 -5.251 1.00 0.00 N ATOM 413 CA THR A 31 -0.996 1.908 -4.815 1.00 0.00 C ATOM 414 C THR A 31 -2.063 0.828 -4.682 1.00 0.00 C ATOM 415 O THR A 31 -2.371 0.123 -5.644 1.00 0.00 O ATOM 416 CB THR A 31 -1.495 2.989 -5.792 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.596 3.699 -5.217 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.920 2.368 -7.114 1.00 0.00 C ATOM 0 H THR A 31 0.190 0.622 -5.969 1.00 0.00 H new ATOM 0 HA THR A 31 -0.820 2.364 -3.841 1.00 0.00 H new ATOM 0 HB THR A 31 -0.676 3.683 -5.981 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.906 4.385 -5.844 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.269 3.150 -7.788 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.071 1.853 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.725 1.655 -6.939 1.00 0.00 H new ATOM 426 N TYR A 32 -2.626 0.703 -3.485 1.00 0.00 N ATOM 427 CA TYR A 32 -3.659 -0.293 -3.226 1.00 0.00 C ATOM 428 C TYR A 32 -4.966 0.373 -2.808 1.00 0.00 C ATOM 429 O TYR A 32 -5.000 1.158 -1.861 1.00 0.00 O ATOM 430 CB TYR A 32 -3.198 -1.265 -2.138 1.00 0.00 C ATOM 431 CG TYR A 32 -4.337 -1.949 -1.415 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.926 -1.368 -0.300 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.824 -3.176 -1.850 1.00 0.00 C ATOM 434 CE1 TYR A 32 -5.966 -1.989 0.364 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.865 -3.804 -1.193 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.432 -3.207 -0.086 1.00 0.00 C ATOM 437 OH TYR A 32 -7.469 -3.828 0.571 1.00 0.00 O ATOM 0 H TYR A 32 -2.384 1.279 -2.679 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.834 -0.846 -4.149 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.557 -2.023 -2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.591 -0.724 -1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.565 -0.414 0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.382 -3.646 -2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.412 -1.524 1.231 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.233 -4.757 -1.544 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.755 -3.274 1.327 1.00 0.00 H new ATOM 447 N ARG A 33 -6.040 0.053 -3.522 1.00 0.00 N ATOM 448 CA ARG A 33 -7.351 0.620 -3.228 1.00 0.00 C ATOM 449 C ARG A 33 -7.341 2.135 -3.409 1.00 0.00 C ATOM 450 O ARG A 33 -7.795 2.877 -2.539 1.00 0.00 O ATOM 451 CB ARG A 33 -7.772 0.270 -1.799 1.00 0.00 C ATOM 452 CG ARG A 33 -8.521 -1.048 -1.691 1.00 0.00 C ATOM 453 CD ARG A 33 -9.266 -1.159 -0.370 1.00 0.00 C ATOM 454 NE ARG A 33 -10.326 -2.163 -0.421 1.00 0.00 N ATOM 455 CZ ARG A 33 -11.493 -2.032 0.200 1.00 0.00 C ATOM 456 NH1 ARG A 33 -11.749 -0.945 0.915 1.00 0.00 N ATOM 457 NH2 ARG A 33 -12.407 -2.989 0.106 1.00 0.00 N ATOM 0 H ARG A 33 -6.028 -0.596 -4.309 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.069 0.192 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.884 0.227 -1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.402 1.069 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.227 -1.135 -2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.818 -1.876 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.563 -1.415 0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.696 -0.191 -0.114 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.161 -3.011 -0.963 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.049 -0.207 0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.646 -0.847 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.214 -3.826 -0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.303 -2.887 0.583 1.00 0.00 H new ATOM 471 N ASP A 34 -6.820 2.586 -4.545 1.00 0.00 N ATOM 472 CA ASP A 34 -6.751 4.012 -4.842 1.00 0.00 C ATOM 473 C ASP A 34 -5.985 4.757 -3.753 1.00 0.00 C ATOM 474 O ASP A 34 -6.298 5.904 -3.436 1.00 0.00 O ATOM 475 CB ASP A 34 -8.159 4.594 -4.982 1.00 0.00 C ATOM 476 CG ASP A 34 -8.165 5.928 -5.701 1.00 0.00 C ATOM 477 OD1 ASP A 34 -7.810 5.959 -6.898 1.00 0.00 O ATOM 478 OD2 ASP A 34 -8.523 6.943 -5.066 1.00 0.00 O ATOM 0 H ASP A 34 -6.439 1.984 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.219 4.137 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.788 3.889 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.599 4.716 -3.992 1.00 0.00 H new ATOM 483 N GLN A 35 -4.982 4.096 -3.185 1.00 0.00 N ATOM 484 CA GLN A 35 -4.173 4.696 -2.130 1.00 0.00 C ATOM 485 C GLN A 35 -2.727 4.219 -2.216 1.00 0.00 C ATOM 486 O GLN A 35 -2.446 3.066 -2.544 1.00 0.00 O ATOM 487 CB GLN A 35 -4.754 4.356 -0.757 1.00 0.00 C ATOM 488 CG GLN A 35 -6.159 4.894 -0.540 1.00 0.00 C ATOM 489 CD GLN A 35 -6.166 6.283 0.066 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.492 7.264 -0.603 1.00 0.00 O ATOM 491 NE2 GLN A 35 -5.804 6.374 1.341 1.00 0.00 N ATOM 0 H GLN A 35 -4.710 3.146 -3.437 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.188 5.777 -2.265 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.766 3.273 -0.635 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.097 4.757 0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.687 4.915 -1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.707 4.214 0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.541 5.535 1.858 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.789 7.283 1.803 1.00 0.00 H new ATOM 500 N PRO A 36 -1.785 5.126 -1.916 1.00 0.00 N ATOM 501 CA PRO A 36 -0.352 4.821 -1.951 1.00 0.00 C ATOM 502 C PRO A 36 0.067 3.872 -0.834 1.00 0.00 C ATOM 503 O PRO A 36 -0.263 4.088 0.332 1.00 0.00 O ATOM 504 CB PRO A 36 0.307 6.190 -1.765 1.00 0.00 C ATOM 505 CG PRO A 36 -0.708 7.003 -1.037 1.00 0.00 C ATOM 506 CD PRO A 36 -2.048 6.519 -1.517 1.00 0.00 C ATOM 0 HA PRO A 36 -0.066 4.317 -2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.233 6.110 -1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.561 6.641 -2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.610 6.875 0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.579 8.065 -1.245 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.801 6.576 -0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.414 7.114 -2.353 1.00 0.00 H new ATOM 514 N TRP A 37 0.794 2.822 -1.198 1.00 0.00 N ATOM 515 CA TRP A 37 1.258 1.840 -0.224 1.00 0.00 C ATOM 516 C TRP A 37 2.740 1.539 -0.419 1.00 0.00 C ATOM 517 O TRP A 37 3.268 1.659 -1.525 1.00 0.00 O ATOM 518 CB TRP A 37 0.444 0.550 -0.342 1.00 0.00 C ATOM 519 CG TRP A 37 -0.839 0.585 0.432 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.988 1.238 0.086 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.103 -0.058 1.683 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.950 1.039 1.046 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.432 0.246 2.037 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.347 -0.864 2.538 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.017 -0.226 3.208 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -0.929 -1.332 3.701 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.254 -1.013 4.027 1.00 0.00 C ATOM 0 H TRP A 37 1.075 2.628 -2.159 1.00 0.00 H new ATOM 0 HA TRP A 37 1.119 2.260 0.772 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.221 0.364 -1.393 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.049 -0.286 0.008 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.121 1.825 -0.811 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.896 1.419 1.025 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.674 -1.117 2.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.038 0.020 3.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.353 -1.954 4.370 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.681 -1.396 4.942 1.00 0.00 H new ATOM 538 N HIS A 38 3.407 1.148 0.663 1.00 0.00 N ATOM 539 CA HIS A 38 4.829 0.829 0.610 1.00 0.00 C ATOM 540 C HIS A 38 5.052 -0.567 0.037 1.00 0.00 C ATOM 541 O HIS A 38 4.604 -1.562 0.608 1.00 0.00 O ATOM 542 CB HIS A 38 5.447 0.925 2.005 1.00 0.00 C ATOM 543 CG HIS A 38 6.097 2.246 2.283 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.022 2.879 3.506 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.838 3.052 1.488 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.687 4.019 3.450 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.193 4.148 2.237 1.00 0.00 N ATOM 0 H HIS A 38 2.986 1.045 1.586 1.00 0.00 H new ATOM 0 HA HIS A 38 5.314 1.553 -0.045 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.671 0.747 2.750 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.188 0.134 2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.101 2.868 0.457 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.798 4.726 4.259 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.756 4.933 1.909 1.00 0.00 H new ATOM 555 N ARG A 39 5.746 -0.633 -1.095 1.00 0.00 N ATOM 556 CA ARG A 39 6.026 -1.907 -1.746 1.00 0.00 C ATOM 557 C ARG A 39 6.233 -3.012 -0.713 1.00 0.00 C ATOM 558 O ARG A 39 5.817 -4.151 -0.919 1.00 0.00 O ATOM 559 CB ARG A 39 7.265 -1.788 -2.636 1.00 0.00 C ATOM 560 CG ARG A 39 7.059 -0.900 -3.851 1.00 0.00 C ATOM 561 CD ARG A 39 7.911 -1.355 -5.025 1.00 0.00 C ATOM 562 NE ARG A 39 9.338 -1.304 -4.718 1.00 0.00 N ATOM 563 CZ ARG A 39 10.248 -2.058 -5.324 1.00 0.00 C ATOM 564 NH1 ARG A 39 9.882 -2.916 -6.266 1.00 0.00 N ATOM 565 NH2 ARG A 39 11.528 -1.955 -4.989 1.00 0.00 N ATOM 0 H ARG A 39 6.124 0.181 -1.580 1.00 0.00 H new ATOM 0 HA ARG A 39 5.167 -2.167 -2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.091 -1.393 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.559 -2.783 -2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.007 -0.912 -4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.309 0.130 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.635 -2.373 -5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.703 -0.724 -5.889 1.00 0.00 H new ATOM 0 HE ARG A 39 9.653 -0.653 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.899 -2.998 -6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.583 -3.494 -6.730 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.814 -1.296 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.226 -2.535 -5.455 1.00 0.00 H new ATOM 579 N GLU A 40 6.879 -2.665 0.396 1.00 0.00 N ATOM 580 CA GLU A 40 7.141 -3.627 1.459 1.00 0.00 C ATOM 581 C GLU A 40 5.901 -3.835 2.324 1.00 0.00 C ATOM 582 O GLU A 40 5.463 -4.965 2.540 1.00 0.00 O ATOM 583 CB GLU A 40 8.309 -3.155 2.328 1.00 0.00 C ATOM 584 CG GLU A 40 9.594 -2.927 1.549 1.00 0.00 C ATOM 585 CD GLU A 40 10.834 -3.134 2.397 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.774 -3.936 3.352 1.00 0.00 O ATOM 587 OE2 GLU A 40 11.865 -2.494 2.104 1.00 0.00 O ATOM 0 H GLU A 40 7.230 -1.725 0.581 1.00 0.00 H new ATOM 0 HA GLU A 40 7.403 -4.578 0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.028 -2.228 2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.493 -3.894 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.623 -3.606 0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.597 -1.913 1.149 1.00 0.00 H new ATOM 594 N CYS A 41 5.340 -2.735 2.816 1.00 0.00 N ATOM 595 CA CYS A 41 4.151 -2.794 3.658 1.00 0.00 C ATOM 596 C CYS A 41 3.037 -3.580 2.972 1.00 0.00 C ATOM 597 O CYS A 41 2.445 -4.484 3.563 1.00 0.00 O ATOM 598 CB CYS A 41 3.665 -1.382 3.989 1.00 0.00 C ATOM 599 SG CYS A 41 4.781 -0.449 5.086 1.00 0.00 S ATOM 0 H CYS A 41 5.690 -1.792 2.646 1.00 0.00 H new ATOM 0 HA CYS A 41 4.416 -3.306 4.583 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.538 -0.826 3.060 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.683 -1.448 4.458 1.00 0.00 H new ATOM 604 N LEU A 42 2.757 -3.230 1.722 1.00 0.00 N ATOM 605 CA LEU A 42 1.715 -3.902 0.954 1.00 0.00 C ATOM 606 C LEU A 42 1.918 -5.413 0.966 1.00 0.00 C ATOM 607 O LEU A 42 2.782 -5.940 0.265 1.00 0.00 O ATOM 608 CB LEU A 42 1.704 -3.389 -0.487 1.00 0.00 C ATOM 609 CG LEU A 42 0.649 -4.000 -1.409 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.750 -3.680 -0.905 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.831 -3.498 -2.835 1.00 0.00 C ATOM 0 H LEU A 42 3.237 -2.484 1.218 1.00 0.00 H new ATOM 0 HA LEU A 42 0.755 -3.679 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.558 -2.309 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.687 -3.569 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 42 0.776 -5.083 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.488 -4.123 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.878 -4.088 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.888 -2.599 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.071 -3.943 -3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.732 -2.413 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.821 -3.778 -3.196 1.00 0.00 H new ATOM 623 N VAL A 43 1.115 -6.107 1.766 1.00 0.00 N ATOM 624 CA VAL A 43 1.204 -7.559 1.867 1.00 0.00 C ATOM 625 C VAL A 43 -0.138 -8.166 2.259 1.00 0.00 C ATOM 626 O VAL A 43 -1.005 -7.484 2.807 1.00 0.00 O ATOM 627 CB VAL A 43 2.268 -7.985 2.897 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.641 -7.475 2.488 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.895 -7.487 4.285 1.00 0.00 C ATOM 0 H VAL A 43 0.395 -5.687 2.354 1.00 0.00 H new ATOM 0 HA VAL A 43 1.493 -7.928 0.883 1.00 0.00 H new ATOM 0 HB VAL A 43 2.306 -9.074 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.379 -7.785 3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.907 -7.887 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.622 -6.387 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.657 -7.797 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.827 -6.399 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.932 -7.908 4.576 1.00 0.00 H new ATOM 639 N CYS A 44 -0.305 -9.454 1.974 1.00 0.00 N ATOM 640 CA CYS A 44 -1.542 -10.155 2.296 1.00 0.00 C ATOM 641 C CYS A 44 -1.817 -10.112 3.796 1.00 0.00 C ATOM 642 O CYS A 44 -0.892 -10.133 4.610 1.00 0.00 O ATOM 643 CB CYS A 44 -1.467 -11.607 1.821 1.00 0.00 C ATOM 644 SG CYS A 44 -2.956 -12.588 2.194 1.00 0.00 S ATOM 0 H CYS A 44 0.402 -10.033 1.520 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.361 -9.653 1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.298 -11.618 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.604 -12.086 2.284 1.00 0.00 H new ATOM 649 N THR A 45 -3.095 -10.051 4.157 1.00 0.00 N ATOM 650 CA THR A 45 -3.493 -10.004 5.558 1.00 0.00 C ATOM 651 C THR A 45 -3.717 -11.406 6.113 1.00 0.00 C ATOM 652 O THR A 45 -4.390 -11.582 7.128 1.00 0.00 O ATOM 653 CB THR A 45 -4.778 -9.177 5.750 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.765 -8.042 4.876 1.00 0.00 O ATOM 655 CG2 THR A 45 -4.912 -8.712 7.192 1.00 0.00 C ATOM 0 H THR A 45 -3.873 -10.033 3.497 1.00 0.00 H new ATOM 0 HA THR A 45 -2.678 -9.526 6.102 1.00 0.00 H new ATOM 0 HB THR A 45 -5.631 -9.811 5.509 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.840 -8.344 3.947 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.827 -8.130 7.303 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.951 -9.579 7.852 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.054 -8.093 7.456 1.00 0.00 H new ATOM 663 N GLY A 46 -3.148 -12.402 5.441 1.00 0.00 N ATOM 664 CA GLY A 46 -3.297 -13.776 5.883 1.00 0.00 C ATOM 665 C GLY A 46 -1.971 -14.506 5.965 1.00 0.00 C ATOM 666 O GLY A 46 -1.645 -15.103 6.992 1.00 0.00 O ATOM 0 H GLY A 46 -2.586 -12.282 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.777 -13.790 6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.958 -14.306 5.197 1.00 0.00 H new ATOM 670 N CYS A 47 -1.204 -14.461 4.881 1.00 0.00 N ATOM 671 CA CYS A 47 0.093 -15.124 4.833 1.00 0.00 C ATOM 672 C CYS A 47 1.228 -14.104 4.874 1.00 0.00 C ATOM 673 O CYS A 47 2.387 -14.460 5.085 1.00 0.00 O ATOM 674 CB CYS A 47 0.206 -15.978 3.568 1.00 0.00 C ATOM 675 SG CYS A 47 -0.066 -15.056 2.021 1.00 0.00 S ATOM 0 H CYS A 47 -1.459 -13.972 4.023 1.00 0.00 H new ATOM 0 HA CYS A 47 0.176 -15.769 5.708 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.196 -16.434 3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.518 -16.791 3.626 1.00 0.00 H new ATOM 680 N GLN A 48 0.884 -12.837 4.670 1.00 0.00 N ATOM 681 CA GLN A 48 1.874 -11.766 4.684 1.00 0.00 C ATOM 682 C GLN A 48 2.798 -11.864 3.475 1.00 0.00 C ATOM 683 O GLN A 48 4.020 -11.917 3.616 1.00 0.00 O ATOM 684 CB GLN A 48 2.694 -11.817 5.974 1.00 0.00 C ATOM 685 CG GLN A 48 1.845 -11.906 7.231 1.00 0.00 C ATOM 686 CD GLN A 48 0.619 -11.017 7.171 1.00 0.00 C ATOM 687 OE1 GLN A 48 -0.506 -11.478 7.368 1.00 0.00 O ATOM 688 NE2 GLN A 48 0.829 -9.735 6.899 1.00 0.00 N ATOM 0 H GLN A 48 -0.071 -12.527 4.493 1.00 0.00 H new ATOM 0 HA GLN A 48 1.344 -10.815 4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.363 -12.677 5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.321 -10.927 6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.533 -12.939 7.382 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.450 -11.627 8.094 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.778 -9.396 6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.041 -9.089 6.846 1.00 0.00 H new ATOM 697 N THR A 49 2.207 -11.889 2.284 1.00 0.00 N ATOM 698 CA THR A 49 2.977 -11.982 1.050 1.00 0.00 C ATOM 699 C THR A 49 2.930 -10.672 0.272 1.00 0.00 C ATOM 700 O THR A 49 1.901 -9.999 0.204 1.00 0.00 O ATOM 701 CB THR A 49 2.459 -13.119 0.150 1.00 0.00 C ATOM 702 OG1 THR A 49 3.356 -13.322 -0.948 1.00 0.00 O ATOM 703 CG2 THR A 49 1.068 -12.802 -0.377 1.00 0.00 C ATOM 0 H THR A 49 1.197 -11.846 2.148 1.00 0.00 H new ATOM 0 HA THR A 49 4.007 -12.195 1.336 1.00 0.00 H new ATOM 0 HB THR A 49 2.405 -14.029 0.748 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.020 -14.048 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.724 -13.620 -1.010 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.381 -12.677 0.460 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.101 -11.881 -0.960 1.00 0.00 H new ATOM 711 N PRO A 50 4.069 -10.299 -0.330 1.00 0.00 N ATOM 712 CA PRO A 50 4.182 -9.067 -1.116 1.00 0.00 C ATOM 713 C PRO A 50 3.399 -9.138 -2.422 1.00 0.00 C ATOM 714 O PRO A 50 3.817 -9.801 -3.373 1.00 0.00 O ATOM 715 CB PRO A 50 5.683 -8.962 -1.396 1.00 0.00 C ATOM 716 CG PRO A 50 6.181 -10.364 -1.326 1.00 0.00 C ATOM 717 CD PRO A 50 5.333 -11.052 -0.291 1.00 0.00 C ATOM 0 HA PRO A 50 3.772 -8.207 -0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.873 -8.523 -2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.179 -8.329 -0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.094 -10.858 -2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.235 -10.391 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.181 -12.104 -0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.794 -11.013 0.696 1.00 0.00 H new ATOM 725 N LEU A 51 2.263 -8.451 -2.464 1.00 0.00 N ATOM 726 CA LEU A 51 1.422 -8.436 -3.656 1.00 0.00 C ATOM 727 C LEU A 51 1.910 -7.391 -4.654 1.00 0.00 C ATOM 728 O LEU A 51 1.200 -7.039 -5.596 1.00 0.00 O ATOM 729 CB LEU A 51 -0.032 -8.153 -3.274 1.00 0.00 C ATOM 730 CG LEU A 51 -0.601 -8.993 -2.130 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.692 -8.228 -1.397 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.136 -10.317 -2.655 1.00 0.00 C ATOM 0 H LEU A 51 1.903 -7.897 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 51 1.484 -9.417 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.117 -7.101 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.655 -8.306 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 51 0.203 -9.203 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.085 -8.842 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.278 -7.307 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.496 -7.986 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.537 -10.901 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.926 -10.128 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.329 -10.872 -3.133 1.00 0.00 H new ATOM 744 N ALA A 52 3.126 -6.900 -4.442 1.00 0.00 N ATOM 745 CA ALA A 52 3.711 -5.898 -5.325 1.00 0.00 C ATOM 746 C ALA A 52 3.552 -6.297 -6.788 1.00 0.00 C ATOM 747 O ALA A 52 4.322 -7.103 -7.309 1.00 0.00 O ATOM 748 CB ALA A 52 5.180 -5.691 -4.988 1.00 0.00 C ATOM 0 H ALA A 52 3.726 -7.180 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 52 3.179 -4.959 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.604 -4.940 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.272 -5.353 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.718 -6.631 -5.111 1.00 0.00 H new ATOM 754 N GLY A 53 2.548 -5.727 -7.447 1.00 0.00 N ATOM 755 CA GLY A 53 2.306 -6.036 -8.844 1.00 0.00 C ATOM 756 C GLY A 53 1.881 -7.476 -9.053 1.00 0.00 C ATOM 757 O GLY A 53 2.271 -8.108 -10.035 1.00 0.00 O ATOM 0 H GLY A 53 1.897 -5.056 -7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.533 -5.372 -9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.211 -5.840 -9.419 1.00 0.00 H new ATOM 761 N GLN A 54 1.081 -7.996 -8.128 1.00 0.00 N ATOM 762 CA GLN A 54 0.605 -9.372 -8.216 1.00 0.00 C ATOM 763 C GLN A 54 -0.918 -9.418 -8.277 1.00 0.00 C ATOM 764 O GLN A 54 -1.594 -8.495 -7.822 1.00 0.00 O ATOM 765 CB GLN A 54 1.105 -10.184 -7.019 1.00 0.00 C ATOM 766 CG GLN A 54 0.464 -11.557 -6.906 1.00 0.00 C ATOM 767 CD GLN A 54 1.313 -12.534 -6.117 1.00 0.00 C ATOM 768 OE1 GLN A 54 2.500 -12.709 -6.396 1.00 0.00 O ATOM 769 NE2 GLN A 54 0.708 -13.177 -5.125 1.00 0.00 N ATOM 0 H GLN A 54 0.749 -7.486 -7.309 1.00 0.00 H new ATOM 0 HA GLN A 54 1.000 -9.809 -9.133 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.186 -10.302 -7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.910 -9.625 -6.104 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.511 -11.460 -6.428 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.291 -11.956 -7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.277 -13.001 -4.929 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.229 -13.847 -4.559 1.00 0.00 H new ATOM 778 N GLN A 55 -1.450 -10.497 -8.841 1.00 0.00 N ATOM 779 CA GLN A 55 -2.894 -10.662 -8.961 1.00 0.00 C ATOM 780 C GLN A 55 -3.510 -11.061 -7.624 1.00 0.00 C ATOM 781 O GLN A 55 -3.294 -12.171 -7.136 1.00 0.00 O ATOM 782 CB GLN A 55 -3.221 -11.715 -10.022 1.00 0.00 C ATOM 783 CG GLN A 55 -3.361 -11.144 -11.423 1.00 0.00 C ATOM 784 CD GLN A 55 -2.045 -11.114 -12.175 1.00 0.00 C ATOM 785 OE1 GLN A 55 -1.589 -10.056 -12.611 1.00 0.00 O ATOM 786 NE2 GLN A 55 -1.425 -12.278 -12.331 1.00 0.00 N ATOM 0 H GLN A 55 -0.904 -11.270 -9.222 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.320 -9.706 -9.265 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.437 -12.472 -10.024 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.149 -12.218 -9.749 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.082 -11.739 -11.983 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.763 -10.133 -11.361 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.838 -13.131 -11.954 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.535 -12.319 -12.828 1.00 0.00 H new ATOM 795 N PHE A 56 -4.277 -10.149 -7.036 1.00 0.00 N ATOM 796 CA PHE A 56 -4.924 -10.405 -5.755 1.00 0.00 C ATOM 797 C PHE A 56 -6.248 -9.653 -5.653 1.00 0.00 C ATOM 798 O PHE A 56 -6.649 -8.950 -6.581 1.00 0.00 O ATOM 799 CB PHE A 56 -4.002 -9.996 -4.604 1.00 0.00 C ATOM 800 CG PHE A 56 -3.813 -8.510 -4.487 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.708 -7.740 -3.761 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.741 -7.884 -5.101 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.537 -6.373 -3.652 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.565 -6.518 -4.996 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.463 -5.761 -4.269 1.00 0.00 C ATOM 0 H PHE A 56 -4.466 -9.226 -7.427 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.128 -11.474 -5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.411 -10.377 -3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.029 -10.468 -4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.548 -8.214 -3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.034 -8.471 -5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.242 -5.784 -3.085 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.726 -6.042 -5.482 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.326 -4.693 -4.183 1.00 0.00 H new ATOM 815 N THR A 57 -6.923 -9.807 -4.519 1.00 0.00 N ATOM 816 CA THR A 57 -8.202 -9.145 -4.295 1.00 0.00 C ATOM 817 C THR A 57 -8.242 -8.474 -2.927 1.00 0.00 C ATOM 818 O THR A 57 -7.447 -8.794 -2.044 1.00 0.00 O ATOM 819 CB THR A 57 -9.375 -10.138 -4.402 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.612 -9.464 -4.145 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.203 -11.286 -3.419 1.00 0.00 C ATOM 0 H THR A 57 -6.605 -10.385 -3.741 1.00 0.00 H new ATOM 0 HA THR A 57 -8.305 -8.387 -5.071 1.00 0.00 H new ATOM 0 HB THR A 57 -9.387 -10.545 -5.413 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.353 -10.101 -4.217 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.043 -11.974 -3.513 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.275 -11.815 -3.636 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.168 -10.893 -2.403 1.00 0.00 H new ATOM 829 N SER A 58 -9.174 -7.542 -2.757 1.00 0.00 N ATOM 830 CA SER A 58 -9.316 -6.823 -1.496 1.00 0.00 C ATOM 831 C SER A 58 -10.666 -7.120 -0.850 1.00 0.00 C ATOM 832 O SER A 58 -11.702 -7.106 -1.516 1.00 0.00 O ATOM 833 CB SER A 58 -9.167 -5.317 -1.723 1.00 0.00 C ATOM 834 OG SER A 58 -10.052 -4.864 -2.733 1.00 0.00 O ATOM 0 H SER A 58 -9.842 -7.267 -3.477 1.00 0.00 H new ATOM 0 HA SER A 58 -8.528 -7.161 -0.823 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.368 -4.784 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.139 -5.088 -2.006 1.00 0.00 H new ATOM 0 HG SER A 58 -9.939 -3.899 -2.858 1.00 0.00 H new ATOM 840 N ARG A 59 -10.646 -7.390 0.451 1.00 0.00 N ATOM 841 CA ARG A 59 -11.867 -7.692 1.188 1.00 0.00 C ATOM 842 C ARG A 59 -11.841 -7.047 2.570 1.00 0.00 C ATOM 843 O ARG A 59 -10.796 -6.985 3.218 1.00 0.00 O ATOM 844 CB ARG A 59 -12.045 -9.205 1.322 1.00 0.00 C ATOM 845 CG ARG A 59 -13.478 -9.627 1.606 1.00 0.00 C ATOM 846 CD ARG A 59 -13.784 -10.994 1.015 1.00 0.00 C ATOM 847 NE ARG A 59 -14.765 -11.727 1.810 1.00 0.00 N ATOM 848 CZ ARG A 59 -15.547 -12.680 1.316 1.00 0.00 C ATOM 849 NH1 ARG A 59 -15.463 -13.014 0.036 1.00 0.00 N ATOM 850 NH2 ARG A 59 -16.416 -13.302 2.104 1.00 0.00 N ATOM 0 H ARG A 59 -9.797 -7.406 1.017 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.709 -7.282 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.709 -9.685 0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.402 -9.568 2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.645 -9.649 2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.165 -8.889 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.158 -10.874 -0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.864 -11.575 0.949 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.855 -11.494 2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.796 -12.539 -0.572 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.065 -13.746 -0.341 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.483 -13.048 3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.016 -14.034 1.724 1.00 0.00 H new ATOM 864 N ASP A 60 -12.998 -6.569 3.016 1.00 0.00 N ATOM 865 CA ASP A 60 -13.108 -5.930 4.322 1.00 0.00 C ATOM 866 C ASP A 60 -12.005 -4.894 4.515 1.00 0.00 C ATOM 867 O ASP A 60 -11.444 -4.767 5.603 1.00 0.00 O ATOM 868 CB ASP A 60 -13.041 -6.977 5.434 1.00 0.00 C ATOM 869 CG ASP A 60 -12.092 -8.112 5.104 1.00 0.00 C ATOM 870 OD1 ASP A 60 -12.542 -9.106 4.498 1.00 0.00 O ATOM 871 OD2 ASP A 60 -10.897 -8.005 5.452 1.00 0.00 O ATOM 0 H ASP A 60 -13.872 -6.612 2.492 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.071 -5.422 4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.723 -6.499 6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.038 -7.380 5.610 1.00 0.00 H new ATOM 876 N GLU A 61 -11.699 -4.157 3.452 1.00 0.00 N ATOM 877 CA GLU A 61 -10.661 -3.134 3.505 1.00 0.00 C ATOM 878 C GLU A 61 -9.307 -3.751 3.843 1.00 0.00 C ATOM 879 O GLU A 61 -8.482 -3.132 4.517 1.00 0.00 O ATOM 880 CB GLU A 61 -11.020 -2.065 4.539 1.00 0.00 C ATOM 881 CG GLU A 61 -12.412 -1.484 4.355 1.00 0.00 C ATOM 882 CD GLU A 61 -12.534 -0.077 4.908 1.00 0.00 C ATOM 883 OE1 GLU A 61 -12.615 0.069 6.146 1.00 0.00 O ATOM 884 OE2 GLU A 61 -12.549 0.877 4.103 1.00 0.00 O ATOM 0 H GLU A 61 -12.155 -4.249 2.544 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.594 -2.669 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.945 -2.497 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.289 -1.259 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.661 -1.476 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.139 -2.129 4.849 1.00 0.00 H new ATOM 891 N ASP A 62 -9.085 -4.973 3.372 1.00 0.00 N ATOM 892 CA ASP A 62 -7.831 -5.673 3.623 1.00 0.00 C ATOM 893 C ASP A 62 -7.379 -6.441 2.385 1.00 0.00 C ATOM 894 O ASP A 62 -8.122 -7.240 1.814 1.00 0.00 O ATOM 895 CB ASP A 62 -7.986 -6.633 4.804 1.00 0.00 C ATOM 896 CG ASP A 62 -8.068 -5.907 6.133 1.00 0.00 C ATOM 897 OD1 ASP A 62 -7.341 -4.907 6.309 1.00 0.00 O ATOM 898 OD2 ASP A 62 -8.861 -6.338 6.996 1.00 0.00 O ATOM 0 H ASP A 62 -9.757 -5.499 2.814 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.071 -4.930 3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.885 -7.233 4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.142 -7.322 4.821 1.00 0.00 H new ATOM 903 N PRO A 63 -6.133 -6.193 1.957 1.00 0.00 N ATOM 904 CA PRO A 63 -5.554 -6.850 0.781 1.00 0.00 C ATOM 905 C PRO A 63 -5.283 -8.332 1.020 1.00 0.00 C ATOM 906 O PRO A 63 -4.511 -8.696 1.907 1.00 0.00 O ATOM 907 CB PRO A 63 -4.241 -6.095 0.563 1.00 0.00 C ATOM 908 CG PRO A 63 -3.886 -5.556 1.905 1.00 0.00 C ATOM 909 CD PRO A 63 -5.191 -5.253 2.588 1.00 0.00 C ATOM 0 HA PRO A 63 -6.227 -6.818 -0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.462 -6.757 0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.362 -5.294 -0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.306 -6.281 2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.275 -4.658 1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.127 -5.410 3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.494 -4.217 2.435 1.00 0.00 H new ATOM 917 N TYR A 64 -5.922 -9.181 0.223 1.00 0.00 N ATOM 918 CA TYR A 64 -5.751 -10.624 0.349 1.00 0.00 C ATOM 919 C TYR A 64 -5.324 -11.240 -0.980 1.00 0.00 C ATOM 920 O TYR A 64 -5.824 -10.864 -2.041 1.00 0.00 O ATOM 921 CB TYR A 64 -7.049 -11.272 0.832 1.00 0.00 C ATOM 922 CG TYR A 64 -7.298 -11.100 2.313 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.629 -11.883 3.246 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.202 -10.153 2.780 1.00 0.00 C ATOM 925 CE1 TYR A 64 -6.854 -11.729 4.600 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.432 -9.992 4.133 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.756 -10.782 5.038 1.00 0.00 C ATOM 928 OH TYR A 64 -7.982 -10.625 6.387 1.00 0.00 O ATOM 0 H TYR A 64 -6.563 -8.895 -0.517 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.966 -10.809 1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.886 -10.845 0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.023 -12.336 0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.921 -12.625 2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.734 -9.533 2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.327 -12.347 5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.137 -9.251 4.479 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.644 -9.916 6.527 1.00 0.00 H new ATOM 938 N CYS A 65 -4.398 -12.190 -0.913 1.00 0.00 N ATOM 939 CA CYS A 65 -3.903 -12.861 -2.109 1.00 0.00 C ATOM 940 C CYS A 65 -4.879 -13.939 -2.572 1.00 0.00 C ATOM 941 O CYS A 65 -5.645 -14.481 -1.776 1.00 0.00 O ATOM 942 CB CYS A 65 -2.530 -13.482 -1.840 1.00 0.00 C ATOM 943 SG CYS A 65 -2.590 -15.033 -0.887 1.00 0.00 S ATOM 0 H CYS A 65 -3.975 -12.513 -0.043 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.809 -12.117 -2.900 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.036 -13.672 -2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.916 -12.760 -1.301 1.00 0.00 H new ATOM 948 N VAL A 66 -4.844 -14.245 -3.866 1.00 0.00 N ATOM 949 CA VAL A 66 -5.724 -15.258 -4.435 1.00 0.00 C ATOM 950 C VAL A 66 -5.671 -16.549 -3.626 1.00 0.00 C ATOM 951 O VAL A 66 -6.690 -17.210 -3.425 1.00 0.00 O ATOM 952 CB VAL A 66 -5.352 -15.567 -5.898 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.239 -16.670 -6.453 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.454 -14.310 -6.749 1.00 0.00 C ATOM 0 H VAL A 66 -4.216 -13.806 -4.539 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.735 -14.853 -4.402 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.320 -15.916 -5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.961 -16.874 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.111 -17.574 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.281 -16.354 -6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.188 -14.546 -7.779 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.475 -13.930 -6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.772 -13.553 -6.362 1.00 0.00 H new ATOM 964 N ALA A 67 -4.477 -16.903 -3.163 1.00 0.00 N ATOM 965 CA ALA A 67 -4.291 -18.113 -2.373 1.00 0.00 C ATOM 966 C ALA A 67 -5.078 -18.044 -1.069 1.00 0.00 C ATOM 967 O ALA A 67 -5.523 -19.065 -0.544 1.00 0.00 O ATOM 968 CB ALA A 67 -2.813 -18.337 -2.089 1.00 0.00 C ATOM 0 H ALA A 67 -3.623 -16.368 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.670 -18.956 -2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.690 -19.245 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.273 -18.441 -3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.416 -17.486 -1.535 1.00 0.00 H new ATOM 974 N CYS A 68 -5.246 -16.832 -0.548 1.00 0.00 N ATOM 975 CA CYS A 68 -5.978 -16.629 0.696 1.00 0.00 C ATOM 976 C CYS A 68 -7.468 -16.438 0.425 1.00 0.00 C ATOM 977 O CYS A 68 -8.309 -17.118 1.014 1.00 0.00 O ATOM 978 CB CYS A 68 -5.425 -15.415 1.445 1.00 0.00 C ATOM 979 SG CYS A 68 -3.987 -15.784 2.500 1.00 0.00 S ATOM 0 H CYS A 68 -4.885 -15.976 -0.969 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.850 -17.518 1.314 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.144 -14.651 0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.217 -14.991 2.063 1.00 0.00 H new ATOM 984 N PHE A 69 -7.787 -15.508 -0.469 1.00 0.00 N ATOM 985 CA PHE A 69 -9.175 -15.227 -0.818 1.00 0.00 C ATOM 986 C PHE A 69 -9.947 -16.520 -1.062 1.00 0.00 C ATOM 987 O PHE A 69 -11.056 -16.698 -0.560 1.00 0.00 O ATOM 988 CB PHE A 69 -9.240 -14.338 -2.061 1.00 0.00 C ATOM 989 CG PHE A 69 -10.641 -14.071 -2.534 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.457 -13.181 -1.855 1.00 0.00 C ATOM 991 CD2 PHE A 69 -11.141 -14.711 -3.656 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.746 -12.932 -2.288 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.429 -14.467 -4.094 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.233 -13.577 -3.408 1.00 0.00 C ATOM 0 H PHE A 69 -7.103 -14.936 -0.965 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.635 -14.703 0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.751 -13.388 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.677 -14.811 -2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.082 -12.676 -0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.517 -15.409 -4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.371 -12.234 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.806 -14.971 -4.971 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.240 -13.386 -3.747 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.351 -17.421 -1.837 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.997 -18.686 -2.136 1.00 0.00 C ATOM 1006 C GLY A 70 -9.651 -19.765 -1.129 1.00 0.00 C ATOM 1007 O GLY A 70 -9.665 -20.952 -1.453 1.00 0.00 O ATOM 0 H GLY A 70 -8.433 -17.298 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.077 -18.543 -2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.702 -19.015 -3.132 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.338 -19.352 0.095 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.985 -20.293 1.152 1.00 0.00 C ATOM 1013 C GLU A 71 -9.707 -19.949 2.451 1.00 0.00 C ATOM 1014 O GLU A 71 -10.281 -20.820 3.106 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.472 -20.293 1.380 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.727 -21.303 0.523 1.00 0.00 C ATOM 1017 CD GLU A 71 -7.207 -22.724 0.746 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -6.662 -23.399 1.644 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -8.126 -23.161 0.022 1.00 0.00 O ATOM 0 H GLU A 71 -9.322 -18.373 0.379 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.298 -21.288 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.082 -19.296 1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.271 -20.503 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.850 -21.043 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.661 -21.245 0.743 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.673 -18.673 2.819 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.323 -18.211 4.041 1.00 0.00 C ATOM 1028 C LEU A 72 -11.836 -18.138 3.859 1.00 0.00 C ATOM 1029 O LEU A 72 -12.591 -18.781 4.588 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.780 -16.839 4.444 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.365 -16.822 5.024 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.349 -17.221 3.966 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.038 -15.448 5.590 1.00 0.00 C ATOM 0 H LEU A 72 -9.202 -17.940 2.289 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.105 -18.928 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.800 -16.191 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.458 -16.403 5.178 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.317 -17.548 5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.348 -17.203 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.572 -18.226 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.397 -16.520 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.027 -15.454 5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.105 -14.703 4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.747 -15.202 6.380 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.271 -17.352 2.879 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.694 -17.196 2.600 1.00 0.00 C ATOM 1047 C PHE A 73 -14.238 -18.410 1.853 1.00 0.00 C ATOM 1048 O PHE A 73 -15.320 -18.909 2.162 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.938 -15.927 1.781 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.156 -14.740 2.266 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.465 -14.139 3.476 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -12.113 -14.226 1.514 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.747 -13.046 3.924 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.391 -13.134 1.958 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.709 -12.544 3.165 1.00 0.00 C ATOM 0 H PHE A 73 -11.659 -16.814 2.266 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.219 -17.112 3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.680 -16.121 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -15.001 -15.687 1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.275 -14.529 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.861 -14.684 0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.998 -12.585 4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.580 -12.743 1.362 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.147 -11.691 3.515 1.00 0.00 H new ATOM 1065 N ALA A 74 -13.480 -18.879 0.867 1.00 0.00 N ATOM 1066 CA ALA A 74 -13.884 -20.035 0.076 1.00 0.00 C ATOM 1067 C ALA A 74 -13.233 -21.312 0.598 1.00 0.00 C ATOM 1068 O ALA A 74 -12.011 -21.390 0.723 1.00 0.00 O ATOM 1069 CB ALA A 74 -13.532 -19.821 -1.388 1.00 0.00 C ATOM 0 H ALA A 74 -12.583 -18.476 0.597 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.965 -20.147 0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.839 -20.692 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.049 -18.937 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.456 -19.681 -1.487 1.00 0.00 H new ATOM 1075 N SER A 75 -14.058 -22.310 0.901 1.00 0.00 N ATOM 1076 CA SER A 75 -13.562 -23.582 1.413 1.00 0.00 C ATOM 1077 C SER A 75 -12.819 -23.384 2.731 1.00 0.00 C ATOM 1078 O SER A 75 -11.778 -23.996 2.967 1.00 0.00 O ATOM 1079 CB SER A 75 -12.639 -24.244 0.388 1.00 0.00 C ATOM 1080 OG SER A 75 -13.381 -24.794 -0.686 1.00 0.00 O ATOM 0 H SER A 75 -15.072 -22.262 0.801 1.00 0.00 H new ATOM 0 HA SER A 75 -14.418 -24.232 1.593 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.929 -23.510 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 75 -12.057 -25.029 0.871 1.00 0.00 H new ATOM 0 HG SER A 75 -12.768 -25.210 -1.328 1.00 0.00 H new ATOM 1086 N GLY A 76 -13.363 -22.524 3.587 1.00 0.00 N ATOM 1087 CA GLY A 76 -12.739 -22.260 4.870 1.00 0.00 C ATOM 1088 C GLY A 76 -13.355 -23.074 5.992 1.00 0.00 C ATOM 1089 O GLY A 76 -12.887 -24.163 6.326 1.00 0.00 O ATOM 0 H GLY A 76 -14.224 -22.006 3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.674 -22.483 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.829 -21.199 5.103 1.00 0.00 H new ATOM 1093 N PRO A 77 -14.428 -22.541 6.595 1.00 0.00 N ATOM 1094 CA PRO A 77 -15.130 -23.207 7.695 1.00 0.00 C ATOM 1095 C PRO A 77 -15.884 -24.449 7.234 1.00 0.00 C ATOM 1096 O PRO A 77 -15.867 -25.482 7.904 1.00 0.00 O ATOM 1097 CB PRO A 77 -16.109 -22.140 8.189 1.00 0.00 C ATOM 1098 CG PRO A 77 -16.334 -21.257 7.010 1.00 0.00 C ATOM 1099 CD PRO A 77 -15.038 -21.246 6.248 1.00 0.00 C ATOM 0 HA PRO A 77 -14.442 -23.561 8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.042 -22.587 8.532 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -15.695 -21.581 9.029 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.148 -21.633 6.390 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.611 -20.250 7.323 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.204 -21.154 5.175 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.404 -20.411 6.545 1.00 0.00 H new ATOM 1107 N SER A 78 -16.545 -24.343 6.085 1.00 0.00 N ATOM 1108 CA SER A 78 -17.308 -25.457 5.536 1.00 0.00 C ATOM 1109 C SER A 78 -17.231 -25.469 4.012 1.00 0.00 C ATOM 1110 O SER A 78 -16.689 -24.550 3.400 1.00 0.00 O ATOM 1111 CB SER A 78 -18.769 -25.372 5.984 1.00 0.00 C ATOM 1112 OG SER A 78 -18.958 -26.017 7.231 1.00 0.00 O ATOM 0 H SER A 78 -16.567 -23.496 5.517 1.00 0.00 H new ATOM 0 HA SER A 78 -16.874 -26.383 5.912 1.00 0.00 H new ATOM 0 HB2 SER A 78 -19.068 -24.327 6.063 1.00 0.00 H new ATOM 0 HB3 SER A 78 -19.411 -25.832 5.232 1.00 0.00 H new ATOM 0 HG SER A 78 -18.113 -26.022 7.728 1.00 0.00 H new ATOM 1118 N SER A 79 -17.777 -26.519 3.407 1.00 0.00 N ATOM 1119 CA SER A 79 -17.768 -26.655 1.955 1.00 0.00 C ATOM 1120 C SER A 79 -19.179 -26.530 1.389 1.00 0.00 C ATOM 1121 O SER A 79 -20.057 -27.335 1.696 1.00 0.00 O ATOM 1122 CB SER A 79 -17.161 -28.000 1.552 1.00 0.00 C ATOM 1123 OG SER A 79 -16.594 -27.935 0.255 1.00 0.00 O ATOM 0 H SER A 79 -18.231 -27.288 3.900 1.00 0.00 H new ATOM 0 HA SER A 79 -17.158 -25.851 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.396 -28.288 2.273 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.930 -28.772 1.578 1.00 0.00 H new ATOM 0 HG SER A 79 -16.211 -28.806 0.021 1.00 0.00 H new ATOM 1129 N GLY A 80 -19.389 -25.513 0.558 1.00 0.00 N ATOM 1130 CA GLY A 80 -20.694 -25.301 -0.039 1.00 0.00 C ATOM 1131 C GLY A 80 -20.666 -25.412 -1.550 1.00 0.00 C ATOM 1132 O GLY A 80 -20.345 -24.429 -2.217 1.00 0.00 O ATOM 0 H GLY A 80 -18.679 -24.833 0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -21.397 -26.031 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -21.063 -24.315 0.243 1.00 0.00 H new TER 1136 GLY A 80 HETATM 1137 ZN ZN A 201 4.542 1.859 5.055 1.00 0.00 ZN HETATM 1138 ZN ZN A 401 -2.259 -14.714 1.391 1.00 0.00 ZN