USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 758 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 58 SER OG : rot -74:sc= 0.0249 USER MOD Set 1.2: A 67 HIS : no HD1:sc= -0.334 X(o=-0.31,f=-0.018) USER MOD Set 2.1: A 38 GLN : amide:sc= -0.573 X(o=-0.64,f=-0.68) USER MOD Set 2.2: A 42 MET CE :methyl -113:sc= -0.0677 (180deg=-0.411) USER MOD Set 3.1: A 22 TYR OH : rot 24:sc= 0.157 USER MOD Set 3.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -32:sc= 0.194 USER MOD Single : A 23 MET CE :methyl 174:sc= -0.0743 (180deg=-0.163) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 29 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.5!) USER MOD Single : A 32 GLN : amide:sc= -1.93! C(o=-1.9!,f=-13!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.664 K(o=-0.66,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.0681 X(o=-0.068,f=-0.37) USER MOD Single : A 48 SER OG : rot 180:sc= -0.287 USER MOD Single : A 60 SER OG : rot 101:sc= 1.25 USER MOD Single : A 62 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.054) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -16:sc= 0.894 USER MOD Single : A 71 ASN : amide:sc= -0.388 K(o=-0.39,f=-0.93) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.764 K(o=-0.76,f=-1.7) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.121 X(o=-0.12,f=0.32) USER MOD Single : A 87 HIS : no HD1:sc= -9.29! C(o=-9.3!,f=-12!) USER MOD Single : A 95 TYR OH : rot 120:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.938 X(o=-0.94,f=-0.62) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -48:sc= 0.0748 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0566 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 -4.339 12.607 -4.712 1.00 0.00 N ATOM 106 CA ALA A 11 -4.686 11.208 -4.496 1.00 0.00 C ATOM 107 C ALA A 11 -5.409 10.629 -5.708 1.00 0.00 C ATOM 108 O ALA A 11 -6.429 9.954 -5.570 1.00 0.00 O ATOM 109 CB ALA A 11 -5.544 11.063 -3.248 1.00 0.00 C ATOM 0 HA ALA A 11 -3.762 10.648 -4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.795 10.013 -3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.992 11.430 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.460 11.642 -3.367 1.00 0.00 H new ATOM 115 N ARG A 12 -4.874 10.897 -6.894 1.00 0.00 N ATOM 116 CA ARG A 12 -5.470 10.404 -8.130 1.00 0.00 C ATOM 117 C ARG A 12 -4.608 9.308 -8.750 1.00 0.00 C ATOM 118 O ARG A 12 -3.790 9.571 -9.632 1.00 0.00 O ATOM 119 CB ARG A 12 -5.651 11.550 -9.127 1.00 0.00 C ATOM 120 CG ARG A 12 -6.726 12.546 -8.722 1.00 0.00 C ATOM 121 CD ARG A 12 -8.120 11.969 -8.914 1.00 0.00 C ATOM 122 NE ARG A 12 -9.123 12.694 -8.140 1.00 0.00 N ATOM 123 CZ ARG A 12 -10.416 12.711 -8.445 1.00 0.00 C ATOM 124 NH1 ARG A 12 -10.859 12.047 -9.503 1.00 0.00 N ATOM 125 NH2 ARG A 12 -11.268 13.394 -7.691 1.00 0.00 N ATOM 0 H ARG A 12 -4.029 11.453 -7.026 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.446 9.983 -7.890 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.703 12.077 -9.238 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.902 11.135 -10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.588 12.828 -7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.623 13.455 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.384 12.002 -9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.122 10.920 -8.618 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.814 13.216 -7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.207 11.521 -10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.852 12.062 -9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.930 13.907 -6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.260 13.406 -7.926 1.00 0.00 H new ATOM 139 N PHE A 13 -4.796 8.079 -8.282 1.00 0.00 N ATOM 140 CA PHE A 13 -4.034 6.943 -8.788 1.00 0.00 C ATOM 141 C PHE A 13 -4.916 5.702 -8.896 1.00 0.00 C ATOM 142 O PHE A 13 -6.079 5.717 -8.493 1.00 0.00 O ATOM 143 CB PHE A 13 -2.839 6.656 -7.877 1.00 0.00 C ATOM 144 CG PHE A 13 -3.229 6.305 -6.470 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.639 7.289 -5.585 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.186 4.991 -6.032 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.998 6.969 -4.289 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.544 4.665 -4.737 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.951 5.655 -3.865 1.00 0.00 C ATOM 0 H PHE A 13 -5.470 7.844 -7.553 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.669 7.196 -9.784 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.259 5.836 -8.300 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.189 7.530 -7.858 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.679 8.318 -5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.869 4.212 -6.710 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.315 7.745 -3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.505 3.637 -4.408 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.232 5.403 -2.853 1.00 0.00 H new ATOM 159 N ASP A 14 -4.354 4.630 -9.444 1.00 0.00 N ATOM 160 CA ASP A 14 -5.087 3.380 -9.605 1.00 0.00 C ATOM 161 C ASP A 14 -4.693 2.376 -8.526 1.00 0.00 C ATOM 162 O ASP A 14 -3.541 1.947 -8.454 1.00 0.00 O ATOM 163 CB ASP A 14 -4.828 2.787 -10.991 1.00 0.00 C ATOM 164 CG ASP A 14 -5.147 3.762 -12.107 1.00 0.00 C ATOM 165 OD1 ASP A 14 -6.059 4.596 -11.923 1.00 0.00 O ATOM 166 OD2 ASP A 14 -4.486 3.692 -13.164 1.00 0.00 O ATOM 0 H ASP A 14 -3.393 4.602 -9.784 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.151 3.595 -9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.783 2.485 -11.064 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.430 1.887 -11.116 1.00 0.00 H new ATOM 171 N SER A 15 -5.657 2.006 -7.689 1.00 0.00 N ATOM 172 CA SER A 15 -5.409 1.056 -6.611 1.00 0.00 C ATOM 173 C SER A 15 -5.396 -0.375 -7.140 1.00 0.00 C ATOM 174 O SER A 15 -4.689 -1.236 -6.616 1.00 0.00 O ATOM 175 CB SER A 15 -6.474 1.199 -5.522 1.00 0.00 C ATOM 176 OG SER A 15 -7.771 1.288 -6.086 1.00 0.00 O ATOM 0 H SER A 15 -6.616 2.349 -7.737 1.00 0.00 H new ATOM 0 HA SER A 15 -4.431 1.276 -6.184 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.425 0.345 -4.847 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.272 2.089 -4.925 1.00 0.00 H new ATOM 0 HG SER A 15 -8.434 1.377 -5.370 1.00 0.00 H new ATOM 182 N SER A 16 -6.183 -0.621 -8.183 1.00 0.00 N ATOM 183 CA SER A 16 -6.266 -1.948 -8.782 1.00 0.00 C ATOM 184 C SER A 16 -4.990 -2.277 -9.552 1.00 0.00 C ATOM 185 O SER A 16 -4.506 -3.408 -9.518 1.00 0.00 O ATOM 186 CB SER A 16 -7.475 -2.035 -9.714 1.00 0.00 C ATOM 187 OG SER A 16 -8.688 -1.997 -8.982 1.00 0.00 O ATOM 0 H SER A 16 -6.772 0.081 -8.630 1.00 0.00 H new ATOM 0 HA SER A 16 -6.383 -2.676 -7.979 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.450 -1.209 -10.425 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.425 -2.957 -10.294 1.00 0.00 H new ATOM 0 HG SER A 16 -9.446 -2.052 -9.601 1.00 0.00 H new ATOM 193 N ASP A 17 -4.452 -1.280 -10.245 1.00 0.00 N ATOM 194 CA ASP A 17 -3.232 -1.461 -11.023 1.00 0.00 C ATOM 195 C ASP A 17 -2.045 -1.757 -10.112 1.00 0.00 C ATOM 196 O ASP A 17 -1.466 -0.848 -9.517 1.00 0.00 O ATOM 197 CB ASP A 17 -2.948 -0.216 -11.864 1.00 0.00 C ATOM 198 CG ASP A 17 -1.919 -0.471 -12.948 1.00 0.00 C ATOM 199 OD1 ASP A 17 -2.088 -1.448 -13.707 1.00 0.00 O ATOM 200 OD2 ASP A 17 -0.945 0.306 -13.037 1.00 0.00 O ATOM 0 H ASP A 17 -4.841 -0.338 -10.284 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.378 -2.313 -11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.875 0.129 -12.321 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.596 0.585 -11.214 1.00 0.00 H new ATOM 205 N ARG A 18 -1.689 -3.033 -10.007 1.00 0.00 N ATOM 206 CA ARG A 18 -0.572 -3.448 -9.166 1.00 0.00 C ATOM 207 C ARG A 18 0.753 -2.953 -9.739 1.00 0.00 C ATOM 208 O ARG A 18 1.666 -2.593 -8.996 1.00 0.00 O ATOM 209 CB ARG A 18 -0.545 -4.971 -9.033 1.00 0.00 C ATOM 210 CG ARG A 18 -1.353 -5.494 -7.856 1.00 0.00 C ATOM 211 CD ARG A 18 -1.913 -6.880 -8.137 1.00 0.00 C ATOM 212 NE ARG A 18 -3.010 -7.219 -7.235 1.00 0.00 N ATOM 213 CZ ARG A 18 -4.203 -6.635 -7.275 1.00 0.00 C ATOM 214 NH1 ARG A 18 -4.450 -5.687 -8.168 1.00 0.00 N ATOM 215 NH2 ARG A 18 -5.150 -6.999 -6.420 1.00 0.00 N ATOM 0 H ARG A 18 -2.158 -3.797 -10.494 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.709 -3.006 -8.179 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.929 -5.414 -9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.489 -5.300 -8.928 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.723 -5.528 -6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.171 -4.807 -7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.263 -6.927 -9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.119 -7.619 -8.036 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.852 -7.944 -6.535 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.724 -5.405 -8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.366 -5.240 -8.197 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.963 -7.728 -5.731 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.065 -6.550 -6.451 1.00 0.00 H new ATOM 229 N SER A 19 0.850 -2.939 -11.065 1.00 0.00 N ATOM 230 CA SER A 19 2.065 -2.493 -11.738 1.00 0.00 C ATOM 231 C SER A 19 2.305 -1.006 -11.495 1.00 0.00 C ATOM 232 O SER A 19 3.323 -0.454 -11.912 1.00 0.00 O ATOM 233 CB SER A 19 1.971 -2.768 -13.240 1.00 0.00 C ATOM 234 OG SER A 19 3.235 -2.620 -13.864 1.00 0.00 O ATOM 0 H SER A 19 0.102 -3.231 -11.694 1.00 0.00 H new ATOM 0 HA SER A 19 2.906 -3.051 -11.326 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.596 -3.778 -13.406 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.255 -2.083 -13.694 1.00 0.00 H new ATOM 0 HG SER A 19 3.752 -1.931 -13.396 1.00 0.00 H new ATOM 240 N ALA A 20 1.359 -0.363 -10.818 1.00 0.00 N ATOM 241 CA ALA A 20 1.467 1.060 -10.518 1.00 0.00 C ATOM 242 C ALA A 20 1.951 1.284 -9.090 1.00 0.00 C ATOM 243 O ALA A 20 2.669 2.244 -8.811 1.00 0.00 O ATOM 244 CB ALA A 20 0.129 1.749 -10.739 1.00 0.00 C ATOM 0 H ALA A 20 0.509 -0.805 -10.467 1.00 0.00 H new ATOM 0 HA ALA A 20 2.202 1.495 -11.195 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.224 2.811 -10.511 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.176 1.627 -11.778 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.622 1.304 -10.086 1.00 0.00 H new ATOM 250 N TRP A 21 1.552 0.394 -8.189 1.00 0.00 N ATOM 251 CA TRP A 21 1.945 0.495 -6.788 1.00 0.00 C ATOM 252 C TRP A 21 2.685 -0.759 -6.337 1.00 0.00 C ATOM 253 O TRP A 21 3.719 -0.677 -5.673 1.00 0.00 O ATOM 254 CB TRP A 21 0.715 0.721 -5.907 1.00 0.00 C ATOM 255 CG TRP A 21 -0.401 -0.240 -6.187 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.457 -0.046 -7.030 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.570 -1.544 -5.621 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.274 -1.151 -7.022 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.751 -2.085 -6.167 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.162 -2.309 -4.709 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.215 -3.353 -5.828 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.300 -3.568 -4.373 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.478 -4.080 -4.932 1.00 0.00 C ATOM 0 H TRP A 21 0.957 -0.406 -8.403 1.00 0.00 H new ATOM 0 HA TRP A 21 2.618 1.347 -6.686 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.006 0.634 -4.860 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.354 1.739 -6.054 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.626 0.845 -7.617 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.131 -1.258 -7.565 1.00 0.00 H new ATOM 0 HE3 TRP A 21 1.072 -1.924 -4.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.124 -3.749 -6.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.257 -4.167 -3.668 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.811 -5.068 -4.651 1.00 0.00 H new ATOM 274 N TYR A 22 2.150 -1.919 -6.701 1.00 0.00 N ATOM 275 CA TYR A 22 2.759 -3.191 -6.332 1.00 0.00 C ATOM 276 C TYR A 22 4.162 -3.314 -6.919 1.00 0.00 C ATOM 277 O TYR A 22 4.330 -3.449 -8.131 1.00 0.00 O ATOM 278 CB TYR A 22 1.890 -4.355 -6.812 1.00 0.00 C ATOM 279 CG TYR A 22 2.252 -5.681 -6.181 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.486 -5.783 -4.816 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.360 -6.832 -6.952 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.817 -6.992 -4.236 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.689 -8.046 -6.380 1.00 0.00 C ATOM 284 CZ TYR A 22 2.918 -8.121 -5.022 1.00 0.00 C ATOM 285 OH TYR A 22 3.247 -9.327 -4.448 1.00 0.00 O ATOM 0 H TYR A 22 1.296 -2.005 -7.251 1.00 0.00 H new ATOM 0 HA TYR A 22 2.835 -3.227 -5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.846 -4.132 -6.594 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.979 -4.441 -7.895 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.408 -4.901 -4.197 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.184 -6.777 -8.016 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.996 -7.053 -3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.766 -8.932 -6.993 1.00 0.00 H new ATOM 0 HH TYR A 22 3.014 -9.311 -3.496 1.00 0.00 H new ATOM 295 N MET A 23 5.166 -3.267 -6.050 1.00 0.00 N ATOM 296 CA MET A 23 6.555 -3.374 -6.481 1.00 0.00 C ATOM 297 C MET A 23 7.015 -4.829 -6.475 1.00 0.00 C ATOM 298 O MET A 23 8.141 -5.136 -6.864 1.00 0.00 O ATOM 299 CB MET A 23 7.459 -2.538 -5.573 1.00 0.00 C ATOM 300 CG MET A 23 6.978 -1.109 -5.386 1.00 0.00 C ATOM 301 SD MET A 23 7.559 -0.004 -6.687 1.00 0.00 S ATOM 302 CE MET A 23 6.166 1.112 -6.831 1.00 0.00 C ATOM 0 H MET A 23 5.044 -3.156 -5.043 1.00 0.00 H new ATOM 0 HA MET A 23 6.624 -2.993 -7.500 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.527 -3.020 -4.598 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.465 -2.522 -5.991 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.888 -1.097 -5.364 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.320 -0.738 -4.420 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.415 1.918 -7.521 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.300 0.567 -7.207 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.933 1.532 -5.852 1.00 0.00 H new ATOM 312 N GLY A 24 6.135 -5.722 -6.031 1.00 0.00 N ATOM 313 CA GLY A 24 6.470 -7.133 -5.983 1.00 0.00 C ATOM 314 C GLY A 24 7.953 -7.370 -5.780 1.00 0.00 C ATOM 315 O GLY A 24 8.444 -7.437 -4.653 1.00 0.00 O ATOM 0 H GLY A 24 5.196 -5.493 -5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.915 -7.608 -5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.152 -7.610 -6.910 1.00 0.00 H new ATOM 319 N PRO A 25 8.692 -7.504 -6.891 1.00 0.00 N ATOM 320 CA PRO A 25 10.139 -7.739 -6.855 1.00 0.00 C ATOM 321 C PRO A 25 10.913 -6.518 -6.370 1.00 0.00 C ATOM 322 O PRO A 25 11.488 -5.778 -7.167 1.00 0.00 O ATOM 323 CB PRO A 25 10.485 -8.046 -8.315 1.00 0.00 C ATOM 324 CG PRO A 25 9.419 -7.369 -9.106 1.00 0.00 C ATOM 325 CD PRO A 25 8.173 -7.437 -8.267 1.00 0.00 C ATOM 0 HA PRO A 25 10.405 -8.537 -6.162 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.473 -7.667 -8.576 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.496 -9.120 -8.502 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.689 -6.335 -9.320 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.271 -7.865 -10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.540 -6.562 -8.416 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.571 -8.312 -8.512 1.00 0.00 H new ATOM 333 N VAL A 26 10.923 -6.314 -5.056 1.00 0.00 N ATOM 334 CA VAL A 26 11.628 -5.183 -4.464 1.00 0.00 C ATOM 335 C VAL A 26 11.962 -5.449 -3.001 1.00 0.00 C ATOM 336 O VAL A 26 11.090 -5.812 -2.211 1.00 0.00 O ATOM 337 CB VAL A 26 10.797 -3.890 -4.563 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.384 -2.808 -3.669 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.720 -3.416 -6.007 1.00 0.00 C ATOM 0 H VAL A 26 10.451 -6.917 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 26 12.552 -5.056 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 26 9.785 -4.102 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.784 -1.902 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.383 -3.151 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.407 -2.595 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.129 -2.501 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.725 -3.220 -6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.250 -4.186 -6.618 1.00 0.00 H new ATOM 349 N SER A 27 13.229 -5.265 -2.645 1.00 0.00 N ATOM 350 CA SER A 27 13.679 -5.488 -1.277 1.00 0.00 C ATOM 351 C SER A 27 13.508 -4.226 -0.436 1.00 0.00 C ATOM 352 O SER A 27 13.070 -3.189 -0.935 1.00 0.00 O ATOM 353 CB SER A 27 15.145 -5.927 -1.264 1.00 0.00 C ATOM 354 OG SER A 27 15.921 -5.139 -2.150 1.00 0.00 O ATOM 0 H SER A 27 13.962 -4.962 -3.286 1.00 0.00 H new ATOM 0 HA SER A 27 13.066 -6.279 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.544 -5.843 -0.253 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.216 -6.977 -1.549 1.00 0.00 H new ATOM 0 HG SER A 27 16.854 -5.438 -2.122 1.00 0.00 H new ATOM 360 N ARG A 28 13.857 -4.323 0.843 1.00 0.00 N ATOM 361 CA ARG A 28 13.740 -3.191 1.754 1.00 0.00 C ATOM 362 C ARG A 28 14.766 -2.113 1.416 1.00 0.00 C ATOM 363 O ARG A 28 14.445 -0.925 1.389 1.00 0.00 O ATOM 364 CB ARG A 28 13.928 -3.652 3.201 1.00 0.00 C ATOM 365 CG ARG A 28 13.520 -2.610 4.230 1.00 0.00 C ATOM 366 CD ARG A 28 14.655 -1.640 4.520 1.00 0.00 C ATOM 367 NE ARG A 28 14.527 -1.026 5.839 1.00 0.00 N ATOM 368 CZ ARG A 28 14.627 -1.704 6.977 1.00 0.00 C ATOM 369 NH1 ARG A 28 14.855 -3.010 6.957 1.00 0.00 N ATOM 370 NH2 ARG A 28 14.499 -1.075 8.138 1.00 0.00 N ATOM 0 H ARG A 28 14.223 -5.173 1.271 1.00 0.00 H new ATOM 0 HA ARG A 28 12.742 -2.768 1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.345 -4.558 3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.974 -3.914 3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.652 -2.059 3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.219 -3.106 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.607 -2.167 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.670 -0.861 3.758 1.00 0.00 H new ATOM 0 HE ARG A 28 14.351 -0.022 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.954 -3.497 6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.931 -3.528 7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.324 -0.070 8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.576 -1.596 9.012 1.00 0.00 H new ATOM 384 N GLN A 29 15.999 -2.537 1.159 1.00 0.00 N ATOM 385 CA GLN A 29 17.072 -1.607 0.824 1.00 0.00 C ATOM 386 C GLN A 29 16.703 -0.767 -0.394 1.00 0.00 C ATOM 387 O GLN A 29 17.107 0.390 -0.507 1.00 0.00 O ATOM 388 CB GLN A 29 18.371 -2.369 0.559 1.00 0.00 C ATOM 389 CG GLN A 29 18.668 -3.444 1.592 1.00 0.00 C ATOM 390 CD GLN A 29 20.153 -3.701 1.757 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.974 -2.800 1.581 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.507 -4.935 2.096 1.00 0.00 N ATOM 0 H GLN A 29 16.280 -3.517 1.176 1.00 0.00 H new ATOM 0 HA GLN A 29 17.218 -0.939 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.317 -2.830 -0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 29 19.199 -1.661 0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.246 -3.147 2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.173 -4.370 1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.793 -5.651 2.232 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.492 -5.167 2.221 1.00 0.00 H new ATOM 401 N GLU A 30 15.934 -1.358 -1.303 1.00 0.00 N ATOM 402 CA GLU A 30 15.512 -0.663 -2.514 1.00 0.00 C ATOM 403 C GLU A 30 14.325 0.254 -2.230 1.00 0.00 C ATOM 404 O GLU A 30 14.444 1.477 -2.291 1.00 0.00 O ATOM 405 CB GLU A 30 15.142 -1.671 -3.605 1.00 0.00 C ATOM 406 CG GLU A 30 14.842 -1.030 -4.949 1.00 0.00 C ATOM 407 CD GLU A 30 15.079 -1.975 -6.112 1.00 0.00 C ATOM 408 OE1 GLU A 30 14.563 -3.110 -6.069 1.00 0.00 O ATOM 409 OE2 GLU A 30 15.782 -1.577 -7.064 1.00 0.00 O ATOM 0 H GLU A 30 15.591 -2.315 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 30 16.346 -0.053 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.961 -2.381 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.271 -2.241 -3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.805 -0.694 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.465 -0.144 -5.072 1.00 0.00 H new ATOM 416 N ALA A 31 13.181 -0.348 -1.921 1.00 0.00 N ATOM 417 CA ALA A 31 11.974 0.413 -1.626 1.00 0.00 C ATOM 418 C ALA A 31 12.308 1.719 -0.913 1.00 0.00 C ATOM 419 O ALA A 31 11.718 2.760 -1.198 1.00 0.00 O ATOM 420 CB ALA A 31 11.017 -0.420 -0.785 1.00 0.00 C ATOM 0 H ALA A 31 13.065 -1.360 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 31 11.490 0.659 -2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.120 0.161 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.744 -1.323 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.501 -0.696 0.152 1.00 0.00 H new ATOM 426 N GLN A 32 13.257 1.655 0.015 1.00 0.00 N ATOM 427 CA GLN A 32 13.668 2.833 0.770 1.00 0.00 C ATOM 428 C GLN A 32 14.205 3.915 -0.161 1.00 0.00 C ATOM 429 O GLN A 32 13.753 5.060 -0.126 1.00 0.00 O ATOM 430 CB GLN A 32 14.732 2.458 1.803 1.00 0.00 C ATOM 431 CG GLN A 32 14.154 1.969 3.121 1.00 0.00 C ATOM 432 CD GLN A 32 15.149 2.056 4.262 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.529 1.042 4.848 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.576 3.271 4.584 1.00 0.00 N ATOM 0 H GLN A 32 13.756 0.800 0.262 1.00 0.00 H new ATOM 0 HA GLN A 32 12.793 3.226 1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.373 1.681 1.386 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.364 3.325 1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.271 2.559 3.368 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.825 0.936 3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.235 4.084 4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.246 3.391 5.344 1.00 0.00 H new ATOM 443 N THR A 33 15.173 3.546 -0.993 1.00 0.00 N ATOM 444 CA THR A 33 15.774 4.485 -1.932 1.00 0.00 C ATOM 445 C THR A 33 14.718 5.106 -2.839 1.00 0.00 C ATOM 446 O THR A 33 14.904 6.204 -3.364 1.00 0.00 O ATOM 447 CB THR A 33 16.844 3.802 -2.803 1.00 0.00 C ATOM 448 OG1 THR A 33 17.612 4.789 -3.500 1.00 0.00 O ATOM 449 CG2 THR A 33 16.203 2.852 -3.804 1.00 0.00 C ATOM 0 H THR A 33 15.558 2.602 -1.036 1.00 0.00 H new ATOM 0 HA THR A 33 16.246 5.268 -1.338 1.00 0.00 H new ATOM 0 HB THR A 33 17.499 3.227 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.291 4.346 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 33 16.979 2.382 -4.408 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.643 2.084 -3.270 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.527 3.409 -4.452 1.00 0.00 H new ATOM 457 N ARG A 34 13.608 4.397 -3.020 1.00 0.00 N ATOM 458 CA ARG A 34 12.522 4.880 -3.864 1.00 0.00 C ATOM 459 C ARG A 34 11.676 5.913 -3.125 1.00 0.00 C ATOM 460 O ARG A 34 11.128 6.833 -3.734 1.00 0.00 O ATOM 461 CB ARG A 34 11.642 3.713 -4.316 1.00 0.00 C ATOM 462 CG ARG A 34 12.423 2.448 -4.633 1.00 0.00 C ATOM 463 CD ARG A 34 11.670 1.559 -5.611 1.00 0.00 C ATOM 464 NE ARG A 34 12.000 1.870 -6.999 1.00 0.00 N ATOM 465 CZ ARG A 34 11.409 1.297 -8.041 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.462 0.389 -7.853 1.00 0.00 N ATOM 467 NH2 ARG A 34 11.764 1.634 -9.275 1.00 0.00 N ATOM 0 H ARG A 34 13.438 3.486 -2.593 1.00 0.00 H new ATOM 0 HA ARG A 34 12.961 5.356 -4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.914 3.494 -3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.080 4.014 -5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.393 2.714 -5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.615 1.897 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.906 0.515 -5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.597 1.679 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 34 12.724 2.566 -7.178 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.186 0.129 -6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.010 -0.050 -8.655 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.491 2.334 -9.423 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.309 1.193 -10.075 1.00 0.00 H new ATOM 481 N LEU A 35 11.573 5.754 -1.810 1.00 0.00 N ATOM 482 CA LEU A 35 10.794 6.672 -0.987 1.00 0.00 C ATOM 483 C LEU A 35 11.696 7.450 -0.035 1.00 0.00 C ATOM 484 O LEU A 35 11.221 8.076 0.912 1.00 0.00 O ATOM 485 CB LEU A 35 9.736 5.904 -0.193 1.00 0.00 C ATOM 486 CG LEU A 35 9.037 4.763 -0.934 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.351 3.829 0.050 1.00 0.00 C ATOM 488 CD2 LEU A 35 8.035 5.314 -1.938 1.00 0.00 C ATOM 0 H LEU A 35 12.019 4.998 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 35 10.298 7.382 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.207 5.495 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.977 6.611 0.142 1.00 0.00 H new ATOM 0 HG LEU A 35 9.790 4.193 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.859 3.024 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.092 3.408 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.609 4.385 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.547 4.488 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.285 5.908 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.554 5.941 -2.663 1.00 0.00 H new ATOM 500 N GLN A 36 12.999 7.406 -0.294 1.00 0.00 N ATOM 501 CA GLN A 36 13.967 8.108 0.540 1.00 0.00 C ATOM 502 C GLN A 36 14.110 9.562 0.102 1.00 0.00 C ATOM 503 O GLN A 36 14.682 9.852 -0.948 1.00 0.00 O ATOM 504 CB GLN A 36 15.327 7.409 0.478 1.00 0.00 C ATOM 505 CG GLN A 36 16.460 8.230 1.071 1.00 0.00 C ATOM 506 CD GLN A 36 16.501 8.163 2.584 1.00 0.00 C ATOM 507 OE1 GLN A 36 17.427 7.600 3.168 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.494 8.740 3.230 1.00 0.00 N ATOM 0 H GLN A 36 13.408 6.892 -1.074 1.00 0.00 H new ATOM 0 HA GLN A 36 13.603 8.091 1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.262 6.459 1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.561 7.179 -0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.409 7.875 0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.352 9.269 0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.747 9.196 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.468 8.727 4.250 1.00 0.00 H new ATOM 517 N GLY A 37 13.584 10.474 0.915 1.00 0.00 N ATOM 518 CA GLY A 37 13.663 11.887 0.594 1.00 0.00 C ATOM 519 C GLY A 37 12.609 12.313 -0.409 1.00 0.00 C ATOM 520 O GLY A 37 12.538 13.484 -0.782 1.00 0.00 O ATOM 0 H GLY A 37 13.105 10.259 1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.548 12.471 1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.652 12.111 0.194 1.00 0.00 H new ATOM 524 N GLN A 38 11.791 11.362 -0.846 1.00 0.00 N ATOM 525 CA GLN A 38 10.738 11.645 -1.814 1.00 0.00 C ATOM 526 C GLN A 38 9.621 12.465 -1.177 1.00 0.00 C ATOM 527 O GLN A 38 9.592 12.655 0.039 1.00 0.00 O ATOM 528 CB GLN A 38 10.172 10.342 -2.380 1.00 0.00 C ATOM 529 CG GLN A 38 11.069 9.689 -3.419 1.00 0.00 C ATOM 530 CD GLN A 38 11.711 10.697 -4.351 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.849 11.118 -4.141 1.00 0.00 O ATOM 532 NE2 GLN A 38 10.983 11.091 -5.390 1.00 0.00 N ATOM 0 H GLN A 38 11.837 10.388 -0.545 1.00 0.00 H new ATOM 0 HA GLN A 38 11.173 12.226 -2.627 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.008 9.641 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.198 10.543 -2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.849 9.119 -2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.484 8.980 -4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.044 10.716 -5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.363 11.768 -6.052 1.00 0.00 H new ATOM 541 N ARG A 39 8.702 12.949 -2.007 1.00 0.00 N ATOM 542 CA ARG A 39 7.583 13.750 -1.526 1.00 0.00 C ATOM 543 C ARG A 39 6.764 12.977 -0.496 1.00 0.00 C ATOM 544 O ARG A 39 6.626 11.756 -0.587 1.00 0.00 O ATOM 545 CB ARG A 39 6.689 14.170 -2.694 1.00 0.00 C ATOM 546 CG ARG A 39 6.166 13.000 -3.511 1.00 0.00 C ATOM 547 CD ARG A 39 5.137 13.452 -4.536 1.00 0.00 C ATOM 548 NE ARG A 39 4.278 14.514 -4.017 1.00 0.00 N ATOM 549 CZ ARG A 39 4.595 15.803 -4.062 1.00 0.00 C ATOM 550 NH1 ARG A 39 5.745 16.188 -4.599 1.00 0.00 N ATOM 551 NH2 ARG A 39 3.762 16.710 -3.569 1.00 0.00 N ATOM 0 H ARG A 39 8.711 12.800 -3.016 1.00 0.00 H new ATOM 0 HA ARG A 39 7.987 14.642 -1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.844 14.739 -2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.250 14.837 -3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.996 12.510 -4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.719 12.261 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.648 13.804 -5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.523 12.602 -4.833 1.00 0.00 H new ATOM 0 HE ARG A 39 3.386 14.251 -3.597 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.388 15.494 -4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.986 17.179 -4.632 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.877 16.418 -3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.007 17.700 -3.604 1.00 0.00 H new ATOM 565 N HIS A 40 6.224 13.695 0.483 1.00 0.00 N ATOM 566 CA HIS A 40 5.418 13.076 1.530 1.00 0.00 C ATOM 567 C HIS A 40 4.090 12.578 0.970 1.00 0.00 C ATOM 568 O HIS A 40 3.293 13.357 0.448 1.00 0.00 O ATOM 569 CB HIS A 40 5.166 14.071 2.664 1.00 0.00 C ATOM 570 CG HIS A 40 6.345 14.259 3.569 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.471 15.330 4.427 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.453 13.502 3.747 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.607 15.226 5.094 1.00 0.00 C ATOM 574 NE2 HIS A 40 8.222 14.125 4.700 1.00 0.00 N ATOM 0 H HIS A 40 6.330 14.705 0.574 1.00 0.00 H new ATOM 0 HA HIS A 40 5.970 12.222 1.922 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.890 15.035 2.236 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.316 13.729 3.254 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.793 16.085 4.531 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.689 12.580 3.235 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.971 15.922 5.835 1.00 0.00 H new ATOM 583 N GLY A 41 3.858 11.273 1.082 1.00 0.00 N ATOM 584 CA GLY A 41 2.625 10.694 0.582 1.00 0.00 C ATOM 585 C GLY A 41 2.866 9.457 -0.261 1.00 0.00 C ATOM 586 O GLY A 41 2.000 8.588 -0.362 1.00 0.00 O ATOM 0 H GLY A 41 4.502 10.607 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.981 10.437 1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.093 11.437 -0.012 1.00 0.00 H new ATOM 590 N MET A 42 4.045 9.378 -0.869 1.00 0.00 N ATOM 591 CA MET A 42 4.397 8.238 -1.708 1.00 0.00 C ATOM 592 C MET A 42 4.217 6.928 -0.949 1.00 0.00 C ATOM 593 O MET A 42 4.370 6.880 0.272 1.00 0.00 O ATOM 594 CB MET A 42 5.842 8.364 -2.196 1.00 0.00 C ATOM 595 CG MET A 42 6.126 7.573 -3.463 1.00 0.00 C ATOM 596 SD MET A 42 7.661 8.074 -4.265 1.00 0.00 S ATOM 597 CE MET A 42 7.175 9.645 -4.975 1.00 0.00 C ATOM 0 H MET A 42 4.773 10.089 -0.797 1.00 0.00 H new ATOM 0 HA MET A 42 3.729 8.233 -2.569 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.066 9.415 -2.376 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.514 8.025 -1.408 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.177 6.512 -3.220 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.298 7.701 -4.160 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.176 9.569 -6.062 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.175 9.906 -4.630 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.879 10.418 -4.665 1.00 0.00 H new ATOM 607 N PHE A 43 3.890 5.866 -1.678 1.00 0.00 N ATOM 608 CA PHE A 43 3.687 4.555 -1.073 1.00 0.00 C ATOM 609 C PHE A 43 3.926 3.443 -2.090 1.00 0.00 C ATOM 610 O PHE A 43 3.984 3.691 -3.295 1.00 0.00 O ATOM 611 CB PHE A 43 2.271 4.446 -0.504 1.00 0.00 C ATOM 612 CG PHE A 43 1.230 4.141 -1.543 1.00 0.00 C ATOM 613 CD1 PHE A 43 0.644 5.160 -2.276 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.838 2.834 -1.787 1.00 0.00 C ATOM 615 CE1 PHE A 43 -0.314 4.882 -3.233 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.119 2.551 -2.743 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.697 3.576 -3.466 1.00 0.00 C ATOM 0 H PHE A 43 3.760 5.888 -2.689 1.00 0.00 H new ATOM 0 HA PHE A 43 4.407 4.442 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.253 3.666 0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.014 5.382 -0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.939 6.184 -2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.285 2.028 -1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.763 5.686 -3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.415 1.528 -2.925 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.447 3.357 -4.212 1.00 0.00 H new ATOM 627 N LEU A 44 4.065 2.218 -1.596 1.00 0.00 N ATOM 628 CA LEU A 44 4.299 1.067 -2.461 1.00 0.00 C ATOM 629 C LEU A 44 4.147 -0.237 -1.685 1.00 0.00 C ATOM 630 O LEU A 44 4.360 -0.279 -0.473 1.00 0.00 O ATOM 631 CB LEU A 44 5.695 1.144 -3.081 1.00 0.00 C ATOM 632 CG LEU A 44 6.869 1.056 -2.105 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.139 -0.391 -1.725 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.113 1.692 -2.708 1.00 0.00 C ATOM 0 H LEU A 44 4.020 1.996 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 44 3.554 1.085 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.792 0.338 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.775 2.082 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 44 6.607 1.605 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.978 -0.434 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.253 -0.814 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.380 -0.963 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.938 1.620 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.378 1.171 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.915 2.741 -2.929 1.00 0.00 H new ATOM 646 N VAL A 45 3.779 -1.302 -2.392 1.00 0.00 N ATOM 647 CA VAL A 45 3.602 -2.608 -1.770 1.00 0.00 C ATOM 648 C VAL A 45 4.484 -3.658 -2.435 1.00 0.00 C ATOM 649 O VAL A 45 4.331 -3.952 -3.621 1.00 0.00 O ATOM 650 CB VAL A 45 2.134 -3.069 -1.840 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.947 -4.376 -1.084 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.211 -1.990 -1.292 1.00 0.00 C ATOM 0 H VAL A 45 3.598 -1.285 -3.396 1.00 0.00 H new ATOM 0 HA VAL A 45 3.893 -2.502 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 45 1.875 -3.242 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.904 -4.685 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.580 -5.146 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.223 -4.235 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.178 -2.332 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.469 -1.784 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.325 -1.080 -1.881 1.00 0.00 H new ATOM 662 N ARG A 46 5.409 -4.221 -1.664 1.00 0.00 N ATOM 663 CA ARG A 46 6.318 -5.238 -2.179 1.00 0.00 C ATOM 664 C ARG A 46 6.159 -6.547 -1.412 1.00 0.00 C ATOM 665 O ARG A 46 5.385 -6.630 -0.458 1.00 0.00 O ATOM 666 CB ARG A 46 7.765 -4.753 -2.088 1.00 0.00 C ATOM 667 CG ARG A 46 8.137 -4.200 -0.722 1.00 0.00 C ATOM 668 CD ARG A 46 9.438 -3.414 -0.774 1.00 0.00 C ATOM 669 NE ARG A 46 10.173 -3.487 0.486 1.00 0.00 N ATOM 670 CZ ARG A 46 10.662 -4.616 0.987 1.00 0.00 C ATOM 671 NH1 ARG A 46 10.496 -5.760 0.337 1.00 0.00 N ATOM 672 NH2 ARG A 46 11.320 -4.602 2.139 1.00 0.00 N ATOM 0 H ARG A 46 5.549 -3.990 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 46 6.068 -5.417 -3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.432 -5.580 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.929 -3.981 -2.840 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.336 -3.556 -0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.234 -5.020 -0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.062 -3.799 -1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.222 -2.371 -1.008 1.00 0.00 H new ATOM 0 HE ARG A 46 10.319 -2.624 1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.992 -5.774 -0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.872 -6.626 0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.451 -3.724 2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.695 -5.469 2.523 1.00 0.00 H new ATOM 686 N ASP A 47 6.897 -7.568 -1.835 1.00 0.00 N ATOM 687 CA ASP A 47 6.839 -8.873 -1.188 1.00 0.00 C ATOM 688 C ASP A 47 7.635 -8.870 0.114 1.00 0.00 C ATOM 689 O ASP A 47 8.849 -8.669 0.110 1.00 0.00 O ATOM 690 CB ASP A 47 7.375 -9.956 -2.126 1.00 0.00 C ATOM 691 CG ASP A 47 7.305 -11.340 -1.512 1.00 0.00 C ATOM 692 OD1 ASP A 47 6.181 -11.810 -1.237 1.00 0.00 O ATOM 693 OD2 ASP A 47 8.373 -11.954 -1.307 1.00 0.00 O ATOM 0 H ASP A 47 7.542 -7.517 -2.623 1.00 0.00 H new ATOM 0 HA ASP A 47 5.796 -9.089 -0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.803 -9.944 -3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.409 -9.729 -2.385 1.00 0.00 H new ATOM 698 N SER A 48 6.942 -9.094 1.226 1.00 0.00 N ATOM 699 CA SER A 48 7.584 -9.112 2.535 1.00 0.00 C ATOM 700 C SER A 48 8.563 -10.277 2.645 1.00 0.00 C ATOM 701 O SER A 48 8.167 -11.441 2.596 1.00 0.00 O ATOM 702 CB SER A 48 6.531 -9.210 3.641 1.00 0.00 C ATOM 703 OG SER A 48 7.093 -8.917 4.908 1.00 0.00 O ATOM 0 H SER A 48 5.937 -9.265 1.247 1.00 0.00 H new ATOM 0 HA SER A 48 8.140 -8.182 2.652 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.715 -8.518 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.103 -10.213 3.652 1.00 0.00 H new ATOM 0 HG SER A 48 6.399 -8.985 5.597 1.00 0.00 H new ATOM 766 N ASP A 54 3.155 -12.536 3.532 1.00 0.00 N ATOM 767 CA ASP A 54 2.936 -11.211 4.099 1.00 0.00 C ATOM 768 C ASP A 54 3.509 -10.129 3.189 1.00 0.00 C ATOM 769 O ASP A 54 4.345 -10.406 2.328 1.00 0.00 O ATOM 770 CB ASP A 54 3.572 -11.115 5.487 1.00 0.00 C ATOM 771 CG ASP A 54 2.945 -12.076 6.478 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.785 -11.843 6.878 1.00 0.00 O ATOM 773 OD2 ASP A 54 3.614 -13.062 6.854 1.00 0.00 O ATOM 0 HA ASP A 54 1.861 -11.055 4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.639 -11.322 5.410 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.471 -10.096 5.860 1.00 0.00 H new ATOM 778 N TYR A 55 3.053 -8.896 3.384 1.00 0.00 N ATOM 779 CA TYR A 55 3.517 -7.773 2.578 1.00 0.00 C ATOM 780 C TYR A 55 3.909 -6.594 3.462 1.00 0.00 C ATOM 781 O TYR A 55 3.582 -6.556 4.648 1.00 0.00 O ATOM 782 CB TYR A 55 2.432 -7.345 1.589 1.00 0.00 C ATOM 783 CG TYR A 55 2.126 -8.387 0.537 1.00 0.00 C ATOM 784 CD1 TYR A 55 3.148 -9.082 -0.099 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.816 -8.677 0.177 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.874 -10.034 -1.061 1.00 0.00 C ATOM 787 CE2 TYR A 55 0.532 -9.628 -0.783 1.00 0.00 C ATOM 788 CZ TYR A 55 1.564 -10.304 -1.399 1.00 0.00 C ATOM 789 OH TYR A 55 1.286 -11.252 -2.357 1.00 0.00 O ATOM 0 H TYR A 55 2.363 -8.649 4.093 1.00 0.00 H new ATOM 0 HA TYR A 55 4.398 -8.096 2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.519 -7.118 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.744 -6.424 1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.175 -8.874 0.164 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.005 -8.149 0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.680 -10.564 -1.546 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.493 -9.841 -1.050 1.00 0.00 H new ATOM 0 HH TYR A 55 0.316 -11.322 -2.476 1.00 0.00 H new ATOM 799 N VAL A 56 4.612 -5.631 2.875 1.00 0.00 N ATOM 800 CA VAL A 56 5.049 -4.448 3.608 1.00 0.00 C ATOM 801 C VAL A 56 4.879 -3.187 2.767 1.00 0.00 C ATOM 802 O VAL A 56 5.587 -2.987 1.779 1.00 0.00 O ATOM 803 CB VAL A 56 6.521 -4.568 4.042 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.959 -3.322 4.798 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.727 -5.815 4.889 1.00 0.00 C ATOM 0 H VAL A 56 4.891 -5.646 1.894 1.00 0.00 H new ATOM 0 HA VAL A 56 4.422 -4.376 4.496 1.00 0.00 H new ATOM 0 HB VAL A 56 7.138 -4.657 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.002 -3.425 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.851 -2.449 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.338 -3.198 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.773 -5.884 5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.099 -5.758 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.456 -6.697 4.309 1.00 0.00 H new ATOM 815 N LEU A 57 3.937 -2.339 3.165 1.00 0.00 N ATOM 816 CA LEU A 57 3.675 -1.096 2.448 1.00 0.00 C ATOM 817 C LEU A 57 4.641 0.000 2.886 1.00 0.00 C ATOM 818 O LEU A 57 4.544 0.519 3.998 1.00 0.00 O ATOM 819 CB LEU A 57 2.232 -0.644 2.683 1.00 0.00 C ATOM 820 CG LEU A 57 1.760 0.551 1.854 1.00 0.00 C ATOM 821 CD1 LEU A 57 0.258 0.742 2.001 1.00 0.00 C ATOM 822 CD2 LEU A 57 2.503 1.813 2.267 1.00 0.00 C ATOM 0 H LEU A 57 3.342 -2.489 3.980 1.00 0.00 H new ATOM 0 HA LEU A 57 3.823 -1.281 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.571 -1.486 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.117 -0.397 3.738 1.00 0.00 H new ATOM 0 HG LEU A 57 1.979 0.351 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.060 1.597 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.258 -0.154 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.015 0.920 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.154 2.653 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.315 2.017 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.573 1.674 2.110 1.00 0.00 H new ATOM 834 N SER A 58 5.572 0.348 2.003 1.00 0.00 N ATOM 835 CA SER A 58 6.557 1.382 2.300 1.00 0.00 C ATOM 836 C SER A 58 6.012 2.765 1.958 1.00 0.00 C ATOM 837 O SER A 58 5.695 3.053 0.803 1.00 0.00 O ATOM 838 CB SER A 58 7.848 1.123 1.521 1.00 0.00 C ATOM 839 OG SER A 58 8.303 -0.205 1.715 1.00 0.00 O ATOM 0 H SER A 58 5.665 -0.070 1.077 1.00 0.00 H new ATOM 0 HA SER A 58 6.772 1.350 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.678 1.301 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.617 1.825 1.842 1.00 0.00 H new ATOM 0 HG SER A 58 8.694 -0.290 2.610 1.00 0.00 H new ATOM 845 N VAL A 59 5.907 3.620 2.971 1.00 0.00 N ATOM 846 CA VAL A 59 5.402 4.974 2.779 1.00 0.00 C ATOM 847 C VAL A 59 6.418 6.010 3.246 1.00 0.00 C ATOM 848 O VAL A 59 7.143 5.791 4.216 1.00 0.00 O ATOM 849 CB VAL A 59 4.078 5.191 3.536 1.00 0.00 C ATOM 850 CG1 VAL A 59 4.030 6.587 4.138 1.00 0.00 C ATOM 851 CG2 VAL A 59 2.892 4.960 2.611 1.00 0.00 C ATOM 0 H VAL A 59 6.165 3.399 3.933 1.00 0.00 H new ATOM 0 HA VAL A 59 5.226 5.098 1.711 1.00 0.00 H new ATOM 0 HB VAL A 59 4.022 4.468 4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.088 6.722 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.860 6.712 4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.108 7.329 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.965 5.117 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.941 5.658 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.920 3.938 2.232 1.00 0.00 H new ATOM 861 N SER A 60 6.464 7.141 2.549 1.00 0.00 N ATOM 862 CA SER A 60 7.394 8.212 2.891 1.00 0.00 C ATOM 863 C SER A 60 6.743 9.215 3.837 1.00 0.00 C ATOM 864 O SER A 60 5.865 9.980 3.440 1.00 0.00 O ATOM 865 CB SER A 60 7.871 8.924 1.624 1.00 0.00 C ATOM 866 OG SER A 60 9.132 9.537 1.828 1.00 0.00 O ATOM 0 H SER A 60 5.869 7.340 1.745 1.00 0.00 H new ATOM 0 HA SER A 60 8.252 7.768 3.395 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.939 8.208 0.805 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.140 9.677 1.329 1.00 0.00 H new ATOM 0 HG SER A 60 9.835 8.979 1.434 1.00 0.00 H new ATOM 872 N GLU A 61 7.181 9.205 5.093 1.00 0.00 N ATOM 873 CA GLU A 61 6.640 10.114 6.097 1.00 0.00 C ATOM 874 C GLU A 61 7.666 10.385 7.194 1.00 0.00 C ATOM 875 O GLU A 61 8.513 9.542 7.488 1.00 0.00 O ATOM 876 CB GLU A 61 5.365 9.532 6.710 1.00 0.00 C ATOM 877 CG GLU A 61 4.584 10.527 7.551 1.00 0.00 C ATOM 878 CD GLU A 61 3.591 9.855 8.479 1.00 0.00 C ATOM 879 OE1 GLU A 61 2.616 9.260 7.975 1.00 0.00 O ATOM 880 OE2 GLU A 61 3.789 9.925 9.710 1.00 0.00 O ATOM 0 H GLU A 61 7.908 8.578 5.439 1.00 0.00 H new ATOM 0 HA GLU A 61 6.401 11.057 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.723 9.163 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.628 8.674 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.280 11.124 8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.053 11.215 6.893 1.00 0.00 H new ATOM 887 N ASN A 62 7.583 11.568 7.793 1.00 0.00 N ATOM 888 CA ASN A 62 8.505 11.952 8.857 1.00 0.00 C ATOM 889 C ASN A 62 9.948 11.917 8.365 1.00 0.00 C ATOM 890 O ASN A 62 10.828 11.367 9.028 1.00 0.00 O ATOM 891 CB ASN A 62 8.342 11.023 10.061 1.00 0.00 C ATOM 892 CG ASN A 62 7.249 11.486 11.005 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.473 12.343 11.860 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.058 10.919 10.854 1.00 0.00 N ATOM 0 H ASN A 62 6.888 12.277 7.561 1.00 0.00 H new ATOM 0 HA ASN A 62 8.268 12.972 9.159 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.114 10.016 9.711 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.286 10.966 10.603 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.284 11.190 11.460 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.917 10.213 10.132 1.00 0.00 H new ATOM 901 N SER A 63 10.185 12.507 7.198 1.00 0.00 N ATOM 902 CA SER A 63 11.521 12.541 6.614 1.00 0.00 C ATOM 903 C SER A 63 12.182 11.168 6.692 1.00 0.00 C ATOM 904 O SER A 63 13.387 11.060 6.919 1.00 0.00 O ATOM 905 CB SER A 63 12.387 13.578 7.331 1.00 0.00 C ATOM 906 OG SER A 63 11.878 14.887 7.140 1.00 0.00 O ATOM 0 H SER A 63 9.469 12.969 6.638 1.00 0.00 H new ATOM 0 HA SER A 63 11.426 12.821 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.425 13.351 8.396 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.409 13.524 6.957 1.00 0.00 H new ATOM 0 HG SER A 63 12.448 15.531 7.609 1.00 0.00 H new ATOM 912 N ARG A 64 11.384 10.122 6.503 1.00 0.00 N ATOM 913 CA ARG A 64 11.891 8.756 6.553 1.00 0.00 C ATOM 914 C ARG A 64 11.006 7.818 5.736 1.00 0.00 C ATOM 915 O ARG A 64 9.981 8.231 5.194 1.00 0.00 O ATOM 916 CB ARG A 64 11.966 8.270 8.001 1.00 0.00 C ATOM 917 CG ARG A 64 10.618 7.879 8.584 1.00 0.00 C ATOM 918 CD ARG A 64 10.749 6.729 9.570 1.00 0.00 C ATOM 919 NE ARG A 64 10.848 7.200 10.949 1.00 0.00 N ATOM 920 CZ ARG A 64 11.986 7.588 11.514 1.00 0.00 C ATOM 921 NH1 ARG A 64 13.116 7.562 10.821 1.00 0.00 N ATOM 922 NH2 ARG A 64 11.994 8.004 12.774 1.00 0.00 N ATOM 0 H ARG A 64 10.384 10.194 6.314 1.00 0.00 H new ATOM 0 HA ARG A 64 12.892 8.751 6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.637 7.413 8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.404 9.056 8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.173 8.739 9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.941 7.594 7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.887 6.069 9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.632 6.139 9.324 1.00 0.00 H new ATOM 0 HE ARG A 64 9.996 7.233 11.509 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.113 7.244 9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.989 7.860 11.257 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.126 8.026 13.309 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.868 8.302 13.207 1.00 0.00 H new ATOM 936 N VAL A 65 11.411 6.555 5.652 1.00 0.00 N ATOM 937 CA VAL A 65 10.656 5.559 4.902 1.00 0.00 C ATOM 938 C VAL A 65 9.900 4.623 5.838 1.00 0.00 C ATOM 939 O VAL A 65 10.461 3.655 6.352 1.00 0.00 O ATOM 940 CB VAL A 65 11.577 4.723 3.993 1.00 0.00 C ATOM 941 CG1 VAL A 65 10.759 3.780 3.125 1.00 0.00 C ATOM 942 CG2 VAL A 65 12.446 5.632 3.137 1.00 0.00 C ATOM 0 H VAL A 65 12.258 6.197 6.094 1.00 0.00 H new ATOM 0 HA VAL A 65 9.943 6.103 4.283 1.00 0.00 H new ATOM 0 HB VAL A 65 12.231 4.120 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.427 3.198 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.185 3.106 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.078 4.359 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.091 5.026 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.811 6.262 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.060 6.261 3.782 1.00 0.00 H new ATOM 952 N SER A 66 8.622 4.918 6.056 1.00 0.00 N ATOM 953 CA SER A 66 7.788 4.105 6.934 1.00 0.00 C ATOM 954 C SER A 66 7.505 2.743 6.306 1.00 0.00 C ATOM 955 O SER A 66 7.424 2.615 5.084 1.00 0.00 O ATOM 956 CB SER A 66 6.472 4.825 7.233 1.00 0.00 C ATOM 957 OG SER A 66 6.664 5.867 8.173 1.00 0.00 O ATOM 0 H SER A 66 8.142 5.714 5.637 1.00 0.00 H new ATOM 0 HA SER A 66 8.329 3.950 7.868 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.060 5.234 6.311 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.743 4.112 7.619 1.00 0.00 H new ATOM 0 HG SER A 66 5.809 6.313 8.346 1.00 0.00 H new ATOM 963 N HIS A 67 7.356 1.728 7.151 1.00 0.00 N ATOM 964 CA HIS A 67 7.081 0.376 6.680 1.00 0.00 C ATOM 965 C HIS A 67 5.811 -0.175 7.321 1.00 0.00 C ATOM 966 O HIS A 67 5.854 -0.768 8.399 1.00 0.00 O ATOM 967 CB HIS A 67 8.262 -0.545 6.990 1.00 0.00 C ATOM 968 CG HIS A 67 9.489 -0.234 6.189 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.637 -0.598 4.867 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.629 0.412 6.530 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.816 -0.191 4.430 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.437 0.425 5.420 1.00 0.00 N ATOM 0 H HIS A 67 7.421 1.816 8.165 1.00 0.00 H new ATOM 0 HA HIS A 67 6.935 0.417 5.601 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.502 -0.471 8.051 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.967 -1.577 6.802 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.860 0.838 7.495 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.205 -0.337 3.433 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.366 0.843 5.368 1.00 0.00 H new ATOM 981 N TYR A 68 4.681 0.026 6.652 1.00 0.00 N ATOM 982 CA TYR A 68 3.398 -0.447 7.157 1.00 0.00 C ATOM 983 C TYR A 68 3.157 -1.899 6.756 1.00 0.00 C ATOM 984 O TYR A 68 2.749 -2.184 5.630 1.00 0.00 O ATOM 985 CB TYR A 68 2.263 0.434 6.633 1.00 0.00 C ATOM 986 CG TYR A 68 2.402 1.891 7.014 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.508 2.274 8.345 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.428 2.883 6.042 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.634 3.604 8.697 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.556 4.216 6.385 1.00 0.00 C ATOM 991 CZ TYR A 68 2.658 4.571 7.714 1.00 0.00 C ATOM 992 OH TYR A 68 2.785 5.896 8.061 1.00 0.00 O ATOM 0 H TYR A 68 4.628 0.514 5.758 1.00 0.00 H new ATOM 0 HA TYR A 68 3.421 -0.388 8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.224 0.353 5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.315 0.056 7.015 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.492 1.520 9.118 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.347 2.608 5.001 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.713 3.885 9.737 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.576 4.975 5.617 1.00 0.00 H new ATOM 0 HH TYR A 68 2.591 6.004 9.016 1.00 0.00 H new ATOM 1002 N ILE A 69 3.411 -2.813 7.686 1.00 0.00 N ATOM 1003 CA ILE A 69 3.220 -4.236 7.432 1.00 0.00 C ATOM 1004 C ILE A 69 1.742 -4.569 7.258 1.00 0.00 C ATOM 1005 O ILE A 69 0.884 -4.002 7.934 1.00 0.00 O ATOM 1006 CB ILE A 69 3.798 -5.094 8.572 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.321 -4.959 8.620 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.395 -6.551 8.395 1.00 0.00 C ATOM 1009 CD1 ILE A 69 5.946 -5.598 9.840 1.00 0.00 C ATOM 0 H ILE A 69 3.750 -2.594 8.623 1.00 0.00 H new ATOM 0 HA ILE A 69 3.753 -4.467 6.510 1.00 0.00 H new ATOM 0 HB ILE A 69 3.391 -4.737 9.518 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.746 -5.412 7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.585 -3.902 8.598 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.811 -7.145 9.209 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.308 -6.632 8.406 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.777 -6.921 7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.027 -5.464 9.808 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.549 -5.129 10.740 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.713 -6.663 9.853 1.00 0.00 H new ATOM 1021 N ILE A 70 1.453 -5.494 6.348 1.00 0.00 N ATOM 1022 CA ILE A 70 0.079 -5.905 6.088 1.00 0.00 C ATOM 1023 C ILE A 70 -0.118 -7.387 6.392 1.00 0.00 C ATOM 1024 O ILE A 70 0.368 -8.250 5.663 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.322 -5.635 4.626 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.425 -4.130 4.372 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.639 -6.324 4.302 1.00 0.00 C ATOM 1028 CD1 ILE A 70 0.875 -3.502 3.921 1.00 0.00 C ATOM 0 H ILE A 70 2.152 -5.972 5.779 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.558 -5.313 6.746 1.00 0.00 H new ATOM 0 HB ILE A 70 0.449 -6.043 3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.188 -3.949 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.759 -3.638 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.909 -6.124 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.533 -7.399 4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.420 -5.944 4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.727 -2.434 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.636 -3.651 4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.200 -3.967 2.991 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.836 -7.673 7.473 1.00 0.00 N ATOM 1041 CA ASN A 71 -1.099 -9.050 7.873 1.00 0.00 C ATOM 1042 C ASN A 71 -1.999 -9.749 6.858 1.00 0.00 C ATOM 1043 O ASN A 71 -2.899 -9.136 6.285 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.750 -9.086 9.257 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.882 -8.443 10.321 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -1.362 -7.660 11.141 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.405 -8.771 10.312 1.00 0.00 N ATOM 0 H ASN A 71 -1.246 -6.970 8.087 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.146 -9.578 7.913 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.711 -8.573 9.217 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.952 -10.121 9.534 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.038 -8.370 11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.760 -9.424 9.614 1.00 0.00 H new ATOM 1054 N SER A 72 -1.748 -11.037 6.642 1.00 0.00 N ATOM 1055 CA SER A 72 -2.533 -11.819 5.694 1.00 0.00 C ATOM 1056 C SER A 72 -3.535 -12.710 6.422 1.00 0.00 C ATOM 1057 O SER A 72 -3.165 -13.725 7.013 1.00 0.00 O ATOM 1058 CB SER A 72 -1.612 -12.675 4.821 1.00 0.00 C ATOM 1059 OG SER A 72 -2.361 -13.540 3.986 1.00 0.00 O ATOM 0 H SER A 72 -1.008 -11.560 7.110 1.00 0.00 H new ATOM 0 HA SER A 72 -3.085 -11.126 5.058 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.982 -12.029 4.209 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.947 -13.262 5.455 1.00 0.00 H new ATOM 0 HG SER A 72 -1.750 -14.075 3.437 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.804 -12.322 6.375 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.862 -13.084 7.030 1.00 0.00 C ATOM 1067 C LEU A 73 -6.268 -14.288 6.186 1.00 0.00 C ATOM 1068 O LEU A 73 -6.314 -14.229 4.957 1.00 0.00 O ATOM 1069 CB LEU A 73 -7.078 -12.192 7.285 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.789 -10.825 7.907 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -8.038 -9.958 7.893 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.265 -10.986 9.327 1.00 0.00 C ATOM 0 H LEU A 73 -5.126 -11.484 5.890 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.478 -13.445 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.594 -12.036 6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.766 -12.728 7.939 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.022 -10.330 7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.813 -8.989 8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.370 -9.815 6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.827 -10.447 8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.065 -10.004 9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.010 -11.501 9.934 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.344 -11.569 9.311 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.572 -15.408 6.860 1.00 0.00 N ATOM 1085 CA PRO A 74 -6.983 -16.646 6.192 1.00 0.00 C ATOM 1086 C PRO A 74 -8.366 -16.533 5.561 1.00 0.00 C ATOM 1087 O PRO A 74 -8.849 -17.472 4.929 1.00 0.00 O ATOM 1088 CB PRO A 74 -6.995 -17.674 7.327 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.217 -16.871 8.562 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.539 -15.550 8.325 1.00 0.00 C ATOM 0 HA PRO A 74 -6.316 -16.906 5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.786 -18.410 7.186 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.054 -18.222 7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.282 -16.735 8.753 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.799 -17.373 9.434 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.065 -14.734 8.820 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.518 -15.548 8.706 1.00 0.00 H new ATOM 1098 N ASN A 75 -8.999 -15.378 5.736 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.328 -15.143 5.183 1.00 0.00 C ATOM 1100 C ASN A 75 -10.246 -14.315 3.904 1.00 0.00 C ATOM 1101 O ASN A 75 -10.992 -13.351 3.727 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.211 -14.430 6.209 1.00 0.00 C ATOM 1103 CG ASN A 75 -12.622 -14.205 5.700 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -13.098 -14.922 4.819 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -13.299 -13.206 6.254 1.00 0.00 N ATOM 0 H ASN A 75 -8.613 -14.590 6.256 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.770 -16.110 4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.248 -15.020 7.125 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.763 -13.470 6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.253 -13.007 5.952 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.865 -12.637 6.981 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.335 -14.698 3.015 1.00 0.00 N ATOM 1113 CA ARG A 76 -9.155 -13.991 1.752 1.00 0.00 C ATOM 1114 C ARG A 76 -9.213 -12.481 1.962 1.00 0.00 C ATOM 1115 O ARG A 76 -9.844 -11.760 1.188 1.00 0.00 O ATOM 1116 CB ARG A 76 -10.226 -14.418 0.747 1.00 0.00 C ATOM 1117 CG ARG A 76 -10.280 -15.920 0.516 1.00 0.00 C ATOM 1118 CD ARG A 76 -11.203 -16.604 1.512 1.00 0.00 C ATOM 1119 NE ARG A 76 -12.604 -16.261 1.286 1.00 0.00 N ATOM 1120 CZ ARG A 76 -13.357 -16.823 0.347 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -12.845 -17.752 -0.449 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -14.624 -16.457 0.203 1.00 0.00 N ATOM 0 H ARG A 76 -8.710 -15.494 3.146 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.172 -14.249 1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.200 -14.078 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.039 -13.919 -0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.625 -16.121 -0.498 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.277 -16.339 0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.078 -17.684 1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.919 -16.318 2.525 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.028 -15.550 1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.871 -18.036 -0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.425 -18.182 -1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.021 -15.743 0.814 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.201 -16.889 -0.518 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.551 -12.009 3.013 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.528 -10.585 3.325 1.00 0.00 C ATOM 1138 C ARG A 77 -7.205 -10.192 3.977 1.00 0.00 C ATOM 1139 O ARG A 77 -6.482 -11.041 4.498 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.691 -10.226 4.251 1.00 0.00 C ATOM 1141 CG ARG A 77 -11.025 -10.100 3.533 1.00 0.00 C ATOM 1142 CD ARG A 77 -12.180 -9.992 4.517 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.470 -9.903 3.839 1.00 0.00 N ATOM 1144 CZ ARG A 77 -14.581 -9.473 4.427 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -14.559 -9.094 5.698 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.717 -9.420 3.744 1.00 0.00 N ATOM 0 H ARG A 77 -8.023 -12.592 3.663 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.631 -10.032 2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.776 -10.988 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.468 -9.284 4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.011 -9.221 2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.175 -10.966 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.176 -10.860 5.177 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.040 -9.113 5.146 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.521 -10.186 2.860 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.687 -9.132 6.227 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.414 -8.764 6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.738 -9.710 2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.569 -9.090 4.197 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.895 -8.901 3.943 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.659 -8.395 4.529 1.00 0.00 C ATOM 1162 C PHE A 78 -5.952 -7.502 5.731 1.00 0.00 C ATOM 1163 O PHE A 78 -7.046 -6.952 5.858 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.856 -7.617 3.484 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.526 -8.422 2.260 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -5.513 -8.751 1.345 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -3.229 -8.849 2.024 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -5.213 -9.492 0.217 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -2.923 -9.589 0.898 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.916 -9.912 -0.007 1.00 0.00 C ATOM 0 H PHE A 78 -7.483 -8.185 3.516 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.071 -9.248 4.868 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.421 -6.734 3.187 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.930 -7.265 3.938 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.528 -8.425 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.449 -8.601 2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.992 -9.742 -0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.908 -9.915 0.725 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.679 -10.491 -0.887 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.967 -7.364 6.611 1.00 0.00 N ATOM 1181 CA LYS A 79 -5.116 -6.538 7.803 1.00 0.00 C ATOM 1182 C LYS A 79 -3.854 -5.719 8.059 1.00 0.00 C ATOM 1183 O LYS A 79 -2.839 -6.251 8.511 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.424 -7.413 9.020 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.403 -6.655 10.336 1.00 0.00 C ATOM 1186 CD LYS A 79 -5.132 -7.582 11.509 1.00 0.00 C ATOM 1187 CE LYS A 79 -5.488 -6.923 12.833 1.00 0.00 C ATOM 1188 NZ LYS A 79 -5.806 -7.929 13.885 1.00 0.00 N ATOM 0 H LYS A 79 -4.056 -7.814 6.521 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.946 -5.852 7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.405 -7.870 8.889 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.698 -8.225 9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.637 -5.880 10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.359 -6.151 10.482 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.709 -8.499 11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.080 -7.866 11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.656 -6.301 13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.343 -6.262 12.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.043 -7.441 14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.616 -8.506 13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.981 -8.544 14.038 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.926 -4.424 7.770 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.791 -3.533 7.972 1.00 0.00 C ATOM 1204 C ILE A 80 -2.794 -2.949 9.380 1.00 0.00 C ATOM 1205 O ILE A 80 -3.534 -2.011 9.674 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.791 -2.380 6.950 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.797 -1.296 7.371 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -4.190 -1.798 6.810 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.244 -0.500 6.210 1.00 0.00 C ATOM 0 H ILE A 80 -4.758 -3.969 7.395 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.891 -4.132 7.832 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.482 -2.772 5.981 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.287 -0.615 8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.971 -1.761 7.909 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.175 -0.984 6.085 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.875 -2.575 6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.524 -1.417 7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.546 0.250 6.583 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.725 -1.170 5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.062 -0.006 5.685 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.958 -3.510 10.249 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.879 -3.031 11.617 1.00 0.00 C ATOM 1223 C GLY A 81 -3.051 -3.489 12.461 1.00 0.00 C ATOM 1224 O GLY A 81 -3.110 -4.646 12.878 1.00 0.00 O ATOM 0 H GLY A 81 -1.335 -4.287 10.030 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.951 -3.382 12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.840 -1.942 11.615 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.986 -2.581 12.715 1.00 0.00 N ATOM 1229 CA ASP A 82 -5.163 -2.898 13.516 1.00 0.00 C ATOM 1230 C ASP A 82 -6.441 -2.694 12.708 1.00 0.00 C ATOM 1231 O ASP A 82 -7.530 -2.583 13.270 1.00 0.00 O ATOM 1232 CB ASP A 82 -5.198 -2.031 14.775 1.00 0.00 C ATOM 1233 CG ASP A 82 -4.444 -2.659 15.931 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -4.474 -3.901 16.053 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -3.824 -1.908 16.713 1.00 0.00 O ATOM 0 H ASP A 82 -3.952 -1.619 12.378 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.102 -3.946 13.808 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.768 -1.054 14.552 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.234 -1.864 15.069 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.299 -2.645 11.387 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.442 -2.453 10.503 1.00 0.00 C ATOM 1242 C GLN A 83 -7.515 -3.562 9.458 1.00 0.00 C ATOM 1243 O GLN A 83 -6.509 -4.197 9.143 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.356 -1.091 9.812 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.471 0.085 10.769 1.00 0.00 C ATOM 1246 CD GLN A 83 -8.819 0.146 11.459 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -8.963 -0.284 12.604 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -9.816 0.682 10.765 1.00 0.00 N ATOM 0 H GLN A 83 -5.404 -2.736 10.906 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.347 -2.489 11.109 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.408 -1.023 9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.148 -1.021 9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.685 0.015 11.521 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.306 1.012 10.221 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.652 1.026 9.819 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.746 0.750 11.178 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.712 -3.790 8.926 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.915 -4.824 7.918 1.00 0.00 C ATOM 1259 C GLU A 84 -9.617 -4.254 6.689 1.00 0.00 C ATOM 1260 O GLU A 84 -10.378 -3.291 6.785 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.733 -5.979 8.498 1.00 0.00 C ATOM 1262 CG GLU A 84 -9.101 -6.618 9.723 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.984 -7.682 10.346 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.472 -8.558 9.601 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -10.185 -7.640 11.578 1.00 0.00 O ATOM 0 H GLU A 84 -9.555 -3.273 9.176 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.937 -5.198 7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.726 -5.614 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.866 -6.740 7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.145 -7.062 9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.891 -5.846 10.463 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.356 -4.857 5.533 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.961 -4.410 4.284 1.00 0.00 C ATOM 1274 C PHE A 85 -10.331 -5.599 3.403 1.00 0.00 C ATOM 1275 O PHE A 85 -9.909 -6.728 3.656 1.00 0.00 O ATOM 1276 CB PHE A 85 -9.005 -3.482 3.533 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.723 -2.197 4.258 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.599 -1.127 4.167 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.582 -2.060 5.033 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.341 0.056 4.833 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.319 -0.879 5.702 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.200 0.180 5.602 1.00 0.00 C ATOM 0 H PHE A 85 -8.730 -5.656 5.436 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.872 -3.863 4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.065 -4.006 3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.428 -3.253 2.555 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.493 -1.219 3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.890 -2.885 5.115 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.031 0.883 4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.426 -0.785 6.302 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.997 1.103 6.124 1.00 0.00 H new ATOM 1292 N ASP A 86 -11.121 -5.338 2.368 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.548 -6.386 1.448 1.00 0.00 C ATOM 1294 C ASP A 86 -10.354 -6.974 0.702 1.00 0.00 C ATOM 1295 O ASP A 86 -10.342 -8.157 0.362 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.567 -5.834 0.450 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.564 -4.895 1.100 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -13.936 -5.139 2.267 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -13.973 -3.916 0.442 1.00 0.00 O ATOM 0 H ASP A 86 -11.479 -4.409 2.145 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.015 -7.179 2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.042 -5.307 -0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.102 -6.662 -0.014 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.351 -6.138 0.449 1.00 0.00 N ATOM 1305 CA HIS A 87 -8.152 -6.575 -0.257 1.00 0.00 C ATOM 1306 C HIS A 87 -7.123 -5.451 -0.327 1.00 0.00 C ATOM 1307 O HIS A 87 -7.316 -4.381 0.252 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.508 -7.044 -1.668 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.622 -6.264 -2.296 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.461 -4.987 -2.790 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.919 -6.588 -2.510 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.611 -4.558 -3.279 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.512 -5.511 -3.122 1.00 0.00 N ATOM 0 H HIS A 87 -9.345 -5.155 0.722 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.718 -7.408 0.296 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.623 -6.971 -2.300 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.788 -8.097 -1.632 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.398 -7.520 -2.248 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.785 -3.592 -3.730 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.489 -5.456 -3.409 1.00 0.00 H new ATOM 1322 N LEU A 88 -6.029 -5.700 -1.038 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.968 -4.709 -1.183 1.00 0.00 C ATOM 1324 C LEU A 88 -5.514 -3.408 -1.763 1.00 0.00 C ATOM 1325 O LEU A 88 -5.437 -2.345 -1.148 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.855 -5.253 -2.080 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.676 -5.912 -1.362 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.759 -6.600 -2.361 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.905 -4.882 -0.548 1.00 0.00 C ATOM 0 H LEU A 88 -5.853 -6.580 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.560 -4.501 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.291 -5.981 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.472 -4.433 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.067 -6.667 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.926 -7.063 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.317 -7.366 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.375 -5.865 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.070 -5.368 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.526 -4.104 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.567 -4.435 0.194 1.00 0.00 H new ATOM 1341 N PRO A 89 -6.081 -3.493 -2.976 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.654 -2.332 -3.664 1.00 0.00 C ATOM 1343 C PRO A 89 -7.929 -1.832 -2.995 1.00 0.00 C ATOM 1344 O PRO A 89 -8.636 -0.985 -3.540 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.960 -2.867 -5.066 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.139 -4.334 -4.881 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.208 -4.728 -3.768 1.00 0.00 C ATOM 0 HA PRO A 89 -5.976 -1.478 -3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.859 -2.407 -5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.146 -2.652 -5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.172 -4.572 -4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.902 -4.875 -5.797 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.615 -5.546 -3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.243 -5.061 -4.150 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.216 -2.360 -1.809 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.405 -1.965 -1.064 1.00 0.00 C ATOM 1357 C ALA A 90 -9.033 -1.156 0.174 1.00 0.00 C ATOM 1358 O ALA A 90 -9.854 -0.411 0.711 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.214 -3.192 -0.672 1.00 0.00 C ATOM 0 H ALA A 90 -7.641 -3.062 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.015 -1.333 -1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.099 -2.882 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.519 -3.729 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.604 -3.846 -0.048 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.792 -1.307 0.623 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.311 -0.590 1.799 1.00 0.00 C ATOM 1367 C LEU A 91 -6.711 0.757 1.408 1.00 0.00 C ATOM 1368 O LEU A 91 -6.923 1.763 2.086 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.270 -1.429 2.541 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.895 -1.530 1.881 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.999 -0.389 2.336 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.250 -2.873 2.193 1.00 0.00 C ATOM 0 H LEU A 91 -7.100 -1.919 0.191 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.161 -0.411 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.142 -1.012 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.666 -2.437 2.665 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.026 -1.454 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.025 -0.478 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.454 0.563 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.875 -0.433 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.272 -2.927 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.133 -2.979 3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.883 -3.677 1.816 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.963 0.769 0.310 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.334 1.993 -0.173 1.00 0.00 C ATOM 1386 C LEU A 92 -6.382 3.050 -0.504 1.00 0.00 C ATOM 1387 O LEU A 92 -6.157 4.244 -0.308 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.482 1.698 -1.409 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.391 0.641 -1.235 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.952 0.100 -2.587 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.204 1.218 -0.479 1.00 0.00 C ATOM 0 H LEU A 92 -5.777 -0.055 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.693 2.380 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.144 1.379 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.012 2.627 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.801 -0.184 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.175 -0.651 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.805 -0.352 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.561 0.915 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.438 0.451 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.794 2.061 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.529 1.556 0.505 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.529 2.602 -1.005 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.613 3.511 -1.362 1.00 0.00 C ATOM 1405 C GLU A 93 -9.250 4.114 -0.114 1.00 0.00 C ATOM 1406 O GLU A 93 -9.840 5.194 -0.165 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.673 2.777 -2.186 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.256 1.562 -1.483 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.605 1.156 -2.043 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -11.684 0.874 -3.257 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -12.583 1.120 -1.267 1.00 0.00 O ATOM 0 H GLU A 93 -7.732 1.617 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.193 4.319 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.480 3.470 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.232 2.462 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.562 0.726 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.358 1.777 -0.419 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.128 3.409 1.005 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.693 3.873 2.267 1.00 0.00 C ATOM 1420 C PHE A 94 -8.724 4.807 2.986 1.00 0.00 C ATOM 1421 O PHE A 94 -9.129 5.619 3.818 1.00 0.00 O ATOM 1422 CB PHE A 94 -10.034 2.683 3.166 1.00 0.00 C ATOM 1423 CG PHE A 94 -11.015 3.015 4.254 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.353 3.221 3.958 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.600 3.120 5.571 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.258 3.528 4.957 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.501 3.426 6.574 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.832 3.629 6.267 1.00 0.00 C ATOM 0 H PHE A 94 -8.643 2.514 1.064 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.606 4.426 2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.442 1.880 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.117 2.305 3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.692 3.141 2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.561 2.961 5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.298 3.689 4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.164 3.506 7.597 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.538 3.866 7.049 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.442 4.685 2.660 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.414 5.515 3.276 1.00 0.00 C ATOM 1440 C TYR A 95 -6.297 6.858 2.560 1.00 0.00 C ATOM 1441 O TYR A 95 -5.805 7.835 3.124 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.066 4.794 3.254 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.838 3.900 4.452 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -4.898 4.407 5.744 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.562 2.547 4.291 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -4.690 3.594 6.841 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.354 1.727 5.383 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.419 2.255 6.656 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.211 1.440 7.745 1.00 0.00 O ATOM 0 H TYR A 95 -7.090 4.019 1.972 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.703 5.699 4.311 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.999 4.195 2.346 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.268 5.535 3.207 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.111 5.455 5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.509 2.130 3.296 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.739 4.005 7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.142 0.678 5.241 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.880 0.724 7.751 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.754 6.898 1.313 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.703 8.119 0.518 1.00 0.00 C ATOM 1461 C LYS A 96 -7.368 9.277 1.256 1.00 0.00 C ATOM 1462 O LYS A 96 -7.113 10.444 0.957 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.389 7.901 -0.833 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.586 7.038 -1.790 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.470 6.424 -2.863 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.566 7.321 -4.087 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.822 7.084 -4.851 1.00 0.00 N ATOM 0 H LYS A 96 -7.164 6.098 0.831 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.656 8.371 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.361 7.437 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.574 8.869 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.808 7.640 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.084 6.246 -1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.070 5.452 -3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.467 6.250 -2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.521 8.365 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.708 7.144 -4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.850 7.714 -5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.853 6.094 -5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.641 7.277 -4.240 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.219 8.946 2.222 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.917 9.959 3.004 1.00 0.00 C ATOM 1483 C ILE A 97 -8.422 9.977 4.446 1.00 0.00 C ATOM 1484 O ILE A 97 -8.363 11.030 5.081 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.439 9.724 2.998 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.778 8.415 3.713 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.966 9.707 1.571 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.260 8.221 3.946 1.00 0.00 C ATOM 0 H ILE A 97 -8.441 7.985 2.481 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.704 10.921 2.537 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.921 10.543 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.398 7.580 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.261 8.390 4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.043 9.540 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.752 10.663 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.481 8.906 1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.427 7.273 4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.642 9.036 4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.781 8.214 2.989 1.00 0.00 H new ATOM 1500 N HIS A 98 -8.067 8.803 4.959 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.574 8.684 6.327 1.00 0.00 C ATOM 1502 C HIS A 98 -6.057 8.834 6.373 1.00 0.00 C ATOM 1503 O HIS A 98 -5.340 8.249 5.561 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.983 7.336 6.923 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.428 7.266 7.309 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -10.050 6.095 7.689 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.375 8.231 7.376 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.317 6.343 7.970 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.539 7.632 7.788 1.00 0.00 N ATOM 0 H HIS A 98 -8.111 7.921 4.448 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.019 9.485 6.918 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.770 6.549 6.200 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.370 7.136 7.802 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.240 9.278 7.148 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.047 5.615 8.293 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.431 8.106 7.931 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.574 9.623 7.327 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.143 9.853 7.477 1.00 0.00 C ATOM 1520 C TYR A 99 -3.505 8.771 8.344 1.00 0.00 C ATOM 1521 O TYR A 99 -3.797 8.661 9.535 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.888 11.230 8.092 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.492 12.368 7.299 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.862 12.599 7.313 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.693 13.211 6.537 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.419 13.636 6.590 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.241 14.252 5.812 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.605 14.460 5.842 1.00 0.00 C ATOM 1529 OH TYR A 99 -6.155 15.495 5.121 1.00 0.00 O ATOM 0 H TYR A 99 -6.154 10.114 8.008 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.689 9.815 6.487 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.293 11.248 9.104 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.813 11.388 8.177 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.503 11.957 7.899 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.625 13.050 6.511 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.486 13.800 6.611 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.606 14.899 5.225 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.445 15.979 4.650 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.632 7.975 7.737 1.00 0.00 N ATOM 1540 CA LEU A 100 -1.950 6.901 8.452 1.00 0.00 C ATOM 1541 C LEU A 100 -1.352 7.411 9.759 1.00 0.00 C ATOM 1542 O LEU A 100 -1.871 7.134 10.840 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.851 6.297 7.576 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.323 5.525 6.343 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.284 5.602 5.236 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.617 4.076 6.701 1.00 0.00 C ATOM 0 H LEU A 100 -2.379 8.053 6.752 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.684 6.130 8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.194 7.102 7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.251 5.627 8.192 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.244 5.983 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.637 5.047 4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.123 6.644 4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.653 5.170 5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.952 3.542 5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.713 3.606 7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.398 4.040 7.461 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.259 8.159 9.651 1.00 0.00 N ATOM 1559 CA ASP A 101 0.408 8.711 10.825 1.00 0.00 C ATOM 1560 C ASP A 101 0.327 10.235 10.830 1.00 0.00 C ATOM 1561 O ASP A 101 -0.269 10.833 11.726 1.00 0.00 O ATOM 1562 CB ASP A 101 1.870 8.266 10.863 1.00 0.00 C ATOM 1563 CG ASP A 101 2.051 6.931 11.559 1.00 0.00 C ATOM 1564 OD1 ASP A 101 2.017 6.903 12.807 1.00 0.00 O ATOM 1565 OD2 ASP A 101 2.225 5.914 10.856 1.00 0.00 O ATOM 0 H ASP A 101 0.184 8.397 8.763 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.102 8.335 11.712 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.252 8.196 9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.464 9.023 11.375 1.00 0.00 H new ATOM 1570 N THR A 102 0.931 10.857 9.822 1.00 0.00 N ATOM 1571 CA THR A 102 0.930 12.311 9.711 1.00 0.00 C ATOM 1572 C THR A 102 0.573 12.754 8.297 1.00 0.00 C ATOM 1573 O THR A 102 0.497 13.949 8.009 1.00 0.00 O ATOM 1574 CB THR A 102 2.299 12.905 10.093 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.150 14.279 10.465 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.279 12.791 8.935 1.00 0.00 C ATOM 0 H THR A 102 1.427 10.377 9.071 1.00 0.00 H new ATOM 0 HA THR A 102 0.176 12.680 10.406 1.00 0.00 H new ATOM 0 HB THR A 102 2.693 12.341 10.939 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.612 14.744 9.791 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.239 13.217 9.227 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.412 11.741 8.673 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.889 13.333 8.074 1.00 0.00 H new ATOM 1584 N THR A 103 0.353 11.783 7.415 1.00 0.00 N ATOM 1585 CA THR A 103 0.004 12.073 6.030 1.00 0.00 C ATOM 1586 C THR A 103 -0.867 10.970 5.440 1.00 0.00 C ATOM 1587 O THR A 103 -1.180 9.985 6.110 1.00 0.00 O ATOM 1588 CB THR A 103 1.262 12.241 5.157 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.949 13.005 3.988 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.822 10.887 4.749 1.00 0.00 C ATOM 0 H THR A 103 0.411 10.789 7.636 1.00 0.00 H new ATOM 0 HA THR A 103 -0.554 13.009 6.034 1.00 0.00 H new ATOM 0 HB THR A 103 2.016 12.767 5.743 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.755 13.109 3.440 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.710 11.031 4.133 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.087 10.319 5.641 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.071 10.339 4.180 1.00 0.00 H new ATOM 1598 N THR A 104 -1.255 11.139 4.180 1.00 0.00 N ATOM 1599 CA THR A 104 -2.091 10.158 3.499 1.00 0.00 C ATOM 1600 C THR A 104 -1.394 9.609 2.260 1.00 0.00 C ATOM 1601 O THR A 104 -0.287 10.027 1.920 1.00 0.00 O ATOM 1602 CB THR A 104 -3.446 10.763 3.087 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.237 11.961 2.330 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.295 11.072 4.310 1.00 0.00 C ATOM 0 H THR A 104 -1.003 11.947 3.610 1.00 0.00 H new ATOM 0 HA THR A 104 -2.265 9.346 4.205 1.00 0.00 H new ATOM 0 HB THR A 104 -3.974 10.033 2.473 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.103 12.339 2.070 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.247 11.498 3.994 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.476 10.154 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.771 11.786 4.946 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.049 8.669 1.586 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.492 8.062 0.382 1.00 0.00 C ATOM 1614 C LEU A 105 -1.823 8.897 -0.851 1.00 0.00 C ATOM 1615 O LEU A 105 -2.950 8.870 -1.347 1.00 0.00 O ATOM 1616 CB LEU A 105 -2.030 6.641 0.209 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.766 5.678 1.367 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.408 4.326 1.094 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.271 5.522 1.602 1.00 0.00 C ATOM 0 H LEU A 105 -2.966 8.311 1.853 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.408 8.023 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.107 6.699 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.595 6.217 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.214 6.095 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.210 3.654 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.484 4.451 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.991 3.903 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.103 4.833 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.200 5.129 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.163 6.492 1.844 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.833 9.635 -1.342 1.00 0.00 N ATOM 1632 CA ILE A 106 -1.019 10.475 -2.519 1.00 0.00 C ATOM 1633 C ILE A 106 -0.913 9.656 -3.801 1.00 0.00 C ATOM 1634 O ILE A 106 -1.913 9.409 -4.475 1.00 0.00 O ATOM 1635 CB ILE A 106 0.015 11.615 -2.565 1.00 0.00 C ATOM 1636 CG1 ILE A 106 0.034 12.371 -1.235 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.293 12.563 -3.715 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.065 13.403 -1.111 1.00 0.00 C ATOM 0 H ILE A 106 0.105 9.668 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.018 10.904 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 106 1.002 11.183 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.057 11.655 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.999 12.864 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.446 13.364 -3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.260 12.015 -4.657 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.287 12.990 -3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.990 13.900 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.963 14.141 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.035 12.913 -1.193 1.00 0.00 H new ATOM 1650 N GLU A 107 0.304 9.235 -4.129 1.00 0.00 N ATOM 1651 CA GLU A 107 0.539 8.442 -5.330 1.00 0.00 C ATOM 1652 C GLU A 107 1.657 7.428 -5.102 1.00 0.00 C ATOM 1653 O GLU A 107 2.616 7.678 -4.372 1.00 0.00 O ATOM 1654 CB GLU A 107 0.893 9.352 -6.508 1.00 0.00 C ATOM 1655 CG GLU A 107 2.223 10.068 -6.346 1.00 0.00 C ATOM 1656 CD GLU A 107 2.300 11.347 -7.157 1.00 0.00 C ATOM 1657 OE1 GLU A 107 1.298 12.092 -7.186 1.00 0.00 O ATOM 1658 OE2 GLU A 107 3.361 11.603 -7.763 1.00 0.00 O ATOM 0 H GLU A 107 1.142 9.429 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.378 7.900 -5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.919 8.757 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.104 10.093 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.380 10.300 -5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.030 9.401 -6.649 1.00 0.00 H new ATOM 1665 N PRO A 108 1.532 6.256 -5.742 1.00 0.00 N ATOM 1666 CA PRO A 108 2.521 5.181 -5.625 1.00 0.00 C ATOM 1667 C PRO A 108 3.837 5.527 -6.314 1.00 0.00 C ATOM 1668 O PRO A 108 3.848 6.006 -7.447 1.00 0.00 O ATOM 1669 CB PRO A 108 1.846 3.999 -6.326 1.00 0.00 C ATOM 1670 CG PRO A 108 0.890 4.623 -7.284 1.00 0.00 C ATOM 1671 CD PRO A 108 0.414 5.890 -6.628 1.00 0.00 C ATOM 0 HA PRO A 108 2.786 4.983 -4.586 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.576 3.376 -6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.329 3.358 -5.612 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.375 4.835 -8.237 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.055 3.954 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.210 6.670 -7.361 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.507 5.731 -6.068 1.00 0.00 H new ATOM 1679 N ALA A 109 4.944 5.281 -5.621 1.00 0.00 N ATOM 1680 CA ALA A 109 6.266 5.564 -6.167 1.00 0.00 C ATOM 1681 C ALA A 109 6.337 5.205 -7.648 1.00 0.00 C ATOM 1682 O ALA A 109 5.613 4.337 -8.136 1.00 0.00 O ATOM 1683 CB ALA A 109 7.332 4.809 -5.387 1.00 0.00 C ATOM 0 H ALA A 109 4.952 4.886 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 109 6.450 6.634 -6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.314 5.030 -5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.305 5.118 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.142 3.738 -5.454 1.00 0.00 H new ATOM 1689 N PRO A 110 7.229 5.887 -8.381 1.00 0.00 N ATOM 1690 CA PRO A 110 7.415 5.657 -9.816 1.00 0.00 C ATOM 1691 C PRO A 110 8.061 4.307 -10.108 1.00 0.00 C ATOM 1692 O PRO A 110 8.868 3.812 -9.321 1.00 0.00 O ATOM 1693 CB PRO A 110 8.344 6.798 -10.241 1.00 0.00 C ATOM 1694 CG PRO A 110 9.082 7.166 -9.001 1.00 0.00 C ATOM 1695 CD PRO A 110 8.125 6.936 -7.865 1.00 0.00 C ATOM 0 HA PRO A 110 6.466 5.640 -10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.027 6.480 -11.029 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.779 7.644 -10.631 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.978 6.557 -8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.406 8.206 -9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.643 6.613 -6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.577 7.843 -7.611 1.00 0.00 H new