USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 875 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 THR OG1 : rot -79:sc= 0.254 USER MOD Set 1.2: A 67 HIS : no HD1:sc= -2.63 X(o=-2.4,f=-2.4) USER MOD Set 2.1: A 23 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 34 MET CE :methyl -111:sc= -1.36 (180deg=-5.8!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -1.55 X(o=-1.5,f=-1.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc=0.000812 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 64:sc= 0.372 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= -0.176 (180deg=-0.409) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 102:sc= 0.375 USER MOD Single : A 71 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 76 HIS :FLIP no HE2:sc= -2.41! F(o=-3.1,f=-2.4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -56:sc= 0.00936 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 77:sc= 0.49 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HE2:sc= 0.018 X(o=0.018,f=-0.37) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 159:sc= -0.514 (180deg=-1.42) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -15:sc= -0.0361 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -2.879 -9.556 -10.294 1.00 0.00 N ATOM 151 CA ASN A 14 -2.784 -8.581 -9.214 1.00 0.00 C ATOM 152 C ASN A 14 -2.184 -7.271 -9.714 1.00 0.00 C ATOM 153 O ASN A 14 -0.967 -7.079 -9.721 1.00 0.00 O ATOM 154 CB ASN A 14 -1.936 -9.138 -8.068 1.00 0.00 C ATOM 155 CG ASN A 14 -2.174 -10.619 -7.841 1.00 0.00 C ATOM 156 OD1 ASN A 14 -1.363 -11.457 -8.234 1.00 0.00 O ATOM 157 ND2 ASN A 14 -3.292 -10.947 -7.203 1.00 0.00 N ATOM 0 HA ASN A 14 -3.792 -8.383 -8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.881 -8.971 -8.286 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.163 -8.592 -7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.506 -11.927 -7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.936 -10.218 -6.895 1.00 0.00 H new ATOM 164 N PRO A 15 -3.055 -6.346 -10.143 1.00 0.00 N ATOM 165 CA PRO A 15 -2.634 -5.037 -10.653 1.00 0.00 C ATOM 166 C PRO A 15 -2.074 -4.141 -9.554 1.00 0.00 C ATOM 167 O PRO A 15 -1.043 -3.492 -9.734 1.00 0.00 O ATOM 168 CB PRO A 15 -3.927 -4.445 -11.219 1.00 0.00 C ATOM 169 CG PRO A 15 -5.017 -5.119 -10.460 1.00 0.00 C ATOM 170 CD PRO A 15 -4.519 -6.507 -10.164 1.00 0.00 C ATOM 0 HA PRO A 15 -1.832 -5.123 -11.386 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.960 -3.364 -11.083 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.014 -4.635 -12.289 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.242 -4.581 -9.539 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.937 -5.151 -11.044 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.897 -6.875 -9.210 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.834 -7.219 -10.927 1.00 0.00 H new ATOM 178 N HIS A 16 -2.758 -4.109 -8.415 1.00 0.00 N ATOM 179 CA HIS A 16 -2.327 -3.292 -7.286 1.00 0.00 C ATOM 180 C HIS A 16 -0.850 -3.524 -6.981 1.00 0.00 C ATOM 181 O HIS A 16 -0.106 -2.579 -6.720 1.00 0.00 O ATOM 182 CB HIS A 16 -3.171 -3.607 -6.050 1.00 0.00 C ATOM 183 CG HIS A 16 -3.482 -5.063 -5.892 1.00 0.00 C ATOM 184 ND1 HIS A 16 -2.628 -5.953 -5.275 1.00 0.00 N ATOM 185 CD2 HIS A 16 -4.562 -5.784 -6.274 1.00 0.00 C ATOM 186 CE1 HIS A 16 -3.169 -7.158 -5.286 1.00 0.00 C ATOM 187 NE2 HIS A 16 -4.343 -7.083 -5.886 1.00 0.00 N ATOM 0 H HIS A 16 -3.613 -4.639 -8.249 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.465 -2.244 -7.553 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -2.644 -3.258 -5.162 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.105 -3.048 -6.106 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.434 -5.408 -6.788 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.726 -8.053 -4.874 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.983 -7.863 -6.037 1.00 0.00 H new ATOM 196 N GLU A 17 -0.434 -4.786 -7.015 1.00 0.00 N ATOM 197 CA GLU A 17 0.953 -5.140 -6.740 1.00 0.00 C ATOM 198 C GLU A 17 1.904 -4.341 -7.627 1.00 0.00 C ATOM 199 O GLU A 17 3.048 -4.081 -7.253 1.00 0.00 O ATOM 200 CB GLU A 17 1.173 -6.638 -6.958 1.00 0.00 C ATOM 201 CG GLU A 17 0.449 -7.513 -5.948 1.00 0.00 C ATOM 202 CD GLU A 17 1.140 -8.845 -5.729 1.00 0.00 C ATOM 203 OE1 GLU A 17 1.540 -9.476 -6.730 1.00 0.00 O ATOM 204 OE2 GLU A 17 1.280 -9.256 -4.558 1.00 0.00 O ATOM 0 H GLU A 17 -1.037 -5.580 -7.230 1.00 0.00 H new ATOM 0 HA GLU A 17 1.164 -4.897 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.839 -6.903 -7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.241 -6.850 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.380 -6.983 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.571 -7.689 -6.290 1.00 0.00 H new ATOM 211 N SER A 18 1.422 -3.954 -8.804 1.00 0.00 N ATOM 212 CA SER A 18 2.230 -3.188 -9.746 1.00 0.00 C ATOM 213 C SER A 18 2.161 -1.697 -9.434 1.00 0.00 C ATOM 214 O SER A 18 3.166 -0.988 -9.503 1.00 0.00 O ATOM 215 CB SER A 18 1.759 -3.444 -11.179 1.00 0.00 C ATOM 216 OG SER A 18 2.443 -4.545 -11.752 1.00 0.00 O ATOM 0 H SER A 18 0.477 -4.158 -9.128 1.00 0.00 H new ATOM 0 HA SER A 18 3.266 -3.514 -9.648 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.686 -3.636 -11.184 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.926 -2.553 -11.785 1.00 0.00 H new ATOM 0 HG SER A 18 2.123 -4.689 -12.667 1.00 0.00 H new ATOM 222 N LYS A 19 0.967 -1.225 -9.091 1.00 0.00 N ATOM 223 CA LYS A 19 0.764 0.182 -8.767 1.00 0.00 C ATOM 224 C LYS A 19 1.978 0.754 -8.042 1.00 0.00 C ATOM 225 O LYS A 19 2.652 0.069 -7.273 1.00 0.00 O ATOM 226 CB LYS A 19 -0.487 0.351 -7.901 1.00 0.00 C ATOM 227 CG LYS A 19 -1.781 0.056 -8.638 1.00 0.00 C ATOM 228 CD LYS A 19 -2.177 1.203 -9.552 1.00 0.00 C ATOM 229 CE LYS A 19 -3.352 0.827 -10.441 1.00 0.00 C ATOM 230 NZ LYS A 19 -3.525 1.786 -11.568 1.00 0.00 N ATOM 0 H LYS A 19 0.125 -1.797 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 19 0.630 0.729 -9.700 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.412 -0.309 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.520 1.372 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.667 -0.855 -9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.578 -0.127 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.438 2.075 -8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.326 1.486 -10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.200 -0.177 -10.838 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.264 0.799 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.336 1.495 -12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.695 2.740 -11.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.665 1.794 -12.152 1.00 0.00 H new ATOM 244 N PRO A 20 2.264 2.041 -8.290 1.00 0.00 N ATOM 245 CA PRO A 20 3.397 2.734 -7.670 1.00 0.00 C ATOM 246 C PRO A 20 3.187 2.967 -6.178 1.00 0.00 C ATOM 247 O PRO A 20 4.134 2.916 -5.393 1.00 0.00 O ATOM 248 CB PRO A 20 3.449 4.069 -8.417 1.00 0.00 C ATOM 249 CG PRO A 20 2.057 4.285 -8.903 1.00 0.00 C ATOM 250 CD PRO A 20 1.503 2.918 -9.196 1.00 0.00 C ATOM 0 HA PRO A 20 4.317 2.154 -7.741 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.769 4.878 -7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.156 4.032 -9.245 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.456 4.796 -8.151 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.048 4.909 -9.797 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.432 2.868 -8.999 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.648 2.641 -10.240 1.00 0.00 H new ATOM 258 N TRP A 21 1.942 3.222 -5.793 1.00 0.00 N ATOM 259 CA TRP A 21 1.608 3.462 -4.393 1.00 0.00 C ATOM 260 C TRP A 21 1.538 2.151 -3.618 1.00 0.00 C ATOM 261 O TRP A 21 1.140 2.129 -2.453 1.00 0.00 O ATOM 262 CB TRP A 21 0.275 4.204 -4.286 1.00 0.00 C ATOM 263 CG TRP A 21 -0.779 3.670 -5.208 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.157 4.194 -6.411 1.00 0.00 C ATOM 265 CD2 TRP A 21 -1.590 2.509 -5.000 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.155 3.428 -6.964 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.438 2.388 -6.118 1.00 0.00 C ATOM 268 CE3 TRP A 21 -1.682 1.559 -3.979 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.365 1.356 -6.241 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.602 0.535 -4.103 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.433 0.440 -5.227 1.00 0.00 C ATOM 0 H TRP A 21 1.147 3.268 -6.430 1.00 0.00 H new ATOM 0 HA TRP A 21 2.395 4.078 -3.958 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.086 4.142 -3.259 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.437 5.260 -4.504 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.734 5.080 -6.861 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -2.611 3.605 -7.859 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.046 1.624 -3.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.007 1.281 -7.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.682 -0.205 -3.320 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.141 -0.372 -5.294 1.00 0.00 H new ATOM 282 N TYR A 22 1.927 1.061 -4.270 1.00 0.00 N ATOM 283 CA TYR A 22 1.906 -0.254 -3.641 1.00 0.00 C ATOM 284 C TYR A 22 3.288 -0.629 -3.116 1.00 0.00 C ATOM 285 O TYR A 22 4.210 -0.889 -3.891 1.00 0.00 O ATOM 286 CB TYR A 22 1.422 -1.310 -4.636 1.00 0.00 C ATOM 287 CG TYR A 22 1.277 -2.689 -4.033 1.00 0.00 C ATOM 288 CD1 TYR A 22 2.379 -3.519 -3.871 1.00 0.00 C ATOM 289 CD2 TYR A 22 0.036 -3.162 -3.623 1.00 0.00 C ATOM 290 CE1 TYR A 22 2.251 -4.779 -3.321 1.00 0.00 C ATOM 291 CE2 TYR A 22 -0.102 -4.420 -3.070 1.00 0.00 C ATOM 292 CZ TYR A 22 1.008 -5.225 -2.922 1.00 0.00 C ATOM 293 OH TYR A 22 0.876 -6.480 -2.372 1.00 0.00 O ATOM 0 H TYR A 22 2.261 1.062 -5.234 1.00 0.00 H new ATOM 0 HA TYR A 22 1.216 -0.215 -2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.461 -0.998 -5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.122 -1.359 -5.470 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.354 -3.172 -4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.836 -2.535 -3.739 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.119 -5.411 -3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.074 -4.771 -2.755 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.064 -6.640 -2.144 1.00 0.00 H new ATOM 303 N TYR A 23 3.425 -0.656 -1.795 1.00 0.00 N ATOM 304 CA TYR A 23 4.695 -0.997 -1.165 1.00 0.00 C ATOM 305 C TYR A 23 4.655 -2.410 -0.591 1.00 0.00 C ATOM 306 O TYR A 23 3.662 -2.821 0.009 1.00 0.00 O ATOM 307 CB TYR A 23 5.024 0.006 -0.058 1.00 0.00 C ATOM 308 CG TYR A 23 5.394 1.378 -0.575 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.695 1.666 -0.970 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.443 2.386 -0.668 1.00 0.00 C ATOM 311 CE1 TYR A 23 7.037 2.918 -1.442 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.776 3.641 -1.140 1.00 0.00 C ATOM 313 CZ TYR A 23 6.074 3.902 -1.526 1.00 0.00 C ATOM 314 OH TYR A 23 6.410 5.151 -1.995 1.00 0.00 O ATOM 0 H TYR A 23 2.672 -0.446 -1.140 1.00 0.00 H new ATOM 0 HA TYR A 23 5.473 -0.955 -1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.164 0.097 0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.849 -0.383 0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.451 0.898 -0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.426 2.185 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.053 3.126 -1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.024 4.413 -1.206 1.00 0.00 H new ATOM 0 HH TYR A 23 5.595 5.648 -2.216 1.00 0.00 H new ATOM 324 N ASP A 24 5.743 -3.149 -0.780 1.00 0.00 N ATOM 325 CA ASP A 24 5.836 -4.515 -0.280 1.00 0.00 C ATOM 326 C ASP A 24 6.938 -4.637 0.768 1.00 0.00 C ATOM 327 O ASP A 24 6.785 -5.345 1.764 1.00 0.00 O ATOM 328 CB ASP A 24 6.101 -5.486 -1.432 1.00 0.00 C ATOM 329 CG ASP A 24 6.692 -6.799 -0.959 1.00 0.00 C ATOM 330 OD1 ASP A 24 6.147 -7.382 0.002 1.00 0.00 O ATOM 331 OD2 ASP A 24 7.699 -7.244 -1.548 1.00 0.00 O ATOM 0 H ASP A 24 6.573 -2.824 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 24 4.885 -4.769 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.168 -5.681 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.781 -5.021 -2.146 1.00 0.00 H new ATOM 336 N ARG A 25 8.047 -3.944 0.536 1.00 0.00 N ATOM 337 CA ARG A 25 9.176 -3.976 1.459 1.00 0.00 C ATOM 338 C ARG A 25 9.231 -2.702 2.295 1.00 0.00 C ATOM 339 O ARG A 25 10.310 -2.198 2.609 1.00 0.00 O ATOM 340 CB ARG A 25 10.486 -4.151 0.690 1.00 0.00 C ATOM 341 CG ARG A 25 11.001 -2.866 0.062 1.00 0.00 C ATOM 342 CD ARG A 25 11.811 -3.145 -1.194 1.00 0.00 C ATOM 343 NE ARG A 25 13.205 -3.456 -0.888 1.00 0.00 N ATOM 344 CZ ARG A 25 14.183 -3.404 -1.785 1.00 0.00 C ATOM 345 NH1 ARG A 25 13.922 -3.054 -3.037 1.00 0.00 N ATOM 346 NH2 ARG A 25 15.427 -3.701 -1.430 1.00 0.00 N ATOM 0 H ARG A 25 8.189 -3.353 -0.283 1.00 0.00 H new ATOM 0 HA ARG A 25 9.040 -4.824 2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.245 -4.544 1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.341 -4.895 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.160 -2.217 -0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.618 -2.330 0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.364 -3.978 -1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.769 -2.277 -1.853 1.00 0.00 H new ATOM 0 HE ARG A 25 13.440 -3.728 0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.968 -2.824 -3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.676 -3.015 -3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.632 -3.969 -0.468 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.178 -3.661 -2.120 1.00 0.00 H new ATOM 360 N LEU A 26 8.061 -2.184 2.653 1.00 0.00 N ATOM 361 CA LEU A 26 7.975 -0.967 3.453 1.00 0.00 C ATOM 362 C LEU A 26 7.437 -1.269 4.848 1.00 0.00 C ATOM 363 O LEU A 26 6.658 -2.204 5.034 1.00 0.00 O ATOM 364 CB LEU A 26 7.079 0.061 2.760 1.00 0.00 C ATOM 365 CG LEU A 26 7.117 1.479 3.331 1.00 0.00 C ATOM 366 CD1 LEU A 26 8.445 2.148 3.010 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.958 2.303 2.791 1.00 0.00 C ATOM 0 H LEU A 26 7.159 -2.588 2.402 1.00 0.00 H new ATOM 0 HA LEU A 26 8.980 -0.556 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.360 0.107 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.050 -0.298 2.800 1.00 0.00 H new ATOM 0 HG LEU A 26 7.018 1.417 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.454 3.156 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.259 1.569 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.575 2.199 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.001 3.309 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.025 2.358 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.015 1.834 3.073 1.00 0.00 H new ATOM 379 N SER A 27 7.855 -0.470 5.824 1.00 0.00 N ATOM 380 CA SER A 27 7.416 -0.653 7.203 1.00 0.00 C ATOM 381 C SER A 27 6.920 0.664 7.794 1.00 0.00 C ATOM 382 O SER A 27 7.402 1.738 7.436 1.00 0.00 O ATOM 383 CB SER A 27 8.559 -1.209 8.055 1.00 0.00 C ATOM 384 OG SER A 27 8.252 -1.126 9.436 1.00 0.00 O ATOM 0 H SER A 27 8.497 0.310 5.686 1.00 0.00 H new ATOM 0 HA SER A 27 6.591 -1.366 7.205 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.748 -2.247 7.783 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.474 -0.654 7.849 1.00 0.00 H new ATOM 0 HG SER A 27 8.997 -1.489 9.959 1.00 0.00 H new ATOM 390 N ARG A 28 5.953 0.570 8.701 1.00 0.00 N ATOM 391 CA ARG A 28 5.390 1.753 9.342 1.00 0.00 C ATOM 392 C ARG A 28 6.494 2.707 9.788 1.00 0.00 C ATOM 393 O ARG A 28 6.286 3.917 9.872 1.00 0.00 O ATOM 394 CB ARG A 28 4.534 1.349 10.543 1.00 0.00 C ATOM 395 CG ARG A 28 5.313 0.629 11.632 1.00 0.00 C ATOM 396 CD ARG A 28 4.712 0.881 13.006 1.00 0.00 C ATOM 397 NE ARG A 28 5.230 2.104 13.614 1.00 0.00 N ATOM 398 CZ ARG A 28 6.409 2.180 14.222 1.00 0.00 C ATOM 399 NH1 ARG A 28 7.188 1.110 14.301 1.00 0.00 N ATOM 400 NH2 ARG A 28 6.811 3.328 14.751 1.00 0.00 N ATOM 0 H ARG A 28 5.543 -0.312 9.008 1.00 0.00 H new ATOM 0 HA ARG A 28 4.763 2.267 8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.074 2.241 10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.724 0.705 10.201 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.321 -0.442 11.428 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.350 0.963 11.620 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.628 0.950 12.920 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.927 0.033 13.657 1.00 0.00 H new ATOM 0 HE ARG A 28 4.655 2.946 13.569 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.883 0.226 13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.093 1.171 14.768 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.215 4.154 14.691 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.716 3.385 15.218 1.00 0.00 H new ATOM 414 N GLY A 29 7.669 2.153 10.072 1.00 0.00 N ATOM 415 CA GLY A 29 8.788 2.970 10.507 1.00 0.00 C ATOM 416 C GLY A 29 9.128 4.063 9.514 1.00 0.00 C ATOM 417 O GLY A 29 9.496 5.170 9.903 1.00 0.00 O ATOM 0 H GLY A 29 7.866 1.154 10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.552 3.420 11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.661 2.335 10.657 1.00 0.00 H new ATOM 421 N GLU A 30 9.007 3.750 8.227 1.00 0.00 N ATOM 422 CA GLU A 30 9.307 4.715 7.176 1.00 0.00 C ATOM 423 C GLU A 30 8.024 5.267 6.561 1.00 0.00 C ATOM 424 O GLU A 30 7.884 6.474 6.371 1.00 0.00 O ATOM 425 CB GLU A 30 10.169 4.067 6.090 1.00 0.00 C ATOM 426 CG GLU A 30 11.608 3.831 6.516 1.00 0.00 C ATOM 427 CD GLU A 30 12.502 5.024 6.239 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.246 5.742 5.250 1.00 0.00 O ATOM 429 OE2 GLU A 30 13.458 5.241 7.013 1.00 0.00 O ATOM 0 H GLU A 30 8.704 2.837 7.888 1.00 0.00 H new ATOM 0 HA GLU A 30 9.859 5.542 7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.723 3.115 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.161 4.702 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.635 3.602 7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.000 2.959 5.992 1.00 0.00 H new ATOM 436 N ALA A 31 7.091 4.372 6.251 1.00 0.00 N ATOM 437 CA ALA A 31 5.820 4.769 5.659 1.00 0.00 C ATOM 438 C ALA A 31 5.310 6.068 6.273 1.00 0.00 C ATOM 439 O ALA A 31 5.233 7.095 5.599 1.00 0.00 O ATOM 440 CB ALA A 31 4.790 3.662 5.831 1.00 0.00 C ATOM 0 H ALA A 31 7.192 3.368 6.400 1.00 0.00 H new ATOM 0 HA ALA A 31 5.981 4.940 4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.845 3.972 5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.144 2.756 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.642 3.465 6.893 1.00 0.00 H new ATOM 446 N GLU A 32 4.962 6.015 7.555 1.00 0.00 N ATOM 447 CA GLU A 32 4.457 7.189 8.258 1.00 0.00 C ATOM 448 C GLU A 32 5.300 8.420 7.935 1.00 0.00 C ATOM 449 O GLU A 32 4.767 9.499 7.675 1.00 0.00 O ATOM 450 CB GLU A 32 4.452 6.944 9.768 1.00 0.00 C ATOM 451 CG GLU A 32 3.518 5.825 10.199 1.00 0.00 C ATOM 452 CD GLU A 32 3.793 5.348 11.611 1.00 0.00 C ATOM 453 OE1 GLU A 32 4.766 4.588 11.801 1.00 0.00 O ATOM 454 OE2 GLU A 32 3.035 5.732 12.527 1.00 0.00 O ATOM 0 H GLU A 32 5.020 5.173 8.127 1.00 0.00 H new ATOM 0 HA GLU A 32 3.436 7.370 7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.465 6.706 10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.162 7.864 10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.487 6.171 10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.619 4.987 9.510 1.00 0.00 H new ATOM 461 N ASP A 33 6.617 8.250 7.954 1.00 0.00 N ATOM 462 CA ASP A 33 7.534 9.346 7.663 1.00 0.00 C ATOM 463 C ASP A 33 7.204 9.989 6.320 1.00 0.00 C ATOM 464 O ASP A 33 6.902 11.180 6.248 1.00 0.00 O ATOM 465 CB ASP A 33 8.979 8.844 7.661 1.00 0.00 C ATOM 466 CG ASP A 33 9.964 9.913 8.090 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.649 11.110 7.925 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.051 9.553 8.589 1.00 0.00 O ATOM 0 H ASP A 33 7.074 7.364 8.168 1.00 0.00 H new ATOM 0 HA ASP A 33 7.420 10.099 8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.064 7.987 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.238 8.496 6.661 1.00 0.00 H new ATOM 473 N MET A 34 7.264 9.192 5.258 1.00 0.00 N ATOM 474 CA MET A 34 6.971 9.684 3.916 1.00 0.00 C ATOM 475 C MET A 34 5.842 10.709 3.948 1.00 0.00 C ATOM 476 O MET A 34 6.019 11.855 3.532 1.00 0.00 O ATOM 477 CB MET A 34 6.595 8.522 2.995 1.00 0.00 C ATOM 478 CG MET A 34 7.794 7.738 2.486 1.00 0.00 C ATOM 479 SD MET A 34 7.504 6.999 0.867 1.00 0.00 S ATOM 480 CE MET A 34 6.257 5.778 1.270 1.00 0.00 C ATOM 0 H MET A 34 7.513 8.204 5.300 1.00 0.00 H new ATOM 0 HA MET A 34 7.867 10.169 3.529 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.929 7.845 3.531 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.037 8.910 2.143 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.658 8.400 2.430 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.040 6.953 3.201 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.681 4.779 1.171 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.918 5.929 2.295 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.412 5.883 0.590 1.00 0.00 H new ATOM 490 N LEU A 35 4.683 10.291 4.443 1.00 0.00 N ATOM 491 CA LEU A 35 3.524 11.173 4.528 1.00 0.00 C ATOM 492 C LEU A 35 3.908 12.518 5.136 1.00 0.00 C ATOM 493 O LEU A 35 3.583 13.573 4.591 1.00 0.00 O ATOM 494 CB LEU A 35 2.421 10.520 5.362 1.00 0.00 C ATOM 495 CG LEU A 35 1.445 9.623 4.599 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.827 10.377 3.433 1.00 0.00 C ATOM 497 CD2 LEU A 35 2.148 8.365 4.110 1.00 0.00 C ATOM 0 H LEU A 35 4.520 9.346 4.792 1.00 0.00 H new ATOM 0 HA LEU A 35 3.153 11.344 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.890 9.927 6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.851 11.308 5.854 1.00 0.00 H new ATOM 0 HG LEU A 35 0.646 9.328 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.136 9.723 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.288 11.247 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.614 10.702 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.439 7.739 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.968 8.641 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.542 7.813 4.963 1.00 0.00 H new ATOM 509 N MET A 36 4.602 12.473 6.268 1.00 0.00 N ATOM 510 CA MET A 36 5.034 13.689 6.949 1.00 0.00 C ATOM 511 C MET A 36 5.824 14.590 6.005 1.00 0.00 C ATOM 512 O MET A 36 5.808 15.813 6.140 1.00 0.00 O ATOM 513 CB MET A 36 5.885 13.340 8.171 1.00 0.00 C ATOM 514 CG MET A 36 5.215 12.359 9.118 1.00 0.00 C ATOM 515 SD MET A 36 5.884 12.440 10.791 1.00 0.00 S ATOM 516 CE MET A 36 4.400 12.193 11.762 1.00 0.00 C ATOM 0 H MET A 36 4.878 11.608 6.734 1.00 0.00 H new ATOM 0 HA MET A 36 4.145 14.227 7.277 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.833 12.919 7.835 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.118 14.256 8.715 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.145 12.563 9.149 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.335 11.347 8.731 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.651 12.217 12.822 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.684 12.985 11.540 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.960 11.227 11.515 1.00 0.00 H new ATOM 526 N ARG A 37 6.514 13.977 5.048 1.00 0.00 N ATOM 527 CA ARG A 37 7.311 14.723 4.083 1.00 0.00 C ATOM 528 C ARG A 37 6.426 15.320 2.993 1.00 0.00 C ATOM 529 O ARG A 37 6.629 16.458 2.568 1.00 0.00 O ATOM 530 CB ARG A 37 8.371 13.817 3.455 1.00 0.00 C ATOM 531 CG ARG A 37 9.641 13.700 4.283 1.00 0.00 C ATOM 532 CD ARG A 37 9.552 12.556 5.281 1.00 0.00 C ATOM 533 NE ARG A 37 10.657 12.576 6.236 1.00 0.00 N ATOM 534 CZ ARG A 37 11.898 12.215 5.931 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.191 11.808 4.704 1.00 0.00 N ATOM 536 NH2 ARG A 37 12.850 12.260 6.855 1.00 0.00 N ATOM 0 H ARG A 37 6.537 12.965 4.921 1.00 0.00 H new ATOM 0 HA ARG A 37 7.807 15.537 4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.948 12.823 3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.626 14.201 2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.494 13.543 3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.818 14.635 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.606 12.617 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.553 11.607 4.745 1.00 0.00 H new ATOM 0 HE ARG A 37 10.465 12.884 7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.462 11.772 3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.145 11.531 4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.629 12.572 7.801 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.803 11.982 6.619 1.00 0.00 H new ATOM 550 N ILE A 38 5.445 14.544 2.544 1.00 0.00 N ATOM 551 CA ILE A 38 4.529 14.996 1.504 1.00 0.00 C ATOM 552 C ILE A 38 3.735 16.214 1.962 1.00 0.00 C ATOM 553 O ILE A 38 2.872 16.130 2.837 1.00 0.00 O ATOM 554 CB ILE A 38 3.548 13.882 1.094 1.00 0.00 C ATOM 555 CG1 ILE A 38 4.301 12.570 0.862 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.780 14.286 -0.155 1.00 0.00 C ATOM 557 CD1 ILE A 38 5.368 12.666 -0.205 1.00 0.00 C ATOM 0 H ILE A 38 5.264 13.600 2.884 1.00 0.00 H new ATOM 0 HA ILE A 38 5.139 15.266 0.642 1.00 0.00 H new ATOM 0 HB ILE A 38 2.833 13.731 1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.762 12.255 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.587 11.795 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.091 13.488 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.218 15.199 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.480 14.461 -0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.860 11.700 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.910 12.951 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.104 13.417 0.083 1.00 0.00 H new ATOM 569 N PRO A 39 4.029 17.375 1.358 1.00 0.00 N ATOM 570 CA PRO A 39 3.352 18.633 1.686 1.00 0.00 C ATOM 571 C PRO A 39 1.899 18.647 1.222 1.00 0.00 C ATOM 572 O PRO A 39 1.204 19.653 1.360 1.00 0.00 O ATOM 573 CB PRO A 39 4.166 19.683 0.927 1.00 0.00 C ATOM 574 CG PRO A 39 4.783 18.937 -0.206 1.00 0.00 C ATOM 575 CD PRO A 39 5.046 17.548 0.307 1.00 0.00 C ATOM 0 HA PRO A 39 3.309 18.804 2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.531 20.493 0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.926 20.133 1.566 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.116 18.915 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.707 19.415 -0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.941 16.802 -0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.056 17.451 0.705 1.00 0.00 H new ATOM 583 N ARG A 40 1.447 17.524 0.673 1.00 0.00 N ATOM 584 CA ARG A 40 0.077 17.409 0.188 1.00 0.00 C ATOM 585 C ARG A 40 -0.800 16.682 1.204 1.00 0.00 C ATOM 586 O ARG A 40 -0.625 15.488 1.448 1.00 0.00 O ATOM 587 CB ARG A 40 0.048 16.667 -1.149 1.00 0.00 C ATOM 588 CG ARG A 40 0.773 17.399 -2.267 1.00 0.00 C ATOM 589 CD ARG A 40 -0.110 18.461 -2.903 1.00 0.00 C ATOM 590 NE ARG A 40 0.579 19.178 -3.972 1.00 0.00 N ATOM 591 CZ ARG A 40 0.008 20.124 -4.709 1.00 0.00 C ATOM 592 NH1 ARG A 40 -1.254 20.466 -4.493 1.00 0.00 N ATOM 593 NH2 ARG A 40 0.702 20.732 -5.664 1.00 0.00 N ATOM 0 H ARG A 40 2.009 16.681 0.553 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.318 18.415 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.498 15.683 -1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.989 16.507 -1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.676 17.864 -1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.088 16.684 -3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.010 17.993 -3.302 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.431 19.170 -2.140 1.00 0.00 H new ATOM 0 HE ARG A 40 1.552 18.939 -4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.790 20.002 -3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.690 21.193 -5.061 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.674 20.473 -5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.263 21.458 -6.230 1.00 0.00 H new ATOM 607 N ASP A 41 -1.741 17.411 1.794 1.00 0.00 N ATOM 608 CA ASP A 41 -2.645 16.836 2.783 1.00 0.00 C ATOM 609 C ASP A 41 -3.607 15.848 2.131 1.00 0.00 C ATOM 610 O ASP A 41 -4.160 16.116 1.065 1.00 0.00 O ATOM 611 CB ASP A 41 -3.431 17.942 3.490 1.00 0.00 C ATOM 612 CG ASP A 41 -3.965 18.981 2.523 1.00 0.00 C ATOM 613 OD1 ASP A 41 -3.145 19.679 1.890 1.00 0.00 O ATOM 614 OD2 ASP A 41 -5.202 19.096 2.400 1.00 0.00 O ATOM 0 H ASP A 41 -1.898 18.401 1.605 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.046 16.299 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.262 17.499 4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.788 18.429 4.223 1.00 0.00 H new ATOM 619 N GLY A 42 -3.802 14.704 2.779 1.00 0.00 N ATOM 620 CA GLY A 42 -4.696 13.692 2.246 1.00 0.00 C ATOM 621 C GLY A 42 -3.951 12.510 1.659 1.00 0.00 C ATOM 622 O GLY A 42 -4.531 11.447 1.444 1.00 0.00 O ATOM 0 H GLY A 42 -3.357 14.460 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.358 13.343 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.327 14.138 1.477 1.00 0.00 H new ATOM 626 N ALA A 43 -2.661 12.696 1.398 1.00 0.00 N ATOM 627 CA ALA A 43 -1.835 11.636 0.833 1.00 0.00 C ATOM 628 C ALA A 43 -2.070 10.313 1.555 1.00 0.00 C ATOM 629 O ALA A 43 -2.561 10.289 2.684 1.00 0.00 O ATOM 630 CB ALA A 43 -0.365 12.021 0.898 1.00 0.00 C ATOM 0 H ALA A 43 -2.165 13.571 1.569 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.119 11.505 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.240 11.220 0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.204 12.938 0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.076 12.181 1.937 1.00 0.00 H new ATOM 636 N PHE A 44 -1.717 9.214 0.896 1.00 0.00 N ATOM 637 CA PHE A 44 -1.891 7.887 1.475 1.00 0.00 C ATOM 638 C PHE A 44 -0.955 6.879 0.816 1.00 0.00 C ATOM 639 O PHE A 44 -0.365 7.154 -0.230 1.00 0.00 O ATOM 640 CB PHE A 44 -3.343 7.428 1.322 1.00 0.00 C ATOM 641 CG PHE A 44 -3.641 6.818 -0.018 1.00 0.00 C ATOM 642 CD1 PHE A 44 -4.067 7.607 -1.073 1.00 0.00 C ATOM 643 CD2 PHE A 44 -3.494 5.455 -0.221 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.342 7.048 -2.307 1.00 0.00 C ATOM 645 CE2 PHE A 44 -3.768 4.891 -1.453 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.191 5.689 -2.497 1.00 0.00 C ATOM 0 H PHE A 44 -1.309 9.216 -0.039 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.645 7.945 2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.570 6.701 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.004 8.281 1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.186 8.671 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.162 4.827 0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.675 7.674 -3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.651 3.827 -1.599 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.403 5.251 -3.461 1.00 0.00 H new ATOM 656 N LEU A 45 -0.823 5.711 1.434 1.00 0.00 N ATOM 657 CA LEU A 45 0.042 4.661 0.909 1.00 0.00 C ATOM 658 C LEU A 45 -0.345 3.300 1.480 1.00 0.00 C ATOM 659 O LEU A 45 -0.502 3.146 2.691 1.00 0.00 O ATOM 660 CB LEU A 45 1.505 4.966 1.236 1.00 0.00 C ATOM 661 CG LEU A 45 2.012 4.455 2.585 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.564 3.045 2.449 1.00 0.00 C ATOM 663 CD2 LEU A 45 3.072 5.392 3.146 1.00 0.00 C ATOM 0 H LEU A 45 -1.304 5.467 2.300 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.083 4.630 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.129 4.539 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.646 6.046 1.203 1.00 0.00 H new ATOM 0 HG LEU A 45 1.173 4.429 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.920 2.698 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.778 2.379 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.390 3.045 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.421 5.013 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.910 5.450 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.644 6.385 3.282 1.00 0.00 H new ATOM 675 N ILE A 46 -0.494 2.316 0.600 1.00 0.00 N ATOM 676 CA ILE A 46 -0.860 0.968 1.016 1.00 0.00 C ATOM 677 C ILE A 46 0.368 0.068 1.103 1.00 0.00 C ATOM 678 O ILE A 46 1.084 -0.119 0.119 1.00 0.00 O ATOM 679 CB ILE A 46 -1.879 0.336 0.050 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.202 1.103 0.096 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.097 -1.130 0.394 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.154 0.733 -1.019 1.00 0.00 C ATOM 0 H ILE A 46 -0.367 2.427 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.315 1.055 2.003 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.482 0.395 -0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.687 0.917 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.995 2.172 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.820 -1.562 -0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.152 -1.667 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.476 -1.212 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.070 1.315 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.688 0.946 -1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.391 -0.329 -0.957 1.00 0.00 H new ATOM 694 N ARG A 47 0.605 -0.489 2.286 1.00 0.00 N ATOM 695 CA ARG A 47 1.746 -1.371 2.501 1.00 0.00 C ATOM 696 C ARG A 47 1.302 -2.694 3.117 1.00 0.00 C ATOM 697 O ARG A 47 0.359 -2.739 3.907 1.00 0.00 O ATOM 698 CB ARG A 47 2.776 -0.695 3.407 1.00 0.00 C ATOM 699 CG ARG A 47 2.241 -0.352 4.788 1.00 0.00 C ATOM 700 CD ARG A 47 3.368 -0.029 5.757 1.00 0.00 C ATOM 701 NE ARG A 47 4.182 -1.203 6.061 1.00 0.00 N ATOM 702 CZ ARG A 47 3.845 -2.118 6.962 1.00 0.00 C ATOM 703 NH1 ARG A 47 2.716 -1.996 7.646 1.00 0.00 N ATOM 704 NH2 ARG A 47 4.639 -3.158 7.182 1.00 0.00 N ATOM 0 H ARG A 47 0.022 -0.345 3.111 1.00 0.00 H new ATOM 0 HA ARG A 47 2.202 -1.576 1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.640 -1.351 3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.127 0.218 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.566 0.500 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.658 -1.189 5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.000 0.750 5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.949 0.370 6.680 1.00 0.00 H new ATOM 0 HE ARG A 47 5.058 -1.327 5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.103 -1.197 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.460 -2.701 8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.509 -3.255 6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.379 -3.860 7.874 1.00 0.00 H new ATOM 718 N LYS A 48 1.988 -3.772 2.749 1.00 0.00 N ATOM 719 CA LYS A 48 1.666 -5.097 3.265 1.00 0.00 C ATOM 720 C LYS A 48 2.093 -5.232 4.723 1.00 0.00 C ATOM 721 O LYS A 48 3.242 -4.959 5.071 1.00 0.00 O ATOM 722 CB LYS A 48 2.349 -6.175 2.421 1.00 0.00 C ATOM 723 CG LYS A 48 1.881 -7.584 2.740 1.00 0.00 C ATOM 724 CD LYS A 48 1.970 -8.491 1.524 1.00 0.00 C ATOM 725 CE LYS A 48 3.374 -9.047 1.345 1.00 0.00 C ATOM 726 NZ LYS A 48 3.467 -9.951 0.165 1.00 0.00 N ATOM 0 H LYS A 48 2.771 -3.753 2.095 1.00 0.00 H new ATOM 0 HA LYS A 48 0.586 -5.229 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.165 -5.970 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.427 -6.116 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.487 -7.996 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.852 -7.554 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.263 -9.313 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.681 -7.935 0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.078 -8.223 1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.666 -9.591 2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.440 -10.309 0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.814 -10.751 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.213 -9.426 -0.696 1.00 0.00 H new ATOM 740 N ARG A 49 1.161 -5.655 5.571 1.00 0.00 N ATOM 741 CA ARG A 49 1.442 -5.826 6.992 1.00 0.00 C ATOM 742 C ARG A 49 2.165 -7.145 7.248 1.00 0.00 C ATOM 743 O ARG A 49 1.533 -8.176 7.477 1.00 0.00 O ATOM 744 CB ARG A 49 0.144 -5.779 7.800 1.00 0.00 C ATOM 745 CG ARG A 49 0.356 -5.487 9.276 1.00 0.00 C ATOM 746 CD ARG A 49 -0.968 -5.334 10.009 1.00 0.00 C ATOM 747 NE ARG A 49 -0.846 -5.647 11.430 1.00 0.00 N ATOM 748 CZ ARG A 49 -0.327 -4.814 12.325 1.00 0.00 C ATOM 749 NH1 ARG A 49 0.116 -3.622 11.947 1.00 0.00 N ATOM 750 NH2 ARG A 49 -0.251 -5.171 13.600 1.00 0.00 N ATOM 0 H ARG A 49 0.205 -5.886 5.299 1.00 0.00 H new ATOM 0 HA ARG A 49 2.089 -5.009 7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.510 -5.016 7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.373 -6.733 7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.933 -6.294 9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.942 -4.575 9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.331 -4.313 9.893 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.711 -5.990 9.556 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.178 -6.556 11.753 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.058 -3.344 10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.514 -2.984 12.636 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.591 -6.086 13.894 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.148 -4.530 14.286 1.00 0.00 H new ATOM 812 N SER A 54 -3.667 -9.805 6.621 1.00 0.00 N ATOM 813 CA SER A 54 -4.386 -8.537 6.625 1.00 0.00 C ATOM 814 C SER A 54 -3.481 -7.397 6.168 1.00 0.00 C ATOM 815 O SER A 54 -2.280 -7.396 6.439 1.00 0.00 O ATOM 816 CB SER A 54 -4.931 -8.241 8.024 1.00 0.00 C ATOM 817 OG SER A 54 -5.294 -6.877 8.151 1.00 0.00 O ATOM 0 HA SER A 54 -5.219 -8.618 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.798 -8.871 8.221 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.178 -8.492 8.772 1.00 0.00 H new ATOM 0 HG SER A 54 -6.028 -6.675 7.533 1.00 0.00 H new ATOM 823 N TYR A 55 -4.066 -6.428 5.473 1.00 0.00 N ATOM 824 CA TYR A 55 -3.314 -5.283 4.975 1.00 0.00 C ATOM 825 C TYR A 55 -3.711 -4.008 5.713 1.00 0.00 C ATOM 826 O TYR A 55 -4.788 -3.928 6.302 1.00 0.00 O ATOM 827 CB TYR A 55 -3.543 -5.109 3.473 1.00 0.00 C ATOM 828 CG TYR A 55 -3.153 -6.321 2.657 1.00 0.00 C ATOM 829 CD1 TYR A 55 -4.055 -7.355 2.437 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.883 -6.431 2.105 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.703 -8.464 1.693 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.522 -7.536 1.358 1.00 0.00 C ATOM 833 CZ TYR A 55 -2.435 -8.550 1.155 1.00 0.00 C ATOM 834 OH TYR A 55 -2.081 -9.653 0.412 1.00 0.00 O ATOM 0 H TYR A 55 -5.059 -6.413 5.242 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.255 -5.470 5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.596 -4.887 3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.973 -4.248 3.124 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.049 -7.290 2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.165 -5.639 2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.416 -9.259 1.533 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.531 -7.605 0.935 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.155 -9.557 0.105 1.00 0.00 H new ATOM 844 N ALA A 56 -2.832 -3.011 5.674 1.00 0.00 N ATOM 845 CA ALA A 56 -3.091 -1.738 6.335 1.00 0.00 C ATOM 846 C ALA A 56 -2.775 -0.566 5.412 1.00 0.00 C ATOM 847 O ALA A 56 -1.778 -0.585 4.689 1.00 0.00 O ATOM 848 CB ALA A 56 -2.281 -1.636 7.619 1.00 0.00 C ATOM 0 H ALA A 56 -1.935 -3.061 5.192 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.151 -1.694 6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.484 -0.680 8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.559 -2.449 8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.219 -1.706 7.386 1.00 0.00 H new ATOM 854 N ILE A 57 -3.629 0.451 5.442 1.00 0.00 N ATOM 855 CA ILE A 57 -3.439 1.632 4.609 1.00 0.00 C ATOM 856 C ILE A 57 -3.117 2.858 5.456 1.00 0.00 C ATOM 857 O ILE A 57 -3.758 3.107 6.478 1.00 0.00 O ATOM 858 CB ILE A 57 -4.688 1.925 3.756 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.530 3.259 3.023 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.934 1.938 4.629 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.680 3.579 2.095 1.00 0.00 C ATOM 0 H ILE A 57 -4.459 0.481 6.034 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.598 1.420 3.949 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.797 1.135 3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.433 4.059 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.604 3.241 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.808 2.146 4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.052 0.967 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.836 2.710 5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.500 4.538 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.764 2.800 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.606 3.630 2.667 1.00 0.00 H new ATOM 873 N THR A 58 -2.118 3.622 5.026 1.00 0.00 N ATOM 874 CA THR A 58 -1.710 4.823 5.744 1.00 0.00 C ATOM 875 C THR A 58 -2.198 6.081 5.035 1.00 0.00 C ATOM 876 O THR A 58 -2.342 6.100 3.812 1.00 0.00 O ATOM 877 CB THR A 58 -0.179 4.894 5.895 1.00 0.00 C ATOM 878 OG1 THR A 58 0.329 3.631 6.338 1.00 0.00 O ATOM 879 CG2 THR A 58 0.217 5.980 6.884 1.00 0.00 C ATOM 0 H THR A 58 -1.576 3.430 4.183 1.00 0.00 H new ATOM 0 HA THR A 58 -2.164 4.768 6.734 1.00 0.00 H new ATOM 0 HB THR A 58 0.249 5.136 4.922 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.179 3.538 7.302 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.303 6.011 6.974 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.146 6.945 6.530 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.222 5.763 7.858 1.00 0.00 H new ATOM 887 N PHE A 59 -2.451 7.131 5.809 1.00 0.00 N ATOM 888 CA PHE A 59 -2.923 8.394 5.254 1.00 0.00 C ATOM 889 C PHE A 59 -2.444 9.572 6.097 1.00 0.00 C ATOM 890 O PHE A 59 -1.988 9.395 7.227 1.00 0.00 O ATOM 891 CB PHE A 59 -4.451 8.399 5.172 1.00 0.00 C ATOM 892 CG PHE A 59 -5.111 7.558 6.226 1.00 0.00 C ATOM 893 CD1 PHE A 59 -5.183 6.181 6.088 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.659 8.143 7.356 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.791 5.405 7.057 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.268 7.372 8.329 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.332 6.001 8.179 1.00 0.00 C ATOM 0 H PHE A 59 -2.337 7.132 6.823 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.511 8.498 4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.808 9.425 5.261 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.755 8.040 4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.759 5.709 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.610 9.215 7.478 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.843 4.333 6.937 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.693 7.841 9.204 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.805 5.395 8.938 1.00 0.00 H new ATOM 907 N ARG A 60 -2.551 10.773 5.539 1.00 0.00 N ATOM 908 CA ARG A 60 -2.127 11.980 6.238 1.00 0.00 C ATOM 909 C ARG A 60 -3.325 12.714 6.833 1.00 0.00 C ATOM 910 O ARG A 60 -4.241 13.113 6.114 1.00 0.00 O ATOM 911 CB ARG A 60 -1.370 12.908 5.285 1.00 0.00 C ATOM 912 CG ARG A 60 -0.358 13.802 5.982 1.00 0.00 C ATOM 913 CD ARG A 60 0.645 14.382 4.997 1.00 0.00 C ATOM 914 NE ARG A 60 1.315 15.566 5.530 1.00 0.00 N ATOM 915 CZ ARG A 60 0.691 16.710 5.786 1.00 0.00 C ATOM 916 NH1 ARG A 60 -0.610 16.826 5.558 1.00 0.00 N ATOM 917 NH2 ARG A 60 1.369 17.743 6.270 1.00 0.00 N ATOM 0 H ARG A 60 -2.928 10.936 4.605 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.464 11.684 7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.855 12.305 4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.088 13.532 4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.878 14.612 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.169 13.230 6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.389 13.625 4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.134 14.641 4.070 1.00 0.00 H new ATOM 0 HE ARG A 60 2.316 15.511 5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.135 16.035 5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.086 17.706 5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.370 17.659 6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.889 18.621 6.466 1.00 0.00 H new ATOM 931 N ALA A 61 -3.313 12.886 8.151 1.00 0.00 N ATOM 932 CA ALA A 61 -4.397 13.572 8.842 1.00 0.00 C ATOM 933 C ALA A 61 -3.963 14.959 9.304 1.00 0.00 C ATOM 934 O ALA A 61 -3.540 15.138 10.447 1.00 0.00 O ATOM 935 CB ALA A 61 -4.876 12.745 10.025 1.00 0.00 C ATOM 0 H ALA A 61 -2.564 12.559 8.761 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.222 13.694 8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.686 13.270 10.532 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.235 11.778 9.672 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.051 12.593 10.721 1.00 0.00 H new ATOM 941 N ARG A 62 -4.070 15.937 8.410 1.00 0.00 N ATOM 942 CA ARG A 62 -3.686 17.307 8.727 1.00 0.00 C ATOM 943 C ARG A 62 -2.296 17.351 9.354 1.00 0.00 C ATOM 944 O ARG A 62 -2.056 18.096 10.303 1.00 0.00 O ATOM 945 CB ARG A 62 -4.706 17.938 9.676 1.00 0.00 C ATOM 946 CG ARG A 62 -4.864 19.438 9.490 1.00 0.00 C ATOM 947 CD ARG A 62 -3.586 20.181 9.843 1.00 0.00 C ATOM 948 NE ARG A 62 -3.733 21.627 9.694 1.00 0.00 N ATOM 949 CZ ARG A 62 -2.784 22.499 10.013 1.00 0.00 C ATOM 950 NH1 ARG A 62 -1.624 22.075 10.497 1.00 0.00 N ATOM 951 NH2 ARG A 62 -2.993 23.799 9.849 1.00 0.00 N ATOM 0 H ARG A 62 -4.419 15.806 7.461 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.664 17.876 7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.673 17.458 9.527 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.405 17.738 10.704 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.136 19.651 8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.681 19.799 10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.304 19.949 10.870 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.775 19.831 9.204 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.613 21.986 9.325 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.459 21.077 10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.897 22.747 10.741 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.884 24.129 9.477 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.263 24.468 10.094 1.00 0.00 H new ATOM 965 N GLY A 63 -1.384 16.547 8.817 1.00 0.00 N ATOM 966 CA GLY A 63 -0.030 16.509 9.338 1.00 0.00 C ATOM 967 C GLY A 63 0.350 15.140 9.867 1.00 0.00 C ATOM 968 O GLY A 63 1.254 14.491 9.341 1.00 0.00 O ATOM 0 H GLY A 63 -1.558 15.921 8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.667 16.797 8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.069 17.244 10.137 1.00 0.00 H new ATOM 972 N LYS A 64 -0.341 14.700 10.913 1.00 0.00 N ATOM 973 CA LYS A 64 -0.072 13.400 11.516 1.00 0.00 C ATOM 974 C LYS A 64 -0.378 12.272 10.536 1.00 0.00 C ATOM 975 O LYS A 64 -0.834 12.514 9.418 1.00 0.00 O ATOM 976 CB LYS A 64 -0.904 13.223 12.789 1.00 0.00 C ATOM 977 CG LYS A 64 -2.374 12.949 12.522 1.00 0.00 C ATOM 978 CD LYS A 64 -3.131 12.665 13.808 1.00 0.00 C ATOM 979 CE LYS A 64 -2.953 11.221 14.252 1.00 0.00 C ATOM 980 NZ LYS A 64 -3.590 10.965 15.573 1.00 0.00 N ATOM 0 H LYS A 64 -1.092 15.225 11.361 1.00 0.00 H new ATOM 0 HA LYS A 64 0.987 13.358 11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.490 12.400 13.372 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.816 14.122 13.399 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.819 13.807 12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.470 12.098 11.847 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.780 13.334 14.593 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.191 12.874 13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.386 10.555 13.505 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.890 10.987 14.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.292 10.034 15.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.299 11.701 16.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.625 10.981 15.468 1.00 0.00 H new ATOM 994 N VAL A 65 -0.125 11.038 10.962 1.00 0.00 N ATOM 995 CA VAL A 65 -0.375 9.873 10.123 1.00 0.00 C ATOM 996 C VAL A 65 -1.119 8.789 10.895 1.00 0.00 C ATOM 997 O VAL A 65 -0.865 8.570 12.080 1.00 0.00 O ATOM 998 CB VAL A 65 0.938 9.286 9.571 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.652 8.109 8.651 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.737 10.358 8.846 1.00 0.00 C ATOM 0 H VAL A 65 0.253 10.820 11.884 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.992 10.210 9.290 1.00 0.00 H new ATOM 0 HB VAL A 65 1.534 8.925 10.409 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.591 7.708 8.271 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.124 7.333 9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.035 8.441 7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.661 9.926 8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.149 10.752 8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.974 11.166 9.538 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.038 8.112 10.216 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.819 7.048 10.836 1.00 0.00 C ATOM 1012 C LYS A 66 -2.812 5.792 9.971 1.00 0.00 C ATOM 1013 O LYS A 66 -2.255 5.786 8.872 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.259 7.513 11.068 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.475 8.171 12.419 1.00 0.00 C ATOM 1016 CD LYS A 66 -4.808 7.147 13.492 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.280 7.816 14.774 1.00 0.00 C ATOM 1018 NZ LYS A 66 -5.190 6.899 15.943 1.00 0.00 N ATOM 0 H LYS A 66 -2.261 8.281 9.235 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.362 6.808 11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.536 8.216 10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.927 6.656 10.979 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.578 8.720 12.705 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.284 8.898 12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.583 6.473 13.126 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.928 6.538 13.701 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.678 8.705 14.963 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.311 8.149 14.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.521 7.392 16.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.784 6.062 15.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.202 6.601 16.075 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.436 4.730 10.471 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.503 3.469 9.742 1.00 0.00 C ATOM 1034 C HIS A 67 -4.850 2.787 9.959 1.00 0.00 C ATOM 1035 O HIS A 67 -5.540 3.053 10.944 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.371 2.540 10.182 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.058 3.238 10.360 1.00 0.00 C ATOM 1038 ND1 HIS A 67 0.020 3.038 9.523 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.653 4.140 11.284 1.00 0.00 C ATOM 1040 CE1 HIS A 67 1.032 3.785 9.926 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.650 4.464 10.993 1.00 0.00 N ATOM 0 H HIS A 67 -3.902 4.718 11.378 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.392 3.686 8.680 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.649 2.062 11.121 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.254 1.747 9.443 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.244 4.532 12.098 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.006 3.833 9.462 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.228 5.122 11.516 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.219 1.909 9.033 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.485 1.190 9.122 1.00 0.00 C ATOM 1052 C CYS A 68 -6.295 -0.288 8.799 1.00 0.00 C ATOM 1053 O CYS A 68 -5.275 -0.684 8.235 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.513 1.804 8.170 1.00 0.00 C ATOM 1055 SG CYS A 68 -8.358 3.258 8.834 1.00 0.00 S ATOM 0 H CYS A 68 -4.660 1.678 8.212 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.851 1.276 10.145 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.013 2.080 7.242 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.257 1.048 7.919 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.841 4.334 8.318 1.00 0.00 H new ATOM 1061 N ARG A 69 -7.283 -1.100 9.162 1.00 0.00 N ATOM 1062 CA ARG A 69 -7.223 -2.535 8.914 1.00 0.00 C ATOM 1063 C ARG A 69 -8.046 -2.909 7.685 1.00 0.00 C ATOM 1064 O ARG A 69 -9.133 -2.372 7.467 1.00 0.00 O ATOM 1065 CB ARG A 69 -7.728 -3.307 10.134 1.00 0.00 C ATOM 1066 CG ARG A 69 -7.125 -4.695 10.270 1.00 0.00 C ATOM 1067 CD ARG A 69 -5.796 -4.655 11.009 1.00 0.00 C ATOM 1068 NE ARG A 69 -5.978 -4.545 12.454 1.00 0.00 N ATOM 1069 CZ ARG A 69 -6.257 -5.578 13.241 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -6.387 -6.792 12.725 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -6.407 -5.397 14.547 1.00 0.00 N ATOM 0 H ARG A 69 -8.135 -0.788 9.629 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.183 -2.803 8.729 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.505 -2.734 11.034 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.813 -3.396 10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.820 -5.344 10.803 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.979 -5.128 9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.228 -5.557 10.783 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.208 -3.810 10.652 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.886 -3.624 12.882 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.273 -6.935 11.721 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.601 -7.584 13.331 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.308 -4.464 14.947 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.621 -6.191 15.151 1.00 0.00 H new ATOM 1085 N ILE A 70 -7.521 -3.832 6.886 1.00 0.00 N ATOM 1086 CA ILE A 70 -8.208 -4.277 5.680 1.00 0.00 C ATOM 1087 C ILE A 70 -8.414 -5.788 5.691 1.00 0.00 C ATOM 1088 O ILE A 70 -7.558 -6.538 6.156 1.00 0.00 O ATOM 1089 CB ILE A 70 -7.428 -3.887 4.411 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -7.223 -2.371 4.358 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -8.160 -4.372 3.168 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -6.206 -1.935 3.326 1.00 0.00 C ATOM 0 H ILE A 70 -6.623 -4.286 7.052 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.178 -3.780 5.668 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.450 -4.367 4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.177 -1.891 4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.905 -2.021 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.596 -4.088 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -8.259 -5.457 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.150 -3.919 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.112 -0.849 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.240 -2.387 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.532 -2.255 2.336 1.00 0.00 H new ATOM 1104 N ASN A 71 -9.557 -6.227 5.174 1.00 0.00 N ATOM 1105 CA ASN A 71 -9.877 -7.650 5.123 1.00 0.00 C ATOM 1106 C ASN A 71 -9.713 -8.194 3.707 1.00 0.00 C ATOM 1107 O ASN A 71 -9.337 -7.463 2.790 1.00 0.00 O ATOM 1108 CB ASN A 71 -11.306 -7.890 5.612 1.00 0.00 C ATOM 1109 CG ASN A 71 -11.410 -7.878 7.125 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -12.023 -6.985 7.709 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -10.808 -8.873 7.767 1.00 0.00 N ATOM 0 H ASN A 71 -10.277 -5.619 4.784 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.183 -8.177 5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.962 -7.123 5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.660 -8.849 5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.843 -8.918 8.785 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.311 -9.592 7.242 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.998 -9.480 3.537 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.882 -10.123 2.233 1.00 0.00 C ATOM 1120 C ARG A 72 -10.919 -11.232 2.080 1.00 0.00 C ATOM 1121 O ARG A 72 -10.824 -12.278 2.723 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.476 -10.695 2.047 1.00 0.00 C ATOM 1123 CG ARG A 72 -8.274 -11.390 0.710 1.00 0.00 C ATOM 1124 CD ARG A 72 -7.994 -10.391 -0.401 1.00 0.00 C ATOM 1125 NE ARG A 72 -7.962 -11.027 -1.715 1.00 0.00 N ATOM 1126 CZ ARG A 72 -6.919 -11.708 -2.178 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -5.828 -11.839 -1.436 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -6.967 -12.259 -3.384 1.00 0.00 N ATOM 0 H ARG A 72 -10.311 -10.098 4.286 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.065 -9.370 1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.749 -9.888 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.272 -11.403 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.445 -12.093 0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.163 -11.971 0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.760 -9.616 -0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.040 -9.899 -0.213 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.786 -10.944 -2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.788 -11.417 -0.508 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.028 -12.362 -1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.805 -12.160 -3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.166 -12.781 -3.738 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.907 -10.996 1.225 1.00 0.00 N ATOM 1143 CA ASP A 73 -12.962 -11.974 0.986 1.00 0.00 C ATOM 1144 C ASP A 73 -12.509 -13.026 -0.023 1.00 0.00 C ATOM 1145 O ASP A 73 -13.284 -13.456 -0.876 1.00 0.00 O ATOM 1146 CB ASP A 73 -14.228 -11.279 0.483 1.00 0.00 C ATOM 1147 CG ASP A 73 -15.486 -12.059 0.811 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -15.946 -11.983 1.970 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -16.011 -12.745 -0.091 1.00 0.00 O ATOM 0 H ASP A 73 -12.000 -10.135 0.685 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.182 -12.472 1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.294 -10.285 0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.160 -11.143 -0.596 1.00 0.00 H new ATOM 1154 N GLY A 74 -11.248 -13.434 0.081 1.00 0.00 N ATOM 1155 CA GLY A 74 -10.714 -14.431 -0.829 1.00 0.00 C ATOM 1156 C GLY A 74 -10.687 -13.949 -2.266 1.00 0.00 C ATOM 1157 O GLY A 74 -9.626 -13.630 -2.801 1.00 0.00 O ATOM 0 H GLY A 74 -10.587 -13.092 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.703 -14.697 -0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.316 -15.337 -0.764 1.00 0.00 H new ATOM 1161 N ARG A 75 -11.858 -13.897 -2.892 1.00 0.00 N ATOM 1162 CA ARG A 75 -11.965 -13.454 -4.277 1.00 0.00 C ATOM 1163 C ARG A 75 -11.818 -11.938 -4.375 1.00 0.00 C ATOM 1164 O ARG A 75 -11.269 -11.419 -5.348 1.00 0.00 O ATOM 1165 CB ARG A 75 -13.306 -13.887 -4.872 1.00 0.00 C ATOM 1166 CG ARG A 75 -13.442 -13.582 -6.355 1.00 0.00 C ATOM 1167 CD ARG A 75 -14.486 -14.470 -7.013 1.00 0.00 C ATOM 1168 NE ARG A 75 -15.807 -14.297 -6.413 1.00 0.00 N ATOM 1169 CZ ARG A 75 -16.838 -15.096 -6.665 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -16.702 -16.116 -7.500 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -18.009 -14.874 -6.081 1.00 0.00 N ATOM 0 H ARG A 75 -12.746 -14.156 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.158 -13.918 -4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.433 -14.958 -4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.111 -13.389 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.716 -12.536 -6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.480 -13.724 -6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.538 -14.241 -8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.182 -15.513 -6.926 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.945 -13.521 -5.766 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.804 -16.289 -7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.495 -16.728 -7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.118 -14.089 -5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.800 -15.488 -6.275 1.00 0.00 H new ATOM 1185 N HIS A 76 -12.313 -11.234 -3.363 1.00 0.00 N ATOM 1186 CA HIS A 76 -12.237 -9.778 -3.335 1.00 0.00 C ATOM 1187 C HIS A 76 -11.692 -9.288 -1.997 1.00 0.00 C ATOM 1188 O HIS A 76 -11.430 -10.082 -1.093 1.00 0.00 O ATOM 1189 CB HIS A 76 -13.616 -9.169 -3.591 1.00 0.00 C ATOM 1190 CG HIS A 76 -14.273 -9.677 -4.837 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -13.752 -9.997 -6.045 1.00 0.00 N flip ATOM 1192 CD2 HIS A 76 -15.629 -9.909 -4.932 1.00 0.00 C flip ATOM 1193 CE1 HIS A 76 -14.792 -10.413 -6.840 1.00 0.00 C flip ATOM 1194 NE2 HIS A 76 -15.914 -10.351 -6.144 1.00 0.00 N flip ATOM 0 H HIS A 76 -12.771 -11.648 -2.551 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.555 -9.459 -4.124 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.261 -9.380 -2.738 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -13.519 -8.085 -3.657 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -12.770 -9.940 -6.315 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -16.346 -9.754 -4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -14.707 -10.738 -7.866 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.523 -7.975 -1.877 1.00 0.00 N ATOM 1204 CA PHE A 77 -11.007 -7.379 -0.650 1.00 0.00 C ATOM 1205 C PHE A 77 -12.083 -6.551 0.046 1.00 0.00 C ATOM 1206 O PHE A 77 -12.854 -5.843 -0.601 1.00 0.00 O ATOM 1207 CB PHE A 77 -9.791 -6.502 -0.956 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.631 -7.264 -1.530 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -8.767 -7.971 -2.714 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.405 -7.274 -0.885 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -7.702 -8.673 -3.245 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.336 -7.974 -1.411 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.485 -8.676 -2.592 1.00 0.00 C ATOM 0 H PHE A 77 -11.736 -7.304 -2.615 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.705 -8.186 0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.084 -5.720 -1.657 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.471 -6.005 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -9.717 -7.973 -3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.283 -6.729 0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -7.821 -9.219 -4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.385 -7.972 -0.900 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.651 -9.226 -3.003 1.00 0.00 H new ATOM 1223 N VAL A 78 -12.130 -6.647 1.371 1.00 0.00 N ATOM 1224 CA VAL A 78 -13.110 -5.908 2.157 1.00 0.00 C ATOM 1225 C VAL A 78 -12.435 -4.855 3.029 1.00 0.00 C ATOM 1226 O VAL A 78 -11.769 -5.181 4.012 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.935 -6.849 3.055 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.902 -6.052 3.918 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -14.680 -7.872 2.211 1.00 0.00 C ATOM 0 H VAL A 78 -11.500 -7.230 1.923 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.777 -5.416 1.449 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.253 -7.384 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.476 -6.734 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.342 -5.362 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.581 -5.489 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.258 -8.529 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.353 -7.357 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.964 -8.464 1.641 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.611 -3.590 2.662 1.00 0.00 N ATOM 1240 CA LEU A 79 -12.019 -2.487 3.411 1.00 0.00 C ATOM 1241 C LEU A 79 -12.501 -2.490 4.858 1.00 0.00 C ATOM 1242 O LEU A 79 -11.718 -2.697 5.784 1.00 0.00 O ATOM 1243 CB LEU A 79 -12.364 -1.152 2.749 1.00 0.00 C ATOM 1244 CG LEU A 79 -11.498 0.042 3.154 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -11.555 0.256 4.659 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -10.061 -0.162 2.696 1.00 0.00 C ATOM 0 H LEU A 79 -13.159 -3.303 1.851 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.937 -2.618 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.294 -1.276 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.403 -0.915 2.976 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.890 0.934 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.933 1.109 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.585 0.448 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.188 -0.636 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.459 0.697 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.657 -1.064 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.036 -0.265 1.611 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.798 -2.261 5.045 1.00 0.00 N ATOM 1259 CA GLY A 80 -14.363 -2.244 6.381 1.00 0.00 C ATOM 1260 C GLY A 80 -15.620 -3.084 6.490 1.00 0.00 C ATOM 1261 O GLY A 80 -15.556 -4.275 6.794 1.00 0.00 O ATOM 0 H GLY A 80 -14.467 -2.087 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.622 -2.612 7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.591 -1.216 6.663 1.00 0.00 H new ATOM 1265 N THR A 81 -16.769 -2.462 6.243 1.00 0.00 N ATOM 1266 CA THR A 81 -18.047 -3.159 6.317 1.00 0.00 C ATOM 1267 C THR A 81 -18.860 -2.955 5.044 1.00 0.00 C ATOM 1268 O THR A 81 -19.133 -1.822 4.645 1.00 0.00 O ATOM 1269 CB THR A 81 -18.877 -2.683 7.524 1.00 0.00 C ATOM 1270 OG1 THR A 81 -18.145 -2.895 8.736 1.00 0.00 O ATOM 1271 CG2 THR A 81 -20.205 -3.421 7.592 1.00 0.00 C ATOM 0 H THR A 81 -16.840 -1.476 5.990 1.00 0.00 H new ATOM 0 HA THR A 81 -17.822 -4.219 6.435 1.00 0.00 H new ATOM 0 HB THR A 81 -19.077 -1.618 7.402 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.679 -2.588 9.498 1.00 0.00 H new ATOM 0 HG21 THR A 81 -20.774 -3.068 8.452 1.00 0.00 H new ATOM 0 HG22 THR A 81 -20.772 -3.234 6.680 1.00 0.00 H new ATOM 0 HG23 THR A 81 -20.022 -4.491 7.692 1.00 0.00 H new ATOM 1279 N SER A 82 -19.244 -4.057 4.409 1.00 0.00 N ATOM 1280 CA SER A 82 -20.024 -3.999 3.178 1.00 0.00 C ATOM 1281 C SER A 82 -19.212 -3.367 2.051 1.00 0.00 C ATOM 1282 O SER A 82 -19.727 -2.562 1.276 1.00 0.00 O ATOM 1283 CB SER A 82 -21.311 -3.203 3.402 1.00 0.00 C ATOM 1284 OG SER A 82 -22.287 -3.528 2.427 1.00 0.00 O ATOM 0 H SER A 82 -19.028 -5.002 4.727 1.00 0.00 H new ATOM 0 HA SER A 82 -20.281 -5.019 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 82 -21.703 -3.412 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.094 -2.136 3.362 1.00 0.00 H new ATOM 0 HG SER A 82 -21.916 -3.381 1.532 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.939 -3.740 1.967 1.00 0.00 N ATOM 1291 CA ALA A 83 -17.056 -3.212 0.934 1.00 0.00 C ATOM 1292 C ALA A 83 -16.527 -4.329 0.041 1.00 0.00 C ATOM 1293 O ALA A 83 -15.887 -5.267 0.517 1.00 0.00 O ATOM 1294 CB ALA A 83 -15.902 -2.448 1.566 1.00 0.00 C ATOM 0 H ALA A 83 -17.497 -4.405 2.601 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.633 -2.528 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.251 -2.059 0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.294 -1.620 2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.333 -3.117 2.212 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.800 -4.223 -1.255 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.354 -5.227 -2.214 1.00 0.00 C ATOM 1302 C TYR A 84 -15.670 -4.571 -3.410 1.00 0.00 C ATOM 1303 O TYR A 84 -16.210 -3.649 -4.021 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.538 -6.070 -2.689 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.922 -7.172 -1.727 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -18.347 -6.878 -0.437 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -17.859 -8.507 -2.108 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -18.698 -7.881 0.445 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -18.209 -9.516 -1.232 1.00 0.00 C ATOM 1310 CZ TYR A 84 -18.627 -9.198 0.043 1.00 0.00 C ATOM 1311 OH TYR A 84 -18.977 -10.200 0.919 1.00 0.00 O ATOM 0 H TYR A 84 -17.328 -3.452 -1.665 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.633 -5.874 -1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.398 -5.419 -2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -17.294 -6.511 -3.655 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -18.404 -5.848 -0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -17.531 -8.760 -3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -19.026 -7.635 1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -18.156 -10.549 -1.544 1.00 0.00 H new ATOM 0 HH TYR A 84 -18.872 -11.070 0.480 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.477 -5.055 -3.740 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.717 -4.518 -4.862 1.00 0.00 C ATOM 1323 C PHE A 85 -12.843 -5.597 -5.494 1.00 0.00 C ATOM 1324 O PHE A 85 -11.927 -6.118 -4.859 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.848 -3.345 -4.403 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.636 -2.208 -3.819 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.103 -1.184 -4.628 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -13.910 -2.162 -2.462 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.828 -0.136 -4.094 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.635 -1.116 -1.921 1.00 0.00 C ATOM 1331 CZ PHE A 85 -15.095 -0.102 -2.739 1.00 0.00 C ATOM 0 H PHE A 85 -14.016 -5.819 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.425 -4.165 -5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.134 -3.701 -3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.270 -2.978 -5.251 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.898 -1.206 -5.688 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.553 -2.953 -1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.186 0.656 -4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.841 -1.092 -0.861 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.662 0.716 -2.320 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.133 -5.927 -6.749 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.374 -6.945 -7.465 1.00 0.00 C ATOM 1343 C GLU A 86 -10.887 -6.843 -7.141 1.00 0.00 C ATOM 1344 O GLU A 86 -10.228 -7.849 -6.879 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.590 -6.805 -8.974 1.00 0.00 C ATOM 1346 CG GLU A 86 -11.870 -7.864 -9.792 1.00 0.00 C ATOM 1347 CD GLU A 86 -12.399 -7.965 -11.210 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -13.522 -8.483 -11.388 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -11.691 -7.528 -12.140 1.00 0.00 O ATOM 0 H GLU A 86 -13.887 -5.504 -7.290 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.731 -7.923 -7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.658 -6.858 -9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.250 -5.819 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.805 -7.634 -9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.974 -8.831 -9.300 1.00 0.00 H new ATOM 1356 N SER A 87 -10.365 -5.621 -7.163 1.00 0.00 N ATOM 1357 CA SER A 87 -8.954 -5.387 -6.876 1.00 0.00 C ATOM 1358 C SER A 87 -8.762 -4.067 -6.136 1.00 0.00 C ATOM 1359 O SER A 87 -9.430 -3.074 -6.429 1.00 0.00 O ATOM 1360 CB SER A 87 -8.142 -5.381 -8.172 1.00 0.00 C ATOM 1361 OG SER A 87 -8.689 -4.472 -9.112 1.00 0.00 O ATOM 0 H SER A 87 -10.897 -4.778 -7.376 1.00 0.00 H new ATOM 0 HA SER A 87 -8.600 -6.196 -6.238 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.109 -5.108 -7.956 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.125 -6.384 -8.599 1.00 0.00 H new ATOM 0 HG SER A 87 -8.151 -4.485 -9.931 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.844 -4.062 -5.175 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.562 -2.864 -4.392 1.00 0.00 C ATOM 1369 C LEU A 88 -7.680 -1.611 -5.253 1.00 0.00 C ATOM 1370 O LEU A 88 -8.103 -0.557 -4.778 1.00 0.00 O ATOM 1371 CB LEU A 88 -6.162 -2.948 -3.781 1.00 0.00 C ATOM 1372 CG LEU A 88 -6.019 -3.845 -2.551 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.553 -4.144 -2.276 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.670 -3.196 -1.339 1.00 0.00 C ATOM 0 H LEU A 88 -7.282 -4.874 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.298 -2.802 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.474 -3.304 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.844 -1.941 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.529 -4.787 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.471 -4.784 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.118 -4.652 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.019 -3.211 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.559 -3.849 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.189 -2.239 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.730 -3.035 -1.538 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.305 -1.733 -6.522 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.371 -0.611 -7.450 1.00 0.00 C ATOM 1388 C VAL A 89 -8.701 0.124 -7.330 1.00 0.00 C ATOM 1389 O VAL A 89 -8.742 1.296 -6.959 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.184 -1.076 -8.907 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.195 0.115 -9.853 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.894 -1.870 -9.051 1.00 0.00 C ATOM 0 H VAL A 89 -6.952 -2.598 -6.931 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.559 0.067 -7.185 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.017 -1.728 -9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.062 -0.233 -10.877 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.148 0.638 -9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.384 0.794 -9.592 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.778 -2.191 -10.086 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.048 -1.244 -8.768 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.931 -2.745 -8.402 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.788 -0.574 -7.646 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.120 0.013 -7.573 1.00 0.00 C ATOM 1404 C GLU A 90 -11.395 0.568 -6.178 1.00 0.00 C ATOM 1405 O GLU A 90 -11.776 1.729 -6.023 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.181 -1.028 -7.937 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.051 -1.559 -9.355 1.00 0.00 C ATOM 1408 CD GLU A 90 -13.379 -2.005 -9.935 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -14.416 -1.415 -9.565 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -13.382 -2.944 -10.758 1.00 0.00 O ATOM 0 H GLU A 90 -9.772 -1.546 -7.955 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.166 0.835 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.115 -1.862 -7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.170 -0.586 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.623 -0.784 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.355 -2.398 -9.362 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.199 -0.269 -5.166 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.425 0.136 -3.783 1.00 0.00 C ATOM 1419 C LEU A 91 -10.804 1.502 -3.507 1.00 0.00 C ATOM 1420 O LEU A 91 -11.454 2.391 -2.956 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.844 -0.904 -2.824 1.00 0.00 C ATOM 1422 CG LEU A 91 -11.118 -0.674 -1.337 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -11.133 -1.996 -0.586 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -10.080 0.267 -0.743 1.00 0.00 C ATOM 0 H LEU A 91 -10.884 -1.233 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.501 0.207 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.239 -1.882 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.765 -0.943 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.100 -0.211 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.329 -1.812 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.914 -2.637 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.166 -2.487 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.290 0.419 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.087 -0.168 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.118 1.225 -1.262 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.543 1.662 -3.895 1.00 0.00 N ATOM 1437 CA VAL A 92 -8.835 2.920 -3.693 1.00 0.00 C ATOM 1438 C VAL A 92 -9.483 4.049 -4.485 1.00 0.00 C ATOM 1439 O VAL A 92 -9.864 5.077 -3.924 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.355 2.803 -4.104 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -6.659 4.150 -3.982 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.650 1.752 -3.260 1.00 0.00 C ATOM 0 H VAL A 92 -8.991 0.936 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.892 3.148 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.309 2.490 -5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.615 4.048 -4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.150 4.874 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.713 4.495 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.605 1.682 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.704 2.033 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.134 0.786 -3.402 1.00 0.00 H new ATOM 1452 N SER A 93 -9.607 3.851 -5.794 1.00 0.00 N ATOM 1453 CA SER A 93 -10.207 4.855 -6.666 1.00 0.00 C ATOM 1454 C SER A 93 -11.679 5.062 -6.322 1.00 0.00 C ATOM 1455 O SER A 93 -12.339 5.941 -6.877 1.00 0.00 O ATOM 1456 CB SER A 93 -10.067 4.437 -8.131 1.00 0.00 C ATOM 1457 OG SER A 93 -8.812 3.823 -8.369 1.00 0.00 O ATOM 0 H SER A 93 -9.300 3.005 -6.274 1.00 0.00 H new ATOM 0 HA SER A 93 -9.680 5.797 -6.513 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.869 3.747 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.176 5.311 -8.774 1.00 0.00 H new ATOM 0 HG SER A 93 -8.829 2.903 -8.033 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.186 4.247 -5.404 1.00 0.00 N ATOM 1464 CA TYR A 94 -13.580 4.338 -4.988 1.00 0.00 C ATOM 1465 C TYR A 94 -13.734 5.285 -3.801 1.00 0.00 C ATOM 1466 O TYR A 94 -14.791 5.883 -3.602 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.117 2.954 -4.621 1.00 0.00 C ATOM 1468 CG TYR A 94 -15.564 2.961 -4.183 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -15.913 3.278 -2.876 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -16.582 2.650 -5.076 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -17.233 3.286 -2.471 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -17.906 2.657 -4.680 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.226 2.975 -3.377 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.543 2.981 -2.978 1.00 0.00 O ATOM 0 H TYR A 94 -11.652 3.516 -4.934 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.156 4.734 -5.824 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.010 2.293 -5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -13.506 2.537 -3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.138 3.522 -2.164 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -16.334 2.399 -6.097 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -17.487 3.534 -1.451 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -18.686 2.415 -5.387 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.116 2.741 -3.736 1.00 0.00 H new ATOM 1484 N TYR A 95 -12.670 5.417 -3.017 1.00 0.00 N ATOM 1485 CA TYR A 95 -12.685 6.289 -1.849 1.00 0.00 C ATOM 1486 C TYR A 95 -12.267 7.708 -2.223 1.00 0.00 C ATOM 1487 O TYR A 95 -12.889 8.682 -1.799 1.00 0.00 O ATOM 1488 CB TYR A 95 -11.756 5.741 -0.764 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.442 4.806 0.205 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.202 5.301 1.259 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -12.332 3.428 0.069 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.830 4.450 2.148 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -12.958 2.570 0.952 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.706 3.086 1.990 1.00 0.00 C ATOM 1495 OH TYR A 95 -14.330 2.235 2.873 1.00 0.00 O ATOM 0 H TYR A 95 -11.786 4.931 -3.169 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.704 6.319 -1.464 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.928 5.215 -1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.328 6.576 -0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.303 6.369 1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.746 3.020 -0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -14.415 4.851 2.962 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.862 1.501 0.831 1.00 0.00 H new ATOM 0 HH TYR A 95 -14.143 1.307 2.620 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.208 7.815 -3.020 1.00 0.00 N ATOM 1506 CA GLU A 96 -10.706 9.114 -3.452 1.00 0.00 C ATOM 1507 C GLU A 96 -11.849 10.112 -3.617 1.00 0.00 C ATOM 1508 O GLU A 96 -11.695 11.302 -3.343 1.00 0.00 O ATOM 1509 CB GLU A 96 -9.939 8.978 -4.769 1.00 0.00 C ATOM 1510 CG GLU A 96 -10.574 8.000 -5.744 1.00 0.00 C ATOM 1511 CD GLU A 96 -11.800 8.573 -6.429 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -11.638 9.462 -7.291 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -12.921 8.131 -6.102 1.00 0.00 O ATOM 0 H GLU A 96 -10.682 7.018 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.029 9.487 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.870 9.957 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.920 8.655 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.840 7.716 -6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -10.852 7.090 -5.212 1.00 0.00 H new ATOM 1520 N LYS A 97 -12.997 9.618 -4.068 1.00 0.00 N ATOM 1521 CA LYS A 97 -14.168 10.463 -4.271 1.00 0.00 C ATOM 1522 C LYS A 97 -15.024 10.517 -3.010 1.00 0.00 C ATOM 1523 O LYS A 97 -15.473 11.587 -2.598 1.00 0.00 O ATOM 1524 CB LYS A 97 -15.001 9.943 -5.444 1.00 0.00 C ATOM 1525 CG LYS A 97 -14.590 10.523 -6.786 1.00 0.00 C ATOM 1526 CD LYS A 97 -15.091 11.947 -6.955 1.00 0.00 C ATOM 1527 CE LYS A 97 -14.847 12.461 -8.366 1.00 0.00 C ATOM 1528 NZ LYS A 97 -15.986 12.151 -9.274 1.00 0.00 N ATOM 0 H LYS A 97 -13.142 8.635 -4.300 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.823 11.471 -4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.916 8.857 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.051 10.174 -5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.504 10.506 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.984 9.900 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.157 11.988 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.590 12.597 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.688 13.539 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.935 12.015 -8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.781 12.518 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.122 11.121 -9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.852 12.598 -8.910 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.246 9.357 -2.400 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.047 9.273 -1.184 1.00 0.00 C ATOM 1544 C HIS A 98 -15.170 9.421 0.056 1.00 0.00 C ATOM 1545 O HIS A 98 -14.194 8.692 0.229 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.800 7.943 -1.134 1.00 0.00 C ATOM 1547 CG HIS A 98 -17.958 7.875 -2.081 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -18.418 6.694 -2.624 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -18.752 8.851 -2.580 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -19.444 6.947 -3.417 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -19.668 8.249 -3.407 1.00 0.00 N ATOM 0 H HIS A 98 -14.882 8.462 -2.728 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.768 10.090 -1.197 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.107 7.133 -1.362 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.161 7.777 -0.119 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -18.027 5.770 -2.442 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.679 9.907 -2.367 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -20.004 6.214 -3.978 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.524 10.372 0.915 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.770 10.614 2.139 1.00 0.00 C ATOM 1562 C ALA A 99 -14.322 9.304 2.777 1.00 0.00 C ATOM 1563 O ALA A 99 -14.993 8.278 2.651 1.00 0.00 O ATOM 1564 CB ALA A 99 -15.604 11.423 3.121 1.00 0.00 C ATOM 0 H ALA A 99 -16.328 10.987 0.786 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.878 11.185 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.029 11.596 4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.869 12.380 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.513 10.873 3.366 1.00 0.00 H new ATOM 1570 N LEU A 100 -13.184 9.343 3.461 1.00 0.00 N ATOM 1571 CA LEU A 100 -12.645 8.157 4.118 1.00 0.00 C ATOM 1572 C LEU A 100 -12.454 8.402 5.611 1.00 0.00 C ATOM 1573 O LEU A 100 -13.078 7.744 6.444 1.00 0.00 O ATOM 1574 CB LEU A 100 -11.313 7.758 3.481 1.00 0.00 C ATOM 1575 CG LEU A 100 -10.461 6.766 4.273 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -10.938 5.342 4.034 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.992 6.907 3.900 1.00 0.00 C ATOM 0 H LEU A 100 -12.617 10.183 3.575 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.360 7.344 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.516 7.329 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.726 8.662 3.318 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.569 6.991 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.320 4.650 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.976 5.248 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.860 5.106 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.401 6.193 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.866 6.710 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.655 7.919 4.124 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.589 9.354 5.944 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.316 9.686 7.337 1.00 0.00 C ATOM 1591 C TYR A 101 -10.910 11.150 7.478 1.00 0.00 C ATOM 1592 O TYR A 101 -10.681 11.841 6.486 1.00 0.00 O ATOM 1593 CB TYR A 101 -10.212 8.784 7.891 1.00 0.00 C ATOM 1594 CG TYR A 101 -10.043 8.886 9.390 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -11.011 8.388 10.254 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -8.914 9.478 9.943 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -10.860 8.480 11.624 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -8.754 9.573 11.312 1.00 0.00 C ATOM 1599 CZ TYR A 101 -9.730 9.073 12.148 1.00 0.00 C ATOM 1600 OH TYR A 101 -9.576 9.165 13.512 1.00 0.00 O ATOM 0 H TYR A 101 -11.065 9.909 5.268 1.00 0.00 H new ATOM 0 HA TYR A 101 -12.230 9.524 7.909 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -10.433 7.750 7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.269 9.040 7.409 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -11.896 7.921 9.848 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.148 9.871 9.291 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -11.623 8.090 12.282 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.870 10.036 11.725 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.726 9.608 13.716 1.00 0.00 H new ATOM 1610 N ARG A 102 -10.823 11.616 8.720 1.00 0.00 N ATOM 1611 CA ARG A 102 -10.446 12.997 8.994 1.00 0.00 C ATOM 1612 C ARG A 102 -10.967 13.929 7.903 1.00 0.00 C ATOM 1613 O ARG A 102 -10.202 14.676 7.292 1.00 0.00 O ATOM 1614 CB ARG A 102 -8.925 13.121 9.101 1.00 0.00 C ATOM 1615 CG ARG A 102 -8.454 14.507 9.511 1.00 0.00 C ATOM 1616 CD ARG A 102 -8.283 14.614 11.018 1.00 0.00 C ATOM 1617 NE ARG A 102 -7.459 15.759 11.396 1.00 0.00 N ATOM 1618 CZ ARG A 102 -7.487 16.319 12.600 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -8.292 15.842 13.539 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -6.707 17.359 12.867 1.00 0.00 N ATOM 0 H ARG A 102 -11.009 11.057 9.553 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.895 13.289 9.943 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.560 12.393 9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.480 12.865 8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.507 14.731 9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.173 15.252 9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -9.262 14.701 11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -7.828 13.699 11.397 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.827 16.150 10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.893 15.042 13.338 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.311 16.275 14.463 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.086 17.729 12.147 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.729 17.789 13.792 1.00 0.00 H new ATOM 1634 N LYS A 103 -12.273 13.879 7.664 1.00 0.00 N ATOM 1635 CA LYS A 103 -12.898 14.718 6.649 1.00 0.00 C ATOM 1636 C LYS A 103 -11.987 14.874 5.435 1.00 0.00 C ATOM 1637 O LYS A 103 -11.773 15.983 4.946 1.00 0.00 O ATOM 1638 CB LYS A 103 -13.231 16.095 7.229 1.00 0.00 C ATOM 1639 CG LYS A 103 -14.536 16.128 8.005 1.00 0.00 C ATOM 1640 CD LYS A 103 -15.727 16.333 7.084 1.00 0.00 C ATOM 1641 CE LYS A 103 -17.008 15.789 7.699 1.00 0.00 C ATOM 1642 NZ LYS A 103 -17.433 16.582 8.886 1.00 0.00 N ATOM 0 H LYS A 103 -12.920 13.266 8.160 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.820 14.232 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.420 16.410 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.283 16.820 6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.657 15.195 8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -14.502 16.931 8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.846 17.396 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.541 15.838 6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -17.802 15.799 6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.858 14.750 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.309 16.180 9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.686 16.552 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -17.601 17.568 8.602 1.00 0.00 H new ATOM 1656 N MET A 104 -11.454 13.755 4.954 1.00 0.00 N ATOM 1657 CA MET A 104 -10.568 13.768 3.795 1.00 0.00 C ATOM 1658 C MET A 104 -10.703 12.478 2.993 1.00 0.00 C ATOM 1659 O MET A 104 -11.195 11.469 3.501 1.00 0.00 O ATOM 1660 CB MET A 104 -9.116 13.957 4.239 1.00 0.00 C ATOM 1661 CG MET A 104 -8.606 12.844 5.140 1.00 0.00 C ATOM 1662 SD MET A 104 -6.815 12.652 5.060 1.00 0.00 S ATOM 1663 CE MET A 104 -6.682 11.046 4.279 1.00 0.00 C ATOM 0 H MET A 104 -11.620 12.829 5.348 1.00 0.00 H new ATOM 0 HA MET A 104 -10.857 14.603 3.157 1.00 0.00 H new ATOM 0 HB2 MET A 104 -8.480 14.019 3.356 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.026 14.908 4.764 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.900 13.051 6.169 1.00 0.00 H new ATOM 0 HG3 MET A 104 -9.081 11.905 4.856 1.00 0.00 H new ATOM 0 HE1 MET A 104 -5.696 10.942 3.826 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.822 10.265 5.026 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.447 10.952 3.508 1.00 0.00 H new ATOM 1673 N ARG A 105 -10.265 12.517 1.739 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.338 11.351 0.867 1.00 0.00 C ATOM 1675 C ARG A 105 -9.065 11.211 0.038 1.00 0.00 C ATOM 1676 O ARG A 105 -8.392 12.199 -0.257 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.553 11.455 -0.057 1.00 0.00 C ATOM 1678 CG ARG A 105 -11.701 12.815 -0.718 1.00 0.00 C ATOM 1679 CD ARG A 105 -13.148 13.103 -1.082 1.00 0.00 C ATOM 1680 NE ARG A 105 -13.859 13.787 -0.005 1.00 0.00 N ATOM 1681 CZ ARG A 105 -14.958 14.508 -0.191 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -15.471 14.639 -1.407 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -15.548 15.100 0.840 1.00 0.00 N ATOM 0 H ARG A 105 -9.856 13.344 1.304 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.441 10.465 1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.477 10.691 -0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.454 11.239 0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.333 13.590 -0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.084 12.853 -1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.180 13.715 -1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.656 12.167 -1.314 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.491 13.706 0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.021 14.185 -2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -16.316 15.194 -1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.157 15.001 1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -16.392 15.654 0.695 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.740 9.977 -0.334 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.547 9.707 -1.128 1.00 0.00 C ATOM 1699 C LEU A 106 -7.433 10.689 -2.290 1.00 0.00 C ATOM 1700 O LEU A 106 -8.124 10.555 -3.300 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.579 8.273 -1.660 1.00 0.00 C ATOM 1702 CG LEU A 106 -7.757 7.173 -0.613 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -7.874 5.813 -1.282 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -6.600 7.185 0.376 1.00 0.00 C ATOM 0 H LEU A 106 -9.286 9.148 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.676 9.831 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.390 8.193 -2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.651 8.086 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.679 7.366 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.000 5.043 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.736 5.809 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.970 5.611 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.744 6.396 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.664 7.018 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.563 8.150 0.881 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.554 11.675 -2.139 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.348 12.680 -3.176 1.00 0.00 C ATOM 1718 C ARG A 107 -5.070 12.398 -3.960 1.00 0.00 C ATOM 1719 O ARG A 107 -5.068 12.413 -5.191 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.281 14.077 -2.556 1.00 0.00 C ATOM 1721 CG ARG A 107 -7.645 14.704 -2.319 1.00 0.00 C ATOM 1722 CD ARG A 107 -8.177 15.375 -3.576 1.00 0.00 C ATOM 1723 NE ARG A 107 -9.581 15.752 -3.443 1.00 0.00 N ATOM 1724 CZ ARG A 107 -10.591 14.956 -3.779 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -10.352 13.746 -4.265 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -11.842 15.370 -3.629 1.00 0.00 N ATOM 0 H ARG A 107 -5.974 11.799 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.193 12.635 -3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.747 14.019 -1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.700 14.728 -3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.347 13.937 -1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.575 15.438 -1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.582 16.263 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.062 14.700 -4.424 1.00 0.00 H new ATOM 0 HE ARG A 107 -9.799 16.677 -3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.391 13.424 -4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.129 13.137 -4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -12.030 16.300 -3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -12.616 14.758 -3.887 1.00 0.00 H new ATOM 1740 N TYR A 108 -3.984 12.141 -3.238 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.699 11.858 -3.866 1.00 0.00 C ATOM 1742 C TYR A 108 -2.048 10.627 -3.243 1.00 0.00 C ATOM 1743 O TYR A 108 -1.504 10.671 -2.140 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.767 13.064 -3.733 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.453 14.389 -3.974 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.939 14.724 -5.232 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.616 15.307 -2.944 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -3.565 15.934 -5.457 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.243 16.519 -3.159 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.716 16.828 -4.418 1.00 0.00 C ATOM 1751 OH TYR A 108 -4.341 18.034 -4.637 1.00 0.00 O ATOM 0 H TYR A 108 -3.968 12.123 -2.218 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.875 11.658 -4.923 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.331 13.067 -2.734 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.944 12.956 -4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.825 14.026 -6.048 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.246 15.069 -1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.935 16.179 -6.442 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.362 17.221 -2.347 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.366 18.546 -3.802 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.103 9.500 -3.968 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.523 8.234 -3.509 1.00 0.00 C ATOM 1763 C PRO A 109 0.001 8.266 -3.495 1.00 0.00 C ATOM 1764 O PRO A 109 0.643 8.222 -4.544 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.027 7.219 -4.539 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.283 8.021 -5.768 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.735 9.374 -5.293 1.00 0.00 C ATOM 0 HA PRO A 109 -1.812 8.001 -2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.287 6.440 -4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.934 6.722 -4.194 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.382 8.102 -6.376 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.045 7.551 -6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.412 10.166 -5.969 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.821 9.434 -5.227 1.00 0.00 H new ATOM 1775 N VAL A 110 0.575 8.342 -2.298 1.00 0.00 N ATOM 1776 CA VAL A 110 2.025 8.379 -2.147 1.00 0.00 C ATOM 1777 C VAL A 110 2.704 7.437 -3.135 1.00 0.00 C ATOM 1778 O VAL A 110 2.174 6.376 -3.465 1.00 0.00 O ATOM 1779 CB VAL A 110 2.450 7.997 -0.717 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.966 7.948 -0.605 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.864 8.975 0.291 1.00 0.00 C ATOM 0 H VAL A 110 0.058 8.379 -1.419 1.00 0.00 H new ATOM 0 HA VAL A 110 2.339 9.403 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 110 2.061 7.003 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.247 7.676 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.358 7.206 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.381 8.927 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.174 8.691 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 110 2.222 9.981 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.776 8.955 0.227 1.00 0.00 H new ATOM 1791 N THR A 111 3.883 7.833 -3.606 1.00 0.00 N ATOM 1792 CA THR A 111 4.636 7.025 -4.558 1.00 0.00 C ATOM 1793 C THR A 111 6.136 7.253 -4.407 1.00 0.00 C ATOM 1794 O THR A 111 6.584 8.292 -3.921 1.00 0.00 O ATOM 1795 CB THR A 111 4.224 7.337 -6.009 1.00 0.00 C ATOM 1796 OG1 THR A 111 4.123 8.753 -6.196 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.894 6.680 -6.347 1.00 0.00 C ATOM 0 H THR A 111 4.337 8.708 -3.344 1.00 0.00 H new ATOM 0 HA THR A 111 4.406 5.982 -4.339 1.00 0.00 H new ATOM 0 HB THR A 111 4.989 6.937 -6.674 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.862 8.943 -7.121 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.624 6.914 -7.377 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.982 5.600 -6.232 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.122 7.055 -5.675 1.00 0.00 H new ATOM 1805 N PRO A 112 6.932 6.262 -4.834 1.00 0.00 N ATOM 1806 CA PRO A 112 8.394 6.332 -4.758 1.00 0.00 C ATOM 1807 C PRO A 112 8.977 7.351 -5.731 1.00 0.00 C ATOM 1808 O PRO A 112 10.194 7.503 -5.829 1.00 0.00 O ATOM 1809 CB PRO A 112 8.838 4.917 -5.136 1.00 0.00 C ATOM 1810 CG PRO A 112 7.725 4.381 -5.970 1.00 0.00 C ATOM 1811 CD PRO A 112 6.466 4.996 -5.424 1.00 0.00 C ATOM 0 HA PRO A 112 8.736 6.651 -3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.777 4.931 -5.690 1.00 0.00 H new ATOM 0 HB3 PRO A 112 9.000 4.303 -4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.863 4.641 -7.019 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.684 3.293 -5.914 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.729 5.166 -6.209 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.996 4.354 -4.679 1.00 0.00 H new ATOM 1819 N GLU A 113 8.100 8.046 -6.449 1.00 0.00 N ATOM 1820 CA GLU A 113 8.529 9.051 -7.415 1.00 0.00 C ATOM 1821 C GLU A 113 8.229 10.458 -6.907 1.00 0.00 C ATOM 1822 O GLU A 113 8.895 11.423 -7.286 1.00 0.00 O ATOM 1823 CB GLU A 113 7.837 8.824 -8.761 1.00 0.00 C ATOM 1824 CG GLU A 113 8.360 7.615 -9.518 1.00 0.00 C ATOM 1825 CD GLU A 113 9.874 7.592 -9.606 1.00 0.00 C ATOM 1826 OE1 GLU A 113 10.421 8.196 -10.553 1.00 0.00 O ATOM 1827 OE2 GLU A 113 10.510 6.970 -8.731 1.00 0.00 O ATOM 0 H GLU A 113 7.089 7.932 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 113 9.607 8.954 -7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 113 6.767 8.702 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 113 7.964 9.712 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.015 6.706 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 113 7.941 7.612 -10.524 1.00 0.00 H new ATOM 1834 N LEU A 114 7.222 10.568 -6.047 1.00 0.00 N ATOM 1835 CA LEU A 114 6.832 11.857 -5.486 1.00 0.00 C ATOM 1836 C LEU A 114 7.857 12.339 -4.465 1.00 0.00 C ATOM 1837 O LEU A 114 8.206 13.520 -4.430 1.00 0.00 O ATOM 1838 CB LEU A 114 5.453 11.754 -4.832 1.00 0.00 C ATOM 1839 CG LEU A 114 4.733 13.078 -4.573 1.00 0.00 C ATOM 1840 CD1 LEU A 114 3.812 13.421 -5.734 1.00 0.00 C ATOM 1841 CD2 LEU A 114 3.950 13.013 -3.270 1.00 0.00 C ATOM 0 H LEU A 114 6.661 9.780 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 114 6.789 12.581 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.817 11.136 -5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.562 11.230 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 114 5.482 13.865 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.308 14.366 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.398 13.510 -6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.069 12.632 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.444 13.964 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.211 12.214 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.633 12.815 -2.444 1.00 0.00 H new ATOM 1853 N LEU A 115 8.338 11.418 -3.637 1.00 0.00 N ATOM 1854 CA LEU A 115 9.326 11.748 -2.616 1.00 0.00 C ATOM 1855 C LEU A 115 10.491 12.528 -3.217 1.00 0.00 C ATOM 1856 O LEU A 115 10.899 13.560 -2.686 1.00 0.00 O ATOM 1857 CB LEU A 115 9.841 10.474 -1.946 1.00 0.00 C ATOM 1858 CG LEU A 115 9.078 10.012 -0.704 1.00 0.00 C ATOM 1859 CD1 LEU A 115 9.373 10.926 0.475 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.583 9.965 -0.984 1.00 0.00 C ATOM 0 H LEU A 115 8.060 10.437 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 115 8.842 12.375 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.822 9.668 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.884 10.629 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 115 9.412 9.006 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.821 10.581 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.441 10.909 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.068 11.944 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.055 9.634 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.234 10.959 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.387 9.268 -1.799 1.00 0.00 H new ATOM 1872 N GLU A 116 11.020 12.027 -4.329 1.00 0.00 N ATOM 1873 CA GLU A 116 12.138 12.678 -5.003 1.00 0.00 C ATOM 1874 C GLU A 116 11.703 14.004 -5.620 1.00 0.00 C ATOM 1875 O GLU A 116 12.202 15.066 -5.249 1.00 0.00 O ATOM 1876 CB GLU A 116 12.712 11.762 -6.086 1.00 0.00 C ATOM 1877 CG GLU A 116 13.108 10.387 -5.574 1.00 0.00 C ATOM 1878 CD GLU A 116 11.912 9.483 -5.347 1.00 0.00 C ATOM 1879 OE1 GLU A 116 10.814 9.814 -5.843 1.00 0.00 O ATOM 1880 OE2 GLU A 116 12.074 8.444 -4.673 1.00 0.00 O ATOM 0 H GLU A 116 10.693 11.174 -4.782 1.00 0.00 H new ATOM 0 HA GLU A 116 12.910 12.879 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.974 11.646 -6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.585 12.241 -6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.783 9.917 -6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.659 10.496 -4.640 1.00 0.00 H new ATOM 1887 N ARG A 117 10.770 13.933 -6.564 1.00 0.00 N ATOM 1888 CA ARG A 117 10.269 15.127 -7.234 1.00 0.00 C ATOM 1889 C ARG A 117 10.134 16.286 -6.251 1.00 0.00 C ATOM 1890 O ARG A 117 10.448 17.431 -6.579 1.00 0.00 O ATOM 1891 CB ARG A 117 8.918 14.840 -7.890 1.00 0.00 C ATOM 1892 CG ARG A 117 8.165 16.093 -8.308 1.00 0.00 C ATOM 1893 CD ARG A 117 7.287 15.836 -9.523 1.00 0.00 C ATOM 1894 NE ARG A 117 6.460 16.993 -9.854 1.00 0.00 N ATOM 1895 CZ ARG A 117 5.577 17.005 -10.847 1.00 0.00 C ATOM 1896 NH1 ARG A 117 5.408 15.928 -11.601 1.00 0.00 N ATOM 1897 NH2 ARG A 117 4.861 18.096 -11.086 1.00 0.00 N ATOM 0 H ARG A 117 10.346 13.061 -6.882 1.00 0.00 H new ATOM 0 HA ARG A 117 10.987 15.409 -8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.076 14.212 -8.767 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.300 14.270 -7.196 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.549 16.442 -7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.876 16.888 -8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.915 15.583 -10.377 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.646 14.975 -9.332 1.00 0.00 H new ATOM 0 HE ARG A 117 6.566 17.838 -9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.956 15.087 -11.420 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.730 15.940 -12.363 1.00 0.00 H new ATOM 0 HH21 ARG A 117 4.988 18.926 -10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.183 18.104 -11.848 1.00 0.00 H new ATOM 1911 N TYR A 118 9.665 15.981 -5.047 1.00 0.00 N ATOM 1912 CA TYR A 118 9.485 16.998 -4.017 1.00 0.00 C ATOM 1913 C TYR A 118 10.804 17.296 -3.310 1.00 0.00 C ATOM 1914 O TYR A 118 11.206 18.453 -3.185 1.00 0.00 O ATOM 1915 CB TYR A 118 8.440 16.542 -2.998 1.00 0.00 C ATOM 1916 CG TYR A 118 7.020 16.609 -3.515 1.00 0.00 C ATOM 1917 CD1 TYR A 118 6.693 16.108 -4.769 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.007 17.174 -2.751 1.00 0.00 C ATOM 1919 CE1 TYR A 118 5.398 16.168 -5.247 1.00 0.00 C ATOM 1920 CE2 TYR A 118 4.709 17.236 -3.219 1.00 0.00 C ATOM 1921 CZ TYR A 118 4.410 16.732 -4.468 1.00 0.00 C ATOM 1922 OH TYR A 118 3.118 16.794 -4.939 1.00 0.00 O ATOM 0 H TYR A 118 9.402 15.038 -4.760 1.00 0.00 H new ATOM 0 HA TYR A 118 9.138 17.911 -4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.660 15.518 -2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.522 17.161 -2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.464 15.664 -5.381 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.238 17.572 -1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.161 15.776 -6.225 1.00 0.00 H new ATOM 0 HE2 TYR A 118 3.933 17.676 -2.611 1.00 0.00 H new ATOM 0 HH TYR A 118 3.113 16.626 -5.904 1.00 0.00 H new ATOM 1932 N SER A 119 11.473 16.244 -2.850 1.00 0.00 N ATOM 1933 CA SER A 119 12.745 16.392 -2.153 1.00 0.00 C ATOM 1934 C SER A 119 13.574 17.516 -2.767 1.00 0.00 C ATOM 1935 O SER A 119 14.226 18.280 -2.057 1.00 0.00 O ATOM 1936 CB SER A 119 13.532 15.080 -2.199 1.00 0.00 C ATOM 1937 OG SER A 119 14.776 15.208 -1.533 1.00 0.00 O ATOM 0 H SER A 119 11.155 15.280 -2.947 1.00 0.00 H new ATOM 0 HA SER A 119 12.534 16.645 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.948 14.285 -1.735 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.699 14.789 -3.236 1.00 0.00 H new ATOM 0 HG SER A 119 15.259 14.356 -1.575 1.00 0.00 H new