USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 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 16 HIS :FLIP no HD1:sc= -0.49 F(o=-1.2,f=-0.41) USER MOD Set 1.2: A 87 SER OG : rot 68:sc= 0.0774 USER MOD Set 2.1: A 58 THR OG1 : rot -76:sc= 1.08 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -6.29! C(o=-5.2!,f=-6.7!) USER MOD Set 3.1: A 23 TYR OH : rot -79:sc= 1.38 USER MOD Set 3.2: A 34 MET CE :methyl -115:sc= -6.3! (180deg=-15.2!) USER MOD Single : A 14 ASN : amide:sc= -0.302 K(o=-0.3,f=-0.8) 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 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 81:sc= 1.23 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.0656 (180deg=-0.425) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.325 USER MOD Single : A 71 ASN : amide:sc= -1.33 K(o=-1.3,f=-9.8!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.53 F(o=-2.9!,f=-1.5) USER MOD Single : A 81 THR OG1 : rot 32:sc= 0.233 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 179:sc= 0.0619 USER MOD Single : A 93 SER OG : rot 180:sc= 0.00849 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= 0.0464 X(o=0.046,f=-0.26) USER MOD Single : A 101 TYR OH : rot 180:sc= -0.194 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -118:sc= -0.977 (180deg=-2.75) 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 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -3.103 -9.496 -10.363 1.00 0.00 N ATOM 151 CA ASN A 14 -2.581 -8.699 -9.260 1.00 0.00 C ATOM 152 C ASN A 14 -2.120 -7.329 -9.749 1.00 0.00 C ATOM 153 O ASN A 14 -0.928 -7.021 -9.777 1.00 0.00 O ATOM 154 CB ASN A 14 -1.419 -9.428 -8.581 1.00 0.00 C ATOM 155 CG ASN A 14 -0.380 -9.910 -9.575 1.00 0.00 C ATOM 156 OD1 ASN A 14 0.595 -9.213 -9.858 1.00 0.00 O ATOM 157 ND2 ASN A 14 -0.584 -11.108 -10.110 1.00 0.00 N ATOM 0 HA ASN A 14 -3.384 -8.556 -8.537 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.946 -8.761 -7.860 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.805 -10.280 -8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.081 -11.485 -10.785 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.406 -11.651 -9.846 1.00 0.00 H new ATOM 164 N PRO A 15 -3.085 -6.486 -10.144 1.00 0.00 N ATOM 165 CA PRO A 15 -2.803 -5.135 -10.638 1.00 0.00 C ATOM 166 C PRO A 15 -2.308 -4.206 -9.535 1.00 0.00 C ATOM 167 O PRO A 15 -1.436 -3.366 -9.762 1.00 0.00 O ATOM 168 CB PRO A 15 -4.159 -4.661 -11.167 1.00 0.00 C ATOM 169 CG PRO A 15 -5.162 -5.449 -10.399 1.00 0.00 C ATOM 170 CD PRO A 15 -4.527 -6.786 -10.138 1.00 0.00 C ATOM 0 HA PRO A 15 -2.012 -5.132 -11.388 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.293 -3.591 -11.011 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.251 -4.840 -12.238 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.418 -4.950 -9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.087 -5.560 -10.965 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.847 -7.203 -9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.789 -7.513 -10.907 1.00 0.00 H new ATOM 178 N HIS A 16 -2.868 -4.362 -8.340 1.00 0.00 N ATOM 179 CA HIS A 16 -2.481 -3.538 -7.200 1.00 0.00 C ATOM 180 C HIS A 16 -1.000 -3.714 -6.880 1.00 0.00 C ATOM 181 O HIS A 16 -0.342 -2.784 -6.414 1.00 0.00 O ATOM 182 CB HIS A 16 -3.326 -3.893 -5.976 1.00 0.00 C ATOM 183 CG HIS A 16 -3.553 -5.365 -5.813 1.00 0.00 C ATOM 184 ND1 HIS A 16 -4.490 -6.180 -6.350 1.00 0.00 N flip ATOM 185 CD2 HIS A 16 -2.763 -6.164 -5.014 1.00 0.00 C flip ATOM 186 CE1 HIS A 16 -4.251 -7.445 -5.872 1.00 0.00 C flip ATOM 187 NE2 HIS A 16 -3.204 -7.409 -5.069 1.00 0.00 N flip ATOM 0 H HIS A 16 -3.591 -5.051 -8.136 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.656 -2.494 -7.462 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -2.836 -3.508 -5.082 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.290 -3.391 -6.052 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.917 -5.826 -4.434 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.826 -8.326 -6.114 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.803 -8.206 -4.575 1.00 0.00 H new ATOM 196 N GLU A 17 -0.483 -4.912 -7.132 1.00 0.00 N ATOM 197 CA GLU A 17 0.920 -5.209 -6.868 1.00 0.00 C ATOM 198 C GLU A 17 1.826 -4.477 -7.854 1.00 0.00 C ATOM 199 O GLU A 17 3.045 -4.447 -7.689 1.00 0.00 O ATOM 200 CB GLU A 17 1.170 -6.716 -6.952 1.00 0.00 C ATOM 201 CG GLU A 17 0.447 -7.513 -5.879 1.00 0.00 C ATOM 202 CD GLU A 17 0.839 -8.978 -5.877 1.00 0.00 C ATOM 203 OE1 GLU A 17 1.143 -9.512 -6.964 1.00 0.00 O ATOM 204 OE2 GLU A 17 0.842 -9.590 -4.788 1.00 0.00 O ATOM 0 H GLU A 17 -1.014 -5.692 -7.518 1.00 0.00 H new ATOM 0 HA GLU A 17 1.154 -4.864 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.856 -7.074 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.241 -6.903 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.665 -7.081 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.629 -7.429 -6.032 1.00 0.00 H new ATOM 211 N SER A 18 1.220 -3.888 -8.880 1.00 0.00 N ATOM 212 CA SER A 18 1.971 -3.160 -9.896 1.00 0.00 C ATOM 213 C SER A 18 1.874 -1.654 -9.669 1.00 0.00 C ATOM 214 O SER A 18 2.838 -0.919 -9.878 1.00 0.00 O ATOM 215 CB SER A 18 1.453 -3.510 -11.293 1.00 0.00 C ATOM 216 OG SER A 18 1.699 -4.871 -11.601 1.00 0.00 O ATOM 0 H SER A 18 0.211 -3.901 -9.030 1.00 0.00 H new ATOM 0 HA SER A 18 3.017 -3.455 -9.819 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.383 -3.309 -11.349 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.936 -2.873 -12.034 1.00 0.00 H new ATOM 0 HG SER A 18 1.357 -5.070 -12.498 1.00 0.00 H new ATOM 222 N LYS A 19 0.701 -1.202 -9.237 1.00 0.00 N ATOM 223 CA LYS A 19 0.475 0.215 -8.979 1.00 0.00 C ATOM 224 C LYS A 19 1.658 0.828 -8.237 1.00 0.00 C ATOM 225 O LYS A 19 2.346 0.165 -7.460 1.00 0.00 O ATOM 226 CB LYS A 19 -0.807 0.408 -8.166 1.00 0.00 C ATOM 227 CG LYS A 19 -2.050 -0.130 -8.853 1.00 0.00 C ATOM 228 CD LYS A 19 -2.436 0.718 -10.053 1.00 0.00 C ATOM 229 CE LYS A 19 -3.930 0.648 -10.328 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.382 1.751 -11.221 1.00 0.00 N ATOM 0 H LYS A 19 -0.108 -1.797 -9.058 1.00 0.00 H new ATOM 0 HA LYS A 19 0.369 0.721 -9.938 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.693 -0.086 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.944 1.471 -7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.874 -1.157 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.877 -0.155 -8.143 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.146 1.754 -9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.887 0.379 -10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.170 -0.312 -10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.475 0.697 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.406 1.668 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.176 2.667 -10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.880 1.689 -12.130 1.00 0.00 H new ATOM 244 N PRO A 20 1.901 2.125 -8.478 1.00 0.00 N ATOM 245 CA PRO A 20 3.000 2.856 -7.840 1.00 0.00 C ATOM 246 C PRO A 20 2.761 3.077 -6.350 1.00 0.00 C ATOM 247 O PRO A 20 3.648 2.844 -5.529 1.00 0.00 O ATOM 248 CB PRO A 20 3.014 4.195 -8.583 1.00 0.00 C ATOM 249 CG PRO A 20 1.622 4.363 -9.087 1.00 0.00 C ATOM 250 CD PRO A 20 1.122 2.978 -9.391 1.00 0.00 C ATOM 0 HA PRO A 20 3.941 2.310 -7.899 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.296 5.013 -7.920 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.733 4.186 -9.402 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.993 4.850 -8.342 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.603 4.989 -9.979 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.051 2.889 -9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.291 2.710 -10.434 1.00 0.00 H new ATOM 258 N TRP A 21 1.559 3.526 -6.008 1.00 0.00 N ATOM 259 CA TRP A 21 1.204 3.777 -4.616 1.00 0.00 C ATOM 260 C TRP A 21 1.254 2.490 -3.800 1.00 0.00 C ATOM 261 O TRP A 21 1.189 2.520 -2.571 1.00 0.00 O ATOM 262 CB TRP A 21 -0.191 4.398 -4.528 1.00 0.00 C ATOM 263 CG TRP A 21 -1.211 3.688 -5.366 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.607 4.019 -6.630 1.00 0.00 C ATOM 265 CD2 TRP A 21 -1.965 2.528 -4.998 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.562 3.135 -7.070 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.798 2.210 -6.088 1.00 0.00 C ATOM 268 CE3 TRP A 21 -2.016 1.725 -3.855 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.672 1.126 -6.066 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.883 0.650 -3.834 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.701 0.357 -4.934 1.00 0.00 C ATOM 0 H TRP A 21 0.814 3.724 -6.676 1.00 0.00 H new ATOM 0 HA TRP A 21 1.932 4.475 -4.202 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.518 4.393 -3.488 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.137 5.441 -4.840 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.226 4.853 -7.200 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.021 3.163 -7.980 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.388 1.941 -3.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.304 0.900 -6.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.932 0.024 -2.955 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.367 -0.492 -4.887 1.00 0.00 H new ATOM 282 N TYR A 22 1.371 1.362 -4.491 1.00 0.00 N ATOM 283 CA TYR A 22 1.427 0.063 -3.830 1.00 0.00 C ATOM 284 C TYR A 22 2.848 -0.254 -3.372 1.00 0.00 C ATOM 285 O TYR A 22 3.807 -0.084 -4.125 1.00 0.00 O ATOM 286 CB TYR A 22 0.927 -1.034 -4.771 1.00 0.00 C ATOM 287 CG TYR A 22 0.936 -2.413 -4.152 1.00 0.00 C ATOM 288 CD1 TYR A 22 2.115 -3.139 -4.040 1.00 0.00 C ATOM 289 CD2 TYR A 22 -0.236 -2.991 -3.678 1.00 0.00 C ATOM 290 CE1 TYR A 22 2.128 -4.399 -3.476 1.00 0.00 C ATOM 291 CE2 TYR A 22 -0.233 -4.251 -3.111 1.00 0.00 C ATOM 292 CZ TYR A 22 0.952 -4.951 -3.013 1.00 0.00 C ATOM 293 OH TYR A 22 0.960 -6.206 -2.449 1.00 0.00 O ATOM 0 H TYR A 22 1.429 1.320 -5.509 1.00 0.00 H new ATOM 0 HA TYR A 22 0.781 0.102 -2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.088 -0.794 -5.088 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.548 -1.043 -5.667 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.038 -2.710 -4.401 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.165 -2.446 -3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.054 -4.949 -3.398 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.152 -4.685 -2.747 1.00 0.00 H new ATOM 0 HH TYR A 22 0.051 -6.447 -2.174 1.00 0.00 H new ATOM 303 N TYR A 23 2.973 -0.715 -2.133 1.00 0.00 N ATOM 304 CA TYR A 23 4.275 -1.055 -1.572 1.00 0.00 C ATOM 305 C TYR A 23 4.322 -2.520 -1.150 1.00 0.00 C ATOM 306 O TYR A 23 3.364 -3.045 -0.582 1.00 0.00 O ATOM 307 CB TYR A 23 4.587 -0.157 -0.373 1.00 0.00 C ATOM 308 CG TYR A 23 5.067 1.224 -0.760 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.376 1.435 -1.175 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.211 2.318 -0.708 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.818 2.696 -1.529 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.645 3.581 -1.061 1.00 0.00 C ATOM 313 CZ TYR A 23 5.949 3.765 -1.470 1.00 0.00 C ATOM 314 OH TYR A 23 6.385 5.022 -1.821 1.00 0.00 O ATOM 0 H TYR A 23 2.189 -0.862 -1.498 1.00 0.00 H new ATOM 0 HA TYR A 23 5.028 -0.895 -2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.692 -0.062 0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.347 -0.638 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.059 0.600 -1.222 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.190 2.178 -0.386 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.839 2.843 -1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.966 4.420 -1.017 1.00 0.00 H new ATOM 0 HH TYR A 23 6.893 5.411 -1.079 1.00 0.00 H new ATOM 324 N ASP A 24 5.443 -3.174 -1.431 1.00 0.00 N ATOM 325 CA ASP A 24 5.617 -4.579 -1.080 1.00 0.00 C ATOM 326 C ASP A 24 6.729 -4.748 -0.050 1.00 0.00 C ATOM 327 O ASP A 24 6.635 -5.583 0.850 1.00 0.00 O ATOM 328 CB ASP A 24 5.932 -5.404 -2.329 1.00 0.00 C ATOM 329 CG ASP A 24 6.754 -4.631 -3.341 1.00 0.00 C ATOM 330 OD1 ASP A 24 7.950 -4.391 -3.074 1.00 0.00 O ATOM 331 OD2 ASP A 24 6.202 -4.265 -4.400 1.00 0.00 O ATOM 0 H ASP A 24 6.245 -2.754 -1.901 1.00 0.00 H new ATOM 0 HA ASP A 24 4.685 -4.937 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.472 -6.305 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.000 -5.726 -2.793 1.00 0.00 H new ATOM 336 N ARG A 25 7.783 -3.950 -0.188 1.00 0.00 N ATOM 337 CA ARG A 25 8.915 -4.012 0.729 1.00 0.00 C ATOM 338 C ARG A 25 8.976 -2.763 1.603 1.00 0.00 C ATOM 339 O ARG A 25 10.048 -2.200 1.826 1.00 0.00 O ATOM 340 CB ARG A 25 10.222 -4.167 -0.050 1.00 0.00 C ATOM 341 CG ARG A 25 10.254 -5.392 -0.949 1.00 0.00 C ATOM 342 CD ARG A 25 11.293 -5.248 -2.050 1.00 0.00 C ATOM 343 NE ARG A 25 10.886 -4.278 -3.063 1.00 0.00 N ATOM 344 CZ ARG A 25 11.671 -3.884 -4.060 1.00 0.00 C ATOM 345 NH1 ARG A 25 12.897 -4.374 -4.177 1.00 0.00 N ATOM 346 NH2 ARG A 25 11.229 -2.997 -4.943 1.00 0.00 N ATOM 0 H ARG A 25 7.877 -3.253 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 25 8.780 -4.880 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.380 -3.276 -0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.051 -4.223 0.655 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.475 -6.277 -0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.270 -5.545 -1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.243 -4.940 -1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.458 -6.217 -2.521 1.00 0.00 H new ATOM 0 HE ARG A 25 9.948 -3.881 -3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.240 -5.056 -3.500 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.497 -4.069 -4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.286 -2.617 -4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.832 -2.695 -5.708 1.00 0.00 H new ATOM 360 N LEU A 26 7.819 -2.335 2.096 1.00 0.00 N ATOM 361 CA LEU A 26 7.740 -1.152 2.945 1.00 0.00 C ATOM 362 C LEU A 26 7.304 -1.525 4.359 1.00 0.00 C ATOM 363 O LEU A 26 6.606 -2.518 4.562 1.00 0.00 O ATOM 364 CB LEU A 26 6.763 -0.136 2.350 1.00 0.00 C ATOM 365 CG LEU A 26 6.832 1.279 2.926 1.00 0.00 C ATOM 366 CD1 LEU A 26 8.111 1.973 2.485 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.613 2.086 2.504 1.00 0.00 C ATOM 0 H LEU A 26 6.923 -2.790 1.922 1.00 0.00 H new ATOM 0 HA LEU A 26 8.733 -0.705 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.939 -0.078 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.750 -0.513 2.487 1.00 0.00 H new ATOM 0 HG LEU A 26 6.838 1.208 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.143 2.979 2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.973 1.406 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.136 2.033 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.679 3.090 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.576 2.148 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.709 1.599 2.870 1.00 0.00 H new ATOM 379 N SER A 27 7.720 -0.720 5.332 1.00 0.00 N ATOM 380 CA SER A 27 7.374 -0.967 6.727 1.00 0.00 C ATOM 381 C SER A 27 6.846 0.303 7.388 1.00 0.00 C ATOM 382 O SER A 27 7.029 1.406 6.874 1.00 0.00 O ATOM 383 CB SER A 27 8.593 -1.485 7.493 1.00 0.00 C ATOM 384 OG SER A 27 9.103 -2.667 6.900 1.00 0.00 O ATOM 0 H SER A 27 8.296 0.108 5.180 1.00 0.00 H new ATOM 0 HA SER A 27 6.589 -1.723 6.753 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.368 -0.719 7.510 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.318 -1.683 8.529 1.00 0.00 H new ATOM 0 HG SER A 27 9.882 -2.977 7.407 1.00 0.00 H new ATOM 390 N ARG A 28 6.189 0.138 8.532 1.00 0.00 N ATOM 391 CA ARG A 28 5.633 1.269 9.264 1.00 0.00 C ATOM 392 C ARG A 28 6.731 2.250 9.664 1.00 0.00 C ATOM 393 O ARG A 28 6.466 3.426 9.913 1.00 0.00 O ATOM 394 CB ARG A 28 4.890 0.783 10.509 1.00 0.00 C ATOM 395 CG ARG A 28 5.795 0.137 11.545 1.00 0.00 C ATOM 396 CD ARG A 28 5.244 0.310 12.952 1.00 0.00 C ATOM 397 NE ARG A 28 6.220 -0.066 13.972 1.00 0.00 N ATOM 398 CZ ARG A 28 5.935 -0.145 15.267 1.00 0.00 C ATOM 399 NH1 ARG A 28 4.710 0.122 15.698 1.00 0.00 N ATOM 400 NH2 ARG A 28 6.877 -0.494 16.134 1.00 0.00 N ATOM 0 H ARG A 28 6.029 -0.768 8.972 1.00 0.00 H new ATOM 0 HA ARG A 28 4.931 1.784 8.609 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.373 1.627 10.966 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.126 0.066 10.209 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.903 -0.925 11.324 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.790 0.578 11.486 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.947 1.348 13.100 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.347 -0.298 13.067 1.00 0.00 H new ATOM 0 HE ARG A 28 7.172 -0.279 13.674 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.983 0.389 15.034 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.495 0.060 16.693 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.820 -0.702 15.806 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.658 -0.555 17.128 1.00 0.00 H new ATOM 414 N GLY A 29 7.965 1.758 9.724 1.00 0.00 N ATOM 415 CA GLY A 29 9.083 2.605 10.095 1.00 0.00 C ATOM 416 C GLY A 29 9.378 3.666 9.054 1.00 0.00 C ATOM 417 O GLY A 29 9.966 4.702 9.364 1.00 0.00 O ATOM 0 H GLY A 29 8.210 0.789 9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.869 3.086 11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.969 1.988 10.241 1.00 0.00 H new ATOM 421 N GLU A 30 8.969 3.408 7.816 1.00 0.00 N ATOM 422 CA GLU A 30 9.195 4.350 6.725 1.00 0.00 C ATOM 423 C GLU A 30 7.876 4.930 6.225 1.00 0.00 C ATOM 424 O GLU A 30 7.775 6.125 5.951 1.00 0.00 O ATOM 425 CB GLU A 30 9.933 3.663 5.574 1.00 0.00 C ATOM 426 CG GLU A 30 11.355 3.255 5.919 1.00 0.00 C ATOM 427 CD GLU A 30 12.235 3.112 4.693 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.308 4.075 3.900 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.851 2.039 4.525 1.00 0.00 O ATOM 0 H GLU A 30 8.480 2.556 7.543 1.00 0.00 H new ATOM 0 HA GLU A 30 9.809 5.166 7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.373 2.778 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.955 4.334 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.789 3.997 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.336 2.309 6.460 1.00 0.00 H new ATOM 436 N ALA A 31 6.866 4.073 6.108 1.00 0.00 N ATOM 437 CA ALA A 31 5.553 4.500 5.642 1.00 0.00 C ATOM 438 C ALA A 31 5.148 5.825 6.278 1.00 0.00 C ATOM 439 O ALA A 31 5.097 6.855 5.607 1.00 0.00 O ATOM 440 CB ALA A 31 4.513 3.429 5.941 1.00 0.00 C ATOM 0 H ALA A 31 6.933 3.080 6.330 1.00 0.00 H new ATOM 0 HA ALA A 31 5.608 4.647 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.537 3.761 5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.787 2.504 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.469 3.254 7.016 1.00 0.00 H new ATOM 446 N GLU A 32 4.861 5.790 7.575 1.00 0.00 N ATOM 447 CA GLU A 32 4.459 6.990 8.301 1.00 0.00 C ATOM 448 C GLU A 32 5.304 8.189 7.879 1.00 0.00 C ATOM 449 O GLU A 32 4.773 9.247 7.543 1.00 0.00 O ATOM 450 CB GLU A 32 4.586 6.767 9.809 1.00 0.00 C ATOM 451 CG GLU A 32 3.478 5.907 10.393 1.00 0.00 C ATOM 452 CD GLU A 32 3.814 5.383 11.776 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.012 5.160 12.051 1.00 0.00 O ATOM 454 OE2 GLU A 32 2.880 5.195 12.583 1.00 0.00 O ATOM 0 H GLU A 32 4.899 4.945 8.145 1.00 0.00 H new ATOM 0 HA GLU A 32 3.417 7.199 8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.547 6.298 10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.587 7.734 10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.559 6.490 10.443 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.286 5.066 9.727 1.00 0.00 H new ATOM 461 N ASP A 33 6.620 8.014 7.901 1.00 0.00 N ATOM 462 CA ASP A 33 7.539 9.081 7.522 1.00 0.00 C ATOM 463 C ASP A 33 7.137 9.694 6.184 1.00 0.00 C ATOM 464 O ASP A 33 6.893 10.896 6.090 1.00 0.00 O ATOM 465 CB ASP A 33 8.970 8.546 7.442 1.00 0.00 C ATOM 466 CG ASP A 33 10.004 9.606 7.765 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.638 10.616 8.402 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.179 9.427 7.381 1.00 0.00 O ATOM 0 H ASP A 33 7.075 7.144 8.177 1.00 0.00 H new ATOM 0 HA ASP A 33 7.491 9.857 8.286 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.082 7.711 8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.154 8.157 6.441 1.00 0.00 H new ATOM 473 N MET A 34 7.072 8.859 5.152 1.00 0.00 N ATOM 474 CA MET A 34 6.699 9.320 3.819 1.00 0.00 C ATOM 475 C MET A 34 5.587 10.361 3.895 1.00 0.00 C ATOM 476 O MET A 34 5.727 11.473 3.385 1.00 0.00 O ATOM 477 CB MET A 34 6.251 8.139 2.955 1.00 0.00 C ATOM 478 CG MET A 34 7.401 7.408 2.281 1.00 0.00 C ATOM 479 SD MET A 34 6.927 6.671 0.706 1.00 0.00 S ATOM 480 CE MET A 34 5.769 5.418 1.253 1.00 0.00 C ATOM 0 H MET A 34 7.272 7.861 5.213 1.00 0.00 H new ATOM 0 HA MET A 34 7.574 9.783 3.363 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.698 7.434 3.576 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.562 8.499 2.191 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.224 8.104 2.119 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.770 6.628 2.946 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.170 4.429 1.028 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.613 5.511 2.328 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.819 5.550 0.736 1.00 0.00 H new ATOM 490 N LEU A 35 4.482 9.993 4.535 1.00 0.00 N ATOM 491 CA LEU A 35 3.344 10.896 4.678 1.00 0.00 C ATOM 492 C LEU A 35 3.774 12.218 5.304 1.00 0.00 C ATOM 493 O LEU A 35 3.357 13.289 4.864 1.00 0.00 O ATOM 494 CB LEU A 35 2.255 10.244 5.531 1.00 0.00 C ATOM 495 CG LEU A 35 1.276 9.334 4.789 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.664 10.063 3.602 1.00 0.00 C ATOM 497 CD2 LEU A 35 1.972 8.060 4.333 1.00 0.00 C ATOM 0 H LEU A 35 4.350 9.077 4.963 1.00 0.00 H new ATOM 0 HA LEU A 35 2.945 11.099 3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.737 9.662 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.685 11.033 6.022 1.00 0.00 H new ATOM 0 HG LEU A 35 0.474 9.061 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.030 9.400 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.129 10.945 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.454 10.367 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.260 7.425 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.794 8.314 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.361 7.527 5.201 1.00 0.00 H new ATOM 509 N MET A 36 4.611 12.135 6.333 1.00 0.00 N ATOM 510 CA MET A 36 5.100 13.326 7.018 1.00 0.00 C ATOM 511 C MET A 36 5.843 14.243 6.051 1.00 0.00 C ATOM 512 O MET A 36 5.876 15.460 6.237 1.00 0.00 O ATOM 513 CB MET A 36 6.020 12.934 8.176 1.00 0.00 C ATOM 514 CG MET A 36 5.376 11.976 9.166 1.00 0.00 C ATOM 515 SD MET A 36 6.224 11.949 10.757 1.00 0.00 S ATOM 516 CE MET A 36 4.839 11.752 11.875 1.00 0.00 C ATOM 0 H MET A 36 4.965 11.256 6.711 1.00 0.00 H new ATOM 0 HA MET A 36 4.240 13.865 7.414 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.923 12.475 7.773 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.330 13.836 8.704 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.335 12.262 9.318 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.372 10.971 8.744 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.202 11.718 12.902 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.156 12.593 11.760 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.315 10.825 11.645 1.00 0.00 H new ATOM 526 N ARG A 37 6.437 13.652 5.020 1.00 0.00 N ATOM 527 CA ARG A 37 7.180 14.416 4.026 1.00 0.00 C ATOM 528 C ARG A 37 6.231 15.132 3.070 1.00 0.00 C ATOM 529 O ARG A 37 6.514 16.241 2.614 1.00 0.00 O ATOM 530 CB ARG A 37 8.115 13.495 3.239 1.00 0.00 C ATOM 531 CG ARG A 37 9.355 13.080 4.014 1.00 0.00 C ATOM 532 CD ARG A 37 9.981 11.823 3.430 1.00 0.00 C ATOM 533 NE ARG A 37 11.416 11.754 3.693 1.00 0.00 N ATOM 534 CZ ARG A 37 12.318 12.479 3.041 1.00 0.00 C ATOM 535 NH1 ARG A 37 11.936 13.324 2.094 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.606 12.361 3.338 1.00 0.00 N ATOM 0 H ARG A 37 6.418 12.646 4.851 1.00 0.00 H new ATOM 0 HA ARG A 37 7.774 15.165 4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.566 12.601 2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.421 13.999 2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.083 13.891 4.000 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.092 12.906 5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.492 10.945 3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.808 11.798 2.354 1.00 0.00 H new ATOM 0 HE ARG A 37 11.743 11.114 4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.947 13.419 1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.631 13.879 1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.904 11.713 4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.298 12.918 2.837 1.00 0.00 H new ATOM 550 N ILE A 38 5.106 14.491 2.770 1.00 0.00 N ATOM 551 CA ILE A 38 4.116 15.068 1.869 1.00 0.00 C ATOM 552 C ILE A 38 3.395 16.242 2.523 1.00 0.00 C ATOM 553 O ILE A 38 2.629 16.080 3.474 1.00 0.00 O ATOM 554 CB ILE A 38 3.075 14.020 1.432 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.759 12.684 1.133 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.308 14.512 0.214 1.00 0.00 C ATOM 557 CD1 ILE A 38 4.941 12.806 0.198 1.00 0.00 C ATOM 0 H ILE A 38 4.858 13.572 3.138 1.00 0.00 H new ATOM 0 HA ILE A 38 4.656 15.421 0.990 1.00 0.00 H new ATOM 0 HB ILE A 38 2.367 13.870 2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.092 12.238 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.030 12.001 0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.576 13.761 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.795 15.442 0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.003 14.686 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.376 11.821 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.611 13.223 -0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.689 13.463 0.641 1.00 0.00 H new ATOM 569 N PRO A 39 3.643 17.453 2.003 1.00 0.00 N ATOM 570 CA PRO A 39 3.026 18.678 2.519 1.00 0.00 C ATOM 571 C PRO A 39 1.532 18.746 2.217 1.00 0.00 C ATOM 572 O PRO A 39 0.862 19.717 2.567 1.00 0.00 O ATOM 573 CB PRO A 39 3.772 19.790 1.778 1.00 0.00 C ATOM 574 CG PRO A 39 4.252 19.152 0.521 1.00 0.00 C ATOM 575 CD PRO A 39 4.545 17.719 0.869 1.00 0.00 C ATOM 0 HA PRO A 39 3.100 18.746 3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.116 20.635 1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.603 20.172 2.371 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.497 19.217 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.144 19.653 0.146 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.344 17.052 0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.590 17.578 1.145 1.00 0.00 H new ATOM 583 N ARG A 40 1.017 17.708 1.567 1.00 0.00 N ATOM 584 CA ARG A 40 -0.398 17.651 1.218 1.00 0.00 C ATOM 585 C ARG A 40 -1.186 16.876 2.269 1.00 0.00 C ATOM 586 O ARG A 40 -0.728 15.849 2.772 1.00 0.00 O ATOM 587 CB ARG A 40 -0.580 17.000 -0.155 1.00 0.00 C ATOM 588 CG ARG A 40 0.251 17.646 -1.251 1.00 0.00 C ATOM 589 CD ARG A 40 -0.456 18.853 -1.848 1.00 0.00 C ATOM 590 NE ARG A 40 0.486 19.821 -2.402 1.00 0.00 N ATOM 591 CZ ARG A 40 0.123 20.847 -3.164 1.00 0.00 C ATOM 592 NH1 ARG A 40 -1.155 21.038 -3.459 1.00 0.00 N ATOM 593 NH2 ARG A 40 1.040 21.685 -3.631 1.00 0.00 N ATOM 0 H ARG A 40 1.558 16.895 1.271 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.780 18.671 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.316 15.945 -0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.633 17.047 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.215 17.952 -0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.452 16.916 -2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.138 18.523 -2.631 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.061 19.335 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 40 1.477 19.703 -2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.862 20.396 -3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.431 21.827 -4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.024 21.542 -3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.761 22.472 -4.216 1.00 0.00 H new ATOM 607 N ASP A 41 -2.373 17.374 2.597 1.00 0.00 N ATOM 608 CA ASP A 41 -3.226 16.728 3.588 1.00 0.00 C ATOM 609 C ASP A 41 -4.297 15.878 2.912 1.00 0.00 C ATOM 610 O ASP A 41 -5.326 16.391 2.474 1.00 0.00 O ATOM 611 CB ASP A 41 -3.882 17.776 4.488 1.00 0.00 C ATOM 612 CG ASP A 41 -4.406 18.965 3.706 1.00 0.00 C ATOM 613 OD1 ASP A 41 -3.588 19.670 3.079 1.00 0.00 O ATOM 614 OD2 ASP A 41 -5.634 19.189 3.721 1.00 0.00 O ATOM 0 H ASP A 41 -2.767 18.223 2.191 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.602 16.075 4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.703 17.316 5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.158 18.121 5.226 1.00 0.00 H new ATOM 619 N GLY A 42 -4.048 14.574 2.831 1.00 0.00 N ATOM 620 CA GLY A 42 -4.999 13.674 2.206 1.00 0.00 C ATOM 621 C GLY A 42 -4.324 12.511 1.507 1.00 0.00 C ATOM 622 O GLY A 42 -4.988 11.575 1.063 1.00 0.00 O ATOM 0 H GLY A 42 -3.204 14.125 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.684 13.291 2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.599 14.229 1.485 1.00 0.00 H new ATOM 626 N ALA A 43 -3.000 12.570 1.408 1.00 0.00 N ATOM 627 CA ALA A 43 -2.235 11.513 0.759 1.00 0.00 C ATOM 628 C ALA A 43 -2.537 10.154 1.381 1.00 0.00 C ATOM 629 O ALA A 43 -3.095 10.072 2.476 1.00 0.00 O ATOM 630 CB ALA A 43 -0.745 11.813 0.840 1.00 0.00 C ATOM 0 H ALA A 43 -2.435 13.339 1.769 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.531 11.477 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.186 11.015 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.537 12.760 0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.444 11.879 1.885 1.00 0.00 H new ATOM 636 N PHE A 44 -2.167 9.090 0.677 1.00 0.00 N ATOM 637 CA PHE A 44 -2.401 7.734 1.160 1.00 0.00 C ATOM 638 C PHE A 44 -1.410 6.756 0.536 1.00 0.00 C ATOM 639 O PHE A 44 -0.865 7.008 -0.540 1.00 0.00 O ATOM 640 CB PHE A 44 -3.833 7.297 0.844 1.00 0.00 C ATOM 641 CG PHE A 44 -4.019 6.825 -0.569 1.00 0.00 C ATOM 642 CD1 PHE A 44 -3.631 5.549 -0.944 1.00 0.00 C ATOM 643 CD2 PHE A 44 -4.580 7.659 -1.524 1.00 0.00 C ATOM 644 CE1 PHE A 44 -3.801 5.111 -2.244 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.752 7.226 -2.825 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.361 5.952 -3.186 1.00 0.00 C ATOM 0 H PHE A 44 -1.704 9.140 -0.230 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.257 7.730 2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.119 6.496 1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.508 8.132 1.031 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.190 4.889 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.886 8.657 -1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.497 4.113 -2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.192 7.884 -3.559 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.493 5.614 -4.203 1.00 0.00 H new ATOM 656 N LEU A 45 -1.181 5.640 1.218 1.00 0.00 N ATOM 657 CA LEU A 45 -0.255 4.622 0.732 1.00 0.00 C ATOM 658 C LEU A 45 -0.561 3.265 1.356 1.00 0.00 C ATOM 659 O LEU A 45 -0.684 3.144 2.575 1.00 0.00 O ATOM 660 CB LEU A 45 1.187 5.026 1.045 1.00 0.00 C ATOM 661 CG LEU A 45 1.704 4.650 2.434 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.152 3.197 2.462 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.844 5.570 2.846 1.00 0.00 C ATOM 0 H LEU A 45 -1.623 5.416 2.109 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.377 4.540 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.840 4.570 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.274 6.106 0.927 1.00 0.00 H new ATOM 0 HG LEU A 45 0.890 4.771 3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.517 2.948 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.310 2.552 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.951 3.049 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.199 5.288 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.660 5.482 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.490 6.601 2.868 1.00 0.00 H new ATOM 675 N ILE A 46 -0.681 2.245 0.512 1.00 0.00 N ATOM 676 CA ILE A 46 -0.970 0.896 0.982 1.00 0.00 C ATOM 677 C ILE A 46 0.302 0.057 1.059 1.00 0.00 C ATOM 678 O ILE A 46 0.883 -0.304 0.035 1.00 0.00 O ATOM 679 CB ILE A 46 -1.984 0.186 0.066 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.315 0.942 0.060 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.189 -1.253 0.517 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.388 0.270 -0.767 1.00 0.00 C ATOM 0 H ILE A 46 -0.583 2.327 -0.500 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.400 0.994 1.979 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.588 0.175 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.669 1.045 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.150 1.949 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.908 -1.741 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.239 -1.786 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.566 -1.264 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.303 0.861 -0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.054 0.191 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.582 -0.727 -0.371 1.00 0.00 H new ATOM 694 N ARG A 47 0.727 -0.251 2.280 1.00 0.00 N ATOM 695 CA ARG A 47 1.930 -1.049 2.491 1.00 0.00 C ATOM 696 C ARG A 47 1.575 -2.513 2.732 1.00 0.00 C ATOM 697 O ARG A 47 0.507 -2.827 3.257 1.00 0.00 O ATOM 698 CB ARG A 47 2.727 -0.503 3.677 1.00 0.00 C ATOM 699 CG ARG A 47 1.975 -0.567 4.997 1.00 0.00 C ATOM 700 CD ARG A 47 2.815 -0.023 6.142 1.00 0.00 C ATOM 701 NE ARG A 47 3.710 -1.036 6.693 1.00 0.00 N ATOM 702 CZ ARG A 47 3.298 -2.051 7.445 1.00 0.00 C ATOM 703 NH1 ARG A 47 2.011 -2.188 7.732 1.00 0.00 N ATOM 704 NH2 ARG A 47 4.174 -2.933 7.909 1.00 0.00 N ATOM 0 H ARG A 47 0.257 0.039 3.138 1.00 0.00 H new ATOM 0 HA ARG A 47 2.542 -0.985 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.656 -1.066 3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.001 0.532 3.474 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.050 0.005 4.919 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.695 -1.599 5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.401 0.826 5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.158 0.347 6.929 1.00 0.00 H new ATOM 0 HE ARG A 47 4.707 -0.961 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.334 -1.513 7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.697 -2.968 8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.165 -2.832 7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.857 -3.712 8.486 1.00 0.00 H new ATOM 718 N LYS A 48 2.480 -3.407 2.345 1.00 0.00 N ATOM 719 CA LYS A 48 2.265 -4.838 2.519 1.00 0.00 C ATOM 720 C LYS A 48 2.973 -5.346 3.771 1.00 0.00 C ATOM 721 O LYS A 48 4.152 -5.065 3.985 1.00 0.00 O ATOM 722 CB LYS A 48 2.764 -5.603 1.292 1.00 0.00 C ATOM 723 CG LYS A 48 2.731 -7.112 1.460 1.00 0.00 C ATOM 724 CD LYS A 48 3.825 -7.788 0.650 1.00 0.00 C ATOM 725 CE LYS A 48 3.410 -9.182 0.207 1.00 0.00 C ATOM 726 NZ LYS A 48 4.583 -10.084 0.043 1.00 0.00 N ATOM 0 H LYS A 48 3.370 -3.165 1.909 1.00 0.00 H new ATOM 0 HA LYS A 48 1.194 -5.008 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.155 -5.329 0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.785 -5.293 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.849 -7.364 2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.758 -7.492 1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.059 -7.182 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.735 -7.851 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.725 -9.607 0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.867 -9.117 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.258 -11.024 -0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.225 -9.692 -0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.087 -10.167 0.949 1.00 0.00 H new ATOM 740 N ARG A 49 2.247 -6.097 4.593 1.00 0.00 N ATOM 741 CA ARG A 49 2.807 -6.644 5.823 1.00 0.00 C ATOM 742 C ARG A 49 3.355 -8.050 5.592 1.00 0.00 C ATOM 743 O ARG A 49 2.624 -9.034 5.689 1.00 0.00 O ATOM 744 CB ARG A 49 1.745 -6.674 6.923 1.00 0.00 C ATOM 745 CG ARG A 49 1.252 -5.295 7.332 1.00 0.00 C ATOM 746 CD ARG A 49 0.249 -5.377 8.472 1.00 0.00 C ATOM 747 NE ARG A 49 0.904 -5.542 9.766 1.00 0.00 N ATOM 748 CZ ARG A 49 0.261 -5.490 10.927 1.00 0.00 C ATOM 749 NH1 ARG A 49 -1.048 -5.280 10.955 1.00 0.00 N ATOM 750 NH2 ARG A 49 0.927 -5.649 12.064 1.00 0.00 N ATOM 0 H ARG A 49 1.270 -6.340 4.429 1.00 0.00 H new ATOM 0 HA ARG A 49 3.628 -5.999 6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.897 -7.267 6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.155 -7.178 7.798 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.099 -4.680 7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.791 -4.803 6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.359 -4.472 8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.428 -6.213 8.299 1.00 0.00 H new ATOM 0 HE ARG A 49 1.911 -5.706 9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.564 -5.158 10.083 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.539 -5.241 11.848 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.934 -5.811 12.047 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.432 -5.609 12.955 1.00 0.00 H new ATOM 812 N SER A 54 -2.413 -9.914 6.405 1.00 0.00 N ATOM 813 CA SER A 54 -3.289 -8.748 6.375 1.00 0.00 C ATOM 814 C SER A 54 -2.513 -7.496 5.979 1.00 0.00 C ATOM 815 O SER A 54 -1.303 -7.408 6.192 1.00 0.00 O ATOM 816 CB SER A 54 -3.947 -8.543 7.740 1.00 0.00 C ATOM 817 OG SER A 54 -4.250 -7.176 7.961 1.00 0.00 O ATOM 0 HA SER A 54 -4.064 -8.926 5.629 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.860 -9.135 7.799 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.282 -8.903 8.525 1.00 0.00 H new ATOM 0 HG SER A 54 -5.083 -6.947 7.499 1.00 0.00 H new ATOM 823 N TYR A 55 -3.217 -6.529 5.401 1.00 0.00 N ATOM 824 CA TYR A 55 -2.596 -5.282 4.972 1.00 0.00 C ATOM 825 C TYR A 55 -3.076 -4.112 5.825 1.00 0.00 C ATOM 826 O TYR A 55 -3.823 -4.296 6.786 1.00 0.00 O ATOM 827 CB TYR A 55 -2.905 -5.014 3.498 1.00 0.00 C ATOM 828 CG TYR A 55 -2.342 -6.059 2.561 1.00 0.00 C ATOM 829 CD1 TYR A 55 -2.942 -7.306 2.438 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.211 -5.798 1.798 1.00 0.00 C ATOM 831 CE1 TYR A 55 -2.431 -8.264 1.584 1.00 0.00 C ATOM 832 CE2 TYR A 55 -0.693 -6.750 0.940 1.00 0.00 C ATOM 833 CZ TYR A 55 -1.306 -7.981 0.837 1.00 0.00 C ATOM 834 OH TYR A 55 -0.794 -8.932 -0.016 1.00 0.00 O ATOM 0 H TYR A 55 -4.219 -6.585 5.219 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.518 -5.381 5.098 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.986 -4.964 3.365 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.504 -4.038 3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.823 -7.530 3.020 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.728 -4.835 1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.909 -9.229 1.502 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.187 -6.531 0.353 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.002 -8.573 -0.468 1.00 0.00 H new ATOM 844 N ALA A 56 -2.642 -2.909 5.465 1.00 0.00 N ATOM 845 CA ALA A 56 -3.029 -1.708 6.195 1.00 0.00 C ATOM 846 C ALA A 56 -2.652 -0.449 5.420 1.00 0.00 C ATOM 847 O ALA A 56 -1.492 -0.260 5.053 1.00 0.00 O ATOM 848 CB ALA A 56 -2.383 -1.696 7.572 1.00 0.00 C ATOM 0 H ALA A 56 -2.022 -2.740 4.673 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.112 -1.719 6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.681 -0.793 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.706 -2.573 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.298 -1.713 7.465 1.00 0.00 H new ATOM 854 N ILE A 57 -3.638 0.407 5.175 1.00 0.00 N ATOM 855 CA ILE A 57 -3.408 1.647 4.445 1.00 0.00 C ATOM 856 C ILE A 57 -2.955 2.761 5.382 1.00 0.00 C ATOM 857 O ILE A 57 -3.354 2.810 6.546 1.00 0.00 O ATOM 858 CB ILE A 57 -4.675 2.104 3.698 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.361 3.303 2.801 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.777 2.450 4.687 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.546 3.780 1.992 1.00 0.00 C ATOM 0 H ILE A 57 -4.604 0.265 5.471 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.621 1.444 3.719 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.023 1.285 3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.000 4.124 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.552 3.036 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.666 2.771 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.016 1.572 5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.440 3.255 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.250 4.632 1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.894 2.973 1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.349 4.079 2.665 1.00 0.00 H new ATOM 873 N THR A 58 -2.118 3.657 4.867 1.00 0.00 N ATOM 874 CA THR A 58 -1.611 4.772 5.656 1.00 0.00 C ATOM 875 C THR A 58 -1.778 6.093 4.914 1.00 0.00 C ATOM 876 O THR A 58 -1.351 6.231 3.767 1.00 0.00 O ATOM 877 CB THR A 58 -0.124 4.579 6.009 1.00 0.00 C ATOM 878 OG1 THR A 58 0.067 3.314 6.653 1.00 0.00 O ATOM 879 CG2 THR A 58 0.365 5.696 6.919 1.00 0.00 C ATOM 0 H THR A 58 -1.777 3.631 3.906 1.00 0.00 H new ATOM 0 HA THR A 58 -2.195 4.800 6.576 1.00 0.00 H new ATOM 0 HB THR A 58 0.453 4.606 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.246 3.368 7.580 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.417 5.539 7.155 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.246 6.655 6.415 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.217 5.696 7.840 1.00 0.00 H new ATOM 887 N PHE A 59 -2.401 7.063 5.575 1.00 0.00 N ATOM 888 CA PHE A 59 -2.625 8.374 4.977 1.00 0.00 C ATOM 889 C PHE A 59 -2.210 9.487 5.935 1.00 0.00 C ATOM 890 O PHE A 59 -1.723 9.224 7.035 1.00 0.00 O ATOM 891 CB PHE A 59 -4.097 8.538 4.593 1.00 0.00 C ATOM 892 CG PHE A 59 -5.043 7.850 5.536 1.00 0.00 C ATOM 893 CD1 PHE A 59 -5.091 6.467 5.602 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.883 8.586 6.356 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.961 5.832 6.468 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.754 7.956 7.224 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.793 6.577 7.281 1.00 0.00 C ATOM 0 H PHE A 59 -2.760 6.966 6.525 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.012 8.445 4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.339 9.600 4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.248 8.144 3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.442 5.879 4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.857 9.665 6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.990 4.753 6.509 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.404 8.542 7.857 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.472 6.082 7.959 1.00 0.00 H new ATOM 907 N ARG A 60 -2.406 10.730 5.509 1.00 0.00 N ATOM 908 CA ARG A 60 -2.051 11.883 6.327 1.00 0.00 C ATOM 909 C ARG A 60 -3.301 12.569 6.872 1.00 0.00 C ATOM 910 O ARG A 60 -4.221 12.891 6.121 1.00 0.00 O ATOM 911 CB ARG A 60 -1.225 12.879 5.512 1.00 0.00 C ATOM 912 CG ARG A 60 -0.546 13.944 6.358 1.00 0.00 C ATOM 913 CD ARG A 60 0.525 14.682 5.569 1.00 0.00 C ATOM 914 NE ARG A 60 1.064 15.819 6.311 1.00 0.00 N ATOM 915 CZ ARG A 60 0.388 16.940 6.532 1.00 0.00 C ATOM 916 NH1 ARG A 60 -0.848 17.075 6.071 1.00 0.00 N ATOM 917 NH2 ARG A 60 0.947 17.930 7.216 1.00 0.00 N ATOM 0 H ARG A 60 -2.809 10.965 4.602 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.455 11.530 7.168 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.466 12.335 4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.873 13.365 4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.290 14.655 6.717 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.098 13.481 7.237 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.333 13.993 5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.105 15.031 4.626 1.00 0.00 H new ATOM 0 HE ARG A 60 2.012 15.748 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.282 16.316 5.545 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.365 17.937 6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.897 17.830 7.573 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.426 18.791 7.385 1.00 0.00 H new ATOM 931 N ALA A 61 -3.326 12.787 8.183 1.00 0.00 N ATOM 932 CA ALA A 61 -4.462 13.435 8.828 1.00 0.00 C ATOM 933 C ALA A 61 -4.003 14.579 9.726 1.00 0.00 C ATOM 934 O ALA A 61 -3.136 14.400 10.581 1.00 0.00 O ATOM 935 CB ALA A 61 -5.263 12.420 9.630 1.00 0.00 C ATOM 0 H ALA A 61 -2.573 12.525 8.819 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.101 13.852 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.108 12.918 10.106 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.630 11.638 8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.626 11.976 10.395 1.00 0.00 H new ATOM 941 N ARG A 62 -4.590 15.754 9.525 1.00 0.00 N ATOM 942 CA ARG A 62 -4.240 16.928 10.316 1.00 0.00 C ATOM 943 C ARG A 62 -2.768 16.894 10.717 1.00 0.00 C ATOM 944 O ARG A 62 -2.431 17.039 11.891 1.00 0.00 O ATOM 945 CB ARG A 62 -5.119 17.008 11.566 1.00 0.00 C ATOM 946 CG ARG A 62 -5.519 18.426 11.939 1.00 0.00 C ATOM 947 CD ARG A 62 -4.432 19.425 11.578 1.00 0.00 C ATOM 948 NE ARG A 62 -4.611 19.968 10.234 1.00 0.00 N ATOM 949 CZ ARG A 62 -3.822 20.895 9.704 1.00 0.00 C ATOM 950 NH1 ARG A 62 -2.804 21.380 10.400 1.00 0.00 N ATOM 951 NH2 ARG A 62 -4.050 21.338 8.474 1.00 0.00 N ATOM 0 H ARG A 62 -5.310 15.919 8.821 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.411 17.813 9.703 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.020 16.416 11.405 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.587 16.557 12.404 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.443 18.691 11.426 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.722 18.478 13.009 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.434 20.240 12.301 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.458 18.941 11.646 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.385 19.615 9.671 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.625 21.041 11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.199 22.092 9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.832 20.966 7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.443 22.050 8.068 1.00 0.00 H new ATOM 965 N GLY A 63 -1.896 16.702 9.732 1.00 0.00 N ATOM 966 CA GLY A 63 -0.471 16.652 10.002 1.00 0.00 C ATOM 967 C GLY A 63 -0.010 15.272 10.429 1.00 0.00 C ATOM 968 O GLY A 63 0.999 14.767 9.937 1.00 0.00 O ATOM 0 H GLY A 63 -2.151 16.580 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.076 16.954 9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.227 17.371 10.784 1.00 0.00 H new ATOM 972 N LYS A 64 -0.749 14.661 11.348 1.00 0.00 N ATOM 973 CA LYS A 64 -0.412 13.331 11.841 1.00 0.00 C ATOM 974 C LYS A 64 -0.650 12.275 10.767 1.00 0.00 C ATOM 975 O LYS A 64 -1.033 12.595 9.642 1.00 0.00 O ATOM 976 CB LYS A 64 -1.237 13.002 13.087 1.00 0.00 C ATOM 977 CG LYS A 64 -2.552 12.308 12.779 1.00 0.00 C ATOM 978 CD LYS A 64 -3.259 11.862 14.049 1.00 0.00 C ATOM 979 CE LYS A 64 -3.827 13.047 14.815 1.00 0.00 C ATOM 980 NZ LYS A 64 -4.873 13.763 14.033 1.00 0.00 N ATOM 0 H LYS A 64 -1.586 15.066 11.767 1.00 0.00 H new ATOM 0 HA LYS A 64 0.646 13.326 12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.646 12.366 13.747 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.441 13.924 13.631 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.199 12.984 12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.367 11.443 12.142 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.063 11.172 13.796 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.560 11.318 14.684 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.251 12.701 15.757 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.022 13.739 15.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.463 14.327 14.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.419 14.392 13.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.468 13.071 13.535 1.00 0.00 H new ATOM 994 N VAL A 65 -0.422 11.014 11.122 1.00 0.00 N ATOM 995 CA VAL A 65 -0.615 9.911 10.189 1.00 0.00 C ATOM 996 C VAL A 65 -1.565 8.865 10.763 1.00 0.00 C ATOM 997 O VAL A 65 -1.398 8.414 11.896 1.00 0.00 O ATOM 998 CB VAL A 65 0.723 9.234 9.836 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.482 7.939 9.076 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.601 10.179 9.030 1.00 0.00 C ATOM 0 H VAL A 65 -0.104 10.732 12.049 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.050 10.335 9.284 1.00 0.00 H new ATOM 0 HB VAL A 65 1.244 8.992 10.763 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.438 7.475 8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.106 7.259 9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.059 8.153 8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.542 9.685 8.789 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.089 10.454 8.108 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.802 11.077 9.615 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.562 8.483 9.972 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.539 7.489 10.400 1.00 0.00 C ATOM 1012 C LYS A 66 -3.223 6.122 9.800 1.00 0.00 C ATOM 1013 O LYS A 66 -2.246 5.966 9.067 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.950 7.922 9.993 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.622 8.832 11.006 1.00 0.00 C ATOM 1016 CD LYS A 66 -6.384 8.035 12.052 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.438 7.328 13.011 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.131 6.900 14.258 1.00 0.00 N ATOM 0 H LYS A 66 -2.715 8.847 9.031 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.488 7.411 11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.901 8.435 9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.566 7.034 9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.870 9.451 11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.306 9.508 10.492 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.041 8.701 12.612 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.020 7.300 11.559 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.005 6.457 12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.613 7.994 13.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.453 6.422 14.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.522 7.734 14.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.902 6.245 14.019 1.00 0.00 H new ATOM 1032 N HIS A 67 -4.056 5.136 10.114 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.866 3.782 9.604 1.00 0.00 C ATOM 1034 C HIS A 67 -5.169 2.990 9.666 1.00 0.00 C ATOM 1035 O HIS A 67 -5.720 2.767 10.745 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.779 3.062 10.403 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.463 3.776 10.401 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -0.437 3.462 9.534 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -1.007 4.795 11.167 1.00 0.00 C ATOM 1040 CE1 HIS A 67 0.592 4.256 9.768 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.272 5.074 10.754 1.00 0.00 N ATOM 0 H HIS A 67 -4.869 5.248 10.719 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.554 3.853 8.562 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -3.116 2.941 11.433 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.641 2.061 9.993 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.549 5.295 11.956 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.535 4.239 9.242 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.877 5.796 11.145 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.655 2.570 8.504 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.894 1.804 8.426 1.00 0.00 C ATOM 1052 C CYS A 68 -6.613 0.350 8.063 1.00 0.00 C ATOM 1053 O CYS A 68 -6.669 -0.030 6.893 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.839 2.426 7.396 1.00 0.00 C ATOM 1055 SG CYS A 68 -8.796 3.825 8.024 1.00 0.00 S ATOM 0 H CYS A 68 -5.211 2.747 7.603 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.369 1.829 9.407 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.256 2.755 6.536 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.527 1.659 7.040 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.563 4.284 7.080 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.308 -0.459 9.073 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.015 -1.871 8.859 1.00 0.00 C ATOM 1063 C ARG A 69 -7.002 -2.488 7.873 1.00 0.00 C ATOM 1064 O ARG A 69 -8.192 -2.175 7.893 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.062 -2.630 10.187 1.00 0.00 C ATOM 1066 CG ARG A 69 -5.585 -4.069 10.082 1.00 0.00 C ATOM 1067 CD ARG A 69 -6.721 -5.007 9.708 1.00 0.00 C ATOM 1068 NE ARG A 69 -7.522 -5.388 10.869 1.00 0.00 N ATOM 1069 CZ ARG A 69 -8.636 -4.762 11.230 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -9.080 -3.731 10.524 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -9.309 -5.167 12.300 1.00 0.00 N ATOM 0 H ARG A 69 -6.257 -0.161 10.047 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.012 -1.949 8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.448 -2.105 10.918 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.084 -2.621 10.565 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.794 -4.138 9.335 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.153 -4.380 11.033 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.361 -4.525 8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.312 -5.903 9.240 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.208 -6.178 11.433 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.565 -3.417 9.701 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.936 -3.252 10.804 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.971 -5.960 12.846 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.165 -4.686 12.577 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.498 -3.366 7.011 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.336 -4.027 6.018 1.00 0.00 C ATOM 1087 C ILE A 70 -7.327 -5.539 6.211 1.00 0.00 C ATOM 1088 O ILE A 70 -6.282 -6.137 6.465 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.874 -3.700 4.585 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.771 -2.186 4.392 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.832 -4.305 3.570 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.805 -1.781 3.301 1.00 0.00 C ATOM 0 H ILE A 70 -5.515 -3.635 6.981 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.350 -3.651 6.159 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.887 -4.135 4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.759 -1.790 4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.459 -1.728 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.493 -4.066 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.860 -5.387 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.831 -3.896 3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.783 -0.694 3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.807 -2.147 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.128 -2.209 2.352 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.499 -6.153 6.086 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.627 -7.597 6.245 1.00 0.00 C ATOM 1106 C ASN A 71 -9.051 -8.254 4.935 1.00 0.00 C ATOM 1107 O ASN A 71 -9.447 -7.574 3.988 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.640 -7.923 7.344 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.247 -7.335 8.685 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -9.365 -6.130 8.906 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -8.778 -8.187 9.590 1.00 0.00 N ATOM 0 H ASN A 71 -9.374 -5.673 5.875 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.652 -7.993 6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.620 -7.542 7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.734 -9.005 7.438 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.499 -7.850 10.511 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.697 -9.178 9.364 1.00 0.00 H new ATOM 1118 N ARG A 72 -8.967 -9.579 4.889 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.342 -10.327 3.695 1.00 0.00 C ATOM 1120 C ARG A 72 -10.508 -11.267 3.986 1.00 0.00 C ATOM 1121 O ARG A 72 -10.594 -11.850 5.067 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.147 -11.128 3.173 1.00 0.00 C ATOM 1123 CG ARG A 72 -7.064 -10.266 2.544 1.00 0.00 C ATOM 1124 CD ARG A 72 -6.306 -11.023 1.465 1.00 0.00 C ATOM 1125 NE ARG A 72 -5.571 -12.161 2.009 1.00 0.00 N ATOM 1126 CZ ARG A 72 -5.134 -13.175 1.270 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -5.357 -13.191 -0.037 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -4.472 -14.174 1.838 1.00 0.00 N ATOM 0 H ARG A 72 -8.643 -10.157 5.664 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.654 -9.613 2.933 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.714 -11.697 3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.498 -11.850 2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.514 -9.371 2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.368 -9.935 3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.007 -11.373 0.707 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.611 -10.347 0.968 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.383 -12.179 3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.865 -12.424 -0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.021 -13.971 -0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.298 -14.164 2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.137 -14.952 1.270 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.404 -11.407 3.016 1.00 0.00 N ATOM 1143 CA ASP A 73 -12.566 -12.276 3.167 1.00 0.00 C ATOM 1144 C ASP A 73 -12.643 -13.285 2.026 1.00 0.00 C ATOM 1145 O ASP A 73 -13.710 -13.518 1.460 1.00 0.00 O ATOM 1146 CB ASP A 73 -13.848 -11.444 3.216 1.00 0.00 C ATOM 1147 CG ASP A 73 -14.989 -12.178 3.894 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -15.665 -12.979 3.216 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -15.206 -11.950 5.103 1.00 0.00 O ATOM 0 H ASP A 73 -11.349 -10.930 2.116 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.460 -12.823 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.653 -10.512 3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.143 -11.177 2.201 1.00 0.00 H new ATOM 1154 N GLY A 74 -11.502 -13.880 1.691 1.00 0.00 N ATOM 1155 CA GLY A 74 -11.462 -14.856 0.618 1.00 0.00 C ATOM 1156 C GLY A 74 -11.356 -14.210 -0.750 1.00 0.00 C ATOM 1157 O GLY A 74 -12.300 -13.573 -1.217 1.00 0.00 O ATOM 0 H GLY A 74 -10.605 -13.703 2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.613 -15.522 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.361 -15.471 0.657 1.00 0.00 H new ATOM 1161 N ARG A 75 -10.204 -14.373 -1.392 1.00 0.00 N ATOM 1162 CA ARG A 75 -9.978 -13.798 -2.713 1.00 0.00 C ATOM 1163 C ARG A 75 -10.636 -12.427 -2.829 1.00 0.00 C ATOM 1164 O ARG A 75 -11.053 -12.016 -3.913 1.00 0.00 O ATOM 1165 CB ARG A 75 -10.520 -14.730 -3.798 1.00 0.00 C ATOM 1166 CG ARG A 75 -12.002 -15.037 -3.652 1.00 0.00 C ATOM 1167 CD ARG A 75 -12.553 -15.724 -4.892 1.00 0.00 C ATOM 1168 NE ARG A 75 -12.333 -17.168 -4.861 1.00 0.00 N ATOM 1169 CZ ARG A 75 -12.721 -17.991 -5.828 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -13.344 -17.516 -6.898 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -12.485 -19.293 -5.728 1.00 0.00 N ATOM 0 H ARG A 75 -9.413 -14.898 -1.019 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.903 -13.678 -2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.346 -14.278 -4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.960 -15.665 -3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.159 -15.674 -2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.550 -14.112 -3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.621 -15.522 -4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.080 -15.304 -5.780 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.855 -17.566 -4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.526 -16.516 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.641 -18.151 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.005 -19.663 -4.907 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.784 -19.924 -6.472 1.00 0.00 H new ATOM 1185 N HIS A 76 -10.728 -11.723 -1.705 1.00 0.00 N ATOM 1186 CA HIS A 76 -11.336 -10.397 -1.681 1.00 0.00 C ATOM 1187 C HIS A 76 -10.736 -9.545 -0.566 1.00 0.00 C ATOM 1188 O HIS A 76 -10.132 -10.066 0.371 1.00 0.00 O ATOM 1189 CB HIS A 76 -12.849 -10.511 -1.494 1.00 0.00 C ATOM 1190 CG HIS A 76 -13.572 -10.971 -2.722 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -13.315 -10.754 -4.034 1.00 0.00 N flip ATOM 1192 CD2 HIS A 76 -14.707 -11.752 -2.680 1.00 0.00 C flip ATOM 1193 CE1 HIS A 76 -14.289 -11.403 -4.752 1.00 0.00 C flip ATOM 1194 NE2 HIS A 76 -15.117 -11.997 -3.911 1.00 0.00 N flip ATOM 0 H HIS A 76 -10.390 -12.048 -0.799 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.131 -9.912 -2.635 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -13.055 -11.206 -0.680 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -13.244 -9.541 -1.192 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -15.186 -12.108 -1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -14.366 -11.424 -5.829 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.934 -12.551 -4.169 1.00 0.00 H new ATOM 1203 N PHE A 77 -10.907 -8.232 -0.675 1.00 0.00 N ATOM 1204 CA PHE A 77 -10.381 -7.307 0.322 1.00 0.00 C ATOM 1205 C PHE A 77 -11.514 -6.568 1.029 1.00 0.00 C ATOM 1206 O PHE A 77 -12.481 -6.141 0.398 1.00 0.00 O ATOM 1207 CB PHE A 77 -9.432 -6.301 -0.334 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.156 -6.918 -0.832 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -7.215 -7.408 0.059 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.899 -7.008 -2.190 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -6.039 -7.975 -0.397 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.725 -7.575 -2.652 1.00 0.00 C ATOM 1213 CZ PHE A 77 -5.795 -8.060 -1.753 1.00 0.00 C ATOM 0 H PHE A 77 -11.406 -7.784 -1.444 1.00 0.00 H new ATOM 0 HA PHE A 77 -9.830 -7.886 1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.944 -5.821 -1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.191 -5.518 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.402 -7.347 1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.624 -6.631 -2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.312 -8.351 0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.536 -7.638 -3.713 1.00 0.00 H new ATOM 0 HZ PHE A 77 -4.878 -8.505 -2.111 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.386 -6.421 2.344 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.398 -5.734 3.138 1.00 0.00 C ATOM 1225 C VAL A 78 -11.783 -4.596 3.945 1.00 0.00 C ATOM 1226 O VAL A 78 -10.877 -4.811 4.752 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.111 -6.703 4.099 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.180 -5.974 4.898 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -13.712 -7.870 3.330 1.00 0.00 C ATOM 0 H VAL A 78 -10.592 -6.768 2.882 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.127 -5.327 2.438 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.375 -7.099 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.673 -6.675 5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.719 -5.176 5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.916 -5.547 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.212 -8.545 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.435 -7.495 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.921 -8.408 2.808 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.281 -3.385 3.723 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.781 -2.211 4.430 1.00 0.00 C ATOM 1241 C LEU A 79 -12.302 -2.176 5.863 1.00 0.00 C ATOM 1242 O LEU A 79 -11.526 -2.211 6.817 1.00 0.00 O ATOM 1243 CB LEU A 79 -12.193 -0.934 3.694 1.00 0.00 C ATOM 1244 CG LEU A 79 -11.445 0.340 4.090 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -11.581 0.596 5.583 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -9.979 0.242 3.695 1.00 0.00 C ATOM 0 H LEU A 79 -13.030 -3.190 3.059 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.693 -2.271 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.056 -1.094 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.258 -0.772 3.858 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.889 1.180 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.043 1.506 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.635 0.711 5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.163 -0.245 6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.462 1.157 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.522 -0.608 4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.901 0.107 2.616 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.622 -2.108 6.006 1.00 0.00 N ATOM 1259 CA GLY A 80 -14.224 -2.071 7.326 1.00 0.00 C ATOM 1260 C GLY A 80 -15.534 -2.832 7.387 1.00 0.00 C ATOM 1261 O GLY A 80 -15.550 -4.036 7.646 1.00 0.00 O ATOM 0 H GLY A 80 -14.285 -2.078 5.232 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.528 -2.493 8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.396 -1.034 7.615 1.00 0.00 H new ATOM 1265 N THR A 81 -16.636 -2.128 7.151 1.00 0.00 N ATOM 1266 CA THR A 81 -17.957 -2.743 7.183 1.00 0.00 C ATOM 1267 C THR A 81 -18.684 -2.555 5.856 1.00 0.00 C ATOM 1268 O THR A 81 -18.870 -1.430 5.393 1.00 0.00 O ATOM 1269 CB THR A 81 -18.822 -2.159 8.316 1.00 0.00 C ATOM 1270 OG1 THR A 81 -18.870 -0.732 8.209 1.00 0.00 O ATOM 1271 CG2 THR A 81 -18.268 -2.552 9.677 1.00 0.00 C ATOM 0 H THR A 81 -16.640 -1.131 6.935 1.00 0.00 H new ATOM 0 HA THR A 81 -17.805 -3.807 7.363 1.00 0.00 H new ATOM 0 HB THR A 81 -19.829 -2.564 8.221 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.820 -0.473 7.265 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.895 -2.128 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 81 -18.259 -3.638 9.766 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.252 -2.172 9.780 1.00 0.00 H new ATOM 1279 N SER A 82 -19.093 -3.664 5.248 1.00 0.00 N ATOM 1280 CA SER A 82 -19.797 -3.621 3.972 1.00 0.00 C ATOM 1281 C SER A 82 -18.920 -3.001 2.888 1.00 0.00 C ATOM 1282 O SER A 82 -19.361 -2.126 2.143 1.00 0.00 O ATOM 1283 CB SER A 82 -21.097 -2.826 4.109 1.00 0.00 C ATOM 1284 OG SER A 82 -22.050 -3.236 3.143 1.00 0.00 O ATOM 0 H SER A 82 -18.949 -4.603 5.619 1.00 0.00 H new ATOM 0 HA SER A 82 -20.034 -4.644 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 82 -21.507 -2.963 5.110 1.00 0.00 H new ATOM 0 HB3 SER A 82 -20.890 -1.762 3.992 1.00 0.00 H new ATOM 0 HG SER A 82 -22.872 -2.714 3.253 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.676 -3.462 2.807 1.00 0.00 N ATOM 1291 CA ALA A 83 -16.737 -2.955 1.815 1.00 0.00 C ATOM 1292 C ALA A 83 -16.035 -4.098 1.089 1.00 0.00 C ATOM 1293 O ALA A 83 -15.056 -4.654 1.588 1.00 0.00 O ATOM 1294 CB ALA A 83 -15.716 -2.039 2.473 1.00 0.00 C ATOM 0 H ALA A 83 -17.296 -4.186 3.417 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.300 -2.382 1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.021 -1.668 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.229 -1.198 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.165 -2.594 3.232 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.541 -4.444 -0.089 1.00 0.00 N ATOM 1301 CA TYR A 84 -15.964 -5.524 -0.881 1.00 0.00 C ATOM 1302 C TYR A 84 -15.375 -4.989 -2.183 1.00 0.00 C ATOM 1303 O TYR A 84 -16.027 -4.240 -2.911 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.023 -6.584 -1.185 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.141 -7.647 -0.115 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -17.740 -7.366 1.107 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -16.655 -8.931 -0.327 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -17.849 -8.334 2.087 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -16.761 -9.905 0.647 1.00 0.00 C ATOM 1310 CZ TYR A 84 -17.358 -9.601 1.852 1.00 0.00 C ATOM 1311 OH TYR A 84 -17.466 -10.568 2.826 1.00 0.00 O ATOM 0 H TYR A 84 -17.349 -3.993 -0.517 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.162 -5.978 -0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -17.989 -6.095 -1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.784 -7.062 -2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -18.127 -6.375 1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.186 -9.172 -1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.316 -8.100 3.032 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.379 -10.899 0.466 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.086 -11.409 2.496 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.138 -5.381 -2.471 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.460 -4.942 -3.684 1.00 0.00 C ATOM 1323 C PHE A 85 -12.583 -6.055 -4.250 1.00 0.00 C ATOM 1324 O PHE A 85 -11.667 -6.537 -3.583 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.610 -3.702 -3.399 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.413 -2.516 -2.948 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -13.946 -1.632 -3.873 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -13.634 -2.284 -1.600 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.685 -0.539 -3.460 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.373 -1.193 -1.182 1.00 0.00 C ATOM 1331 CZ PHE A 85 -14.899 -0.320 -2.114 1.00 0.00 C ATOM 0 H PHE A 85 -13.585 -6.002 -1.880 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.220 -4.690 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.873 -3.944 -2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.057 -3.435 -4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.782 -1.799 -4.927 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.224 -2.963 -0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.095 0.143 -4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.539 -1.024 -0.128 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.477 0.533 -1.790 1.00 0.00 H new ATOM 1341 N GLU A 86 -12.870 -6.458 -5.484 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.108 -7.515 -6.138 1.00 0.00 C ATOM 1343 C GLU A 86 -10.609 -7.289 -5.970 1.00 0.00 C ATOM 1344 O GLU A 86 -9.846 -8.234 -5.769 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.461 -7.583 -7.625 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.116 -8.913 -8.273 1.00 0.00 C ATOM 1347 CD GLU A 86 -10.684 -8.965 -8.770 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -9.787 -9.291 -7.964 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -10.460 -8.679 -9.965 1.00 0.00 O ATOM 0 H GLU A 86 -13.624 -6.069 -6.050 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.370 -8.462 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.528 -7.396 -7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.936 -6.785 -8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.276 -9.716 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.793 -9.093 -9.108 1.00 0.00 H new ATOM 1356 N SER A 87 -10.193 -6.029 -6.055 1.00 0.00 N ATOM 1357 CA SER A 87 -8.784 -5.678 -5.916 1.00 0.00 C ATOM 1358 C SER A 87 -8.628 -4.306 -5.267 1.00 0.00 C ATOM 1359 O SER A 87 -9.456 -3.416 -5.463 1.00 0.00 O ATOM 1360 CB SER A 87 -8.098 -5.689 -7.283 1.00 0.00 C ATOM 1361 OG SER A 87 -7.579 -6.974 -7.583 1.00 0.00 O ATOM 0 H SER A 87 -10.811 -5.235 -6.219 1.00 0.00 H new ATOM 0 HA SER A 87 -8.311 -6.421 -5.273 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.810 -5.392 -8.053 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.292 -4.956 -7.295 1.00 0.00 H new ATOM 0 HG SER A 87 -8.319 -7.604 -7.711 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.560 -4.143 -4.495 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.292 -2.880 -3.816 1.00 0.00 C ATOM 1369 C LEU A 88 -7.509 -1.699 -4.757 1.00 0.00 C ATOM 1370 O LEU A 88 -7.939 -0.625 -4.334 1.00 0.00 O ATOM 1371 CB LEU A 88 -5.861 -2.861 -3.277 1.00 0.00 C ATOM 1372 CG LEU A 88 -5.574 -3.794 -2.101 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.076 -3.915 -1.868 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.273 -3.298 -0.843 1.00 0.00 C ATOM 0 H LEU A 88 -6.865 -4.870 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.988 -2.790 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.184 -3.117 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.622 -1.842 -2.973 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.964 -4.783 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.891 -4.583 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.600 -4.317 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.661 -2.931 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.057 -3.975 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.914 -2.299 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.349 -3.265 -1.014 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.212 -1.906 -6.036 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.378 -0.860 -7.038 1.00 0.00 C ATOM 1388 C VAL A 89 -8.771 -0.246 -6.967 1.00 0.00 C ATOM 1389 O VAL A 89 -8.919 0.964 -6.799 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.140 -1.402 -8.460 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.452 -0.335 -9.498 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.709 -1.899 -8.608 1.00 0.00 C ATOM 0 H VAL A 89 -6.855 -2.788 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.635 -0.093 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.812 -2.244 -8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.278 -0.737 -10.496 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.495 -0.032 -9.406 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.807 0.529 -9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.558 -2.278 -9.619 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.017 -1.077 -8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.525 -2.698 -7.889 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.791 -1.090 -7.095 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.173 -0.629 -7.045 1.00 0.00 C ATOM 1404 C GLU A 90 -11.450 0.123 -5.746 1.00 0.00 C ATOM 1405 O GLU A 90 -12.077 1.183 -5.751 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.134 -1.813 -7.176 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.316 -2.293 -8.606 1.00 0.00 C ATOM 1408 CD GLU A 90 -13.393 -1.525 -9.347 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -14.274 -0.945 -8.679 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -13.354 -1.504 -10.595 1.00 0.00 O ATOM 0 H GLU A 90 -9.686 -2.095 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.331 0.053 -7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.764 -2.639 -6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.105 -1.529 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.372 -2.195 -9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.570 -3.353 -8.600 1.00 0.00 H new ATOM 1417 N LEU A 91 -10.979 -0.434 -4.636 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.175 0.182 -3.328 1.00 0.00 C ATOM 1419 C LEU A 91 -10.450 1.522 -3.243 1.00 0.00 C ATOM 1420 O LEU A 91 -10.804 2.381 -2.436 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.678 -0.751 -2.223 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.941 -0.292 -0.788 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -11.109 -1.490 0.133 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -9.814 0.606 -0.300 1.00 0.00 C ATOM 0 H LEU A 91 -10.459 -1.311 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.242 0.358 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.144 -1.727 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.604 -0.890 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.867 0.283 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.295 -1.144 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.951 -2.094 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.201 -2.093 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.018 0.923 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.873 0.057 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.742 1.483 -0.944 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.435 1.694 -4.084 1.00 0.00 N ATOM 1437 CA VAL A 92 -8.662 2.930 -4.106 1.00 0.00 C ATOM 1438 C VAL A 92 -9.432 4.047 -4.802 1.00 0.00 C ATOM 1439 O VAL A 92 -9.388 5.202 -4.379 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.310 2.733 -4.817 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -6.601 4.067 -4.996 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.438 1.757 -4.042 1.00 0.00 C ATOM 0 H VAL A 92 -9.129 0.993 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.481 3.209 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.497 2.313 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.648 3.908 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.222 4.732 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.424 4.519 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.487 1.630 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.258 2.147 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.944 0.794 -3.971 1.00 0.00 H new ATOM 1452 N SER A 93 -10.138 3.694 -5.872 1.00 0.00 N ATOM 1453 CA SER A 93 -10.916 4.668 -6.630 1.00 0.00 C ATOM 1454 C SER A 93 -12.251 4.947 -5.945 1.00 0.00 C ATOM 1455 O SER A 93 -12.629 6.101 -5.745 1.00 0.00 O ATOM 1456 CB SER A 93 -11.155 4.163 -8.054 1.00 0.00 C ATOM 1457 OG SER A 93 -11.676 2.846 -8.048 1.00 0.00 O ATOM 0 H SER A 93 -10.187 2.741 -6.233 1.00 0.00 H new ATOM 0 HA SER A 93 -10.348 5.598 -6.673 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.848 4.829 -8.568 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.219 4.185 -8.613 1.00 0.00 H new ATOM 0 HG SER A 93 -11.821 2.547 -8.970 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.960 3.881 -5.589 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.254 4.010 -4.930 1.00 0.00 C ATOM 1465 C TYR A 94 -14.185 5.019 -3.788 1.00 0.00 C ATOM 1466 O TYR A 94 -15.170 5.690 -3.477 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.716 2.652 -4.399 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.088 2.686 -3.765 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -16.259 3.112 -2.453 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -17.214 2.291 -4.477 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -17.510 3.143 -1.869 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.470 2.321 -3.901 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.613 2.747 -2.597 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.862 2.777 -2.020 1.00 0.00 O ATOM 0 H TYR A 94 -12.660 2.919 -5.746 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.974 4.369 -5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.721 1.933 -5.218 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -13.994 2.293 -3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.398 3.424 -1.880 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -17.106 1.955 -5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -17.624 3.475 -0.848 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.335 2.012 -4.469 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.529 2.468 -2.668 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.015 5.121 -3.167 1.00 0.00 N ATOM 1485 CA TYR A 95 -12.817 6.047 -2.058 1.00 0.00 C ATOM 1486 C TYR A 95 -12.273 7.383 -2.554 1.00 0.00 C ATOM 1487 O TYR A 95 -12.446 8.414 -1.905 1.00 0.00 O ATOM 1488 CB TYR A 95 -11.859 5.444 -1.029 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.551 4.624 0.036 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.539 5.182 0.838 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -12.217 3.291 0.240 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -14.174 4.437 1.812 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -12.848 2.537 1.211 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.826 3.115 1.995 1.00 0.00 C ATOM 1495 OH TYR A 95 -14.455 2.368 2.964 1.00 0.00 O ATOM 0 H TYR A 95 -12.190 4.574 -3.413 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.784 6.222 -1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.134 4.815 -1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.300 6.248 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.815 6.217 0.697 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.451 2.836 -0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -14.939 4.887 2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.578 1.501 1.356 1.00 0.00 H new ATOM 0 HH TYR A 95 -14.093 1.457 2.961 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.616 7.355 -3.709 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.047 8.564 -4.293 1.00 0.00 C ATOM 1507 C GLU A 96 -12.121 9.630 -4.492 1.00 0.00 C ATOM 1508 O GLU A 96 -11.816 10.806 -4.694 1.00 0.00 O ATOM 1509 CB GLU A 96 -10.376 8.245 -5.631 1.00 0.00 C ATOM 1510 CG GLU A 96 -8.915 7.849 -5.500 1.00 0.00 C ATOM 1511 CD GLU A 96 -7.981 9.042 -5.551 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -8.302 10.016 -6.264 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -6.929 9.003 -4.880 1.00 0.00 O ATOM 0 H GLU A 96 -11.465 6.509 -4.259 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.298 8.952 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.921 7.436 -6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.451 9.116 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.769 7.318 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.657 7.156 -6.301 1.00 0.00 H new ATOM 1520 N LYS A 97 -13.380 9.211 -4.434 1.00 0.00 N ATOM 1521 CA LYS A 97 -14.501 10.127 -4.606 1.00 0.00 C ATOM 1522 C LYS A 97 -15.224 10.357 -3.283 1.00 0.00 C ATOM 1523 O LYS A 97 -15.672 11.467 -2.993 1.00 0.00 O ATOM 1524 CB LYS A 97 -15.480 9.577 -5.646 1.00 0.00 C ATOM 1525 CG LYS A 97 -15.019 9.775 -7.080 1.00 0.00 C ATOM 1526 CD LYS A 97 -15.414 11.143 -7.609 1.00 0.00 C ATOM 1527 CE LYS A 97 -14.768 11.427 -8.957 1.00 0.00 C ATOM 1528 NZ LYS A 97 -15.415 10.657 -10.055 1.00 0.00 N ATOM 0 H LYS A 97 -13.650 8.241 -4.269 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.108 11.082 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.629 8.513 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.447 10.062 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.936 9.662 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.452 9.000 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.498 11.198 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.118 11.910 -6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.833 12.493 -9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.708 11.175 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.947 10.878 -10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.331 9.639 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.421 10.916 -10.115 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.334 9.301 -2.482 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.002 9.390 -1.188 1.00 0.00 C ATOM 1544 C HIS A 98 -14.983 9.502 -0.058 1.00 0.00 C ATOM 1545 O HIS A 98 -14.007 8.754 -0.013 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.894 8.168 -0.967 1.00 0.00 C ATOM 1547 CG HIS A 98 -17.820 7.887 -2.110 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -18.170 6.612 -2.499 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -18.471 8.727 -2.948 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -18.995 6.679 -3.529 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -19.194 7.951 -3.821 1.00 0.00 N ATOM 0 H HIS A 98 -14.970 8.375 -2.706 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.621 10.287 -1.186 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.264 7.295 -0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.483 8.317 -0.062 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -17.843 5.751 -2.060 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.430 9.806 -2.933 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -19.432 5.837 -4.044 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.217 10.442 0.852 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.321 10.651 1.982 1.00 0.00 C ATOM 1562 C ALA A 99 -14.044 9.342 2.713 1.00 0.00 C ATOM 1563 O ALA A 99 -14.967 8.665 3.167 1.00 0.00 O ATOM 1564 CB ALA A 99 -14.909 11.678 2.939 1.00 0.00 C ATOM 0 H ALA A 99 -16.020 11.071 0.828 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.374 11.029 1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.229 11.824 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.049 12.624 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.871 11.322 3.309 1.00 0.00 H new ATOM 1570 N LEU A 100 -12.768 8.989 2.822 1.00 0.00 N ATOM 1571 CA LEU A 100 -12.369 7.759 3.498 1.00 0.00 C ATOM 1572 C LEU A 100 -12.133 8.007 4.984 1.00 0.00 C ATOM 1573 O LEU A 100 -12.377 7.132 5.816 1.00 0.00 O ATOM 1574 CB LEU A 100 -11.102 7.190 2.857 1.00 0.00 C ATOM 1575 CG LEU A 100 -10.249 6.285 3.746 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -10.931 4.941 3.950 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.864 6.096 3.142 1.00 0.00 C ATOM 0 H LEU A 100 -11.992 9.537 2.451 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.178 7.036 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.389 6.627 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.484 8.022 2.520 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.137 6.764 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.309 4.310 4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.900 5.093 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.074 4.455 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.270 5.449 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.956 5.639 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.373 7.064 3.048 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.660 9.204 5.312 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.391 9.566 6.698 1.00 0.00 C ATOM 1591 C TYR A 101 -12.204 10.790 7.109 1.00 0.00 C ATOM 1592 O TYR A 101 -12.771 11.484 6.265 1.00 0.00 O ATOM 1593 CB TYR A 101 -9.899 9.841 6.896 1.00 0.00 C ATOM 1594 CG TYR A 101 -9.510 10.059 8.340 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -9.317 8.984 9.199 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.333 11.341 8.847 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -8.962 9.179 10.519 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -8.977 11.545 10.165 1.00 0.00 C ATOM 1599 CZ TYR A 101 -8.793 10.461 10.998 1.00 0.00 C ATOM 1600 OH TYR A 101 -8.438 10.659 12.313 1.00 0.00 O ATOM 0 H TYR A 101 -11.455 9.940 4.637 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.686 8.728 7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -9.328 9.003 6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.620 10.721 6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -9.447 7.978 8.828 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -9.477 12.193 8.198 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.817 8.332 11.173 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.843 12.548 10.542 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.359 11.620 12.489 1.00 0.00 H new ATOM 1610 N ARG A 102 -12.255 11.049 8.411 1.00 0.00 N ATOM 1611 CA ARG A 102 -12.998 12.188 8.936 1.00 0.00 C ATOM 1612 C ARG A 102 -12.536 13.487 8.281 1.00 0.00 C ATOM 1613 O ARG A 102 -11.428 13.961 8.533 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.829 12.280 10.453 1.00 0.00 C ATOM 1615 CG ARG A 102 -13.712 13.333 11.102 1.00 0.00 C ATOM 1616 CD ARG A 102 -13.031 14.692 11.130 1.00 0.00 C ATOM 1617 NE ARG A 102 -13.937 15.750 11.569 1.00 0.00 N ATOM 1618 CZ ARG A 102 -13.545 16.992 11.829 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -12.270 17.331 11.695 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -14.429 17.899 12.225 1.00 0.00 N ATOM 0 H ARG A 102 -11.790 10.485 9.122 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.053 12.040 8.704 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -13.052 11.309 10.894 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.786 12.502 10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.652 13.407 10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.957 13.027 12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.170 14.652 11.797 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.653 14.928 10.135 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.925 15.523 11.682 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.587 16.637 11.391 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.972 18.286 11.896 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.411 17.643 12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.127 18.853 12.424 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.391 14.057 7.440 1.00 0.00 N ATOM 1635 CA LYS A 103 -13.072 15.301 6.750 1.00 0.00 C ATOM 1636 C LYS A 103 -11.783 15.162 5.947 1.00 0.00 C ATOM 1637 O LYS A 103 -10.862 15.965 6.091 1.00 0.00 O ATOM 1638 CB LYS A 103 -12.939 16.447 7.755 1.00 0.00 C ATOM 1639 CG LYS A 103 -14.204 16.705 8.554 1.00 0.00 C ATOM 1640 CD LYS A 103 -15.252 17.424 7.722 1.00 0.00 C ATOM 1641 CE LYS A 103 -16.535 17.644 8.510 1.00 0.00 C ATOM 1642 NZ LYS A 103 -17.439 16.462 8.438 1.00 0.00 N ATOM 0 H LYS A 103 -14.311 13.677 7.219 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.886 15.524 6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.124 16.223 8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.664 17.357 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.609 15.758 8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -13.964 17.302 9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.858 18.385 7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.469 16.842 6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.290 17.851 9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.053 18.522 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.302 16.651 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.693 16.279 7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.954 15.630 8.830 1.00 0.00 H new ATOM 1656 N MET A 104 -11.725 14.139 5.100 1.00 0.00 N ATOM 1657 CA MET A 104 -10.549 13.898 4.273 1.00 0.00 C ATOM 1658 C MET A 104 -10.809 12.776 3.273 1.00 0.00 C ATOM 1659 O MET A 104 -11.565 11.846 3.552 1.00 0.00 O ATOM 1660 CB MET A 104 -9.345 13.547 5.150 1.00 0.00 C ATOM 1661 CG MET A 104 -8.054 13.370 4.367 1.00 0.00 C ATOM 1662 SD MET A 104 -6.913 12.222 5.160 1.00 0.00 S ATOM 1663 CE MET A 104 -6.904 10.879 3.974 1.00 0.00 C ATOM 0 H MET A 104 -12.479 13.464 4.969 1.00 0.00 H new ATOM 0 HA MET A 104 -10.331 14.811 3.719 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.205 14.333 5.892 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.559 12.628 5.695 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.288 13.010 3.365 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.568 14.339 4.252 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.286 9.974 4.446 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.536 11.139 3.125 1.00 0.00 H new ATOM 0 HE3 MET A 104 -5.885 10.706 3.628 1.00 0.00 H new ATOM 1673 N ARG A 105 -10.177 12.869 2.107 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.342 11.863 1.066 1.00 0.00 C ATOM 1675 C ARG A 105 -9.076 11.740 0.223 1.00 0.00 C ATOM 1676 O ARG A 105 -8.326 12.705 0.065 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.531 12.214 0.171 1.00 0.00 C ATOM 1678 CG ARG A 105 -11.204 13.237 -0.904 1.00 0.00 C ATOM 1679 CD ARG A 105 -12.438 13.617 -1.706 1.00 0.00 C ATOM 1680 NE ARG A 105 -12.329 14.957 -2.278 1.00 0.00 N ATOM 1681 CZ ARG A 105 -11.669 15.225 -3.399 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -11.063 14.252 -4.065 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -11.614 16.470 -3.856 1.00 0.00 N ATOM 0 H ARG A 105 -9.546 13.631 1.860 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.531 10.904 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.898 11.304 -0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.341 12.598 0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.780 14.129 -0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.444 12.833 -1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.587 12.892 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.317 13.568 -1.063 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.784 15.728 -1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.103 13.294 -3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.557 14.461 -4.926 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -12.079 17.221 -3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -11.107 16.675 -4.717 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.843 10.549 -0.316 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.667 10.300 -1.143 1.00 0.00 C ATOM 1699 C LEU A 106 -7.562 11.329 -2.265 1.00 0.00 C ATOM 1700 O LEU A 106 -8.462 11.449 -3.096 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.724 8.890 -1.733 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.121 7.773 -0.767 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -7.772 6.413 -1.350 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -7.442 7.968 0.581 1.00 0.00 C ATOM 0 H LEU A 106 -9.453 9.740 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.783 10.388 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.431 8.893 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.745 8.652 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.200 7.815 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.062 5.631 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.305 6.273 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.698 6.359 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.736 7.164 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.360 7.954 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.743 8.926 1.005 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.457 12.067 -2.282 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.234 13.085 -3.302 1.00 0.00 C ATOM 1718 C ARG A 107 -4.878 12.892 -3.975 1.00 0.00 C ATOM 1719 O ARG A 107 -4.746 13.062 -5.187 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.315 14.482 -2.684 1.00 0.00 C ATOM 1721 CG ARG A 107 -7.686 14.821 -2.123 1.00 0.00 C ATOM 1722 CD ARG A 107 -7.949 16.318 -2.161 1.00 0.00 C ATOM 1723 NE ARG A 107 -8.163 16.803 -3.522 1.00 0.00 N ATOM 1724 CZ ARG A 107 -8.717 17.976 -3.806 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -9.110 18.781 -2.828 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -8.878 18.347 -5.070 1.00 0.00 N ATOM 0 H ARG A 107 -5.702 11.979 -1.601 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.013 12.984 -4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.576 14.561 -1.887 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.048 15.221 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.454 14.301 -2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.758 14.464 -1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.824 16.548 -1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.105 16.846 -1.717 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.871 16.208 -4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.987 18.500 -1.855 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.535 19.682 -3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.576 17.731 -5.825 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.304 19.248 -5.287 1.00 0.00 H new ATOM 1740 N TYR A 108 -3.875 12.537 -3.180 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.528 12.324 -3.698 1.00 0.00 C ATOM 1742 C TYR A 108 -1.963 10.992 -3.214 1.00 0.00 C ATOM 1743 O TYR A 108 -1.449 10.874 -2.101 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.608 13.468 -3.270 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.206 14.840 -3.485 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.524 15.288 -4.761 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.454 15.687 -2.412 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -3.069 16.541 -4.962 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.001 16.941 -2.604 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.306 17.364 -3.881 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.851 18.612 -4.077 1.00 0.00 O ATOM 0 H TYR A 108 -3.969 12.391 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.584 12.300 -4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.362 13.350 -2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.673 13.398 -3.825 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.342 14.646 -5.610 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.215 15.360 -1.411 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.308 16.875 -5.961 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.189 17.587 -1.759 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.955 19.063 -3.213 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.058 9.964 -4.070 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.561 8.622 -3.754 1.00 0.00 C ATOM 1763 C PRO A 109 -0.038 8.565 -3.703 1.00 0.00 C ATOM 1764 O PRO A 109 0.624 8.449 -4.734 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.090 7.767 -4.908 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.267 8.722 -6.037 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.659 10.033 -5.413 1.00 0.00 C ATOM 0 HA PRO A 109 -1.891 8.286 -2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.389 6.974 -5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.032 7.286 -4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.346 8.823 -6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.035 8.373 -6.727 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.275 10.880 -5.982 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.742 10.147 -5.363 1.00 0.00 H new ATOM 1775 N VAL A 110 0.513 8.647 -2.496 1.00 0.00 N ATOM 1776 CA VAL A 110 1.958 8.604 -2.310 1.00 0.00 C ATOM 1777 C VAL A 110 2.617 7.693 -3.340 1.00 0.00 C ATOM 1778 O VAL A 110 2.237 6.532 -3.492 1.00 0.00 O ATOM 1779 CB VAL A 110 2.328 8.114 -0.897 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.837 8.124 -0.707 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.644 8.969 0.159 1.00 0.00 C ATOM 0 H VAL A 110 -0.020 8.744 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 110 2.325 9.622 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 110 1.978 7.088 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.080 7.775 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.301 7.466 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.214 9.138 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.916 8.609 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.962 10.006 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.563 8.906 0.034 1.00 0.00 H new ATOM 1791 N THR A 111 3.608 8.228 -4.047 1.00 0.00 N ATOM 1792 CA THR A 111 4.320 7.465 -5.063 1.00 0.00 C ATOM 1793 C THR A 111 5.825 7.498 -4.822 1.00 0.00 C ATOM 1794 O THR A 111 6.352 8.391 -4.158 1.00 0.00 O ATOM 1795 CB THR A 111 4.026 8.001 -6.477 1.00 0.00 C ATOM 1796 OG1 THR A 111 3.929 9.429 -6.449 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.735 7.410 -7.022 1.00 0.00 C ATOM 0 H THR A 111 3.935 9.187 -3.934 1.00 0.00 H new ATOM 0 HA THR A 111 3.966 6.437 -4.991 1.00 0.00 H new ATOM 0 HB THR A 111 4.846 7.706 -7.131 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.744 9.762 -7.352 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.548 7.803 -8.021 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.823 6.325 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.907 7.678 -6.366 1.00 0.00 H new ATOM 1805 N PRO A 112 6.536 6.504 -5.375 1.00 0.00 N ATOM 1806 CA PRO A 112 7.992 6.398 -5.234 1.00 0.00 C ATOM 1807 C PRO A 112 8.729 7.487 -6.007 1.00 0.00 C ATOM 1808 O PRO A 112 9.934 7.670 -5.841 1.00 0.00 O ATOM 1809 CB PRO A 112 8.306 5.020 -5.821 1.00 0.00 C ATOM 1810 CG PRO A 112 7.191 4.750 -6.772 1.00 0.00 C ATOM 1811 CD PRO A 112 5.974 5.407 -6.180 1.00 0.00 C ATOM 0 HA PRO A 112 8.311 6.518 -4.199 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.270 5.017 -6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.355 4.259 -5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.413 5.156 -7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.035 3.678 -6.896 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.302 5.779 -6.953 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.400 4.712 -5.567 1.00 0.00 H new ATOM 1819 N GLU A 113 7.997 8.206 -6.851 1.00 0.00 N ATOM 1820 CA GLU A 113 8.583 9.277 -7.650 1.00 0.00 C ATOM 1821 C GLU A 113 8.441 10.622 -6.944 1.00 0.00 C ATOM 1822 O GLU A 113 9.283 11.509 -7.098 1.00 0.00 O ATOM 1823 CB GLU A 113 7.919 9.339 -9.027 1.00 0.00 C ATOM 1824 CG GLU A 113 8.354 8.223 -9.963 1.00 0.00 C ATOM 1825 CD GLU A 113 9.822 8.311 -10.332 1.00 0.00 C ATOM 1826 OE1 GLU A 113 10.211 9.304 -10.982 1.00 0.00 O ATOM 1827 OE2 GLU A 113 10.581 7.388 -9.973 1.00 0.00 O ATOM 0 H GLU A 113 6.998 8.067 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 113 9.644 9.062 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 113 6.837 9.296 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.148 10.299 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.159 7.260 -9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 113 7.752 8.260 -10.871 1.00 0.00 H new ATOM 1834 N LEU A 114 7.372 10.767 -6.170 1.00 0.00 N ATOM 1835 CA LEU A 114 7.118 12.005 -5.439 1.00 0.00 C ATOM 1836 C LEU A 114 8.180 12.232 -4.368 1.00 0.00 C ATOM 1837 O LEU A 114 8.775 13.308 -4.287 1.00 0.00 O ATOM 1838 CB LEU A 114 5.730 11.966 -4.798 1.00 0.00 C ATOM 1839 CG LEU A 114 5.261 13.260 -4.133 1.00 0.00 C ATOM 1840 CD1 LEU A 114 4.525 14.138 -5.132 1.00 0.00 C ATOM 1841 CD2 LEU A 114 4.374 12.954 -2.935 1.00 0.00 C ATOM 0 H LEU A 114 6.667 10.043 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 114 7.161 12.832 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.005 11.692 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.719 11.172 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 114 6.138 13.802 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.199 15.054 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.191 14.387 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.656 13.603 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.050 13.887 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.502 12.389 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.934 12.366 -2.208 1.00 0.00 H new ATOM 1853 N LEU A 115 8.414 11.213 -3.549 1.00 0.00 N ATOM 1854 CA LEU A 115 9.406 11.301 -2.483 1.00 0.00 C ATOM 1855 C LEU A 115 10.686 11.962 -2.984 1.00 0.00 C ATOM 1856 O LEU A 115 11.209 12.880 -2.354 1.00 0.00 O ATOM 1857 CB LEU A 115 9.719 9.907 -1.935 1.00 0.00 C ATOM 1858 CG LEU A 115 8.797 9.399 -0.826 1.00 0.00 C ATOM 1859 CD1 LEU A 115 9.044 10.164 0.465 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.340 9.518 -1.248 1.00 0.00 C ATOM 0 H LEU A 115 7.931 10.316 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 115 8.991 11.915 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.685 9.197 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.742 9.908 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 115 9.018 8.347 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.379 9.789 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.080 10.028 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.850 11.224 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.698 9.152 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.105 10.562 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.172 8.925 -2.147 1.00 0.00 H new ATOM 1872 N GLU A 116 11.184 11.489 -4.123 1.00 0.00 N ATOM 1873 CA GLU A 116 12.402 12.036 -4.709 1.00 0.00 C ATOM 1874 C GLU A 116 12.176 13.463 -5.202 1.00 0.00 C ATOM 1875 O GLU A 116 13.093 14.284 -5.200 1.00 0.00 O ATOM 1876 CB GLU A 116 12.879 11.155 -5.865 1.00 0.00 C ATOM 1877 CG GLU A 116 13.361 9.783 -5.425 1.00 0.00 C ATOM 1878 CD GLU A 116 13.995 8.997 -6.557 1.00 0.00 C ATOM 1879 OE1 GLU A 116 14.886 9.548 -7.237 1.00 0.00 O ATOM 1880 OE2 GLU A 116 13.600 7.830 -6.762 1.00 0.00 O ATOM 0 H GLU A 116 10.763 10.729 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 116 13.170 12.055 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.064 11.033 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.688 11.664 -6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.084 9.898 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.520 9.219 -5.022 1.00 0.00 H new ATOM 1887 N ARG A 117 10.949 13.749 -5.624 1.00 0.00 N ATOM 1888 CA ARG A 117 10.601 15.074 -6.122 1.00 0.00 C ATOM 1889 C ARG A 117 10.509 16.078 -4.976 1.00 0.00 C ATOM 1890 O ARG A 117 10.751 17.271 -5.162 1.00 0.00 O ATOM 1891 CB ARG A 117 9.274 15.026 -6.881 1.00 0.00 C ATOM 1892 CG ARG A 117 9.029 16.243 -7.757 1.00 0.00 C ATOM 1893 CD ARG A 117 8.422 17.389 -6.962 1.00 0.00 C ATOM 1894 NE ARG A 117 7.554 18.227 -7.785 1.00 0.00 N ATOM 1895 CZ ARG A 117 6.693 19.107 -7.286 1.00 0.00 C ATOM 1896 NH1 ARG A 117 6.586 19.263 -5.973 1.00 0.00 N ATOM 1897 NH2 ARG A 117 5.938 19.833 -8.100 1.00 0.00 N ATOM 0 H ARG A 117 10.179 13.080 -5.631 1.00 0.00 H new ATOM 0 HA ARG A 117 11.388 15.397 -6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.253 14.131 -7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.458 14.935 -6.164 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.969 16.566 -8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.363 15.974 -8.577 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.850 16.987 -6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.220 17.999 -6.539 1.00 0.00 H new ATOM 0 HE ARG A 117 7.612 18.131 -8.799 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.166 18.707 -5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 117 5.924 19.939 -5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.018 19.716 -9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 117 5.277 20.508 -7.716 1.00 0.00 H new ATOM 1911 N TYR A 118 10.156 15.587 -3.794 1.00 0.00 N ATOM 1912 CA TYR A 118 10.029 16.441 -2.619 1.00 0.00 C ATOM 1913 C TYR A 118 11.250 16.310 -1.714 1.00 0.00 C ATOM 1914 O TYR A 118 11.173 16.546 -0.509 1.00 0.00 O ATOM 1915 CB TYR A 118 8.762 16.085 -1.839 1.00 0.00 C ATOM 1916 CG TYR A 118 7.490 16.575 -2.493 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.277 16.405 -3.855 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.503 17.209 -1.749 1.00 0.00 C ATOM 1919 CE1 TYR A 118 6.116 16.852 -4.458 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.339 17.658 -2.343 1.00 0.00 C ATOM 1921 CZ TYR A 118 5.150 17.477 -3.697 1.00 0.00 C ATOM 1922 OH TYR A 118 3.993 17.924 -4.292 1.00 0.00 O ATOM 0 H TYR A 118 9.953 14.602 -3.624 1.00 0.00 H new ATOM 0 HA TYR A 118 9.961 17.474 -2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.708 15.002 -1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.832 16.508 -0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 118 8.031 15.915 -4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.648 17.353 -0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.966 16.713 -5.518 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.581 18.148 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 118 3.417 18.340 -3.617 1.00 0.00 H new ATOM 1932 N SER A 119 12.379 15.931 -2.306 1.00 0.00 N ATOM 1933 CA SER A 119 13.618 15.765 -1.555 1.00 0.00 C ATOM 1934 C SER A 119 13.824 16.924 -0.584 1.00 0.00 C ATOM 1935 O SER A 119 14.087 16.717 0.600 1.00 0.00 O ATOM 1936 CB SER A 119 14.809 15.666 -2.510 1.00 0.00 C ATOM 1937 OG SER A 119 15.937 15.106 -1.862 1.00 0.00 O ATOM 0 H SER A 119 12.461 15.733 -3.303 1.00 0.00 H new ATOM 0 HA SER A 119 13.545 14.841 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.539 15.054 -3.371 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.058 16.657 -2.889 1.00 0.00 H new ATOM 0 HG SER A 119 16.684 15.052 -2.494 1.00 0.00 H new