USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=24 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 94 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 98 HIS : no HD1:sc= -0.0916 X(o=-0.092,f=-0.00097) USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 HIS :FLIP no HE2:sc= -2.36 F(o=-4!,f=-2.4) USER MOD Set 3.1: A 23 TYR OH : rot -96:sc= 0.386 USER MOD Set 3.2: A 34 MET CE :methyl 142:sc= -3.57! (180deg=-8.34!) USER MOD Single : A 14 ASN : amide:sc= -0.0865 X(o=-0.087,f=-0.12) USER MOD Single : A 16 HIS :FLIP no HE2:sc= -6.37! C(o=-8.6!,f=-6.4!) USER MOD Single : A 18 SER OG : rot -47:sc= 0.167 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 -50:sc= 1.22 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -7.42! C(o=-7.4!,f=-12!) USER MOD Single : A 76 HIS : no HD1:sc= -0.489 K(o=-0.49,f=-1.2) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -68:sc= 0.429 USER MOD Single : A 84 TYR OH : rot 165:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -41:sc=0.000302 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0993) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.111 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 -4.901 -10.053 -9.051 1.00 0.00 N ATOM 151 CA ASN A 14 -4.743 -8.895 -8.179 1.00 0.00 C ATOM 152 C ASN A 14 -3.782 -7.880 -8.792 1.00 0.00 C ATOM 153 O ASN A 14 -2.573 -7.917 -8.565 1.00 0.00 O ATOM 154 CB ASN A 14 -4.232 -9.331 -6.804 1.00 0.00 C ATOM 155 CG ASN A 14 -5.311 -9.996 -5.971 1.00 0.00 C ATOM 156 OD1 ASN A 14 -6.343 -9.393 -5.677 1.00 0.00 O ATOM 157 ND2 ASN A 14 -5.075 -11.245 -5.587 1.00 0.00 N ATOM 0 HA ASN A 14 -5.719 -8.423 -8.064 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.398 -10.021 -6.931 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.848 -8.462 -6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.764 -11.744 -5.024 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.205 -11.705 -5.855 1.00 0.00 H new ATOM 164 N PRO A 15 -4.332 -6.951 -9.588 1.00 0.00 N ATOM 165 CA PRO A 15 -3.543 -5.907 -10.250 1.00 0.00 C ATOM 166 C PRO A 15 -2.997 -4.881 -9.263 1.00 0.00 C ATOM 167 O PRO A 15 -2.042 -4.164 -9.563 1.00 0.00 O ATOM 168 CB PRO A 15 -4.547 -5.253 -11.202 1.00 0.00 C ATOM 169 CG PRO A 15 -5.878 -5.511 -10.584 1.00 0.00 C ATOM 170 CD PRO A 15 -5.767 -6.847 -9.903 1.00 0.00 C ATOM 0 HA PRO A 15 -2.665 -6.315 -10.751 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.358 -4.184 -11.304 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.484 -5.684 -12.201 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.134 -4.729 -9.869 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.663 -5.522 -11.340 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.380 -6.891 -9.003 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.096 -7.658 -10.553 1.00 0.00 H new ATOM 178 N HIS A 16 -3.610 -4.814 -8.085 1.00 0.00 N ATOM 179 CA HIS A 16 -3.184 -3.875 -7.054 1.00 0.00 C ATOM 180 C HIS A 16 -1.749 -4.158 -6.621 1.00 0.00 C ATOM 181 O HIS A 16 -1.151 -3.382 -5.876 1.00 0.00 O ATOM 182 CB HIS A 16 -4.118 -3.953 -5.846 1.00 0.00 C ATOM 183 CG HIS A 16 -3.908 -5.173 -5.004 1.00 0.00 C ATOM 184 ND1 HIS A 16 -3.048 -5.408 -3.985 1.00 0.00 N flip ATOM 185 CD2 HIS A 16 -4.630 -6.336 -5.169 1.00 0.00 C flip ATOM 186 CE1 HIS A 16 -3.265 -6.695 -3.557 1.00 0.00 C flip ATOM 187 NE2 HIS A 16 -4.225 -7.233 -4.288 1.00 0.00 N flip ATOM 0 H HIS A 16 -4.403 -5.399 -7.821 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.227 -2.870 -7.473 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.974 -3.066 -5.228 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.151 -3.935 -6.194 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -2.366 -4.751 -3.606 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.406 -6.490 -5.904 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.737 -7.187 -2.754 1.00 0.00 H new ATOM 196 N GLU A 17 -1.202 -5.275 -7.092 1.00 0.00 N ATOM 197 CA GLU A 17 0.162 -5.660 -6.751 1.00 0.00 C ATOM 198 C GLU A 17 1.147 -5.166 -7.807 1.00 0.00 C ATOM 199 O GLU A 17 2.320 -5.537 -7.799 1.00 0.00 O ATOM 200 CB GLU A 17 0.267 -7.180 -6.611 1.00 0.00 C ATOM 201 CG GLU A 17 -0.119 -7.692 -5.234 1.00 0.00 C ATOM 202 CD GLU A 17 0.614 -8.965 -4.859 1.00 0.00 C ATOM 203 OE1 GLU A 17 0.707 -9.870 -5.714 1.00 0.00 O ATOM 204 OE2 GLU A 17 1.095 -9.057 -3.710 1.00 0.00 O ATOM 0 H GLU A 17 -1.683 -5.928 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 17 0.415 -5.196 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.374 -7.650 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.290 -7.487 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.093 -6.923 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.193 -7.874 -5.206 1.00 0.00 H new ATOM 211 N SER A 18 0.659 -4.327 -8.716 1.00 0.00 N ATOM 212 CA SER A 18 1.494 -3.785 -9.782 1.00 0.00 C ATOM 213 C SER A 18 1.414 -2.262 -9.813 1.00 0.00 C ATOM 214 O SER A 18 2.091 -1.609 -10.608 1.00 0.00 O ATOM 215 CB SER A 18 1.066 -4.358 -11.134 1.00 0.00 C ATOM 216 OG SER A 18 2.056 -4.128 -12.122 1.00 0.00 O ATOM 0 H SER A 18 -0.310 -4.008 -8.735 1.00 0.00 H new ATOM 0 HA SER A 18 2.527 -4.073 -9.584 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.885 -5.429 -11.038 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.125 -3.903 -11.444 1.00 0.00 H new ATOM 0 HG SER A 18 2.355 -3.196 -12.075 1.00 0.00 H new ATOM 222 N LYS A 19 0.582 -1.701 -8.943 1.00 0.00 N ATOM 223 CA LYS A 19 0.412 -0.255 -8.868 1.00 0.00 C ATOM 224 C LYS A 19 1.643 0.406 -8.257 1.00 0.00 C ATOM 225 O LYS A 19 2.336 -0.171 -7.418 1.00 0.00 O ATOM 226 CB LYS A 19 -0.829 0.091 -8.042 1.00 0.00 C ATOM 227 CG LYS A 19 -2.133 -0.327 -8.698 1.00 0.00 C ATOM 228 CD LYS A 19 -2.416 0.491 -9.947 1.00 0.00 C ATOM 229 CE LYS A 19 -3.909 0.595 -10.218 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.199 1.445 -11.406 1.00 0.00 N ATOM 0 H LYS A 19 0.014 -2.227 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 19 0.283 0.124 -9.882 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.752 -0.391 -7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.849 1.166 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.088 -1.385 -8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.953 -0.207 -7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.995 1.490 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.921 0.033 -10.803 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.320 -0.402 -10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.409 1.011 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.227 1.491 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.830 2.404 -11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.743 1.035 -12.246 1.00 0.00 H new ATOM 244 N PRO A 20 1.923 1.646 -8.685 1.00 0.00 N ATOM 245 CA PRO A 20 3.071 2.414 -8.191 1.00 0.00 C ATOM 246 C PRO A 20 2.897 2.848 -6.740 1.00 0.00 C ATOM 247 O PRO A 20 3.862 2.901 -5.978 1.00 0.00 O ATOM 248 CB PRO A 20 3.105 3.634 -9.114 1.00 0.00 C ATOM 249 CG PRO A 20 1.702 3.788 -9.591 1.00 0.00 C ATOM 250 CD PRO A 20 1.141 2.395 -9.682 1.00 0.00 C ATOM 0 HA PRO A 20 3.990 1.827 -8.203 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.442 4.524 -8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.792 3.481 -9.947 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.120 4.399 -8.901 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.672 4.285 -10.561 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.075 2.375 -9.454 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.261 1.978 -10.682 1.00 0.00 H new ATOM 258 N TRP A 21 1.661 3.156 -6.364 1.00 0.00 N ATOM 259 CA TRP A 21 1.361 3.585 -5.002 1.00 0.00 C ATOM 260 C TRP A 21 1.323 2.394 -4.052 1.00 0.00 C ATOM 261 O TRP A 21 1.061 2.548 -2.859 1.00 0.00 O ATOM 262 CB TRP A 21 0.025 4.329 -4.963 1.00 0.00 C ATOM 263 CG TRP A 21 -1.077 3.607 -5.677 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.600 3.915 -6.901 1.00 0.00 C ATOM 265 CD2 TRP A 21 -1.793 2.459 -5.210 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.598 3.027 -7.223 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.735 2.123 -6.202 1.00 0.00 C ATOM 268 CE3 TRP A 21 -1.729 1.680 -4.052 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.605 1.044 -6.068 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.593 0.609 -3.920 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.520 0.299 -4.924 1.00 0.00 C ATOM 0 H TRP A 21 0.851 3.117 -6.982 1.00 0.00 H new ATOM 0 HA TRP A 21 2.153 4.259 -4.676 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.266 4.485 -3.924 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.153 5.315 -5.410 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.277 4.736 -7.524 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.148 3.039 -8.082 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.017 1.911 -3.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.321 0.804 -6.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.553 0.001 -3.028 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.181 -0.545 -4.792 1.00 0.00 H new ATOM 282 N TYR A 22 1.585 1.207 -4.587 1.00 0.00 N ATOM 283 CA TYR A 22 1.578 -0.011 -3.786 1.00 0.00 C ATOM 284 C TYR A 22 2.972 -0.318 -3.248 1.00 0.00 C ATOM 285 O TYR A 22 3.974 -0.119 -3.937 1.00 0.00 O ATOM 286 CB TYR A 22 1.070 -1.190 -4.618 1.00 0.00 C ATOM 287 CG TYR A 22 1.421 -2.540 -4.033 1.00 0.00 C ATOM 288 CD1 TYR A 22 2.725 -3.016 -4.066 1.00 0.00 C ATOM 289 CD2 TYR A 22 0.447 -3.339 -3.445 1.00 0.00 C ATOM 290 CE1 TYR A 22 3.050 -4.248 -3.534 1.00 0.00 C ATOM 291 CE2 TYR A 22 0.763 -4.572 -2.909 1.00 0.00 C ATOM 292 CZ TYR A 22 2.065 -5.022 -2.956 1.00 0.00 C ATOM 293 OH TYR A 22 2.385 -6.250 -2.423 1.00 0.00 O ATOM 0 H TYR A 22 1.805 1.062 -5.572 1.00 0.00 H new ATOM 0 HA TYR A 22 0.908 0.145 -2.940 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.013 -1.116 -4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.485 -1.120 -5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.499 -2.412 -4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.574 -2.990 -3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.069 -4.604 -3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.006 -5.180 -2.456 1.00 0.00 H new ATOM 0 HH TYR A 22 1.578 -6.667 -2.054 1.00 0.00 H new ATOM 303 N TYR A 23 3.029 -0.804 -2.013 1.00 0.00 N ATOM 304 CA TYR A 23 4.299 -1.137 -1.380 1.00 0.00 C ATOM 305 C TYR A 23 4.298 -2.578 -0.880 1.00 0.00 C ATOM 306 O TYR A 23 3.253 -3.121 -0.520 1.00 0.00 O ATOM 307 CB TYR A 23 4.580 -0.182 -0.219 1.00 0.00 C ATOM 308 CG TYR A 23 4.978 1.209 -0.660 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.272 1.479 -1.087 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.060 2.252 -0.650 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.641 2.748 -1.491 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.419 3.523 -1.053 1.00 0.00 C ATOM 313 CZ TYR A 23 5.711 3.766 -1.472 1.00 0.00 C ATOM 314 OH TYR A 23 6.073 5.032 -1.874 1.00 0.00 O ATOM 0 H TYR A 23 2.210 -0.976 -1.430 1.00 0.00 H new ATOM 0 HA TYR A 23 5.086 -1.032 -2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.691 -0.115 0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.375 -0.599 0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.002 0.683 -1.104 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.048 2.065 -0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.651 2.941 -1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.693 4.322 -1.040 1.00 0.00 H new ATOM 0 HH TYR A 23 6.304 5.571 -1.089 1.00 0.00 H new ATOM 324 N ASP A 24 5.476 -3.191 -0.859 1.00 0.00 N ATOM 325 CA ASP A 24 5.613 -4.569 -0.401 1.00 0.00 C ATOM 326 C ASP A 24 6.753 -4.697 0.604 1.00 0.00 C ATOM 327 O ASP A 24 6.693 -5.510 1.526 1.00 0.00 O ATOM 328 CB ASP A 24 5.856 -5.502 -1.588 1.00 0.00 C ATOM 329 CG ASP A 24 6.831 -4.919 -2.592 1.00 0.00 C ATOM 330 OD1 ASP A 24 6.629 -3.760 -3.012 1.00 0.00 O ATOM 331 OD2 ASP A 24 7.797 -5.621 -2.957 1.00 0.00 O ATOM 0 H ASP A 24 6.350 -2.756 -1.154 1.00 0.00 H new ATOM 0 HA ASP A 24 4.684 -4.856 0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.240 -6.455 -1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.908 -5.708 -2.084 1.00 0.00 H new ATOM 336 N ARG A 25 7.792 -3.888 0.419 1.00 0.00 N ATOM 337 CA ARG A 25 8.947 -3.913 1.309 1.00 0.00 C ATOM 338 C ARG A 25 8.915 -2.730 2.273 1.00 0.00 C ATOM 339 O ARG A 25 9.755 -2.623 3.168 1.00 0.00 O ATOM 340 CB ARG A 25 10.243 -3.888 0.497 1.00 0.00 C ATOM 341 CG ARG A 25 10.548 -5.202 -0.204 1.00 0.00 C ATOM 342 CD ARG A 25 11.780 -5.089 -1.088 1.00 0.00 C ATOM 343 NE ARG A 25 12.092 -6.350 -1.756 1.00 0.00 N ATOM 344 CZ ARG A 25 13.185 -6.544 -2.485 1.00 0.00 C ATOM 345 NH1 ARG A 25 14.066 -5.565 -2.639 1.00 0.00 N ATOM 346 NH2 ARG A 25 13.399 -7.720 -3.062 1.00 0.00 N ATOM 0 H ARG A 25 7.857 -3.208 -0.338 1.00 0.00 H new ATOM 0 HA ARG A 25 8.908 -4.835 1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.180 -3.095 -0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.072 -3.638 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.702 -5.985 0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.691 -5.501 -0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.619 -4.313 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.632 -4.778 -0.484 1.00 0.00 H new ATOM 0 HE ARG A 25 11.435 -7.124 -1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.905 -4.660 -2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.905 -5.717 -3.199 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.724 -8.476 -2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.239 -7.868 -3.622 1.00 0.00 H new ATOM 360 N LEU A 26 7.943 -1.846 2.085 1.00 0.00 N ATOM 361 CA LEU A 26 7.802 -0.670 2.937 1.00 0.00 C ATOM 362 C LEU A 26 7.536 -1.076 4.384 1.00 0.00 C ATOM 363 O LEU A 26 7.006 -2.154 4.649 1.00 0.00 O ATOM 364 CB LEU A 26 6.666 0.220 2.429 1.00 0.00 C ATOM 365 CG LEU A 26 6.516 1.576 3.120 1.00 0.00 C ATOM 366 CD1 LEU A 26 7.674 2.491 2.756 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.188 2.219 2.748 1.00 0.00 C ATOM 0 H LEU A 26 7.240 -1.920 1.350 1.00 0.00 H new ATOM 0 HA LEU A 26 8.737 -0.111 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.815 0.392 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.728 -0.325 2.536 1.00 0.00 H new ATOM 0 HG LEU A 26 6.531 1.417 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.550 3.451 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.612 2.035 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.691 2.644 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.098 3.183 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.144 2.365 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.370 1.570 3.060 1.00 0.00 H new ATOM 379 N SER A 27 7.908 -0.203 5.315 1.00 0.00 N ATOM 380 CA SER A 27 7.711 -0.471 6.735 1.00 0.00 C ATOM 381 C SER A 27 7.060 0.723 7.428 1.00 0.00 C ATOM 382 O SER A 27 6.880 1.781 6.826 1.00 0.00 O ATOM 383 CB SER A 27 9.048 -0.796 7.404 1.00 0.00 C ATOM 384 OG SER A 27 9.960 0.281 7.271 1.00 0.00 O ATOM 0 H SER A 27 8.347 0.695 5.112 1.00 0.00 H new ATOM 0 HA SER A 27 7.047 -1.330 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.887 -1.012 8.460 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.473 -1.694 6.956 1.00 0.00 H new ATOM 0 HG SER A 27 10.806 0.049 7.708 1.00 0.00 H new ATOM 390 N ARG A 28 6.708 0.542 8.697 1.00 0.00 N ATOM 391 CA ARG A 28 6.075 1.603 9.472 1.00 0.00 C ATOM 392 C ARG A 28 7.044 2.758 9.705 1.00 0.00 C ATOM 393 O ARG A 28 6.652 3.924 9.692 1.00 0.00 O ATOM 394 CB ARG A 28 5.582 1.058 10.813 1.00 0.00 C ATOM 395 CG ARG A 28 4.194 0.441 10.747 1.00 0.00 C ATOM 396 CD ARG A 28 3.802 -0.191 12.074 1.00 0.00 C ATOM 397 NE ARG A 28 4.335 -1.543 12.214 1.00 0.00 N ATOM 398 CZ ARG A 28 4.131 -2.306 13.283 1.00 0.00 C ATOM 399 NH1 ARG A 28 3.409 -1.852 14.298 1.00 0.00 N ATOM 400 NH2 ARG A 28 4.649 -3.526 13.337 1.00 0.00 N ATOM 0 H ARG A 28 6.850 -0.328 9.210 1.00 0.00 H new ATOM 0 HA ARG A 28 5.223 1.976 8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.287 0.308 11.172 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.577 1.866 11.544 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.466 1.207 10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.167 -0.314 9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.167 0.429 12.893 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.715 -0.219 12.155 1.00 0.00 H new ATOM 0 HE ARG A 28 4.894 -1.923 11.450 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.008 -0.915 14.260 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.254 -2.440 15.117 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.204 -3.879 12.558 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.492 -4.111 14.158 1.00 0.00 H new ATOM 414 N GLY A 29 8.314 2.425 9.920 1.00 0.00 N ATOM 415 CA GLY A 29 9.319 3.445 10.154 1.00 0.00 C ATOM 416 C GLY A 29 9.463 4.397 8.983 1.00 0.00 C ATOM 417 O GLY A 29 9.946 5.517 9.142 1.00 0.00 O ATOM 0 H GLY A 29 8.664 1.467 9.936 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.057 4.011 11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.279 2.967 10.350 1.00 0.00 H new ATOM 421 N GLU A 30 9.044 3.949 7.803 1.00 0.00 N ATOM 422 CA GLU A 30 9.131 4.769 6.601 1.00 0.00 C ATOM 423 C GLU A 30 7.765 5.339 6.230 1.00 0.00 C ATOM 424 O GLU A 30 7.601 6.551 6.097 1.00 0.00 O ATOM 425 CB GLU A 30 9.686 3.947 5.436 1.00 0.00 C ATOM 426 CG GLU A 30 11.126 3.503 5.635 1.00 0.00 C ATOM 427 CD GLU A 30 12.125 4.589 5.285 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.353 4.819 4.079 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.678 5.209 6.217 1.00 0.00 O ATOM 0 H GLU A 30 8.641 3.024 7.655 1.00 0.00 H new ATOM 0 HA GLU A 30 9.807 5.599 6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.060 3.066 5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.620 4.537 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.270 3.203 6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.320 2.624 5.020 1.00 0.00 H new ATOM 436 N ALA A 31 6.787 4.454 6.064 1.00 0.00 N ATOM 437 CA ALA A 31 5.434 4.868 5.711 1.00 0.00 C ATOM 438 C ALA A 31 5.043 6.148 6.441 1.00 0.00 C ATOM 439 O ALA A 31 4.835 7.189 5.818 1.00 0.00 O ATOM 440 CB ALA A 31 4.444 3.756 6.023 1.00 0.00 C ATOM 0 H ALA A 31 6.906 3.446 6.168 1.00 0.00 H new ATOM 0 HA ALA A 31 5.410 5.071 4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.438 4.079 5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.704 2.866 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.479 3.526 7.088 1.00 0.00 H new ATOM 446 N GLU A 32 4.945 6.063 7.764 1.00 0.00 N ATOM 447 CA GLU A 32 4.577 7.216 8.578 1.00 0.00 C ATOM 448 C GLU A 32 5.339 8.461 8.134 1.00 0.00 C ATOM 449 O GLU A 32 4.740 9.482 7.799 1.00 0.00 O ATOM 450 CB GLU A 32 4.855 6.934 10.056 1.00 0.00 C ATOM 451 CG GLU A 32 3.934 5.886 10.659 1.00 0.00 C ATOM 452 CD GLU A 32 4.308 5.534 12.086 1.00 0.00 C ATOM 453 OE1 GLU A 32 4.353 6.451 12.932 1.00 0.00 O ATOM 454 OE2 GLU A 32 4.555 4.339 12.355 1.00 0.00 O ATOM 0 H GLU A 32 5.115 5.209 8.295 1.00 0.00 H new ATOM 0 HA GLU A 32 3.511 7.397 8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.888 6.604 10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.754 7.862 10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.908 6.253 10.636 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.964 4.985 10.046 1.00 0.00 H new ATOM 461 N ASP A 33 6.664 8.367 8.134 1.00 0.00 N ATOM 462 CA ASP A 33 7.510 9.485 7.732 1.00 0.00 C ATOM 463 C ASP A 33 7.071 10.039 6.380 1.00 0.00 C ATOM 464 O ASP A 33 6.739 11.217 6.259 1.00 0.00 O ATOM 465 CB ASP A 33 8.974 9.047 7.666 1.00 0.00 C ATOM 466 CG ASP A 33 9.932 10.186 7.955 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.902 10.715 9.085 1.00 0.00 O ATOM 468 OD2 ASP A 33 10.713 10.548 7.050 1.00 0.00 O ATOM 0 H ASP A 33 7.176 7.528 8.408 1.00 0.00 H new ATOM 0 HA ASP A 33 7.408 10.273 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.143 8.243 8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.185 8.641 6.677 1.00 0.00 H new ATOM 473 N MET A 34 7.074 9.180 5.365 1.00 0.00 N ATOM 474 CA MET A 34 6.676 9.584 4.022 1.00 0.00 C ATOM 475 C MET A 34 5.545 10.607 4.074 1.00 0.00 C ATOM 476 O MET A 34 5.690 11.732 3.594 1.00 0.00 O ATOM 477 CB MET A 34 6.238 8.365 3.208 1.00 0.00 C ATOM 478 CG MET A 34 7.376 7.700 2.450 1.00 0.00 C ATOM 479 SD MET A 34 6.828 6.915 0.922 1.00 0.00 S ATOM 480 CE MET A 34 5.908 5.521 1.568 1.00 0.00 C ATOM 0 H MET A 34 7.347 8.201 5.448 1.00 0.00 H new ATOM 0 HA MET A 34 7.538 10.045 3.539 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.783 7.635 3.878 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.469 8.669 2.498 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.137 8.445 2.218 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.846 6.953 3.090 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.025 5.351 0.952 1.00 0.00 H new ATOM 0 HE2 MET A 34 6.537 4.631 1.553 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.601 5.731 2.593 1.00 0.00 H new ATOM 490 N LEU A 35 4.421 10.210 4.659 1.00 0.00 N ATOM 491 CA LEU A 35 3.265 11.093 4.774 1.00 0.00 C ATOM 492 C LEU A 35 3.664 12.438 5.372 1.00 0.00 C ATOM 493 O LEU A 35 3.199 13.487 4.929 1.00 0.00 O ATOM 494 CB LEU A 35 2.183 10.439 5.636 1.00 0.00 C ATOM 495 CG LEU A 35 1.185 9.546 4.899 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.304 10.377 3.979 1.00 0.00 C ATOM 497 CD2 LEU A 35 1.915 8.469 4.110 1.00 0.00 C ATOM 0 H LEU A 35 4.285 9.283 5.061 1.00 0.00 H new ATOM 0 HA LEU A 35 2.869 11.265 3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.672 9.844 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.628 11.226 6.146 1.00 0.00 H new ATOM 0 HG LEU A 35 0.548 9.059 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.400 9.725 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.246 11.111 4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.926 10.891 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.189 7.843 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.576 8.937 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.503 7.855 4.791 1.00 0.00 H new ATOM 509 N MET A 36 4.531 12.398 6.379 1.00 0.00 N ATOM 510 CA MET A 36 4.996 13.615 7.035 1.00 0.00 C ATOM 511 C MET A 36 5.740 14.512 6.051 1.00 0.00 C ATOM 512 O MET A 36 5.647 15.738 6.123 1.00 0.00 O ATOM 513 CB MET A 36 5.905 13.268 8.215 1.00 0.00 C ATOM 514 CG MET A 36 5.255 12.343 9.231 1.00 0.00 C ATOM 515 SD MET A 36 5.914 12.566 10.895 1.00 0.00 S ATOM 516 CE MET A 36 4.529 12.011 11.885 1.00 0.00 C ATOM 0 H MET A 36 4.925 11.537 6.758 1.00 0.00 H new ATOM 0 HA MET A 36 4.124 14.155 7.404 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.813 12.799 7.838 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.206 14.189 8.714 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.180 12.521 9.243 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.403 11.308 8.921 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.783 12.089 12.942 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.659 12.633 11.674 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.301 10.973 11.642 1.00 0.00 H new ATOM 526 N ARG A 37 6.478 13.894 5.135 1.00 0.00 N ATOM 527 CA ARG A 37 7.239 14.638 4.138 1.00 0.00 C ATOM 528 C ARG A 37 6.309 15.289 3.118 1.00 0.00 C ATOM 529 O ARG A 37 6.551 16.409 2.669 1.00 0.00 O ATOM 530 CB ARG A 37 8.228 13.713 3.426 1.00 0.00 C ATOM 531 CG ARG A 37 9.325 13.181 4.333 1.00 0.00 C ATOM 532 CD ARG A 37 10.156 12.116 3.635 1.00 0.00 C ATOM 533 NE ARG A 37 10.906 12.658 2.506 1.00 0.00 N ATOM 534 CZ ARG A 37 11.775 11.951 1.793 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.003 10.679 2.091 1.00 0.00 N ATOM 536 NH2 ARG A 37 12.419 12.515 0.779 1.00 0.00 N ATOM 0 H ARG A 37 6.565 12.880 5.062 1.00 0.00 H new ATOM 0 HA ARG A 37 7.793 15.424 4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.682 12.872 2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.684 14.253 2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.971 14.002 4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.881 12.764 5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.848 11.671 4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.502 11.317 3.285 1.00 0.00 H new ATOM 0 HE ARG A 37 10.754 13.634 2.251 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.510 10.241 2.870 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.671 10.138 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.247 13.493 0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.086 11.970 0.232 1.00 0.00 H new ATOM 550 N ILE A 38 5.246 14.578 2.757 1.00 0.00 N ATOM 551 CA ILE A 38 4.280 15.086 1.791 1.00 0.00 C ATOM 552 C ILE A 38 3.570 16.326 2.324 1.00 0.00 C ATOM 553 O ILE A 38 2.859 16.281 3.328 1.00 0.00 O ATOM 554 CB ILE A 38 3.228 14.020 1.431 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.913 12.717 1.016 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.321 14.525 0.320 1.00 0.00 C ATOM 557 CD1 ILE A 38 4.564 12.783 -0.348 1.00 0.00 C ATOM 0 H ILE A 38 5.032 13.649 3.119 1.00 0.00 H new ATOM 0 HA ILE A 38 4.840 15.348 0.893 1.00 0.00 H new ATOM 0 HB ILE A 38 2.616 13.823 2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.669 12.461 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.178 11.912 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.583 13.760 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.811 15.430 0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.918 14.747 -0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.030 11.824 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.809 13.008 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.323 13.565 -0.351 1.00 0.00 H new ATOM 569 N PRO A 39 3.763 17.461 1.635 1.00 0.00 N ATOM 570 CA PRO A 39 3.147 18.734 2.020 1.00 0.00 C ATOM 571 C PRO A 39 1.639 18.740 1.795 1.00 0.00 C ATOM 572 O PRO A 39 0.968 19.741 2.048 1.00 0.00 O ATOM 573 CB PRO A 39 3.829 19.750 1.099 1.00 0.00 C ATOM 574 CG PRO A 39 4.256 18.958 -0.088 1.00 0.00 C ATOM 575 CD PRO A 39 4.597 17.588 0.429 1.00 0.00 C ATOM 0 HA PRO A 39 3.277 18.945 3.081 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.145 20.550 0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.682 20.219 1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.460 18.908 -0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.117 19.417 -0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.366 16.814 -0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.658 17.499 0.663 1.00 0.00 H new ATOM 583 N ARG A 40 1.112 17.616 1.319 1.00 0.00 N ATOM 584 CA ARG A 40 -0.317 17.493 1.060 1.00 0.00 C ATOM 585 C ARG A 40 -1.038 16.894 2.265 1.00 0.00 C ATOM 586 O ARG A 40 -0.506 16.018 2.947 1.00 0.00 O ATOM 587 CB ARG A 40 -0.560 16.625 -0.176 1.00 0.00 C ATOM 588 CG ARG A 40 0.268 17.038 -1.382 1.00 0.00 C ATOM 589 CD ARG A 40 -0.304 18.275 -2.054 1.00 0.00 C ATOM 590 NE ARG A 40 0.698 18.980 -2.848 1.00 0.00 N ATOM 591 CZ ARG A 40 0.399 19.855 -3.802 1.00 0.00 C ATOM 592 NH1 ARG A 40 -0.868 20.132 -4.078 1.00 0.00 N ATOM 593 NH2 ARG A 40 1.367 20.456 -4.481 1.00 0.00 N ATOM 0 H ARG A 40 1.653 16.778 1.105 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.715 18.491 0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.336 15.587 0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.617 16.670 -0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.294 17.234 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.304 16.217 -2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.137 17.987 -2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.704 18.948 -1.295 1.00 0.00 H new ATOM 0 HE ARG A 40 1.682 18.790 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.615 19.673 -3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.095 20.804 -4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.343 20.247 -4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.135 21.127 -5.213 1.00 0.00 H new ATOM 607 N ASP A 41 -2.251 17.373 2.520 1.00 0.00 N ATOM 608 CA ASP A 41 -3.046 16.885 3.641 1.00 0.00 C ATOM 609 C ASP A 41 -4.094 15.882 3.169 1.00 0.00 C ATOM 610 O ASP A 41 -5.246 15.925 3.598 1.00 0.00 O ATOM 611 CB ASP A 41 -3.725 18.052 4.358 1.00 0.00 C ATOM 612 CG ASP A 41 -2.836 19.278 4.441 1.00 0.00 C ATOM 613 OD1 ASP A 41 -1.710 19.160 4.968 1.00 0.00 O ATOM 614 OD2 ASP A 41 -3.266 20.354 3.977 1.00 0.00 O ATOM 0 H ASP A 41 -2.705 18.099 1.965 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.376 16.381 4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.646 18.310 3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.006 17.742 5.364 1.00 0.00 H new ATOM 619 N GLY A 42 -3.686 14.981 2.280 1.00 0.00 N ATOM 620 CA GLY A 42 -4.602 13.981 1.763 1.00 0.00 C ATOM 621 C GLY A 42 -3.887 12.865 1.027 1.00 0.00 C ATOM 622 O GLY A 42 -4.476 12.194 0.181 1.00 0.00 O ATOM 0 H GLY A 42 -2.738 14.926 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.177 13.559 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.314 14.458 1.090 1.00 0.00 H new ATOM 626 N ALA A 43 -2.613 12.667 1.349 1.00 0.00 N ATOM 627 CA ALA A 43 -1.818 11.625 0.713 1.00 0.00 C ATOM 628 C ALA A 43 -2.057 10.271 1.373 1.00 0.00 C ATOM 629 O ALA A 43 -2.204 10.181 2.592 1.00 0.00 O ATOM 630 CB ALA A 43 -0.340 11.984 0.762 1.00 0.00 C ATOM 0 H ALA A 43 -2.110 13.215 2.047 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.129 11.552 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.242 11.196 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.177 12.926 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.025 12.088 1.800 1.00 0.00 H new ATOM 636 N PHE A 44 -2.095 9.220 0.561 1.00 0.00 N ATOM 637 CA PHE A 44 -2.318 7.871 1.067 1.00 0.00 C ATOM 638 C PHE A 44 -1.352 6.881 0.421 1.00 0.00 C ATOM 639 O PHE A 44 -0.836 7.123 -0.671 1.00 0.00 O ATOM 640 CB PHE A 44 -3.762 7.437 0.804 1.00 0.00 C ATOM 641 CG PHE A 44 -4.019 7.042 -0.622 1.00 0.00 C ATOM 642 CD1 PHE A 44 -3.736 5.758 -1.060 1.00 0.00 C ATOM 643 CD2 PHE A 44 -4.544 7.954 -1.523 1.00 0.00 C ATOM 644 CE1 PHE A 44 -3.972 5.391 -2.372 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.782 7.592 -2.836 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.495 6.310 -3.261 1.00 0.00 C ATOM 0 H PHE A 44 -1.974 9.277 -0.450 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.138 7.879 2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.005 6.597 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.433 8.253 1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.327 5.036 -0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.770 8.958 -1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.748 4.387 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.192 8.312 -3.529 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.679 6.026 -4.287 1.00 0.00 H new ATOM 656 N LEU A 45 -1.112 5.767 1.103 1.00 0.00 N ATOM 657 CA LEU A 45 -0.208 4.740 0.597 1.00 0.00 C ATOM 658 C LEU A 45 -0.603 3.362 1.119 1.00 0.00 C ATOM 659 O LEU A 45 -0.991 3.214 2.279 1.00 0.00 O ATOM 660 CB LEU A 45 1.233 5.057 1.001 1.00 0.00 C ATOM 661 CG LEU A 45 1.639 4.645 2.416 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.011 3.171 2.457 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.796 5.502 2.910 1.00 0.00 C ATOM 0 H LEU A 45 -1.531 5.552 2.008 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.280 4.731 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.903 4.567 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.390 6.131 0.897 1.00 0.00 H new ATOM 0 HG LEU A 45 0.787 4.803 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.297 2.896 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.156 2.571 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.847 2.988 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.072 5.195 3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.651 5.376 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.495 6.550 2.919 1.00 0.00 H new ATOM 675 N ILE A 46 -0.501 2.357 0.257 1.00 0.00 N ATOM 676 CA ILE A 46 -0.844 0.991 0.632 1.00 0.00 C ATOM 677 C ILE A 46 0.402 0.117 0.725 1.00 0.00 C ATOM 678 O ILE A 46 1.251 0.132 -0.166 1.00 0.00 O ATOM 679 CB ILE A 46 -1.826 0.360 -0.373 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.071 1.236 -0.520 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.208 -1.044 0.070 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.218 0.543 -1.222 1.00 0.00 C ATOM 0 H ILE A 46 -0.183 2.463 -0.707 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.322 1.044 1.610 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.336 0.292 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.400 1.554 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.808 2.137 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.902 -1.477 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.313 -1.663 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.683 -1.000 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.067 1.223 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.907 0.249 -2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.508 -0.343 -0.657 1.00 0.00 H new ATOM 694 N ARG A 47 0.504 -0.646 1.809 1.00 0.00 N ATOM 695 CA ARG A 47 1.646 -1.528 2.018 1.00 0.00 C ATOM 696 C ARG A 47 1.198 -2.873 2.583 1.00 0.00 C ATOM 697 O ARG A 47 0.120 -2.986 3.167 1.00 0.00 O ATOM 698 CB ARG A 47 2.654 -0.876 2.965 1.00 0.00 C ATOM 699 CG ARG A 47 2.037 -0.374 4.261 1.00 0.00 C ATOM 700 CD ARG A 47 3.079 0.269 5.162 1.00 0.00 C ATOM 701 NE ARG A 47 3.959 -0.722 5.775 1.00 0.00 N ATOM 702 CZ ARG A 47 3.658 -1.384 6.887 1.00 0.00 C ATOM 703 NH1 ARG A 47 2.505 -1.162 7.503 1.00 0.00 N ATOM 704 NH2 ARG A 47 4.511 -2.271 7.384 1.00 0.00 N ATOM 0 H ARG A 47 -0.190 -0.671 2.556 1.00 0.00 H new ATOM 0 HA ARG A 47 2.122 -1.699 1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.437 -1.597 3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.133 -0.041 2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.253 0.349 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.564 -1.204 4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.675 0.973 4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.579 0.842 5.943 1.00 0.00 H new ATOM 0 HE ARG A 47 4.853 -0.917 5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.847 -0.482 7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.276 -1.672 8.356 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.398 -2.445 6.912 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.279 -2.779 8.238 1.00 0.00 H new ATOM 718 N LYS A 48 2.032 -3.891 2.404 1.00 0.00 N ATOM 719 CA LYS A 48 1.724 -5.229 2.896 1.00 0.00 C ATOM 720 C LYS A 48 2.684 -5.634 4.010 1.00 0.00 C ATOM 721 O LYS A 48 3.886 -5.382 3.928 1.00 0.00 O ATOM 722 CB LYS A 48 1.796 -6.244 1.753 1.00 0.00 C ATOM 723 CG LYS A 48 1.130 -7.571 2.075 1.00 0.00 C ATOM 724 CD LYS A 48 1.302 -8.570 0.943 1.00 0.00 C ATOM 725 CE LYS A 48 2.658 -9.256 1.008 1.00 0.00 C ATOM 726 NZ LYS A 48 3.021 -9.891 -0.290 1.00 0.00 N ATOM 0 H LYS A 48 2.927 -3.815 1.921 1.00 0.00 H new ATOM 0 HA LYS A 48 0.712 -5.216 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.325 -5.816 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.842 -6.423 1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.556 -7.980 2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.068 -7.410 2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.511 -9.319 0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.197 -8.059 -0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.421 -8.527 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.645 -10.013 1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.951 -10.348 -0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.307 -10.604 -0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.059 -9.165 -1.033 1.00 0.00 H new ATOM 740 N ARG A 49 2.145 -6.262 5.050 1.00 0.00 N ATOM 741 CA ARG A 49 2.955 -6.702 6.180 1.00 0.00 C ATOM 742 C ARG A 49 3.218 -8.203 6.109 1.00 0.00 C ATOM 743 O ARG A 49 2.693 -8.894 5.237 1.00 0.00 O ATOM 744 CB ARG A 49 2.258 -6.357 7.498 1.00 0.00 C ATOM 745 CG ARG A 49 2.058 -4.866 7.709 1.00 0.00 C ATOM 746 CD ARG A 49 0.866 -4.586 8.611 1.00 0.00 C ATOM 747 NE ARG A 49 1.117 -4.991 9.992 1.00 0.00 N ATOM 748 CZ ARG A 49 0.169 -5.069 10.918 1.00 0.00 C ATOM 749 NH1 ARG A 49 -1.087 -4.773 10.614 1.00 0.00 N ATOM 750 NH2 ARG A 49 0.476 -5.446 12.153 1.00 0.00 N ATOM 0 H ARG A 49 1.152 -6.477 5.134 1.00 0.00 H new ATOM 0 HA ARG A 49 3.911 -6.181 6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.288 -6.853 7.527 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.845 -6.757 8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.958 -4.436 8.149 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.909 -4.378 6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.632 -3.522 8.582 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.008 -5.115 8.231 1.00 0.00 H new ATOM 0 HE ARG A 49 2.073 -5.227 10.259 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.328 -4.484 9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.813 -4.834 11.328 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.441 -5.676 12.391 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.253 -5.506 12.864 1.00 0.00 H new ATOM 812 N SER A 54 -2.016 -9.506 6.563 1.00 0.00 N ATOM 813 CA SER A 54 -3.007 -8.446 6.413 1.00 0.00 C ATOM 814 C SER A 54 -2.343 -7.139 5.989 1.00 0.00 C ATOM 815 O SER A 54 -1.258 -6.799 6.461 1.00 0.00 O ATOM 816 CB SER A 54 -3.769 -8.243 7.723 1.00 0.00 C ATOM 817 OG SER A 54 -5.087 -7.783 7.480 1.00 0.00 O ATOM 0 HA SER A 54 -3.710 -8.746 5.635 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.804 -9.182 8.276 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.239 -7.524 8.348 1.00 0.00 H new ATOM 0 HG SER A 54 -5.059 -7.018 6.869 1.00 0.00 H new ATOM 823 N TYR A 55 -3.004 -6.411 5.096 1.00 0.00 N ATOM 824 CA TYR A 55 -2.478 -5.142 4.605 1.00 0.00 C ATOM 825 C TYR A 55 -2.830 -4.003 5.557 1.00 0.00 C ATOM 826 O TYR A 55 -3.486 -4.211 6.577 1.00 0.00 O ATOM 827 CB TYR A 55 -3.028 -4.844 3.210 1.00 0.00 C ATOM 828 CG TYR A 55 -2.823 -5.972 2.224 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.735 -7.015 2.132 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.716 -5.993 1.384 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.550 -8.048 1.233 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.524 -7.021 0.481 1.00 0.00 C ATOM 833 CZ TYR A 55 -2.444 -8.046 0.410 1.00 0.00 C ATOM 834 OH TYR A 55 -2.257 -9.072 -0.488 1.00 0.00 O ATOM 0 H TYR A 55 -3.904 -6.677 4.697 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.392 -5.224 4.550 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.094 -4.629 3.287 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.549 -3.944 2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.604 -7.019 2.774 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.993 -5.192 1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.268 -8.853 1.175 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.659 -7.022 -0.165 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.431 -8.919 -0.992 1.00 0.00 H new ATOM 844 N ALA A 56 -2.389 -2.797 5.214 1.00 0.00 N ATOM 845 CA ALA A 56 -2.658 -1.623 6.035 1.00 0.00 C ATOM 846 C ALA A 56 -2.334 -0.339 5.280 1.00 0.00 C ATOM 847 O ALA A 56 -1.189 -0.111 4.886 1.00 0.00 O ATOM 848 CB ALA A 56 -1.863 -1.691 7.331 1.00 0.00 C ATOM 0 H ALA A 56 -1.844 -2.608 4.373 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.721 -1.614 6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.074 -0.808 7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.147 -2.585 7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.798 -1.729 7.103 1.00 0.00 H new ATOM 854 N ILE A 57 -3.347 0.497 5.081 1.00 0.00 N ATOM 855 CA ILE A 57 -3.169 1.759 4.373 1.00 0.00 C ATOM 856 C ILE A 57 -2.857 2.894 5.343 1.00 0.00 C ATOM 857 O ILE A 57 -3.411 2.958 6.440 1.00 0.00 O ATOM 858 CB ILE A 57 -4.421 2.127 3.555 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.108 3.274 2.592 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.567 2.504 4.481 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.251 3.610 1.660 1.00 0.00 C ATOM 0 H ILE A 57 -4.300 0.323 5.400 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.328 1.624 3.693 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.723 1.258 2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.848 4.161 3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.232 3.011 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.444 2.761 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.803 1.661 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.276 3.360 5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.958 4.432 1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.497 2.736 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.123 3.905 2.245 1.00 0.00 H new ATOM 873 N THR A 58 -1.966 3.790 4.929 1.00 0.00 N ATOM 874 CA THR A 58 -1.580 4.924 5.760 1.00 0.00 C ATOM 875 C THR A 58 -1.845 6.244 5.045 1.00 0.00 C ATOM 876 O THR A 58 -1.633 6.362 3.838 1.00 0.00 O ATOM 877 CB THR A 58 -0.092 4.854 6.149 1.00 0.00 C ATOM 878 OG1 THR A 58 0.241 3.528 6.577 1.00 0.00 O ATOM 879 CG2 THR A 58 0.224 5.844 7.259 1.00 0.00 C ATOM 0 H THR A 58 -1.498 3.752 4.023 1.00 0.00 H new ATOM 0 HA THR A 58 -2.187 4.875 6.664 1.00 0.00 H new ATOM 0 HB THR A 58 0.502 5.113 5.273 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.189 3.492 6.821 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.281 5.776 7.517 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.003 6.855 6.920 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.379 5.611 8.137 1.00 0.00 H new ATOM 887 N PHE A 59 -2.310 7.236 5.798 1.00 0.00 N ATOM 888 CA PHE A 59 -2.604 8.549 5.236 1.00 0.00 C ATOM 889 C PHE A 59 -2.146 9.659 6.178 1.00 0.00 C ATOM 890 O PHE A 59 -1.585 9.393 7.242 1.00 0.00 O ATOM 891 CB PHE A 59 -4.103 8.685 4.961 1.00 0.00 C ATOM 892 CG PHE A 59 -4.961 7.908 5.918 1.00 0.00 C ATOM 893 CD1 PHE A 59 -4.969 6.523 5.896 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.760 8.564 6.841 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.758 5.807 6.775 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.552 7.853 7.723 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.550 6.472 7.691 1.00 0.00 C ATOM 0 H PHE A 59 -2.491 7.155 6.799 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.059 8.645 4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.379 9.738 5.011 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.310 8.349 3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.351 5.997 5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.764 9.644 6.872 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.756 4.727 6.746 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.172 8.376 8.436 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.166 5.914 8.380 1.00 0.00 H new ATOM 907 N ARG A 60 -2.388 10.903 5.779 1.00 0.00 N ATOM 908 CA ARG A 60 -2.000 12.053 6.586 1.00 0.00 C ATOM 909 C ARG A 60 -3.225 12.850 7.023 1.00 0.00 C ATOM 910 O ARG A 60 -4.010 13.307 6.192 1.00 0.00 O ATOM 911 CB ARG A 60 -1.046 12.955 5.800 1.00 0.00 C ATOM 912 CG ARG A 60 -0.821 14.313 6.445 1.00 0.00 C ATOM 913 CD ARG A 60 0.406 15.005 5.873 1.00 0.00 C ATOM 914 NE ARG A 60 0.354 16.453 6.057 1.00 0.00 N ATOM 915 CZ ARG A 60 1.431 17.229 6.095 1.00 0.00 C ATOM 916 NH1 ARG A 60 2.639 16.698 5.961 1.00 0.00 N ATOM 917 NH2 ARG A 60 1.302 18.538 6.265 1.00 0.00 N ATOM 0 H ARG A 60 -2.851 11.140 4.902 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.491 11.685 7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.086 12.449 5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.442 13.101 4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.699 14.940 6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.702 14.190 7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.301 14.611 6.353 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.488 14.777 4.810 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.560 16.893 6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.742 15.692 5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.465 17.296 5.990 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.375 18.950 6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.130 19.133 6.294 1.00 0.00 H new ATOM 931 N ALA A 61 -3.383 13.012 8.332 1.00 0.00 N ATOM 932 CA ALA A 61 -4.512 13.754 8.880 1.00 0.00 C ATOM 933 C ALA A 61 -4.044 15.018 9.592 1.00 0.00 C ATOM 934 O ALA A 61 -3.355 14.950 10.609 1.00 0.00 O ATOM 935 CB ALA A 61 -5.310 12.875 9.831 1.00 0.00 C ATOM 0 H ALA A 61 -2.743 12.639 9.033 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.155 14.052 8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.150 13.442 10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.684 12.004 9.294 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.668 12.548 10.649 1.00 0.00 H new ATOM 941 N ARG A 62 -4.424 16.171 9.050 1.00 0.00 N ATOM 942 CA ARG A 62 -4.041 17.452 9.633 1.00 0.00 C ATOM 943 C ARG A 62 -2.620 17.394 10.187 1.00 0.00 C ATOM 944 O ARG A 62 -2.369 17.797 11.322 1.00 0.00 O ATOM 945 CB ARG A 62 -5.017 17.843 10.744 1.00 0.00 C ATOM 946 CG ARG A 62 -6.437 18.076 10.253 1.00 0.00 C ATOM 947 CD ARG A 62 -7.173 19.075 11.131 1.00 0.00 C ATOM 948 NE ARG A 62 -7.847 18.426 12.252 1.00 0.00 N ATOM 949 CZ ARG A 62 -8.892 17.619 12.114 1.00 0.00 C ATOM 950 NH1 ARG A 62 -9.381 17.361 10.909 1.00 0.00 N ATOM 951 NH2 ARG A 62 -9.451 17.065 13.183 1.00 0.00 N ATOM 0 H ARG A 62 -4.996 16.244 8.209 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.076 18.206 8.846 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.027 17.058 11.500 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.656 18.749 11.230 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.413 18.441 9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.979 17.131 10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.467 19.813 11.511 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.906 19.614 10.531 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.495 18.602 13.193 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.954 17.783 10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.184 16.740 10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.078 17.259 14.112 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.254 16.445 13.075 1.00 0.00 H new ATOM 965 N GLY A 63 -1.695 16.888 9.378 1.00 0.00 N ATOM 966 CA GLY A 63 -0.311 16.786 9.804 1.00 0.00 C ATOM 967 C GLY A 63 0.025 15.416 10.358 1.00 0.00 C ATOM 968 O GLY A 63 1.078 14.855 10.052 1.00 0.00 O ATOM 0 H GLY A 63 -1.879 16.547 8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.343 17.003 8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.111 17.541 10.564 1.00 0.00 H new ATOM 972 N LYS A 64 -0.871 14.874 11.177 1.00 0.00 N ATOM 973 CA LYS A 64 -0.665 13.561 11.775 1.00 0.00 C ATOM 974 C LYS A 64 -0.721 12.465 10.716 1.00 0.00 C ATOM 975 O LYS A 64 -0.850 12.745 9.524 1.00 0.00 O ATOM 976 CB LYS A 64 -1.719 13.298 12.853 1.00 0.00 C ATOM 977 CG LYS A 64 -1.417 13.975 14.178 1.00 0.00 C ATOM 978 CD LYS A 64 -2.157 13.309 15.326 1.00 0.00 C ATOM 979 CE LYS A 64 -1.613 13.756 16.674 1.00 0.00 C ATOM 980 NZ LYS A 64 -2.341 13.118 17.806 1.00 0.00 N ATOM 0 H LYS A 64 -1.747 15.325 11.441 1.00 0.00 H new ATOM 0 HA LYS A 64 0.324 13.549 12.232 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.689 13.641 12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.801 12.223 13.014 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.344 13.943 14.368 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.699 15.026 14.123 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.219 13.548 15.263 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.069 12.226 15.238 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.553 13.508 16.738 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.692 14.840 16.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.940 13.449 18.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.348 13.375 17.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.244 12.084 17.743 1.00 0.00 H new ATOM 994 N VAL A 65 -0.625 11.215 11.158 1.00 0.00 N ATOM 995 CA VAL A 65 -0.668 10.076 10.248 1.00 0.00 C ATOM 996 C VAL A 65 -1.411 8.901 10.873 1.00 0.00 C ATOM 997 O VAL A 65 -0.968 8.331 11.870 1.00 0.00 O ATOM 998 CB VAL A 65 0.750 9.621 9.852 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.685 8.403 8.943 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.505 10.758 9.181 1.00 0.00 C ATOM 0 H VAL A 65 -0.517 10.965 12.141 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.199 10.404 9.355 1.00 0.00 H new ATOM 0 HB VAL A 65 1.290 9.341 10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.695 8.096 8.674 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.184 7.587 9.464 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.129 8.653 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.505 10.420 8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.970 11.071 8.284 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.582 11.600 9.869 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.544 8.542 10.279 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.351 7.433 10.775 1.00 0.00 C ATOM 1012 C LYS A 66 -3.165 6.194 9.905 1.00 0.00 C ATOM 1013 O LYS A 66 -2.471 6.236 8.888 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.829 7.827 10.812 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.102 9.090 11.610 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.362 8.779 13.074 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.325 10.039 13.926 1.00 0.00 C ATOM 1018 NZ LYS A 66 -5.093 9.729 15.364 1.00 0.00 N ATOM 0 H LYS A 66 -2.925 9.003 9.453 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.019 7.198 11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.184 7.968 9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.405 7.006 11.239 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.251 9.766 11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.963 9.609 11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.334 8.297 13.178 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.615 8.072 13.435 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.536 10.699 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.266 10.578 13.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.074 10.613 15.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.859 9.120 15.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.183 9.237 15.471 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.791 5.093 10.309 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.696 3.843 9.564 1.00 0.00 C ATOM 1034 C HIS A 67 -5.005 3.063 9.643 1.00 0.00 C ATOM 1035 O HIS A 67 -5.697 3.094 10.661 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.548 2.990 10.103 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.336 3.785 10.479 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -1.174 4.776 11.387 1.00 0.00 N flip ATOM 1039 CD2 HIS A 67 -0.102 3.600 9.893 1.00 0.00 C flip ATOM 1040 CE1 HIS A 67 0.142 5.166 11.335 1.00 0.00 C flip ATOM 1041 NE2 HIS A 67 0.767 4.440 10.426 1.00 0.00 N flip ATOM 0 H HIS A 67 -4.369 5.041 11.148 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.500 4.085 8.519 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.895 2.438 10.976 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.270 2.253 9.350 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.895 5.161 11.997 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.120 2.880 9.119 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.592 5.940 11.939 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.339 2.366 8.563 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.566 1.579 8.509 1.00 0.00 C ATOM 1052 C CYS A 68 -6.289 0.175 7.982 1.00 0.00 C ATOM 1053 O CYS A 68 -6.432 -0.091 6.789 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.603 2.273 7.625 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.290 1.661 7.845 1.00 0.00 S ATOM 0 H CYS A 68 -4.777 2.330 7.712 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.960 1.496 9.522 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.586 3.342 7.835 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.316 2.148 6.581 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.094 2.311 7.056 1.00 0.00 H new ATOM 1061 N ARG A 69 -5.890 -0.720 8.880 1.00 0.00 N ATOM 1062 CA ARG A 69 -5.589 -2.097 8.505 1.00 0.00 C ATOM 1063 C ARG A 69 -6.631 -2.634 7.529 1.00 0.00 C ATOM 1064 O ARG A 69 -7.792 -2.224 7.557 1.00 0.00 O ATOM 1065 CB ARG A 69 -5.534 -2.986 9.749 1.00 0.00 C ATOM 1066 CG ARG A 69 -4.562 -4.147 9.625 1.00 0.00 C ATOM 1067 CD ARG A 69 -5.029 -5.353 10.426 1.00 0.00 C ATOM 1068 NE ARG A 69 -4.487 -5.352 11.782 1.00 0.00 N ATOM 1069 CZ ARG A 69 -5.060 -4.724 12.802 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -6.187 -4.049 12.621 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -4.507 -4.770 14.007 1.00 0.00 N ATOM 0 H ARG A 69 -5.768 -0.517 9.872 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.616 -2.110 8.014 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.252 -2.377 10.608 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.531 -3.378 9.950 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.457 -4.424 8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.577 -3.837 9.973 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.118 -5.359 10.471 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.726 -6.267 9.915 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.621 -5.862 11.955 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.616 -4.011 11.696 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.625 -3.568 13.406 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.640 -5.288 14.151 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.948 -4.287 14.789 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.208 -3.552 6.666 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.105 -4.145 5.682 1.00 0.00 C ATOM 1087 C ILE A 70 -6.986 -5.665 5.675 1.00 0.00 C ATOM 1088 O ILE A 70 -5.883 -6.211 5.690 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.817 -3.612 4.265 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.927 -2.086 4.239 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.775 -4.235 3.261 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -6.079 -1.438 3.167 1.00 0.00 C ATOM 0 H ILE A 70 -5.250 -3.901 6.628 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.118 -3.864 5.969 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.800 -3.889 3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.969 -1.807 4.084 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.633 -1.692 5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.560 -3.849 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.652 -5.318 3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.800 -3.985 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.206 -0.356 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.031 -1.686 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.388 -1.804 2.188 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.129 -6.343 5.651 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.153 -7.801 5.641 1.00 0.00 C ATOM 1106 C ASN A 71 -8.793 -8.325 4.359 1.00 0.00 C ATOM 1107 O ASN A 71 -9.193 -7.550 3.490 1.00 0.00 O ATOM 1108 CB ASN A 71 -8.915 -8.328 6.858 1.00 0.00 C ATOM 1109 CG ASN A 71 -10.406 -8.441 6.602 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -10.845 -9.231 5.765 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -11.192 -7.650 7.322 1.00 0.00 N ATOM 0 H ASN A 71 -9.051 -5.906 5.638 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.124 -8.157 5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.521 -9.306 7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.744 -7.665 7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.203 -7.682 7.193 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.785 -7.011 8.004 1.00 0.00 H new ATOM 1118 N ARG A 72 -8.888 -9.646 4.249 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.479 -10.275 3.074 1.00 0.00 C ATOM 1120 C ARG A 72 -10.478 -11.355 3.480 1.00 0.00 C ATOM 1121 O ARG A 72 -10.198 -12.177 4.353 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.388 -10.880 2.189 1.00 0.00 C ATOM 1123 CG ARG A 72 -7.882 -9.934 1.113 1.00 0.00 C ATOM 1124 CD ARG A 72 -6.458 -10.271 0.700 1.00 0.00 C ATOM 1125 NE ARG A 72 -6.333 -11.652 0.241 1.00 0.00 N ATOM 1126 CZ ARG A 72 -5.172 -12.228 -0.049 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -4.041 -11.546 0.072 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -5.140 -13.489 -0.461 1.00 0.00 N ATOM 0 H ARG A 72 -8.563 -10.302 4.960 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.009 -9.507 2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.550 -11.184 2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.775 -11.782 1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.537 -9.987 0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.923 -8.909 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.141 -9.595 -0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.788 -10.107 1.544 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.184 -12.204 0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.061 -10.577 0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.151 -11.991 -0.151 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.008 -14.017 -0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.248 -13.930 -0.683 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.642 -11.347 2.840 1.00 0.00 N ATOM 1143 CA ASP A 73 -12.682 -12.326 3.134 1.00 0.00 C ATOM 1144 C ASP A 73 -12.652 -13.470 2.125 1.00 0.00 C ATOM 1145 O ASP A 73 -13.579 -14.276 2.057 1.00 0.00 O ATOM 1146 CB ASP A 73 -14.058 -11.659 3.126 1.00 0.00 C ATOM 1147 CG ASP A 73 -15.183 -12.649 3.354 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -15.506 -12.920 4.530 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -15.742 -13.151 2.357 1.00 0.00 O ATOM 0 H ASP A 73 -11.889 -10.674 2.115 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.491 -12.735 4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.091 -10.892 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.209 -11.156 2.171 1.00 0.00 H new ATOM 1154 N GLY A 74 -11.580 -13.533 1.341 1.00 0.00 N ATOM 1155 CA GLY A 74 -11.450 -14.580 0.344 1.00 0.00 C ATOM 1156 C GLY A 74 -11.156 -14.032 -1.038 1.00 0.00 C ATOM 1157 O GLY A 74 -10.044 -14.176 -1.547 1.00 0.00 O ATOM 0 H GLY A 74 -10.799 -12.878 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.651 -15.261 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.370 -15.163 0.312 1.00 0.00 H new ATOM 1161 N ARG A 75 -12.155 -13.403 -1.648 1.00 0.00 N ATOM 1162 CA ARG A 75 -11.998 -12.834 -2.982 1.00 0.00 C ATOM 1163 C ARG A 75 -12.228 -11.325 -2.959 1.00 0.00 C ATOM 1164 O ARG A 75 -11.892 -10.621 -3.912 1.00 0.00 O ATOM 1165 CB ARG A 75 -12.972 -13.495 -3.959 1.00 0.00 C ATOM 1166 CG ARG A 75 -13.083 -12.771 -5.291 1.00 0.00 C ATOM 1167 CD ARG A 75 -13.753 -13.641 -6.343 1.00 0.00 C ATOM 1168 NE ARG A 75 -13.004 -14.869 -6.597 1.00 0.00 N ATOM 1169 CZ ARG A 75 -13.304 -15.725 -7.567 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -14.332 -15.489 -8.370 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -12.574 -16.821 -7.736 1.00 0.00 N ATOM 0 H ARG A 75 -13.081 -13.274 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.977 -13.024 -3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.653 -14.522 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.959 -13.544 -3.498 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.654 -11.852 -5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.089 -12.483 -5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.762 -13.893 -6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.850 -13.077 -7.271 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.207 -15.081 -5.997 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.895 -14.648 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.560 -16.148 -9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.782 -17.006 -7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.805 -17.478 -8.481 1.00 0.00 H new ATOM 1185 N HIS A 76 -12.804 -10.836 -1.866 1.00 0.00 N ATOM 1186 CA HIS A 76 -13.079 -9.411 -1.720 1.00 0.00 C ATOM 1187 C HIS A 76 -12.271 -8.817 -0.570 1.00 0.00 C ATOM 1188 O HIS A 76 -12.091 -9.452 0.469 1.00 0.00 O ATOM 1189 CB HIS A 76 -14.571 -9.179 -1.482 1.00 0.00 C ATOM 1190 CG HIS A 76 -15.437 -9.647 -2.612 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -16.475 -10.539 -2.444 1.00 0.00 N ATOM 1192 CD2 HIS A 76 -15.415 -9.341 -3.930 1.00 0.00 C ATOM 1193 CE1 HIS A 76 -17.053 -10.762 -3.611 1.00 0.00 C ATOM 1194 NE2 HIS A 76 -16.429 -10.047 -4.529 1.00 0.00 N ATOM 0 H HIS A 76 -13.089 -11.405 -1.069 1.00 0.00 H new ATOM 0 HA HIS A 76 -12.784 -8.913 -2.644 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.869 -9.694 -0.569 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -14.744 -8.115 -1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.728 -8.667 -4.420 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.893 -11.418 -3.785 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -16.662 -10.023 -5.522 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.786 -7.595 -0.763 1.00 0.00 N ATOM 1204 CA PHE A 77 -10.995 -6.916 0.257 1.00 0.00 C ATOM 1205 C PHE A 77 -11.899 -6.230 1.278 1.00 0.00 C ATOM 1206 O PHE A 77 -12.921 -5.644 0.924 1.00 0.00 O ATOM 1207 CB PHE A 77 -10.064 -5.887 -0.389 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.766 -6.472 -0.868 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -8.735 -7.323 -1.961 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.576 -6.170 -0.225 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -7.542 -7.862 -2.404 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.380 -6.705 -0.664 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.363 -7.553 -1.754 1.00 0.00 C ATOM 0 H PHE A 77 -11.927 -7.054 -1.616 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.394 -7.665 0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.577 -5.423 -1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.853 -5.096 0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -9.654 -7.568 -2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.584 -5.509 0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -7.532 -8.524 -3.257 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.459 -6.460 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.430 -7.974 -2.098 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.513 -6.309 2.548 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.286 -5.696 3.621 1.00 0.00 C ATOM 1225 C VAL A 78 -11.499 -4.580 4.298 1.00 0.00 C ATOM 1226 O VAL A 78 -10.461 -4.824 4.916 1.00 0.00 O ATOM 1227 CB VAL A 78 -12.697 -6.735 4.681 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -13.268 -6.047 5.911 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -13.699 -7.721 4.099 1.00 0.00 C ATOM 0 H VAL A 78 -10.670 -6.792 2.858 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.184 -5.278 3.165 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.809 -7.289 4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -13.553 -6.797 6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.516 -5.384 6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.145 -5.465 5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.979 -8.448 4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.587 -7.184 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.250 -8.239 3.251 1.00 0.00 H new ATOM 1239 N LEU A 79 -11.998 -3.355 4.179 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.341 -2.199 4.781 1.00 0.00 C ATOM 1241 C LEU A 79 -11.898 -1.920 6.173 1.00 0.00 C ATOM 1242 O LEU A 79 -11.215 -2.118 7.177 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.518 -0.967 3.892 1.00 0.00 C ATOM 1244 CG LEU A 79 -10.537 0.181 4.132 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -9.304 0.020 3.257 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -11.209 1.520 3.869 1.00 0.00 C ATOM 0 H LEU A 79 -12.855 -3.136 3.671 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.278 -2.423 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.433 -1.280 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.531 -0.588 4.029 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.223 0.154 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.617 0.846 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.810 -0.922 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.600 0.021 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.496 2.326 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.552 1.558 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.061 1.637 4.538 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.145 -1.461 6.225 1.00 0.00 N ATOM 1259 CA GLY A 80 -13.773 -1.164 7.499 1.00 0.00 C ATOM 1260 C GLY A 80 -14.685 -2.280 7.970 1.00 0.00 C ATOM 1261 O GLY A 80 -14.220 -3.363 8.327 1.00 0.00 O ATOM 0 H GLY A 80 -13.731 -1.290 5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.002 -0.989 8.249 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.348 -0.242 7.411 1.00 0.00 H new ATOM 1265 N THR A 81 -15.988 -2.016 7.974 1.00 0.00 N ATOM 1266 CA THR A 81 -16.967 -3.005 8.407 1.00 0.00 C ATOM 1267 C THR A 81 -17.729 -3.581 7.219 1.00 0.00 C ATOM 1268 O THR A 81 -17.907 -4.794 7.112 1.00 0.00 O ATOM 1269 CB THR A 81 -17.972 -2.401 9.404 1.00 0.00 C ATOM 1270 OG1 THR A 81 -18.850 -3.420 9.894 1.00 0.00 O ATOM 1271 CG2 THR A 81 -18.787 -1.295 8.749 1.00 0.00 C ATOM 0 H THR A 81 -16.390 -1.125 7.682 1.00 0.00 H new ATOM 0 HA THR A 81 -16.413 -3.803 8.901 1.00 0.00 H new ATOM 0 HB THR A 81 -17.412 -1.974 10.236 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.485 -3.027 10.529 1.00 0.00 H new ATOM 0 HG21 THR A 81 -19.490 -0.884 9.473 1.00 0.00 H new ATOM 0 HG22 THR A 81 -18.119 -0.506 8.404 1.00 0.00 H new ATOM 0 HG23 THR A 81 -19.337 -1.702 7.900 1.00 0.00 H new ATOM 1279 N SER A 82 -18.178 -2.702 6.328 1.00 0.00 N ATOM 1280 CA SER A 82 -18.925 -3.123 5.149 1.00 0.00 C ATOM 1281 C SER A 82 -18.329 -2.516 3.882 1.00 0.00 C ATOM 1282 O SER A 82 -18.830 -1.519 3.363 1.00 0.00 O ATOM 1283 CB SER A 82 -20.395 -2.719 5.279 1.00 0.00 C ATOM 1284 OG SER A 82 -21.067 -2.835 4.037 1.00 0.00 O ATOM 0 H SER A 82 -18.037 -1.694 6.401 1.00 0.00 H new ATOM 0 HA SER A 82 -18.859 -4.209 5.077 1.00 0.00 H new ATOM 0 HB2 SER A 82 -20.884 -3.350 6.021 1.00 0.00 H new ATOM 0 HB3 SER A 82 -20.463 -1.692 5.638 1.00 0.00 H new ATOM 0 HG SER A 82 -20.729 -2.155 3.418 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.254 -3.125 3.391 1.00 0.00 N ATOM 1291 CA ALA A 83 -16.590 -2.647 2.185 1.00 0.00 C ATOM 1292 C ALA A 83 -15.920 -3.794 1.436 1.00 0.00 C ATOM 1293 O ALA A 83 -14.891 -4.313 1.870 1.00 0.00 O ATOM 1294 CB ALA A 83 -15.569 -1.574 2.535 1.00 0.00 C ATOM 0 H ALA A 83 -16.825 -3.950 3.810 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.346 -2.214 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.081 -1.226 1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.072 -0.737 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.822 -1.989 3.212 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.509 -4.184 0.312 1.00 0.00 N ATOM 1301 CA TYR A 84 -15.970 -5.272 -0.496 1.00 0.00 C ATOM 1302 C TYR A 84 -15.542 -4.769 -1.871 1.00 0.00 C ATOM 1303 O TYR A 84 -16.298 -4.079 -2.555 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.008 -6.385 -0.647 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.026 -7.358 0.511 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -16.996 -6.906 1.824 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -17.073 -8.729 0.291 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -17.012 -7.791 2.885 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -17.091 -9.621 1.345 1.00 0.00 C ATOM 1310 CZ TYR A 84 -17.059 -9.147 2.640 1.00 0.00 C ATOM 1311 OH TYR A 84 -17.076 -10.032 3.694 1.00 0.00 O ATOM 0 H TYR A 84 -17.360 -3.763 -0.061 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.093 -5.670 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -17.996 -5.937 -0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.809 -6.933 -1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -16.960 -5.844 2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -17.096 -9.104 -0.722 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.988 -7.423 3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.130 -10.684 1.156 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.349 -10.917 3.374 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.325 -5.122 -2.271 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.795 -4.707 -3.564 1.00 0.00 C ATOM 1323 C PHE A 85 -12.983 -5.830 -4.204 1.00 0.00 C ATOM 1324 O PHE A 85 -12.028 -6.333 -3.614 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.924 -3.459 -3.406 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.687 -2.251 -2.943 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.007 -2.088 -1.605 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -14.084 -1.278 -3.846 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.708 -0.978 -1.175 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.785 -0.165 -3.422 1.00 0.00 C ATOM 1331 CZ PHE A 85 -15.099 -0.015 -2.086 1.00 0.00 C ATOM 0 H PHE A 85 -13.687 -5.695 -1.718 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.637 -4.473 -4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.126 -3.670 -2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.448 -3.235 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.705 -2.838 -0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.843 -1.391 -4.893 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.950 -0.863 -0.129 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.087 0.587 -4.136 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.649 0.853 -1.753 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.371 -6.216 -5.416 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.680 -7.280 -6.135 1.00 0.00 C ATOM 1343 C GLU A 86 -11.167 -7.117 -6.026 1.00 0.00 C ATOM 1344 O GLU A 86 -10.430 -8.100 -5.947 1.00 0.00 O ATOM 1345 CB GLU A 86 -13.099 -7.286 -7.607 1.00 0.00 C ATOM 1346 CG GLU A 86 -13.026 -8.658 -8.255 1.00 0.00 C ATOM 1347 CD GLU A 86 -11.642 -8.979 -8.787 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -11.322 -8.538 -9.911 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -10.880 -9.670 -8.080 1.00 0.00 O ATOM 0 H GLU A 86 -14.159 -5.808 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.959 -8.231 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.119 -6.909 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.460 -6.598 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.316 -9.416 -7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.746 -8.709 -9.072 1.00 0.00 H new ATOM 1356 N SER A 87 -10.711 -5.868 -6.024 1.00 0.00 N ATOM 1357 CA SER A 87 -9.286 -5.575 -5.930 1.00 0.00 C ATOM 1358 C SER A 87 -9.054 -4.200 -5.310 1.00 0.00 C ATOM 1359 O SER A 87 -9.795 -3.253 -5.577 1.00 0.00 O ATOM 1360 CB SER A 87 -8.637 -5.640 -7.314 1.00 0.00 C ATOM 1361 OG SER A 87 -9.344 -4.839 -8.245 1.00 0.00 O ATOM 0 H SER A 87 -11.308 -5.043 -6.086 1.00 0.00 H new ATOM 0 HA SER A 87 -8.828 -6.326 -5.287 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.602 -5.303 -7.251 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.615 -6.673 -7.661 1.00 0.00 H new ATOM 0 HG SER A 87 -8.909 -4.895 -9.122 1.00 0.00 H new ATOM 1367 N LEU A 88 -8.020 -4.098 -4.482 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.689 -2.840 -3.823 1.00 0.00 C ATOM 1369 C LEU A 88 -7.780 -1.673 -4.801 1.00 0.00 C ATOM 1370 O LEU A 88 -8.161 -0.563 -4.427 1.00 0.00 O ATOM 1371 CB LEU A 88 -6.282 -2.909 -3.225 1.00 0.00 C ATOM 1372 CG LEU A 88 -6.129 -3.768 -1.970 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.665 -4.103 -1.727 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.722 -3.058 -0.762 1.00 0.00 C ATOM 0 H LEU A 88 -7.397 -4.872 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.410 -2.677 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.603 -3.291 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.959 -1.895 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.674 -4.700 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.576 -4.715 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.271 -4.653 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.098 -3.181 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.604 -3.684 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.206 -2.111 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.782 -2.870 -0.935 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.431 -1.931 -6.058 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.477 -0.904 -7.091 1.00 0.00 C ATOM 1388 C VAL A 89 -8.820 -0.182 -7.088 1.00 0.00 C ATOM 1389 O VAL A 89 -8.875 1.048 -7.096 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.231 -1.502 -8.489 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.251 -0.410 -9.548 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.914 -2.261 -8.518 1.00 0.00 C ATOM 0 H VAL A 89 -7.113 -2.843 -6.385 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.684 -0.191 -6.865 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.034 -2.205 -8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.075 -0.851 -10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.222 0.085 -9.541 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.470 0.319 -9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.756 -2.677 -9.513 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.097 -1.582 -8.275 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.944 -3.069 -7.787 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.902 -0.955 -7.077 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.245 -0.388 -7.074 1.00 0.00 C ATOM 1404 C GLU A 90 -11.502 0.395 -5.790 1.00 0.00 C ATOM 1405 O GLU A 90 -12.017 1.514 -5.824 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.290 -1.495 -7.227 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.420 -2.017 -8.648 1.00 0.00 C ATOM 1408 CD GLU A 90 -13.585 -2.974 -8.814 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -14.658 -2.708 -8.233 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -13.423 -3.988 -9.523 1.00 0.00 O ATOM 0 H GLU A 90 -9.874 -1.975 -7.070 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.325 0.296 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.029 -2.323 -6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.258 -1.117 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.546 -1.176 -9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.497 -2.522 -8.931 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.141 -0.200 -4.659 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.332 0.441 -3.362 1.00 0.00 C ATOM 1419 C LEU A 91 -10.818 1.876 -3.383 1.00 0.00 C ATOM 1420 O LEU A 91 -11.473 2.789 -2.879 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.616 -0.354 -2.268 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.621 0.271 -0.872 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.593 -0.811 0.196 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -9.441 1.217 -0.707 1.00 0.00 C ATOM 0 H LEU A 91 -10.714 -1.125 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.401 0.461 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.075 -1.341 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.580 -0.503 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.540 0.845 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.597 -0.348 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.471 -1.449 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.691 -1.413 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.461 1.652 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.511 0.666 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.505 2.012 -1.450 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.642 2.070 -3.971 1.00 0.00 N ATOM 1437 CA VAL A 92 -9.041 3.396 -4.061 1.00 0.00 C ATOM 1438 C VAL A 92 -9.846 4.302 -4.985 1.00 0.00 C ATOM 1439 O VAL A 92 -10.127 5.453 -4.652 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.590 3.321 -4.571 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -6.942 4.696 -4.542 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.786 2.327 -3.745 1.00 0.00 C ATOM 0 H VAL A 92 -9.086 1.326 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.043 3.814 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.604 2.974 -5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.917 4.623 -4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.506 5.377 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.938 5.075 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.763 2.287 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.779 2.643 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.240 1.339 -3.822 1.00 0.00 H new ATOM 1452 N SER A 93 -10.215 3.775 -6.148 1.00 0.00 N ATOM 1453 CA SER A 93 -10.986 4.538 -7.123 1.00 0.00 C ATOM 1454 C SER A 93 -12.373 4.870 -6.580 1.00 0.00 C ATOM 1455 O SER A 93 -13.078 5.720 -7.124 1.00 0.00 O ATOM 1456 CB SER A 93 -11.112 3.755 -8.431 1.00 0.00 C ATOM 1457 OG SER A 93 -11.387 4.619 -9.519 1.00 0.00 O ATOM 0 H SER A 93 -9.993 2.823 -6.438 1.00 0.00 H new ATOM 0 HA SER A 93 -10.458 5.472 -7.316 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.188 3.208 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.907 3.015 -8.340 1.00 0.00 H new ATOM 0 HG SER A 93 -12.032 5.302 -9.239 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.757 4.192 -5.504 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.060 4.412 -4.888 1.00 0.00 C ATOM 1465 C TYR A 94 -13.962 5.430 -3.756 1.00 0.00 C ATOM 1466 O TYR A 94 -14.632 6.464 -3.776 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.624 3.093 -4.355 1.00 0.00 C ATOM 1468 CG TYR A 94 -15.958 3.243 -3.660 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -17.142 3.287 -4.386 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -16.035 3.339 -2.276 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -18.363 3.425 -3.755 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -17.252 3.475 -1.636 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.413 3.518 -2.380 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.627 3.653 -1.747 1.00 0.00 O ATOM 0 H TYR A 94 -12.185 3.486 -5.041 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.732 4.806 -5.650 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.732 2.392 -5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -13.908 2.656 -3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -17.107 3.212 -5.463 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -15.128 3.307 -1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.273 3.460 -4.335 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -17.294 3.547 -0.559 1.00 0.00 H new ATOM 0 HH TYR A 94 -19.487 3.704 -0.778 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.123 5.131 -2.771 1.00 0.00 N ATOM 1485 CA TYR A 95 -12.938 6.019 -1.629 1.00 0.00 C ATOM 1486 C TYR A 95 -12.457 7.394 -2.080 1.00 0.00 C ATOM 1487 O TYR A 95 -12.663 8.393 -1.391 1.00 0.00 O ATOM 1488 CB TYR A 95 -11.937 5.414 -0.643 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.579 4.539 0.410 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.120 5.091 1.564 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -12.641 3.160 0.252 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.707 4.295 2.530 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -13.227 2.357 1.211 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.758 2.929 2.348 1.00 0.00 C ATOM 1495 OH TYR A 95 -14.341 2.132 3.307 1.00 0.00 O ATOM 0 H TYR A 95 -12.560 4.281 -2.740 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.901 6.136 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.205 4.825 -1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.392 6.220 -0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.081 6.160 1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -12.224 2.708 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -14.123 4.740 3.422 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -13.269 1.287 1.071 1.00 0.00 H new ATOM 0 HH TYR A 95 -14.296 1.195 3.025 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.814 7.437 -3.243 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.302 8.689 -3.787 1.00 0.00 C ATOM 1507 C GLU A 96 -12.335 9.804 -3.650 1.00 0.00 C ATOM 1508 O GLU A 96 -11.996 10.945 -3.336 1.00 0.00 O ATOM 1509 CB GLU A 96 -10.918 8.513 -5.258 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.475 8.082 -5.463 1.00 0.00 C ATOM 1511 CD GLU A 96 -8.527 9.258 -5.585 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -8.915 10.271 -6.204 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -7.397 9.167 -5.061 1.00 0.00 O ATOM 0 H GLU A 96 -11.635 6.619 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.415 8.967 -3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.577 7.773 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.086 9.453 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.165 7.455 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.407 7.470 -6.363 1.00 0.00 H new ATOM 1520 N LYS A 97 -13.597 9.465 -3.888 1.00 0.00 N ATOM 1521 CA LYS A 97 -14.682 10.435 -3.791 1.00 0.00 C ATOM 1522 C LYS A 97 -15.206 10.525 -2.362 1.00 0.00 C ATOM 1523 O LYS A 97 -15.331 11.615 -1.803 1.00 0.00 O ATOM 1524 CB LYS A 97 -15.820 10.055 -4.741 1.00 0.00 C ATOM 1525 CG LYS A 97 -15.470 10.223 -6.209 1.00 0.00 C ATOM 1526 CD LYS A 97 -14.667 9.043 -6.730 1.00 0.00 C ATOM 1527 CE LYS A 97 -15.553 7.831 -6.974 1.00 0.00 C ATOM 1528 NZ LYS A 97 -16.408 8.004 -8.182 1.00 0.00 N ATOM 0 H LYS A 97 -13.894 8.525 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.290 11.411 -4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.102 9.018 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.692 10.667 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.385 10.327 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.899 11.141 -6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -14.167 9.323 -7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.887 8.787 -6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.931 6.944 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.185 7.662 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.829 7.090 -8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.164 8.688 -7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.828 8.356 -8.970 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.509 9.371 -1.774 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.018 9.320 -0.408 1.00 0.00 C ATOM 1544 C HIS A 98 -14.871 9.268 0.597 1.00 0.00 C ATOM 1545 O HIS A 98 -14.049 8.353 0.568 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.927 8.104 -0.226 1.00 0.00 C ATOM 1547 CG HIS A 98 -18.277 8.266 -0.853 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -19.003 7.209 -1.361 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -19.034 9.370 -1.052 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -20.148 7.657 -1.846 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -20.191 8.965 -1.670 1.00 0.00 N ATOM 0 H HIS A 98 -15.411 8.460 -2.222 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.596 10.226 -0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.439 7.229 -0.655 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.051 7.910 0.839 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.776 10.382 -0.776 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -20.917 7.056 -2.308 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -20.959 9.575 -1.948 1.00 0.00 H new ATOM 1560 N ALA A 99 -14.823 10.256 1.484 1.00 0.00 N ATOM 1561 CA ALA A 99 -13.778 10.322 2.498 1.00 0.00 C ATOM 1562 C ALA A 99 -13.393 8.928 2.980 1.00 0.00 C ATOM 1563 O ALA A 99 -14.203 8.001 2.945 1.00 0.00 O ATOM 1564 CB ALA A 99 -14.233 11.181 3.669 1.00 0.00 C ATOM 0 H ALA A 99 -15.496 11.022 1.521 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.897 10.778 2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.443 11.222 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.452 12.189 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.131 10.748 4.111 1.00 0.00 H new ATOM 1570 N LEU A 100 -12.151 8.785 3.430 1.00 0.00 N ATOM 1571 CA LEU A 100 -11.657 7.503 3.919 1.00 0.00 C ATOM 1572 C LEU A 100 -11.828 7.394 5.431 1.00 0.00 C ATOM 1573 O LEU A 100 -12.480 6.475 5.927 1.00 0.00 O ATOM 1574 CB LEU A 100 -10.183 7.326 3.547 1.00 0.00 C ATOM 1575 CG LEU A 100 -9.376 6.378 4.435 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -9.716 4.930 4.117 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -7.885 6.628 4.264 1.00 0.00 C ATOM 0 H LEU A 100 -11.468 9.541 3.466 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.242 6.713 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.129 6.964 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.704 8.305 3.566 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.640 6.571 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.132 4.270 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.778 4.759 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.481 4.722 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.326 5.945 4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.605 6.462 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.654 7.656 4.543 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.241 8.338 6.157 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.328 8.349 7.612 1.00 0.00 C ATOM 1591 C TYR A 101 -12.343 9.383 8.090 1.00 0.00 C ATOM 1592 O TYR A 101 -13.430 9.036 8.551 1.00 0.00 O ATOM 1593 CB TYR A 101 -9.958 8.642 8.224 1.00 0.00 C ATOM 1594 CG TYR A 101 -10.026 9.138 9.651 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -10.994 8.665 10.527 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.120 10.081 10.123 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -11.060 9.116 11.831 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.177 10.537 11.426 1.00 0.00 C ATOM 1599 CZ TYR A 101 -10.149 10.052 12.276 1.00 0.00 C ATOM 1600 OH TYR A 101 -10.211 10.503 13.574 1.00 0.00 O ATOM 0 H TYR A 101 -10.699 9.106 5.761 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.660 7.363 7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -9.354 7.736 8.192 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.448 9.387 7.613 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -11.708 7.931 10.183 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.358 10.464 9.460 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -11.820 8.738 12.498 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.465 11.269 11.777 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.498 11.158 13.727 1.00 0.00 H new ATOM 1610 N ARG A 102 -11.979 10.656 7.975 1.00 0.00 N ATOM 1611 CA ARG A 102 -12.856 11.743 8.395 1.00 0.00 C ATOM 1612 C ARG A 102 -12.472 13.049 7.706 1.00 0.00 C ATOM 1613 O ARG A 102 -11.300 13.426 7.675 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.796 11.917 9.913 1.00 0.00 C ATOM 1615 CG ARG A 102 -14.086 12.448 10.517 1.00 0.00 C ATOM 1616 CD ARG A 102 -15.173 11.385 10.533 1.00 0.00 C ATOM 1617 NE ARG A 102 -16.363 11.830 11.252 1.00 0.00 N ATOM 1618 CZ ARG A 102 -16.447 11.874 12.577 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -15.415 11.504 13.323 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -17.565 12.291 13.159 1.00 0.00 N ATOM 0 H ARG A 102 -11.083 10.960 7.595 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.875 11.487 8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.559 10.957 10.371 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.982 12.598 10.160 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.898 12.793 11.534 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.428 13.311 9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.443 11.128 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.786 10.478 10.998 1.00 0.00 H new ATOM 0 HE ARG A 102 -17.174 12.123 10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.554 11.185 12.880 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.482 11.539 14.340 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -18.360 12.578 12.589 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -17.628 12.324 14.176 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.466 13.735 7.154 1.00 0.00 N ATOM 1635 CA LYS A 103 -13.234 15.000 6.466 1.00 0.00 C ATOM 1636 C LYS A 103 -11.931 14.957 5.674 1.00 0.00 C ATOM 1637 O LYS A 103 -11.171 15.925 5.659 1.00 0.00 O ATOM 1638 CB LYS A 103 -13.193 16.152 7.472 1.00 0.00 C ATOM 1639 CG LYS A 103 -13.318 17.524 6.832 1.00 0.00 C ATOM 1640 CD LYS A 103 -12.636 18.593 7.668 1.00 0.00 C ATOM 1641 CE LYS A 103 -13.586 19.185 8.698 1.00 0.00 C ATOM 1642 NZ LYS A 103 -13.048 20.441 9.291 1.00 0.00 N ATOM 0 H LYS A 103 -14.441 13.436 7.169 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.057 15.163 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.000 16.022 8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.257 16.104 8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.877 17.503 5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -14.372 17.774 6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -11.771 18.164 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -12.265 19.384 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.549 19.388 8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.764 18.457 9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.724 20.813 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.141 20.243 9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.902 21.145 8.540 1.00 0.00 H new ATOM 1656 N MET A 104 -11.680 13.830 5.016 1.00 0.00 N ATOM 1657 CA MET A 104 -10.470 13.663 4.219 1.00 0.00 C ATOM 1658 C MET A 104 -10.611 12.489 3.256 1.00 0.00 C ATOM 1659 O MET A 104 -10.797 11.347 3.677 1.00 0.00 O ATOM 1660 CB MET A 104 -9.260 13.448 5.130 1.00 0.00 C ATOM 1661 CG MET A 104 -7.932 13.769 4.463 1.00 0.00 C ATOM 1662 SD MET A 104 -7.653 12.797 2.970 1.00 0.00 S ATOM 1663 CE MET A 104 -6.790 11.380 3.646 1.00 0.00 C ATOM 0 H MET A 104 -12.298 13.019 5.019 1.00 0.00 H new ATOM 0 HA MET A 104 -10.320 14.572 3.636 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.370 14.069 6.019 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.248 12.411 5.465 1.00 0.00 H new ATOM 0 HG2 MET A 104 -7.902 14.829 4.213 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.122 13.585 5.168 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.548 10.684 2.843 1.00 0.00 H new ATOM 0 HE2 MET A 104 -5.871 11.710 4.129 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.426 10.882 4.378 1.00 0.00 H new ATOM 1673 N ARG A 105 -10.521 12.777 1.961 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.640 11.745 0.939 1.00 0.00 C ATOM 1675 C ARG A 105 -9.380 11.683 0.080 1.00 0.00 C ATOM 1676 O ARG A 105 -8.835 12.713 -0.318 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.860 12.011 0.055 1.00 0.00 C ATOM 1678 CG ARG A 105 -11.592 12.995 -1.073 1.00 0.00 C ATOM 1679 CD ARG A 105 -12.884 13.459 -1.726 1.00 0.00 C ATOM 1680 NE ARG A 105 -12.734 14.760 -2.373 1.00 0.00 N ATOM 1681 CZ ARG A 105 -12.651 15.906 -1.708 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -12.703 15.913 -0.383 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -12.515 17.050 -2.367 1.00 0.00 N ATOM 0 H ARG A 105 -10.366 13.717 1.596 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.765 10.785 1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.202 11.068 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.671 12.394 0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.050 13.857 -0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.952 12.527 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.202 12.722 -2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.670 13.517 -0.973 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.691 14.790 -3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.807 15.036 0.128 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.639 16.795 0.125 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -12.474 17.050 -3.386 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -12.451 17.929 -1.854 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.923 10.468 -0.202 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.726 10.270 -1.013 1.00 0.00 C ATOM 1699 C LEU A 106 -7.617 11.342 -2.093 1.00 0.00 C ATOM 1700 O LEU A 106 -8.492 11.466 -2.950 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.746 8.883 -1.657 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.089 7.717 -0.728 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -7.736 6.391 -1.384 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -7.367 7.865 0.603 1.00 0.00 C ATOM 0 H LEU A 106 -9.363 9.605 0.119 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.857 10.348 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.467 8.894 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.767 8.695 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.162 7.731 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.987 5.573 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.299 6.282 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.669 6.366 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.623 7.027 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.290 7.877 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.670 8.797 1.079 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.536 12.115 -2.045 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.312 13.176 -3.020 1.00 0.00 C ATOM 1718 C ARG A 107 -5.106 12.860 -3.899 1.00 0.00 C ATOM 1719 O ARG A 107 -5.164 12.996 -5.121 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.103 14.514 -2.309 1.00 0.00 C ATOM 1721 CG ARG A 107 -7.383 15.115 -1.752 1.00 0.00 C ATOM 1722 CD ARG A 107 -7.230 16.604 -1.488 1.00 0.00 C ATOM 1723 NE ARG A 107 -7.255 17.384 -2.722 1.00 0.00 N ATOM 1724 CZ ARG A 107 -8.358 17.606 -3.429 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -9.519 17.109 -3.025 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -8.300 18.326 -4.542 1.00 0.00 N ATOM 0 H ARG A 107 -5.802 12.026 -1.342 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.195 13.244 -3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.392 14.376 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.654 15.220 -3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.199 14.951 -2.455 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.653 14.606 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.032 16.940 -0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.291 16.785 -0.964 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.378 17.780 -3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.567 16.555 -2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.364 17.281 -3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.408 18.709 -4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.147 18.496 -5.084 1.00 0.00 H new ATOM 1740 N TYR A 108 -4.015 12.439 -3.269 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.794 12.107 -3.993 1.00 0.00 C ATOM 1742 C TYR A 108 -2.231 10.768 -3.528 1.00 0.00 C ATOM 1743 O TYR A 108 -1.814 10.605 -2.381 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.747 13.207 -3.802 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.292 14.603 -4.005 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.341 15.173 -5.271 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.758 15.351 -2.931 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -2.836 16.449 -5.461 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.257 16.626 -3.111 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.293 17.171 -4.378 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.789 18.441 -4.563 1.00 0.00 O ATOM 0 H TYR A 108 -3.951 12.320 -2.258 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.041 12.029 -5.052 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.331 13.131 -2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.926 13.041 -4.500 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.986 14.609 -6.121 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.729 14.928 -1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.865 16.879 -6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.617 17.193 -2.265 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.070 18.811 -3.700 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.219 9.784 -4.440 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.709 8.441 -4.148 1.00 0.00 C ATOM 1763 C PRO A 109 -0.196 8.422 -3.963 1.00 0.00 C ATOM 1764 O PRO A 109 0.553 8.201 -4.915 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.107 7.634 -5.386 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.214 8.642 -6.477 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.700 9.907 -5.826 1.00 0.00 C ATOM 0 HA PRO A 109 -2.113 8.045 -3.216 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.361 6.875 -5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.053 7.115 -5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.250 8.798 -6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.908 8.309 -7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.294 10.792 -6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.786 9.989 -5.869 1.00 0.00 H new ATOM 1775 N VAL A 110 0.249 8.656 -2.733 1.00 0.00 N ATOM 1776 CA VAL A 110 1.673 8.665 -2.423 1.00 0.00 C ATOM 1777 C VAL A 110 2.426 7.646 -3.271 1.00 0.00 C ATOM 1778 O VAL A 110 2.098 6.459 -3.274 1.00 0.00 O ATOM 1779 CB VAL A 110 1.926 8.363 -0.934 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.418 8.285 -0.650 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.263 9.414 -0.057 1.00 0.00 C ATOM 0 H VAL A 110 -0.357 8.842 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 110 2.040 9.666 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 110 1.485 7.395 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.576 8.071 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.862 7.492 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 110 3.887 9.236 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.452 9.185 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.673 10.396 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.188 9.415 -0.240 1.00 0.00 H new ATOM 1791 N THR A 111 3.440 8.117 -3.992 1.00 0.00 N ATOM 1792 CA THR A 111 4.240 7.248 -4.845 1.00 0.00 C ATOM 1793 C THR A 111 5.713 7.303 -4.459 1.00 0.00 C ATOM 1794 O THR A 111 6.191 8.276 -3.875 1.00 0.00 O ATOM 1795 CB THR A 111 4.095 7.632 -6.330 1.00 0.00 C ATOM 1796 OG1 THR A 111 4.098 9.057 -6.470 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.811 7.062 -6.914 1.00 0.00 C ATOM 0 H THR A 111 3.726 9.096 -4.001 1.00 0.00 H new ATOM 0 HA THR A 111 3.868 6.234 -4.701 1.00 0.00 H new ATOM 0 HB THR A 111 4.940 7.212 -6.875 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.007 9.293 -7.417 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.731 7.346 -7.963 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.825 5.975 -6.833 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.956 7.456 -6.365 1.00 0.00 H new ATOM 1805 N PRO A 112 6.453 6.235 -4.792 1.00 0.00 N ATOM 1806 CA PRO A 112 7.885 6.139 -4.490 1.00 0.00 C ATOM 1807 C PRO A 112 8.720 7.102 -5.328 1.00 0.00 C ATOM 1808 O PRO A 112 9.897 7.321 -5.047 1.00 0.00 O ATOM 1809 CB PRO A 112 8.225 4.689 -4.844 1.00 0.00 C ATOM 1810 CG PRO A 112 7.205 4.297 -5.857 1.00 0.00 C ATOM 1811 CD PRO A 112 5.950 5.040 -5.490 1.00 0.00 C ATOM 0 HA PRO A 112 8.102 6.402 -3.455 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.235 4.606 -5.246 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.178 4.046 -3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.533 4.559 -6.863 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.038 3.220 -5.846 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.368 5.305 -6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.302 4.443 -4.848 1.00 0.00 H new ATOM 1819 N GLU A 113 8.101 7.674 -6.356 1.00 0.00 N ATOM 1820 CA GLU A 113 8.790 8.613 -7.234 1.00 0.00 C ATOM 1821 C GLU A 113 8.603 10.048 -6.748 1.00 0.00 C ATOM 1822 O GLU A 113 9.399 10.932 -7.068 1.00 0.00 O ATOM 1823 CB GLU A 113 8.274 8.477 -8.668 1.00 0.00 C ATOM 1824 CG GLU A 113 8.618 7.146 -9.315 1.00 0.00 C ATOM 1825 CD GLU A 113 8.251 7.100 -10.786 1.00 0.00 C ATOM 1826 OE1 GLU A 113 7.052 6.936 -11.092 1.00 0.00 O ATOM 1827 OE2 GLU A 113 9.163 7.229 -11.629 1.00 0.00 O ATOM 0 H GLU A 113 7.126 7.504 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 113 9.854 8.376 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 113 7.191 8.603 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.689 9.283 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.686 6.958 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.098 6.345 -8.789 1.00 0.00 H new ATOM 1834 N LEU A 114 7.546 10.272 -5.975 1.00 0.00 N ATOM 1835 CA LEU A 114 7.254 11.599 -5.445 1.00 0.00 C ATOM 1836 C LEU A 114 8.209 11.955 -4.311 1.00 0.00 C ATOM 1837 O LEU A 114 8.744 13.064 -4.260 1.00 0.00 O ATOM 1838 CB LEU A 114 5.808 11.664 -4.949 1.00 0.00 C ATOM 1839 CG LEU A 114 5.218 13.065 -4.782 1.00 0.00 C ATOM 1840 CD1 LEU A 114 3.711 13.037 -4.981 1.00 0.00 C ATOM 1841 CD2 LEU A 114 5.567 13.630 -3.413 1.00 0.00 C ATOM 0 H LEU A 114 6.877 9.552 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 114 7.389 12.322 -6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.181 11.108 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.751 11.151 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 114 5.652 13.714 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.309 14.043 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.483 12.675 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.259 12.373 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.139 14.627 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.162 12.980 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.650 13.687 -3.309 1.00 0.00 H new ATOM 1853 N LEU A 115 8.420 11.008 -3.403 1.00 0.00 N ATOM 1854 CA LEU A 115 9.314 11.221 -2.270 1.00 0.00 C ATOM 1855 C LEU A 115 10.638 11.825 -2.726 1.00 0.00 C ATOM 1856 O LEU A 115 11.162 12.742 -2.095 1.00 0.00 O ATOM 1857 CB LEU A 115 9.567 9.900 -1.540 1.00 0.00 C ATOM 1858 CG LEU A 115 8.591 9.558 -0.414 1.00 0.00 C ATOM 1859 CD1 LEU A 115 8.905 10.375 0.830 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.156 9.793 -0.861 1.00 0.00 C ATOM 0 H LEU A 115 7.985 10.086 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 115 8.834 11.921 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.543 9.093 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.575 9.924 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 115 8.705 8.502 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.200 10.119 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.920 10.156 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.820 11.437 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.476 9.544 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.027 10.840 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.936 9.163 -1.723 1.00 0.00 H new ATOM 1872 N GLU A 116 11.172 11.305 -3.827 1.00 0.00 N ATOM 1873 CA GLU A 116 12.434 11.795 -4.367 1.00 0.00 C ATOM 1874 C GLU A 116 12.233 13.112 -5.113 1.00 0.00 C ATOM 1875 O GLU A 116 13.149 13.928 -5.212 1.00 0.00 O ATOM 1876 CB GLU A 116 13.051 10.755 -5.305 1.00 0.00 C ATOM 1877 CG GLU A 116 13.564 9.518 -4.588 1.00 0.00 C ATOM 1878 CD GLU A 116 14.372 8.610 -5.495 1.00 0.00 C ATOM 1879 OE1 GLU A 116 13.879 8.279 -6.594 1.00 0.00 O ATOM 1880 OE2 GLU A 116 15.497 8.231 -5.107 1.00 0.00 O ATOM 0 H GLU A 116 10.750 10.545 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 116 13.113 11.970 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.306 10.455 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.874 11.215 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.181 9.823 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.719 8.961 -4.182 1.00 0.00 H new ATOM 1887 N ARG A 117 11.027 13.310 -5.635 1.00 0.00 N ATOM 1888 CA ARG A 117 10.705 14.526 -6.373 1.00 0.00 C ATOM 1889 C ARG A 117 10.547 15.711 -5.425 1.00 0.00 C ATOM 1890 O ARG A 117 10.735 16.863 -5.819 1.00 0.00 O ATOM 1891 CB ARG A 117 9.421 14.332 -7.181 1.00 0.00 C ATOM 1892 CG ARG A 117 8.801 15.634 -7.662 1.00 0.00 C ATOM 1893 CD ARG A 117 7.765 15.390 -8.749 1.00 0.00 C ATOM 1894 NE ARG A 117 7.419 16.617 -9.460 1.00 0.00 N ATOM 1895 CZ ARG A 117 6.447 16.694 -10.362 1.00 0.00 C ATOM 1896 NH1 ARG A 117 5.729 15.621 -10.661 1.00 0.00 N ATOM 1897 NH2 ARG A 117 6.192 17.848 -10.967 1.00 0.00 N ATOM 0 H ARG A 117 10.257 12.645 -5.561 1.00 0.00 H new ATOM 0 HA ARG A 117 11.528 14.736 -7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.637 13.702 -8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.694 13.798 -6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.334 16.148 -6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.582 16.291 -8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.149 14.656 -9.458 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.866 14.963 -8.304 1.00 0.00 H new ATOM 0 HE ARG A 117 7.953 17.461 -9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.922 14.733 -10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.983 15.683 -11.354 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.743 18.676 -10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 117 5.446 17.907 -11.660 1.00 0.00 H new ATOM 1911 N TYR A 118 10.202 15.422 -4.176 1.00 0.00 N ATOM 1912 CA TYR A 118 10.016 16.463 -3.173 1.00 0.00 C ATOM 1913 C TYR A 118 11.241 16.575 -2.270 1.00 0.00 C ATOM 1914 O TYR A 118 11.171 17.135 -1.176 1.00 0.00 O ATOM 1915 CB TYR A 118 8.773 16.174 -2.330 1.00 0.00 C ATOM 1916 CG TYR A 118 7.475 16.491 -3.038 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.276 16.125 -4.364 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.447 17.157 -2.381 1.00 0.00 C ATOM 1919 CE1 TYR A 118 6.092 16.414 -5.015 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.259 17.448 -3.024 1.00 0.00 C ATOM 1921 CZ TYR A 118 5.087 17.075 -4.340 1.00 0.00 C ATOM 1922 OH TYR A 118 3.905 17.364 -4.984 1.00 0.00 O ATOM 0 H TYR A 118 10.045 14.474 -3.833 1.00 0.00 H new ATOM 0 HA TYR A 118 9.881 17.412 -3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.774 15.122 -2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.826 16.754 -1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 118 8.060 15.606 -4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.579 17.452 -1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.954 16.124 -6.046 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.470 17.965 -2.498 1.00 0.00 H new ATOM 0 HH TYR A 118 3.302 17.831 -4.368 1.00 0.00 H new ATOM 1932 N SER A 119 12.363 16.038 -2.738 1.00 0.00 N ATOM 1933 CA SER A 119 13.604 16.074 -1.973 1.00 0.00 C ATOM 1934 C SER A 119 13.748 17.399 -1.232 1.00 0.00 C ATOM 1935 O SER A 119 14.052 17.428 -0.040 1.00 0.00 O ATOM 1936 CB SER A 119 14.804 15.861 -2.898 1.00 0.00 C ATOM 1937 OG SER A 119 14.842 16.843 -3.919 1.00 0.00 O ATOM 0 H SER A 119 12.438 15.573 -3.643 1.00 0.00 H new ATOM 0 HA SER A 119 13.572 15.269 -1.239 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.726 15.900 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.750 14.869 -3.346 1.00 0.00 H new ATOM 0 HG SER A 119 15.619 16.686 -4.495 1.00 0.00 H new