USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 875 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 98 HIS : no HD1:sc= -0.018 X(o=-0.018,f=0) 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= -0.797 F(o=-1.6,f=-0.8) USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 34 MET CE :methyl -107:sc= -3.09! (180deg=-4.78!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -1.1 F(o=-2!,f=-1.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 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 53:sc= 0.87 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= -1.18 K(o=-1.2,f=-1.9) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -2.84 F(o=-5!,f=-2.8) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -74:sc= 0.00115 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 93 SER OG : rot -3:sc= 0.307 USER MOD Single : A 95 TYR OH : rot 150:sc= -0.138 USER MOD Single : A 97 LYS NZ :NH3+ -138:sc= -0.115 (180deg=-0.614) 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 -173:sc= -1.43! (180deg=-1.45!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -4.561 -9.456 -9.449 1.00 0.00 N ATOM 151 CA ASN A 14 -3.892 -8.638 -8.444 1.00 0.00 C ATOM 152 C ASN A 14 -3.131 -7.489 -9.098 1.00 0.00 C ATOM 153 O ASN A 14 -1.900 -7.459 -9.121 1.00 0.00 O ATOM 154 CB ASN A 14 -2.931 -9.495 -7.616 1.00 0.00 C ATOM 155 CG ASN A 14 -3.462 -10.896 -7.382 1.00 0.00 C ATOM 156 OD1 ASN A 14 -3.106 -11.834 -8.095 1.00 0.00 O ATOM 157 ND2 ASN A 14 -4.319 -11.043 -6.378 1.00 0.00 N ATOM 0 HA ASN A 14 -4.653 -8.219 -7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.970 -9.554 -8.126 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.753 -9.012 -6.655 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.710 -11.962 -6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.586 -10.237 -5.813 1.00 0.00 H new ATOM 164 N PRO A 15 -3.879 -6.517 -9.641 1.00 0.00 N ATOM 165 CA PRO A 15 -3.296 -5.347 -10.304 1.00 0.00 C ATOM 166 C PRO A 15 -2.612 -4.404 -9.320 1.00 0.00 C ATOM 167 O PRO A 15 -1.725 -3.636 -9.695 1.00 0.00 O ATOM 168 CB PRO A 15 -4.507 -4.664 -10.946 1.00 0.00 C ATOM 169 CG PRO A 15 -5.668 -5.092 -10.117 1.00 0.00 C ATOM 170 CD PRO A 15 -5.351 -6.486 -9.651 1.00 0.00 C ATOM 0 HA PRO A 15 -2.519 -5.626 -11.016 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.397 -3.580 -10.943 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.629 -4.969 -11.985 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.812 -4.421 -9.270 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.590 -5.075 -10.698 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.764 -6.682 -8.661 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.764 -7.238 -10.323 1.00 0.00 H new ATOM 178 N HIS A 16 -3.030 -4.466 -8.060 1.00 0.00 N ATOM 179 CA HIS A 16 -2.456 -3.618 -7.021 1.00 0.00 C ATOM 180 C HIS A 16 -0.963 -3.887 -6.863 1.00 0.00 C ATOM 181 O HIS A 16 -0.221 -3.044 -6.360 1.00 0.00 O ATOM 182 CB HIS A 16 -3.172 -3.851 -5.690 1.00 0.00 C ATOM 183 CG HIS A 16 -3.517 -5.286 -5.439 1.00 0.00 C ATOM 184 ND1 HIS A 16 -4.575 -6.026 -5.844 1.00 0.00 N flip ATOM 185 CD2 HIS A 16 -2.728 -6.129 -4.685 1.00 0.00 C flip ATOM 186 CE1 HIS A 16 -4.407 -7.290 -5.335 1.00 0.00 C flip ATOM 187 NE2 HIS A 16 -3.285 -7.326 -4.639 1.00 0.00 N flip ATOM 0 H HIS A 16 -3.764 -5.094 -7.734 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.590 -2.578 -7.320 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -2.540 -3.491 -4.879 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.086 -3.257 -5.670 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.800 -5.854 -4.207 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.083 -8.120 -5.480 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.912 -8.139 -4.149 1.00 0.00 H new ATOM 196 N GLU A 17 -0.530 -5.068 -7.296 1.00 0.00 N ATOM 197 CA GLU A 17 0.874 -5.448 -7.200 1.00 0.00 C ATOM 198 C GLU A 17 1.730 -4.609 -8.145 1.00 0.00 C ATOM 199 O GLU A 17 2.948 -4.525 -7.987 1.00 0.00 O ATOM 200 CB GLU A 17 1.047 -6.934 -7.522 1.00 0.00 C ATOM 201 CG GLU A 17 0.376 -7.855 -6.517 1.00 0.00 C ATOM 202 CD GLU A 17 0.819 -9.298 -6.663 1.00 0.00 C ATOM 203 OE1 GLU A 17 0.394 -9.954 -7.637 1.00 0.00 O ATOM 204 OE2 GLU A 17 1.591 -9.772 -5.803 1.00 0.00 O ATOM 0 H GLU A 17 -1.131 -5.777 -7.716 1.00 0.00 H new ATOM 0 HA GLU A 17 1.204 -5.265 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.639 -7.133 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.111 -7.167 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.600 -7.510 -5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.705 -7.796 -6.641 1.00 0.00 H new ATOM 211 N SER A 18 1.084 -3.991 -9.128 1.00 0.00 N ATOM 212 CA SER A 18 1.785 -3.162 -10.102 1.00 0.00 C ATOM 213 C SER A 18 1.596 -1.681 -9.791 1.00 0.00 C ATOM 214 O SER A 18 2.493 -0.868 -10.015 1.00 0.00 O ATOM 215 CB SER A 18 1.285 -3.466 -11.516 1.00 0.00 C ATOM 216 OG SER A 18 1.426 -4.843 -11.822 1.00 0.00 O ATOM 0 H SER A 18 0.076 -4.048 -9.271 1.00 0.00 H new ATOM 0 HA SER A 18 2.848 -3.395 -10.042 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.238 -3.176 -11.605 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.843 -2.871 -12.238 1.00 0.00 H new ATOM 0 HG SER A 18 1.098 -5.012 -12.730 1.00 0.00 H new ATOM 222 N LYS A 19 0.421 -1.337 -9.274 1.00 0.00 N ATOM 223 CA LYS A 19 0.112 0.046 -8.930 1.00 0.00 C ATOM 224 C LYS A 19 1.329 0.743 -8.331 1.00 0.00 C ATOM 225 O LYS A 19 2.124 0.144 -7.608 1.00 0.00 O ATOM 226 CB LYS A 19 -1.057 0.099 -7.943 1.00 0.00 C ATOM 227 CG LYS A 19 -2.358 -0.441 -8.511 1.00 0.00 C ATOM 228 CD LYS A 19 -3.022 0.564 -9.437 1.00 0.00 C ATOM 229 CE LYS A 19 -4.441 0.145 -9.789 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.849 0.643 -11.132 1.00 0.00 N ATOM 0 H LYS A 19 -0.333 -1.997 -9.084 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.169 0.567 -9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.795 -0.471 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.209 1.131 -7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.163 -1.365 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.037 -0.689 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.039 1.544 -8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.434 0.663 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.515 -0.942 -9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.130 0.527 -9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.822 0.337 -11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.803 1.682 -11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.207 0.259 -11.854 1.00 0.00 H new ATOM 244 N PRO A 20 1.479 2.041 -8.638 1.00 0.00 N ATOM 245 CA PRO A 20 2.596 2.848 -8.138 1.00 0.00 C ATOM 246 C PRO A 20 2.496 3.112 -6.639 1.00 0.00 C ATOM 247 O PRO A 20 3.507 3.165 -5.940 1.00 0.00 O ATOM 248 CB PRO A 20 2.466 4.156 -8.921 1.00 0.00 C ATOM 249 CG PRO A 20 1.025 4.238 -9.287 1.00 0.00 C ATOM 250 CD PRO A 20 0.569 2.820 -9.494 1.00 0.00 C ATOM 0 HA PRO A 20 3.554 2.347 -8.274 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.770 5.011 -8.317 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.100 4.151 -9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.449 4.722 -8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.885 4.829 -10.192 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.472 2.686 -9.201 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.647 2.521 -10.539 1.00 0.00 H new ATOM 258 N TRP A 21 1.271 3.276 -6.153 1.00 0.00 N ATOM 259 CA TRP A 21 1.039 3.534 -4.737 1.00 0.00 C ATOM 260 C TRP A 21 1.072 2.238 -3.935 1.00 0.00 C ATOM 261 O TRP A 21 0.639 2.199 -2.783 1.00 0.00 O ATOM 262 CB TRP A 21 -0.305 4.237 -4.538 1.00 0.00 C ATOM 263 CG TRP A 21 -1.403 3.670 -5.386 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.835 4.143 -6.592 1.00 0.00 C ATOM 265 CD2 TRP A 21 -2.209 2.524 -5.090 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.861 3.360 -7.064 1.00 0.00 N ATOM 267 CE2 TRP A 21 -3.109 2.360 -6.161 1.00 0.00 C ATOM 268 CE3 TRP A 21 -2.257 1.620 -4.025 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -4.044 1.329 -6.195 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -3.186 0.598 -4.061 1.00 0.00 C ATOM 271 CH2 TRP A 21 -4.069 0.459 -5.140 1.00 0.00 C ATOM 0 H TRP A 21 0.423 3.235 -6.719 1.00 0.00 H new ATOM 0 HA TRP A 21 1.837 4.183 -4.377 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.592 4.166 -3.489 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.190 5.297 -4.766 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.430 5.006 -7.100 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.357 3.501 -7.944 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.580 1.719 -3.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.726 1.220 -7.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -3.232 -0.106 -3.243 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.783 -0.351 -5.139 1.00 0.00 H new ATOM 282 N TYR A 22 1.587 1.180 -4.550 1.00 0.00 N ATOM 283 CA TYR A 22 1.674 -0.119 -3.893 1.00 0.00 C ATOM 284 C TYR A 22 3.111 -0.427 -3.483 1.00 0.00 C ATOM 285 O TYR A 22 4.034 -0.329 -4.292 1.00 0.00 O ATOM 286 CB TYR A 22 1.149 -1.218 -4.818 1.00 0.00 C ATOM 287 CG TYR A 22 1.437 -2.617 -4.321 1.00 0.00 C ATOM 288 CD1 TYR A 22 2.628 -3.257 -4.640 1.00 0.00 C ATOM 289 CD2 TYR A 22 0.519 -3.297 -3.531 1.00 0.00 C ATOM 290 CE1 TYR A 22 2.895 -4.535 -4.189 1.00 0.00 C ATOM 291 CE2 TYR A 22 0.778 -4.575 -3.074 1.00 0.00 C ATOM 292 CZ TYR A 22 1.967 -5.190 -3.406 1.00 0.00 C ATOM 293 OH TYR A 22 2.230 -6.463 -2.954 1.00 0.00 O ATOM 0 H TYR A 22 1.951 1.196 -5.503 1.00 0.00 H new ATOM 0 HA TYR A 22 1.058 -0.085 -2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.072 -1.098 -4.936 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.594 -1.093 -5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.358 -2.747 -5.251 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.413 -2.819 -3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.825 -5.019 -4.448 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.053 -5.089 -2.460 1.00 0.00 H new ATOM 0 HH TYR A 22 1.476 -6.781 -2.415 1.00 0.00 H new ATOM 303 N TYR A 23 3.292 -0.801 -2.221 1.00 0.00 N ATOM 304 CA TYR A 23 4.616 -1.122 -1.702 1.00 0.00 C ATOM 305 C TYR A 23 4.659 -2.549 -1.163 1.00 0.00 C ATOM 306 O TYR A 23 3.678 -3.044 -0.606 1.00 0.00 O ATOM 307 CB TYR A 23 5.007 -0.137 -0.599 1.00 0.00 C ATOM 308 CG TYR A 23 5.236 1.272 -1.098 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.443 1.635 -1.681 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.245 2.239 -0.986 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.657 2.921 -2.138 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.450 3.527 -1.442 1.00 0.00 C ATOM 313 CZ TYR A 23 5.657 3.863 -2.017 1.00 0.00 C ATOM 314 OH TYR A 23 5.865 5.146 -2.470 1.00 0.00 O ATOM 0 H TYR A 23 2.539 -0.889 -1.539 1.00 0.00 H new ATOM 0 HA TYR A 23 5.329 -1.041 -2.522 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.223 -0.122 0.158 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.915 -0.493 -0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.228 0.899 -1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.299 1.980 -0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.602 3.187 -2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.669 4.267 -1.348 1.00 0.00 H new ATOM 0 HH TYR A 23 5.061 5.684 -2.310 1.00 0.00 H new ATOM 324 N ASP A 24 5.801 -3.204 -1.333 1.00 0.00 N ATOM 325 CA ASP A 24 5.974 -4.574 -0.863 1.00 0.00 C ATOM 326 C ASP A 24 7.147 -4.672 0.107 1.00 0.00 C ATOM 327 O ASP A 24 7.336 -5.693 0.767 1.00 0.00 O ATOM 328 CB ASP A 24 6.196 -5.517 -2.047 1.00 0.00 C ATOM 329 CG ASP A 24 6.350 -6.962 -1.614 1.00 0.00 C ATOM 330 OD1 ASP A 24 5.318 -7.634 -1.409 1.00 0.00 O ATOM 331 OD2 ASP A 24 7.504 -7.421 -1.479 1.00 0.00 O ATOM 0 H ASP A 24 6.621 -2.809 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 24 5.066 -4.869 -0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.356 -5.435 -2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.087 -5.207 -2.593 1.00 0.00 H new ATOM 336 N ARG A 25 7.933 -3.602 0.188 1.00 0.00 N ATOM 337 CA ARG A 25 9.088 -3.569 1.076 1.00 0.00 C ATOM 338 C ARG A 25 8.949 -2.453 2.107 1.00 0.00 C ATOM 339 O ARG A 25 9.679 -2.415 3.099 1.00 0.00 O ATOM 340 CB ARG A 25 10.373 -3.373 0.268 1.00 0.00 C ATOM 341 CG ARG A 25 10.575 -1.948 -0.219 1.00 0.00 C ATOM 342 CD ARG A 25 9.997 -1.748 -1.611 1.00 0.00 C ATOM 343 NE ARG A 25 9.880 -0.334 -1.957 1.00 0.00 N ATOM 344 CZ ARG A 25 9.198 0.112 -3.007 1.00 0.00 C ATOM 345 NH1 ARG A 25 8.577 -0.742 -3.809 1.00 0.00 N ATOM 346 NH2 ARG A 25 9.138 1.414 -3.256 1.00 0.00 N ATOM 0 H ARG A 25 7.790 -2.748 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 25 9.138 -4.522 1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.226 -3.662 0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.357 -4.043 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.102 -1.254 0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.639 -1.713 -0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.631 -2.249 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.015 -2.217 -1.667 1.00 0.00 H new ATOM 0 HE ARG A 25 10.347 0.349 -1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.622 -1.743 -3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.054 -0.397 -4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.615 2.073 -2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.614 1.755 -4.062 1.00 0.00 H new ATOM 360 N LEU A 26 8.007 -1.547 1.867 1.00 0.00 N ATOM 361 CA LEU A 26 7.772 -0.429 2.775 1.00 0.00 C ATOM 362 C LEU A 26 7.294 -0.925 4.136 1.00 0.00 C ATOM 363 O LEU A 26 6.593 -1.932 4.230 1.00 0.00 O ATOM 364 CB LEU A 26 6.741 0.530 2.178 1.00 0.00 C ATOM 365 CG LEU A 26 6.657 1.912 2.826 1.00 0.00 C ATOM 366 CD1 LEU A 26 7.896 2.731 2.501 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.400 2.640 2.368 1.00 0.00 C ATOM 0 H LEU A 26 7.394 -1.565 1.052 1.00 0.00 H new ATOM 0 HA LEU A 26 8.715 0.101 2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.965 0.660 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.759 0.061 2.240 1.00 0.00 H new ATOM 0 HG LEU A 26 6.606 1.782 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.818 3.711 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.781 2.218 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.979 2.852 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.356 3.622 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.422 2.758 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.521 2.062 2.652 1.00 0.00 H new ATOM 379 N SER A 27 7.676 -0.209 5.189 1.00 0.00 N ATOM 380 CA SER A 27 7.288 -0.577 6.545 1.00 0.00 C ATOM 381 C SER A 27 6.838 0.650 7.333 1.00 0.00 C ATOM 382 O SER A 27 7.274 1.769 7.063 1.00 0.00 O ATOM 383 CB SER A 27 8.453 -1.259 7.265 1.00 0.00 C ATOM 384 OG SER A 27 8.782 -2.492 6.647 1.00 0.00 O ATOM 0 H SER A 27 8.254 0.629 5.129 1.00 0.00 H new ATOM 0 HA SER A 27 6.452 -1.274 6.480 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.323 -0.602 7.260 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.190 -1.430 8.309 1.00 0.00 H new ATOM 0 HG SER A 27 9.530 -2.908 7.124 1.00 0.00 H new ATOM 390 N ARG A 28 5.962 0.430 8.308 1.00 0.00 N ATOM 391 CA ARG A 28 5.451 1.517 9.135 1.00 0.00 C ATOM 392 C ARG A 28 6.550 2.530 9.442 1.00 0.00 C ATOM 393 O ARG A 28 6.296 3.731 9.521 1.00 0.00 O ATOM 394 CB ARG A 28 4.872 0.965 10.439 1.00 0.00 C ATOM 395 CG ARG A 28 3.991 1.956 11.182 1.00 0.00 C ATOM 396 CD ARG A 28 3.216 1.281 12.303 1.00 0.00 C ATOM 397 NE ARG A 28 4.058 1.011 13.465 1.00 0.00 N ATOM 398 CZ ARG A 28 3.710 0.189 14.449 1.00 0.00 C ATOM 399 NH1 ARG A 28 2.544 -0.440 14.411 1.00 0.00 N ATOM 400 NH2 ARG A 28 4.531 -0.005 15.473 1.00 0.00 N ATOM 0 H ARG A 28 5.591 -0.490 8.545 1.00 0.00 H new ATOM 0 HA ARG A 28 4.661 2.022 8.580 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.291 0.070 10.218 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.691 0.661 11.090 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.608 2.755 11.594 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.294 2.419 10.484 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.381 1.916 12.600 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.791 0.346 11.938 1.00 0.00 H new ATOM 0 HE ARG A 28 4.962 1.479 13.524 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.911 -0.294 13.625 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.280 -1.070 15.168 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.429 0.477 15.505 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.264 -0.636 16.228 1.00 0.00 H new ATOM 414 N GLY A 29 7.772 2.035 9.614 1.00 0.00 N ATOM 415 CA GLY A 29 8.891 2.910 9.911 1.00 0.00 C ATOM 416 C GLY A 29 8.995 4.069 8.939 1.00 0.00 C ATOM 417 O GLY A 29 9.044 5.228 9.348 1.00 0.00 O ATOM 0 H GLY A 29 8.007 1.044 9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.786 3.298 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.816 2.334 9.885 1.00 0.00 H new ATOM 421 N GLU A 30 9.031 3.754 7.648 1.00 0.00 N ATOM 422 CA GLU A 30 9.133 4.779 6.615 1.00 0.00 C ATOM 423 C GLU A 30 7.749 5.266 6.193 1.00 0.00 C ATOM 424 O GLU A 30 7.537 6.459 5.983 1.00 0.00 O ATOM 425 CB GLU A 30 9.887 4.236 5.400 1.00 0.00 C ATOM 426 CG GLU A 30 11.271 3.704 5.730 1.00 0.00 C ATOM 427 CD GLU A 30 11.892 2.939 4.578 1.00 0.00 C ATOM 428 OE1 GLU A 30 11.359 1.868 4.220 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.913 3.411 4.034 1.00 0.00 O ATOM 0 H GLU A 30 8.991 2.799 7.293 1.00 0.00 H new ATOM 0 HA GLU A 30 9.685 5.623 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.299 3.439 4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.979 5.028 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.921 4.536 6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.207 3.052 6.602 1.00 0.00 H new ATOM 436 N ALA A 31 6.812 4.332 6.071 1.00 0.00 N ATOM 437 CA ALA A 31 5.449 4.664 5.676 1.00 0.00 C ATOM 438 C ALA A 31 4.988 5.961 6.333 1.00 0.00 C ATOM 439 O ALA A 31 4.649 6.927 5.650 1.00 0.00 O ATOM 440 CB ALA A 31 4.504 3.526 6.030 1.00 0.00 C ATOM 0 H ALA A 31 6.972 3.339 6.240 1.00 0.00 H new ATOM 0 HA ALA A 31 5.436 4.809 4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.490 3.788 5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.814 2.620 5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.530 3.353 7.106 1.00 0.00 H new ATOM 446 N GLU A 32 4.976 5.974 7.663 1.00 0.00 N ATOM 447 CA GLU A 32 4.555 7.152 8.411 1.00 0.00 C ATOM 448 C GLU A 32 5.303 8.394 7.937 1.00 0.00 C ATOM 449 O GLU A 32 4.692 9.386 7.538 1.00 0.00 O ATOM 450 CB GLU A 32 4.789 6.943 9.909 1.00 0.00 C ATOM 451 CG GLU A 32 3.760 6.037 10.565 1.00 0.00 C ATOM 452 CD GLU A 32 4.079 5.749 12.019 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.215 5.314 12.302 1.00 0.00 O ATOM 454 OE2 GLU A 32 3.194 5.960 12.874 1.00 0.00 O ATOM 0 H GLU A 32 5.253 5.182 8.243 1.00 0.00 H new ATOM 0 HA GLU A 32 3.490 7.301 8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.782 6.518 10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.779 7.912 10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.777 6.502 10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.706 5.097 10.016 1.00 0.00 H new ATOM 461 N ASP A 33 6.629 8.333 7.984 1.00 0.00 N ATOM 462 CA ASP A 33 7.463 9.452 7.559 1.00 0.00 C ATOM 463 C ASP A 33 7.017 9.974 6.197 1.00 0.00 C ATOM 464 O ASP A 33 6.743 11.163 6.038 1.00 0.00 O ATOM 465 CB ASP A 33 8.931 9.028 7.502 1.00 0.00 C ATOM 466 CG ASP A 33 9.878 10.199 7.680 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.825 11.135 6.856 1.00 0.00 O ATOM 468 OD2 ASP A 33 10.673 10.178 8.643 1.00 0.00 O ATOM 0 H ASP A 33 7.150 7.520 8.312 1.00 0.00 H new ATOM 0 HA ASP A 33 7.353 10.254 8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.123 8.288 8.279 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.130 8.545 6.545 1.00 0.00 H new ATOM 473 N MET A 34 6.948 9.078 5.219 1.00 0.00 N ATOM 474 CA MET A 34 6.536 9.449 3.870 1.00 0.00 C ATOM 475 C MET A 34 5.390 10.456 3.910 1.00 0.00 C ATOM 476 O MET A 34 5.524 11.583 3.431 1.00 0.00 O ATOM 477 CB MET A 34 6.113 8.208 3.083 1.00 0.00 C ATOM 478 CG MET A 34 7.254 7.240 2.815 1.00 0.00 C ATOM 479 SD MET A 34 6.678 5.569 2.457 1.00 0.00 S ATOM 480 CE MET A 34 5.903 5.812 0.860 1.00 0.00 C ATOM 0 H MET A 34 7.172 8.090 5.335 1.00 0.00 H new ATOM 0 HA MET A 34 7.387 9.913 3.371 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.329 7.689 3.634 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.682 8.520 2.132 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.845 7.604 1.974 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.915 7.215 3.682 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.820 5.769 0.971 1.00 0.00 H new ATOM 0 HE2 MET A 34 6.189 6.785 0.461 1.00 0.00 H new ATOM 0 HE3 MET A 34 6.229 5.030 0.175 1.00 0.00 H new ATOM 490 N LEU A 35 4.265 10.042 4.482 1.00 0.00 N ATOM 491 CA LEU A 35 3.095 10.908 4.584 1.00 0.00 C ATOM 492 C LEU A 35 3.473 12.268 5.162 1.00 0.00 C ATOM 493 O LEU A 35 2.982 13.302 4.712 1.00 0.00 O ATOM 494 CB LEU A 35 2.024 10.250 5.455 1.00 0.00 C ATOM 495 CG LEU A 35 1.041 9.330 4.730 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.355 10.071 3.593 1.00 0.00 C ATOM 497 CD2 LEU A 35 1.756 8.092 4.208 1.00 0.00 C ATOM 0 H LEU A 35 4.138 9.112 4.882 1.00 0.00 H new ATOM 0 HA LEU A 35 2.696 11.059 3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.522 9.674 6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.456 11.036 5.953 1.00 0.00 H new ATOM 0 HG LEU A 35 0.278 9.012 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.341 9.400 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.190 10.926 3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.104 10.419 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.041 7.448 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.540 8.391 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.199 7.549 5.043 1.00 0.00 H new ATOM 509 N MET A 36 4.350 12.257 6.161 1.00 0.00 N ATOM 510 CA MET A 36 4.796 13.491 6.798 1.00 0.00 C ATOM 511 C MET A 36 5.613 14.339 5.829 1.00 0.00 C ATOM 512 O MET A 36 5.703 15.557 5.980 1.00 0.00 O ATOM 513 CB MET A 36 5.628 13.175 8.043 1.00 0.00 C ATOM 514 CG MET A 36 4.959 12.187 8.986 1.00 0.00 C ATOM 515 SD MET A 36 5.451 12.426 10.704 1.00 0.00 S ATOM 516 CE MET A 36 4.028 11.755 11.560 1.00 0.00 C ATOM 0 H MET A 36 4.765 11.409 6.546 1.00 0.00 H new ATOM 0 HA MET A 36 3.913 14.058 7.093 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.593 12.773 7.733 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.827 14.101 8.582 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.877 12.288 8.904 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.208 11.171 8.679 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.182 11.831 12.636 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.137 12.316 11.280 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.899 10.708 11.285 1.00 0.00 H new ATOM 526 N ARG A 37 6.206 13.687 4.834 1.00 0.00 N ATOM 527 CA ARG A 37 7.017 14.382 3.841 1.00 0.00 C ATOM 528 C ARG A 37 6.138 15.000 2.758 1.00 0.00 C ATOM 529 O ARG A 37 6.583 15.864 2.001 1.00 0.00 O ATOM 530 CB ARG A 37 8.023 13.419 3.208 1.00 0.00 C ATOM 531 CG ARG A 37 9.215 13.112 4.100 1.00 0.00 C ATOM 532 CD ARG A 37 9.931 11.846 3.655 1.00 0.00 C ATOM 533 NE ARG A 37 11.326 11.826 4.088 1.00 0.00 N ATOM 534 CZ ARG A 37 12.245 12.676 3.645 1.00 0.00 C ATOM 535 NH1 ARG A 37 11.918 13.610 2.763 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.494 12.594 4.086 1.00 0.00 N ATOM 0 H ARG A 37 6.140 12.679 4.694 1.00 0.00 H new ATOM 0 HA ARG A 37 7.559 15.182 4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.515 12.487 2.961 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.381 13.845 2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.911 13.951 4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.880 12.999 5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.413 10.976 4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.887 11.767 2.569 1.00 0.00 H new ATOM 0 HE ARG A 37 11.610 11.120 4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.959 13.677 2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.626 14.262 2.424 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.749 11.878 4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.199 13.247 3.745 1.00 0.00 H new ATOM 550 N ILE A 38 4.888 14.553 2.690 1.00 0.00 N ATOM 551 CA ILE A 38 3.947 15.062 1.701 1.00 0.00 C ATOM 552 C ILE A 38 3.193 16.276 2.233 1.00 0.00 C ATOM 553 O ILE A 38 2.433 16.191 3.198 1.00 0.00 O ATOM 554 CB ILE A 38 2.932 13.983 1.282 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.622 12.623 1.157 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.263 14.366 -0.030 1.00 0.00 C ATOM 557 CD1 ILE A 38 4.919 12.673 0.380 1.00 0.00 C ATOM 0 H ILE A 38 4.504 13.839 3.309 1.00 0.00 H new ATOM 0 HA ILE A 38 4.533 15.355 0.830 1.00 0.00 H new ATOM 0 HB ILE A 38 2.164 13.910 2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.821 12.232 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.943 11.923 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.548 13.593 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.742 15.316 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.019 14.464 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.353 11.674 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.724 13.034 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.616 13.347 0.878 1.00 0.00 H new ATOM 569 N PRO A 39 3.404 17.433 1.590 1.00 0.00 N ATOM 570 CA PRO A 39 2.751 18.687 1.980 1.00 0.00 C ATOM 571 C PRO A 39 1.256 18.679 1.679 1.00 0.00 C ATOM 572 O PRO A 39 0.538 19.617 2.027 1.00 0.00 O ATOM 573 CB PRO A 39 3.463 19.738 1.125 1.00 0.00 C ATOM 574 CG PRO A 39 3.961 18.988 -0.062 1.00 0.00 C ATOM 575 CD PRO A 39 4.296 17.608 0.431 1.00 0.00 C ATOM 0 HA PRO A 39 2.824 18.869 3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.782 20.537 0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.283 20.203 1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.204 18.950 -0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.838 19.473 -0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.114 16.853 -0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.345 17.527 0.716 1.00 0.00 H new ATOM 583 N ARG A 40 0.793 17.615 1.031 1.00 0.00 N ATOM 584 CA ARG A 40 -0.617 17.487 0.683 1.00 0.00 C ATOM 585 C ARG A 40 -1.415 16.911 1.850 1.00 0.00 C ATOM 586 O ARG A 40 -1.036 15.894 2.432 1.00 0.00 O ATOM 587 CB ARG A 40 -0.781 16.596 -0.550 1.00 0.00 C ATOM 588 CG ARG A 40 0.056 17.040 -1.738 1.00 0.00 C ATOM 589 CD ARG A 40 -0.507 18.301 -2.375 1.00 0.00 C ATOM 590 NE ARG A 40 -0.065 19.508 -1.682 1.00 0.00 N ATOM 591 CZ ARG A 40 -0.181 20.731 -2.189 1.00 0.00 C ATOM 592 NH1 ARG A 40 -0.723 20.907 -3.386 1.00 0.00 N ATOM 593 NH2 ARG A 40 0.245 21.780 -1.498 1.00 0.00 N ATOM 0 H ARG A 40 1.373 16.830 0.737 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.002 18.482 0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.510 15.573 -0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.831 16.583 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.081 17.221 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.091 16.241 -2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.198 18.349 -3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.596 18.256 -2.367 1.00 0.00 H new ATOM 0 HE ARG A 40 0.356 19.407 -0.758 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.052 20.103 -3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.811 21.847 -3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.662 21.648 -0.577 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.155 22.718 -1.888 1.00 0.00 H new ATOM 607 N ASP A 41 -2.520 17.567 2.185 1.00 0.00 N ATOM 608 CA ASP A 41 -3.371 17.121 3.282 1.00 0.00 C ATOM 609 C ASP A 41 -4.393 16.098 2.795 1.00 0.00 C ATOM 610 O ASP A 41 -5.597 16.349 2.818 1.00 0.00 O ATOM 611 CB ASP A 41 -4.088 18.313 3.917 1.00 0.00 C ATOM 612 CG ASP A 41 -3.159 19.487 4.156 1.00 0.00 C ATOM 613 OD1 ASP A 41 -2.134 19.302 4.845 1.00 0.00 O ATOM 614 OD2 ASP A 41 -3.456 20.591 3.654 1.00 0.00 O ATOM 0 H ASP A 41 -2.848 18.410 1.713 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.737 16.647 4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.907 18.627 3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.530 18.005 4.864 1.00 0.00 H new ATOM 619 N GLY A 42 -3.903 14.944 2.353 1.00 0.00 N ATOM 620 CA GLY A 42 -4.786 13.901 1.865 1.00 0.00 C ATOM 621 C GLY A 42 -4.038 12.799 1.141 1.00 0.00 C ATOM 622 O GLY A 42 -4.565 12.191 0.210 1.00 0.00 O ATOM 0 H GLY A 42 -2.910 14.713 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.335 13.473 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.523 14.339 1.192 1.00 0.00 H new ATOM 626 N ALA A 43 -2.806 12.543 1.567 1.00 0.00 N ATOM 627 CA ALA A 43 -1.985 11.507 0.953 1.00 0.00 C ATOM 628 C ALA A 43 -2.335 10.129 1.505 1.00 0.00 C ATOM 629 O ALA A 43 -2.886 10.010 2.600 1.00 0.00 O ATOM 630 CB ALA A 43 -0.509 11.805 1.171 1.00 0.00 C ATOM 0 H ALA A 43 -2.354 13.039 2.335 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.190 11.503 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.092 11.023 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.262 12.767 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.299 11.839 2.240 1.00 0.00 H new ATOM 636 N PHE A 44 -2.014 9.091 0.740 1.00 0.00 N ATOM 637 CA PHE A 44 -2.296 7.721 1.152 1.00 0.00 C ATOM 638 C PHE A 44 -1.312 6.747 0.512 1.00 0.00 C ATOM 639 O PHE A 44 -0.767 7.012 -0.560 1.00 0.00 O ATOM 640 CB PHE A 44 -3.729 7.338 0.776 1.00 0.00 C ATOM 641 CG PHE A 44 -3.862 6.825 -0.629 1.00 0.00 C ATOM 642 CD1 PHE A 44 -3.426 5.553 -0.961 1.00 0.00 C ATOM 643 CD2 PHE A 44 -4.425 7.616 -1.619 1.00 0.00 C ATOM 644 CE1 PHE A 44 -3.548 5.077 -2.253 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.550 7.145 -2.912 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.109 5.875 -3.230 1.00 0.00 C ATOM 0 H PHE A 44 -1.558 9.173 -0.169 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.184 7.663 2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.087 6.576 1.468 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.374 8.208 0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.985 4.925 -0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.769 8.611 -1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.205 4.083 -2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.992 7.770 -3.674 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.203 5.507 -4.241 1.00 0.00 H new ATOM 656 N LEU A 45 -1.089 5.619 1.177 1.00 0.00 N ATOM 657 CA LEU A 45 -0.170 4.603 0.674 1.00 0.00 C ATOM 658 C LEU A 45 -0.572 3.215 1.162 1.00 0.00 C ATOM 659 O LEU A 45 -0.962 3.041 2.317 1.00 0.00 O ATOM 660 CB LEU A 45 1.260 4.917 1.117 1.00 0.00 C ATOM 661 CG LEU A 45 1.656 4.421 2.508 1.00 0.00 C ATOM 662 CD1 LEU A 45 1.947 2.928 2.479 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.862 5.190 3.026 1.00 0.00 C ATOM 0 H LEU A 45 -1.532 5.384 2.066 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.217 4.613 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.947 4.485 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.400 5.998 1.085 1.00 0.00 H new ATOM 0 HG LEU A 45 0.820 4.596 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.227 2.592 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.057 2.390 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.765 2.730 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.129 4.823 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.703 5.048 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.619 6.251 3.085 1.00 0.00 H new ATOM 675 N ILE A 46 -0.474 2.231 0.275 1.00 0.00 N ATOM 676 CA ILE A 46 -0.825 0.858 0.616 1.00 0.00 C ATOM 677 C ILE A 46 0.395 -0.055 0.545 1.00 0.00 C ATOM 678 O ILE A 46 0.884 -0.371 -0.539 1.00 0.00 O ATOM 679 CB ILE A 46 -1.919 0.307 -0.318 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.195 1.142 -0.191 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.201 -1.154 0.001 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.310 0.682 -1.103 1.00 0.00 C ATOM 0 H ILE A 46 -0.154 2.359 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.205 0.874 1.637 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.565 0.372 -1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.542 1.105 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.962 2.184 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.976 -1.529 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.291 -1.738 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.538 -1.242 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.183 1.319 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.981 0.745 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.571 -0.350 -0.867 1.00 0.00 H new ATOM 694 N ARG A 47 0.880 -0.477 1.709 1.00 0.00 N ATOM 695 CA ARG A 47 2.042 -1.354 1.779 1.00 0.00 C ATOM 696 C ARG A 47 1.669 -2.704 2.385 1.00 0.00 C ATOM 697 O ARG A 47 0.589 -2.863 2.956 1.00 0.00 O ATOM 698 CB ARG A 47 3.151 -0.701 2.606 1.00 0.00 C ATOM 699 CG ARG A 47 2.820 -0.583 4.084 1.00 0.00 C ATOM 700 CD ARG A 47 3.816 0.309 4.809 1.00 0.00 C ATOM 701 NE ARG A 47 3.308 0.758 6.102 1.00 0.00 N ATOM 702 CZ ARG A 47 3.224 -0.025 7.172 1.00 0.00 C ATOM 703 NH1 ARG A 47 3.613 -1.291 7.102 1.00 0.00 N ATOM 704 NH2 ARG A 47 2.751 0.458 8.314 1.00 0.00 N ATOM 0 H ARG A 47 0.486 -0.225 2.616 1.00 0.00 H new ATOM 0 HA ARG A 47 2.403 -1.518 0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.067 -1.281 2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.352 0.293 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.815 -0.178 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.820 -1.574 4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.750 -0.234 4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.045 1.176 4.189 1.00 0.00 H new ATOM 0 HE ARG A 47 3.000 1.727 6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.977 -1.665 6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.548 -1.891 7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.451 1.431 8.371 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.687 -0.144 9.135 1.00 0.00 H new ATOM 718 N LYS A 48 2.568 -3.673 2.257 1.00 0.00 N ATOM 719 CA LYS A 48 2.335 -5.009 2.792 1.00 0.00 C ATOM 720 C LYS A 48 3.243 -5.283 3.987 1.00 0.00 C ATOM 721 O LYS A 48 4.410 -4.890 3.994 1.00 0.00 O ATOM 722 CB LYS A 48 2.569 -6.064 1.708 1.00 0.00 C ATOM 723 CG LYS A 48 2.275 -7.482 2.164 1.00 0.00 C ATOM 724 CD LYS A 48 3.506 -8.142 2.762 1.00 0.00 C ATOM 725 CE LYS A 48 4.433 -8.676 1.681 1.00 0.00 C ATOM 726 NZ LYS A 48 5.827 -8.840 2.177 1.00 0.00 N ATOM 0 H LYS A 48 3.466 -3.558 1.787 1.00 0.00 H new ATOM 0 HA LYS A 48 1.299 -5.063 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.943 -5.832 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.605 -6.006 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.473 -7.469 2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.920 -8.071 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.043 -7.422 3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.201 -8.958 3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.059 -9.636 1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.428 -7.995 0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.427 -9.206 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.193 -7.920 2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.836 -9.509 2.973 1.00 0.00 H new ATOM 740 N ARG A 49 2.701 -5.961 4.993 1.00 0.00 N ATOM 741 CA ARG A 49 3.463 -6.287 6.193 1.00 0.00 C ATOM 742 C ARG A 49 3.954 -7.731 6.149 1.00 0.00 C ATOM 743 O ARG A 49 3.173 -8.655 5.921 1.00 0.00 O ATOM 744 CB ARG A 49 2.609 -6.065 7.442 1.00 0.00 C ATOM 745 CG ARG A 49 2.109 -4.638 7.592 1.00 0.00 C ATOM 746 CD ARG A 49 0.958 -4.552 8.583 1.00 0.00 C ATOM 747 NE ARG A 49 1.427 -4.330 9.948 1.00 0.00 N ATOM 748 CZ ARG A 49 0.637 -3.936 10.941 1.00 0.00 C ATOM 749 NH1 ARG A 49 -0.653 -3.723 10.722 1.00 0.00 N ATOM 750 NH2 ARG A 49 1.138 -3.755 12.157 1.00 0.00 N ATOM 0 H ARG A 49 1.737 -6.295 5.001 1.00 0.00 H new ATOM 0 HA ARG A 49 4.330 -5.627 6.233 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.753 -6.739 7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.193 -6.331 8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.926 -3.998 7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.784 -4.261 6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.290 -3.741 8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.377 -5.473 8.545 1.00 0.00 H new ATOM 0 HE ARG A 49 2.415 -4.486 10.150 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.042 -3.862 9.789 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.257 -3.421 11.486 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.130 -3.918 12.329 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.531 -3.453 12.919 1.00 0.00 H new ATOM 812 N SER A 54 -2.264 -9.767 6.332 1.00 0.00 N ATOM 813 CA SER A 54 -3.163 -8.623 6.232 1.00 0.00 C ATOM 814 C SER A 54 -2.397 -7.361 5.851 1.00 0.00 C ATOM 815 O SER A 54 -1.248 -7.173 6.253 1.00 0.00 O ATOM 816 CB SER A 54 -3.897 -8.407 7.558 1.00 0.00 C ATOM 817 OG SER A 54 -4.396 -7.085 7.655 1.00 0.00 O ATOM 0 HA SER A 54 -3.893 -8.833 5.450 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.720 -9.117 7.641 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.220 -8.605 8.389 1.00 0.00 H new ATOM 0 HG SER A 54 -4.934 -6.880 6.862 1.00 0.00 H new ATOM 823 N TYR A 55 -3.040 -6.498 5.073 1.00 0.00 N ATOM 824 CA TYR A 55 -2.420 -5.254 4.634 1.00 0.00 C ATOM 825 C TYR A 55 -2.887 -4.080 5.489 1.00 0.00 C ATOM 826 O TYR A 55 -3.780 -4.223 6.324 1.00 0.00 O ATOM 827 CB TYR A 55 -2.744 -4.988 3.163 1.00 0.00 C ATOM 828 CG TYR A 55 -2.281 -6.087 2.233 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.015 -7.258 2.089 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.110 -5.953 1.497 1.00 0.00 C ATOM 831 CE1 TYR A 55 -2.595 -8.264 1.241 1.00 0.00 C ATOM 832 CE2 TYR A 55 -0.683 -6.954 0.646 1.00 0.00 C ATOM 833 CZ TYR A 55 -1.429 -8.108 0.521 1.00 0.00 C ATOM 834 OH TYR A 55 -1.008 -9.107 -0.325 1.00 0.00 O ATOM 0 H TYR A 55 -3.992 -6.637 4.733 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.341 -5.357 4.748 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.821 -4.861 3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.280 -4.049 2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.929 -7.384 2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.524 -5.051 1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.177 -9.168 1.142 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.230 -6.834 0.082 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.170 -8.839 -0.757 1.00 0.00 H new ATOM 844 N ALA A 56 -2.278 -2.919 5.273 1.00 0.00 N ATOM 845 CA ALA A 56 -2.632 -1.719 6.021 1.00 0.00 C ATOM 846 C ALA A 56 -2.358 -0.462 5.204 1.00 0.00 C ATOM 847 O ALA A 56 -1.361 -0.383 4.484 1.00 0.00 O ATOM 848 CB ALA A 56 -1.870 -1.673 7.337 1.00 0.00 C ATOM 0 H ALA A 56 -1.537 -2.784 4.586 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.700 -1.756 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.144 -0.772 7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.120 -2.550 7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.799 -1.664 7.137 1.00 0.00 H new ATOM 854 N ILE A 57 -3.247 0.519 5.319 1.00 0.00 N ATOM 855 CA ILE A 57 -3.099 1.773 4.591 1.00 0.00 C ATOM 856 C ILE A 57 -2.725 2.914 5.531 1.00 0.00 C ATOM 857 O ILE A 57 -3.194 2.976 6.668 1.00 0.00 O ATOM 858 CB ILE A 57 -4.392 2.144 3.840 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.147 3.341 2.920 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.509 2.446 4.827 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.410 3.887 2.290 1.00 0.00 C ATOM 0 H ILE A 57 -4.077 0.469 5.909 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.298 1.625 3.867 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.696 1.295 3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.663 4.134 3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.455 3.047 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.416 2.706 4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.696 1.567 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.216 3.281 5.464 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.161 4.734 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.884 3.109 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.096 4.212 3.072 1.00 0.00 H new ATOM 873 N THR A 58 -1.879 3.818 5.048 1.00 0.00 N ATOM 874 CA THR A 58 -1.442 4.958 5.844 1.00 0.00 C ATOM 875 C THR A 58 -1.713 6.271 5.119 1.00 0.00 C ATOM 876 O THR A 58 -1.284 6.464 3.981 1.00 0.00 O ATOM 877 CB THR A 58 0.060 4.869 6.176 1.00 0.00 C ATOM 878 OG1 THR A 58 0.383 3.551 6.632 1.00 0.00 O ATOM 879 CG2 THR A 58 0.440 5.887 7.240 1.00 0.00 C ATOM 0 H THR A 58 -1.483 3.783 4.109 1.00 0.00 H new ATOM 0 HA THR A 58 -2.014 4.933 6.772 1.00 0.00 H new ATOM 0 HB THR A 58 0.624 5.088 5.269 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.340 3.502 6.840 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.505 5.805 7.458 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.220 6.891 6.878 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.132 5.695 8.148 1.00 0.00 H new ATOM 887 N PHE A 59 -2.428 7.172 5.784 1.00 0.00 N ATOM 888 CA PHE A 59 -2.758 8.468 5.202 1.00 0.00 C ATOM 889 C PHE A 59 -2.323 9.604 6.124 1.00 0.00 C ATOM 890 O PHE A 59 -1.914 9.373 7.262 1.00 0.00 O ATOM 891 CB PHE A 59 -4.261 8.563 4.931 1.00 0.00 C ATOM 892 CG PHE A 59 -5.094 7.766 5.894 1.00 0.00 C ATOM 893 CD1 PHE A 59 -5.075 6.381 5.865 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.896 8.402 6.827 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.842 5.646 6.749 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.665 7.672 7.714 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.637 6.292 7.676 1.00 0.00 C ATOM 0 H PHE A 59 -2.790 7.029 6.727 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.220 8.562 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.565 9.609 4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.462 8.218 3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.454 5.870 5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.921 9.481 6.862 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.820 4.567 6.715 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.287 8.180 8.436 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.235 5.719 8.369 1.00 0.00 H new ATOM 907 N ARG A 60 -2.414 10.832 5.623 1.00 0.00 N ATOM 908 CA ARG A 60 -2.029 12.004 6.400 1.00 0.00 C ATOM 909 C ARG A 60 -3.249 12.855 6.741 1.00 0.00 C ATOM 910 O ARG A 60 -3.856 13.469 5.864 1.00 0.00 O ATOM 911 CB ARG A 60 -1.010 12.843 5.626 1.00 0.00 C ATOM 912 CG ARG A 60 -0.807 14.236 6.199 1.00 0.00 C ATOM 913 CD ARG A 60 0.065 15.090 5.292 1.00 0.00 C ATOM 914 NE ARG A 60 -0.001 16.505 5.644 1.00 0.00 N ATOM 915 CZ ARG A 60 0.712 17.054 6.622 1.00 0.00 C ATOM 916 NH1 ARG A 60 1.540 16.309 7.341 1.00 0.00 N ATOM 917 NH2 ARG A 60 0.597 18.350 6.881 1.00 0.00 N ATOM 0 H ARG A 60 -2.751 11.041 4.683 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.576 11.660 7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.054 12.320 5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.336 12.930 4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.775 14.719 6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.346 14.162 7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.098 14.748 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.251 14.959 4.257 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.629 17.106 5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.631 15.312 7.144 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.086 16.732 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.039 18.926 6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.145 18.771 7.632 1.00 0.00 H new ATOM 931 N ALA A 61 -3.603 12.885 8.022 1.00 0.00 N ATOM 932 CA ALA A 61 -4.749 13.661 8.480 1.00 0.00 C ATOM 933 C ALA A 61 -4.314 15.026 9.003 1.00 0.00 C ATOM 934 O ALA A 61 -3.849 15.147 10.137 1.00 0.00 O ATOM 935 CB ALA A 61 -5.507 12.898 9.555 1.00 0.00 C ATOM 0 H ALA A 61 -3.113 12.381 8.761 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.411 13.822 7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.360 13.489 9.888 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.859 11.950 9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.846 12.707 10.400 1.00 0.00 H new ATOM 941 N ARG A 62 -4.468 16.051 8.171 1.00 0.00 N ATOM 942 CA ARG A 62 -4.090 17.406 8.550 1.00 0.00 C ATOM 943 C ARG A 62 -2.839 17.397 9.425 1.00 0.00 C ATOM 944 O ARG A 62 -2.765 18.108 10.426 1.00 0.00 O ATOM 945 CB ARG A 62 -5.239 18.091 9.291 1.00 0.00 C ATOM 946 CG ARG A 62 -6.536 18.130 8.500 1.00 0.00 C ATOM 947 CD ARG A 62 -6.466 19.137 7.363 1.00 0.00 C ATOM 948 NE ARG A 62 -7.617 19.036 6.470 1.00 0.00 N ATOM 949 CZ ARG A 62 -7.784 19.801 5.397 1.00 0.00 C ATOM 950 NH1 ARG A 62 -6.879 20.719 5.086 1.00 0.00 N ATOM 951 NH2 ARG A 62 -8.858 19.649 4.633 1.00 0.00 N ATOM 0 H ARG A 62 -4.852 15.968 7.230 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.871 17.963 7.639 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.413 17.572 10.233 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.944 19.111 9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.748 17.139 8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.361 18.387 9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.414 20.145 7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.550 18.977 6.793 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.332 18.340 6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.052 20.839 5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.010 21.305 4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.556 18.944 4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.985 20.237 3.809 1.00 0.00 H new ATOM 965 N GLY A 63 -1.859 16.586 9.040 1.00 0.00 N ATOM 966 CA GLY A 63 -0.626 16.498 9.800 1.00 0.00 C ATOM 967 C GLY A 63 -0.390 15.112 10.365 1.00 0.00 C ATOM 968 O GLY A 63 0.615 14.471 10.058 1.00 0.00 O ATOM 0 H GLY A 63 -1.897 15.988 8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.212 16.773 9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.654 17.220 10.616 1.00 0.00 H new ATOM 972 N LYS A 64 -1.318 14.647 11.194 1.00 0.00 N ATOM 973 CA LYS A 64 -1.208 13.327 11.805 1.00 0.00 C ATOM 974 C LYS A 64 -1.235 12.233 10.743 1.00 0.00 C ATOM 975 O LYS A 64 -1.505 12.497 9.572 1.00 0.00 O ATOM 976 CB LYS A 64 -2.344 13.109 12.807 1.00 0.00 C ATOM 977 CG LYS A 64 -2.093 13.750 14.161 1.00 0.00 C ATOM 978 CD LYS A 64 -0.914 13.106 14.872 1.00 0.00 C ATOM 979 CE LYS A 64 -0.831 13.548 16.325 1.00 0.00 C ATOM 980 NZ LYS A 64 -0.041 14.801 16.479 1.00 0.00 N ATOM 0 H LYS A 64 -2.156 15.165 11.459 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.255 13.276 12.331 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.267 13.511 12.390 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.496 12.038 12.944 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.903 14.815 14.031 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.986 13.659 14.779 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.008 12.021 14.825 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.010 13.368 14.357 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.837 13.702 16.716 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.376 12.756 16.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.008 15.069 17.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.926 14.647 16.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.489 15.563 15.932 1.00 0.00 H new ATOM 994 N VAL A 65 -0.955 11.002 11.161 1.00 0.00 N ATOM 995 CA VAL A 65 -0.949 9.867 10.246 1.00 0.00 C ATOM 996 C VAL A 65 -1.572 8.636 10.895 1.00 0.00 C ATOM 997 O VAL A 65 -0.985 8.028 11.791 1.00 0.00 O ATOM 998 CB VAL A 65 0.480 9.524 9.785 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.465 8.328 8.846 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.127 10.728 9.119 1.00 0.00 C ATOM 0 H VAL A 65 -0.729 10.766 12.127 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.542 10.157 9.378 1.00 0.00 H new ATOM 0 HB VAL A 65 1.073 9.260 10.661 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.483 8.100 8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.043 7.465 9.362 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.143 8.560 7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.136 10.468 8.799 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.537 11.025 8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.172 11.555 9.828 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.764 8.271 10.437 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.468 7.110 10.970 1.00 0.00 C ATOM 1012 C LYS A 66 -3.293 5.901 10.057 1.00 0.00 C ATOM 1013 O LYS A 66 -2.703 6.003 8.981 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.956 7.424 11.141 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.226 8.636 12.015 1.00 0.00 C ATOM 1016 CD LYS A 66 -6.584 8.545 12.690 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.613 9.333 13.991 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.192 8.501 15.152 1.00 0.00 N ATOM 0 H LYS A 66 -3.264 8.763 9.697 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.040 6.872 11.944 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.399 7.589 10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.454 6.556 11.574 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.447 8.720 12.773 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.180 9.541 11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.353 8.924 12.016 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.823 7.501 12.890 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.955 10.198 13.906 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.620 9.714 14.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.225 9.074 16.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.835 7.689 15.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.222 8.159 15.000 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.811 4.757 10.492 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.714 3.528 9.712 1.00 0.00 C ATOM 1034 C HIS A 67 -5.010 2.727 9.797 1.00 0.00 C ATOM 1035 O HIS A 67 -5.659 2.688 10.843 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.542 2.678 10.203 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.322 3.479 10.539 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -1.097 4.378 11.526 1.00 0.00 N flip ATOM 1039 CD2 HIS A 67 -0.148 3.401 9.819 1.00 0.00 C flip ATOM 1040 CE1 HIS A 67 0.195 4.822 11.385 1.00 0.00 C flip ATOM 1041 NE2 HIS A 67 0.746 4.217 10.348 1.00 0.00 N flip ATOM 0 H HIS A 67 -4.302 4.655 11.380 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.544 3.800 8.670 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.854 2.119 11.085 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.287 1.947 9.436 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.763 4.671 12.241 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.015 2.771 8.957 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.682 5.548 12.019 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.380 2.090 8.692 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.599 1.291 8.641 1.00 0.00 C ATOM 1052 C CYS A 68 -6.300 -0.127 8.164 1.00 0.00 C ATOM 1053 O CYS A 68 -5.991 -0.346 6.993 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.626 1.947 7.717 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.344 1.569 8.136 1.00 0.00 S ATOM 0 H CYS A 68 -4.853 2.111 7.819 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.011 1.237 9.649 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.486 3.028 7.745 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.434 1.627 6.693 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.137 2.171 7.300 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.393 -1.085 9.080 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.130 -2.482 8.753 1.00 0.00 C ATOM 1063 C ARG A 69 -7.038 -2.956 7.621 1.00 0.00 C ATOM 1064 O ARG A 69 -8.204 -2.568 7.544 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.333 -3.363 9.987 1.00 0.00 C ATOM 1066 CG ARG A 69 -5.792 -4.774 9.823 1.00 0.00 C ATOM 1067 CD ARG A 69 -4.284 -4.818 10.018 1.00 0.00 C ATOM 1068 NE ARG A 69 -3.916 -4.883 11.429 1.00 0.00 N ATOM 1069 CZ ARG A 69 -4.089 -5.962 12.185 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -4.620 -7.060 11.666 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -3.728 -5.944 13.462 1.00 0.00 N ATOM 0 H ARG A 69 -6.648 -0.920 10.054 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.094 -2.563 8.423 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.847 -2.894 10.842 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.398 -3.415 10.215 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.273 -5.435 10.544 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.043 -5.148 8.830 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.876 -5.684 9.497 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.834 -3.934 9.567 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.503 -4.055 11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.897 -7.078 10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.752 -7.887 12.248 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.317 -5.101 13.864 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.861 -6.773 14.041 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.494 -3.795 6.746 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.255 -4.321 5.620 1.00 0.00 C ATOM 1087 C ILE A 70 -7.362 -5.841 5.691 1.00 0.00 C ATOM 1088 O ILE A 70 -6.367 -6.534 5.896 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.616 -3.926 4.275 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.354 -2.419 4.234 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.512 -4.345 3.120 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.577 -1.974 3.015 1.00 0.00 C ATOM 0 H ILE A 70 -5.530 -4.125 6.795 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.252 -3.885 5.682 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.662 -4.445 4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.308 -1.892 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.806 -2.129 5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.047 -4.059 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.653 -5.426 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.479 -3.851 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.428 -0.895 3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.608 -2.474 2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.134 -2.232 2.114 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.577 -6.352 5.519 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.814 -7.790 5.562 1.00 0.00 C ATOM 1106 C ASN A 71 -9.396 -8.286 4.242 1.00 0.00 C ATOM 1107 O ASN A 71 -9.690 -7.494 3.345 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.763 -8.137 6.712 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.666 -9.593 7.122 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -8.578 -10.168 7.160 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -10.808 -10.198 7.431 1.00 0.00 N ATOM 0 H ASN A 71 -9.412 -5.792 5.349 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.857 -8.286 5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.536 -7.505 7.570 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.787 -7.914 6.414 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.806 -11.178 7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.687 -9.682 7.386 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.559 -9.600 4.129 1.00 0.00 N ATOM 1119 CA ARG A 72 -10.104 -10.201 2.918 1.00 0.00 C ATOM 1120 C ARG A 72 -11.130 -11.278 3.261 1.00 0.00 C ATOM 1121 O ARG A 72 -10.835 -12.219 3.996 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.981 -10.803 2.072 1.00 0.00 C ATOM 1123 CG ARG A 72 -8.385 -9.828 1.069 1.00 0.00 C ATOM 1124 CD ARG A 72 -6.945 -10.184 0.735 1.00 0.00 C ATOM 1125 NE ARG A 72 -6.856 -11.092 -0.406 1.00 0.00 N ATOM 1126 CZ ARG A 72 -6.961 -12.412 -0.304 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -7.157 -12.975 0.880 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -6.869 -13.172 -1.388 1.00 0.00 N ATOM 0 H ARG A 72 -9.321 -10.269 4.862 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.601 -9.418 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.191 -11.160 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.366 -11.671 1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.983 -9.831 0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.427 -8.817 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.387 -9.273 0.518 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.475 -10.646 1.603 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.705 -10.690 -1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.228 -12.394 1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.237 -13.989 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.717 -12.742 -2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.950 -14.186 -1.309 1.00 0.00 H new ATOM 1142 N ASP A 73 -12.336 -11.131 2.722 1.00 0.00 N ATOM 1143 CA ASP A 73 -13.406 -12.090 2.970 1.00 0.00 C ATOM 1144 C ASP A 73 -13.410 -13.185 1.908 1.00 0.00 C ATOM 1145 O ASP A 73 -14.434 -13.821 1.661 1.00 0.00 O ATOM 1146 CB ASP A 73 -14.760 -11.381 2.994 1.00 0.00 C ATOM 1147 CG ASP A 73 -15.813 -12.167 3.750 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -15.913 -13.392 3.526 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -16.536 -11.559 4.566 1.00 0.00 O ATOM 0 H ASP A 73 -12.597 -10.357 2.111 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.229 -12.551 3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.644 -10.399 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.099 -11.216 1.971 1.00 0.00 H new ATOM 1154 N GLY A 74 -12.257 -13.400 1.281 1.00 0.00 N ATOM 1155 CA GLY A 74 -12.150 -14.418 0.252 1.00 0.00 C ATOM 1156 C GLY A 74 -12.607 -13.920 -1.105 1.00 0.00 C ATOM 1157 O GLY A 74 -11.794 -13.723 -2.008 1.00 0.00 O ATOM 0 H GLY A 74 -11.395 -12.887 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.115 -14.753 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.747 -15.284 0.538 1.00 0.00 H new ATOM 1161 N ARG A 75 -13.913 -13.719 -1.250 1.00 0.00 N ATOM 1162 CA ARG A 75 -14.477 -13.245 -2.508 1.00 0.00 C ATOM 1163 C ARG A 75 -13.866 -11.905 -2.907 1.00 0.00 C ATOM 1164 O ARG A 75 -13.475 -11.707 -4.058 1.00 0.00 O ATOM 1165 CB ARG A 75 -15.997 -13.110 -2.390 1.00 0.00 C ATOM 1166 CG ARG A 75 -16.671 -14.327 -1.780 1.00 0.00 C ATOM 1167 CD ARG A 75 -18.163 -14.344 -2.075 1.00 0.00 C ATOM 1168 NE ARG A 75 -18.438 -14.557 -3.494 1.00 0.00 N ATOM 1169 CZ ARG A 75 -19.654 -14.778 -3.981 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -20.701 -14.815 -3.169 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -19.824 -14.962 -5.284 1.00 0.00 N ATOM 0 H ARG A 75 -14.600 -13.877 -0.512 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.242 -13.976 -3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.229 -12.235 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.415 -12.932 -3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.211 -15.234 -2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.512 -14.330 -0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -18.639 -15.132 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -18.606 -13.400 -1.758 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.654 -14.535 -4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -20.574 -14.674 -2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -21.633 -14.985 -3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.021 -14.934 -5.912 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.758 -15.132 -5.658 1.00 0.00 H new ATOM 1185 N HIS A 76 -13.788 -10.987 -1.949 1.00 0.00 N ATOM 1186 CA HIS A 76 -13.224 -9.665 -2.201 1.00 0.00 C ATOM 1187 C HIS A 76 -12.494 -9.142 -0.968 1.00 0.00 C ATOM 1188 O HIS A 76 -12.393 -9.833 0.047 1.00 0.00 O ATOM 1189 CB HIS A 76 -14.326 -8.687 -2.609 1.00 0.00 C ATOM 1190 CG HIS A 76 -15.140 -9.154 -3.776 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -14.762 -9.684 -4.963 1.00 0.00 N flip ATOM 1192 CD2 HIS A 76 -16.518 -9.100 -3.803 1.00 0.00 C flip ATOM 1193 CE1 HIS A 76 -15.907 -9.939 -5.677 1.00 0.00 C flip ATOM 1194 NE2 HIS A 76 -16.952 -9.578 -4.955 1.00 0.00 N flip ATOM 0 H HIS A 76 -14.108 -11.134 -0.992 1.00 0.00 H new ATOM 0 HA HIS A 76 -12.506 -9.752 -3.016 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.987 -8.522 -1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -13.875 -7.725 -2.853 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.144 -8.725 -3.007 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.946 -10.366 -6.668 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.929 -9.655 -5.239 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.986 -7.918 -1.062 1.00 0.00 N ATOM 1204 CA PHE A 77 -11.263 -7.303 0.045 1.00 0.00 C ATOM 1205 C PHE A 77 -12.220 -6.563 0.976 1.00 0.00 C ATOM 1206 O PHE A 77 -13.372 -6.307 0.624 1.00 0.00 O ATOM 1207 CB PHE A 77 -10.201 -6.337 -0.485 1.00 0.00 C ATOM 1208 CG PHE A 77 -9.015 -7.027 -1.096 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -9.175 -7.883 -2.174 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.741 -6.820 -0.593 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -8.086 -8.520 -2.739 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.648 -7.453 -1.155 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.821 -8.305 -2.228 1.00 0.00 C ATOM 0 H PHE A 77 -12.062 -7.332 -1.894 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.773 -8.096 0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.655 -5.684 -1.230 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.860 -5.701 0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.162 -8.054 -2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.600 -6.157 0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -8.224 -9.185 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.660 -7.281 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.969 -8.802 -2.667 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.735 -6.223 2.166 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.546 -5.513 3.147 1.00 0.00 C ATOM 1225 C VAL A 78 -11.721 -4.464 3.885 1.00 0.00 C ATOM 1226 O VAL A 78 -10.594 -4.728 4.306 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.162 -6.482 4.174 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -13.990 -5.720 5.197 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -14.004 -7.536 3.472 1.00 0.00 C ATOM 0 H VAL A 78 -10.784 -6.428 2.474 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.348 -5.020 2.598 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.353 -6.988 4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.417 -6.421 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.354 -5.007 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.793 -5.185 4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.432 -8.212 4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.807 -7.050 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.378 -8.102 2.782 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.291 -3.274 4.041 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.609 -2.184 4.730 1.00 0.00 C ATOM 1241 C LEU A 79 -12.127 -2.032 6.156 1.00 0.00 C ATOM 1242 O LEU A 79 -11.416 -2.314 7.119 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.797 -0.873 3.964 1.00 0.00 C ATOM 1244 CG LEU A 79 -10.726 0.195 4.187 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -9.372 -0.297 3.702 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -11.109 1.489 3.484 1.00 0.00 C ATOM 0 H LEU A 79 -13.223 -3.040 3.700 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.546 -2.423 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.838 -1.101 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.764 -0.451 4.237 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.655 0.393 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.623 0.477 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.094 -1.196 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.428 -0.525 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.335 2.238 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.209 1.306 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.058 1.851 3.880 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.373 -1.585 6.283 1.00 0.00 N ATOM 1259 CA GLY A 80 -13.967 -1.406 7.595 1.00 0.00 C ATOM 1260 C GLY A 80 -15.221 -2.237 7.782 1.00 0.00 C ATOM 1261 O GLY A 80 -15.152 -3.397 8.190 1.00 0.00 O ATOM 0 H GLY A 80 -13.981 -1.344 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.239 -1.676 8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.208 -0.353 7.741 1.00 0.00 H new ATOM 1265 N THR A 81 -16.373 -1.642 7.486 1.00 0.00 N ATOM 1266 CA THR A 81 -17.648 -2.334 7.626 1.00 0.00 C ATOM 1267 C THR A 81 -18.477 -2.222 6.352 1.00 0.00 C ATOM 1268 O THR A 81 -18.640 -1.134 5.799 1.00 0.00 O ATOM 1269 CB THR A 81 -18.464 -1.773 8.807 1.00 0.00 C ATOM 1270 OG1 THR A 81 -17.714 -1.894 10.021 1.00 0.00 O ATOM 1271 CG2 THR A 81 -19.788 -2.509 8.948 1.00 0.00 C ATOM 0 H THR A 81 -16.449 -0.683 7.148 1.00 0.00 H new ATOM 0 HA THR A 81 -17.420 -3.383 7.816 1.00 0.00 H new ATOM 0 HB THR A 81 -18.670 -0.721 8.611 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.238 -1.534 10.767 1.00 0.00 H new ATOM 0 HG21 THR A 81 -20.346 -2.096 9.788 1.00 0.00 H new ATOM 0 HG22 THR A 81 -20.369 -2.392 8.033 1.00 0.00 H new ATOM 0 HG23 THR A 81 -19.599 -3.568 9.124 1.00 0.00 H new ATOM 1279 N SER A 82 -19.001 -3.354 5.891 1.00 0.00 N ATOM 1280 CA SER A 82 -19.812 -3.383 4.680 1.00 0.00 C ATOM 1281 C SER A 82 -19.065 -2.746 3.511 1.00 0.00 C ATOM 1282 O SER A 82 -19.624 -1.937 2.771 1.00 0.00 O ATOM 1283 CB SER A 82 -21.137 -2.655 4.910 1.00 0.00 C ATOM 1284 OG SER A 82 -21.878 -3.263 5.955 1.00 0.00 O ATOM 0 H SER A 82 -18.878 -4.262 6.338 1.00 0.00 H new ATOM 0 HA SER A 82 -20.016 -4.425 4.434 1.00 0.00 H new ATOM 0 HB2 SER A 82 -20.944 -1.611 5.156 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.724 -2.662 3.992 1.00 0.00 H new ATOM 0 HG SER A 82 -22.720 -2.778 6.084 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.799 -3.119 3.353 1.00 0.00 N ATOM 1291 CA ALA A 83 -16.976 -2.587 2.274 1.00 0.00 C ATOM 1292 C ALA A 83 -16.387 -3.710 1.428 1.00 0.00 C ATOM 1293 O ALA A 83 -15.378 -4.313 1.795 1.00 0.00 O ATOM 1294 CB ALA A 83 -15.867 -1.711 2.839 1.00 0.00 C ATOM 0 H ALA A 83 -17.322 -3.787 3.958 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.612 -1.979 1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.260 -1.320 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.306 -0.882 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.240 -2.303 3.506 1.00 0.00 H new ATOM 1300 N TYR A 84 -17.023 -3.987 0.295 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.562 -5.040 -0.602 1.00 0.00 C ATOM 1302 C TYR A 84 -15.891 -4.449 -1.838 1.00 0.00 C ATOM 1303 O TYR A 84 -16.366 -3.466 -2.406 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.734 -5.930 -1.021 1.00 0.00 C ATOM 1305 CG TYR A 84 -18.023 -7.050 -0.047 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -18.035 -6.820 1.323 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -18.284 -8.338 -0.497 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -18.297 -7.840 2.217 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -18.548 -9.365 0.389 1.00 0.00 C ATOM 1310 CZ TYR A 84 -18.554 -9.111 1.745 1.00 0.00 C ATOM 1311 OH TYR A 84 -18.817 -10.130 2.631 1.00 0.00 O ATOM 0 H TYR A 84 -17.859 -3.497 -0.024 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.829 -5.643 -0.067 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.627 -5.314 -1.128 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -17.522 -6.358 -2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -17.836 -5.826 1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -18.281 -8.540 -1.558 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.301 -7.644 3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -18.748 -10.361 0.022 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.986 -10.399 3.076 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.783 -5.057 -2.249 1.00 0.00 N ATOM 1322 CA PHE A 85 -14.044 -4.593 -3.417 1.00 0.00 C ATOM 1323 C PHE A 85 -13.164 -5.704 -3.981 1.00 0.00 C ATOM 1324 O PHE A 85 -12.307 -6.244 -3.283 1.00 0.00 O ATOM 1325 CB PHE A 85 -13.185 -3.380 -3.054 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.981 -2.213 -2.543 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.704 -1.415 -3.415 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -14.006 -1.914 -1.190 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -15.436 -0.340 -2.947 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.737 -0.841 -0.716 1.00 0.00 C ATOM 1331 CZ PHE A 85 -15.454 -0.054 -1.596 1.00 0.00 C ATOM 0 H PHE A 85 -14.377 -5.873 -1.790 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.765 -4.303 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.458 -3.673 -2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.621 -3.068 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -14.695 -1.635 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.448 -2.527 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.993 0.276 -3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.748 -0.618 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 85 -16.028 0.784 -1.228 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.383 -6.038 -5.249 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.610 -7.086 -5.906 1.00 0.00 C ATOM 1343 C GLU A 86 -11.137 -7.003 -5.515 1.00 0.00 C ATOM 1344 O GLU A 86 -10.460 -8.022 -5.385 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.752 -6.978 -7.426 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.082 -8.113 -8.182 1.00 0.00 C ATOM 1347 CD GLU A 86 -12.873 -9.405 -8.116 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -14.111 -9.336 -7.966 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -12.254 -10.485 -8.216 1.00 0.00 O ATOM 0 H GLU A 86 -14.088 -5.599 -5.841 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.001 -8.049 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.811 -6.957 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.325 -6.031 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.953 -7.823 -9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.086 -8.280 -7.772 1.00 0.00 H new ATOM 1356 N SER A 87 -10.649 -5.781 -5.328 1.00 0.00 N ATOM 1357 CA SER A 87 -9.256 -5.563 -4.956 1.00 0.00 C ATOM 1358 C SER A 87 -9.049 -4.145 -4.433 1.00 0.00 C ATOM 1359 O SER A 87 -9.958 -3.315 -4.476 1.00 0.00 O ATOM 1360 CB SER A 87 -8.340 -5.815 -6.155 1.00 0.00 C ATOM 1361 OG SER A 87 -8.176 -4.638 -6.928 1.00 0.00 O ATOM 0 H SER A 87 -11.198 -4.927 -5.428 1.00 0.00 H new ATOM 0 HA SER A 87 -9.004 -6.265 -4.161 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.368 -6.164 -5.807 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.759 -6.607 -6.776 1.00 0.00 H new ATOM 0 HG SER A 87 -7.585 -4.825 -7.687 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.846 -3.873 -3.938 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.518 -2.555 -3.405 1.00 0.00 C ATOM 1369 C LEU A 88 -7.793 -1.467 -4.438 1.00 0.00 C ATOM 1370 O LEU A 88 -8.181 -0.351 -4.091 1.00 0.00 O ATOM 1371 CB LEU A 88 -6.050 -2.509 -2.976 1.00 0.00 C ATOM 1372 CG LEU A 88 -5.631 -3.517 -1.906 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.145 -3.821 -2.012 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -5.973 -2.994 -0.518 1.00 0.00 C ATOM 0 H LEU A 88 -7.082 -4.547 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.150 -2.373 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.430 -2.667 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.831 -1.507 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.183 -4.443 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.865 -4.540 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.928 -4.239 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.575 -2.902 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.668 -3.724 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.449 -2.054 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.048 -2.828 -0.446 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.590 -1.799 -5.709 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.819 -0.851 -6.793 1.00 0.00 C ATOM 1388 C VAL A 89 -9.194 -0.204 -6.675 1.00 0.00 C ATOM 1389 O VAL A 89 -9.310 1.017 -6.583 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.700 -1.533 -8.169 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -8.048 -0.555 -9.281 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.301 -2.099 -8.363 1.00 0.00 C ATOM 0 H VAL A 89 -7.267 -2.718 -6.013 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.051 -0.082 -6.710 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.410 -2.359 -8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.958 -1.054 -10.246 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.071 -0.202 -9.148 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.364 0.293 -9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.234 -2.577 -9.340 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.571 -1.292 -8.303 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.095 -2.834 -7.585 1.00 0.00 H new ATOM 1402 N GLU A 90 -10.234 -1.033 -6.680 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.603 -0.540 -6.574 1.00 0.00 C ATOM 1404 C GLU A 90 -11.787 0.287 -5.305 1.00 0.00 C ATOM 1405 O GLU A 90 -12.178 1.454 -5.362 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.591 -1.708 -6.583 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.993 -2.155 -7.978 1.00 0.00 C ATOM 1408 CD GLU A 90 -13.983 -1.210 -8.631 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -14.065 -0.043 -8.193 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -14.675 -1.637 -9.579 1.00 0.00 O ATOM 0 H GLU A 90 -10.155 -2.047 -6.756 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.800 0.099 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.148 -2.552 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.486 -1.420 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.102 -2.230 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.430 -3.152 -7.924 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.503 -0.326 -4.161 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.638 0.353 -2.876 1.00 0.00 C ATOM 1419 C LEU A 91 -11.091 1.775 -2.951 1.00 0.00 C ATOM 1420 O LEU A 91 -11.731 2.722 -2.495 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.906 -0.430 -1.785 1.00 0.00 C ATOM 1422 CG LEU A 91 -11.081 0.086 -0.356 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.831 -1.028 0.648 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -10.149 1.260 -0.095 1.00 0.00 C ATOM 0 H LEU A 91 -11.178 -1.291 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.698 0.404 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.244 -1.466 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.842 -0.434 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.108 0.430 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.960 -0.642 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.539 -1.839 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.814 -1.403 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.287 1.614 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.116 0.942 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.376 2.066 -0.792 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.904 1.917 -3.532 1.00 0.00 N ATOM 1437 CA VAL A 92 -9.272 3.224 -3.671 1.00 0.00 C ATOM 1438 C VAL A 92 -10.049 4.110 -4.637 1.00 0.00 C ATOM 1439 O VAL A 92 -10.498 5.197 -4.274 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.819 3.095 -4.165 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -7.185 4.468 -4.323 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -7.007 2.231 -3.211 1.00 0.00 C ATOM 0 H VAL A 92 -9.360 1.143 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.272 3.683 -2.682 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.827 2.610 -5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.159 4.357 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.754 5.050 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.187 4.982 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.983 2.150 -3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.005 2.686 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.451 1.237 -3.153 1.00 0.00 H new ATOM 1452 N SER A 93 -10.205 3.638 -5.870 1.00 0.00 N ATOM 1453 CA SER A 93 -10.926 4.389 -6.891 1.00 0.00 C ATOM 1454 C SER A 93 -12.299 4.818 -6.382 1.00 0.00 C ATOM 1455 O SER A 93 -12.850 5.826 -6.824 1.00 0.00 O ATOM 1456 CB SER A 93 -11.080 3.548 -8.159 1.00 0.00 C ATOM 1457 OG SER A 93 -11.718 2.315 -7.879 1.00 0.00 O ATOM 0 H SER A 93 -9.842 2.739 -6.186 1.00 0.00 H new ATOM 0 HA SER A 93 -10.348 5.283 -7.125 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.660 4.101 -8.898 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.099 3.362 -8.597 1.00 0.00 H new ATOM 0 HG SER A 93 -11.886 2.245 -6.916 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.845 4.046 -5.449 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.154 4.343 -4.881 1.00 0.00 C ATOM 1465 C TYR A 94 -14.057 5.456 -3.842 1.00 0.00 C ATOM 1466 O TYR A 94 -14.596 6.547 -4.033 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.754 3.088 -4.245 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.099 3.322 -3.594 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -17.198 3.717 -4.347 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -16.271 3.148 -2.227 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -18.428 3.933 -3.757 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -17.498 3.360 -1.628 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.573 3.753 -2.397 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.797 3.966 -1.806 1.00 0.00 O ATOM 0 H TYR A 94 -12.401 3.210 -5.070 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.804 4.680 -5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.859 2.318 -5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -14.060 2.703 -3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -17.088 3.858 -5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -15.431 2.842 -1.621 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.272 4.241 -4.357 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -17.614 3.219 -0.564 1.00 0.00 H new ATOM 0 HH TYR A 94 -19.730 3.795 -0.843 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.366 5.173 -2.744 1.00 0.00 N ATOM 1485 CA TYR A 95 -13.199 6.149 -1.673 1.00 0.00 C ATOM 1486 C TYR A 95 -12.781 7.505 -2.233 1.00 0.00 C ATOM 1487 O TYR A 95 -12.972 8.538 -1.592 1.00 0.00 O ATOM 1488 CB TYR A 95 -12.158 5.658 -0.665 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.743 4.819 0.448 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.202 3.530 0.206 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -12.835 5.315 1.743 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.738 2.760 1.221 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -13.368 4.552 2.764 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.819 3.276 2.498 1.00 0.00 C ATOM 1495 OH TYR A 95 -14.350 2.512 3.511 1.00 0.00 O ATOM 0 H TYR A 95 -12.912 4.276 -2.572 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.158 6.264 -1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.403 5.074 -1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.650 6.519 -0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.139 3.123 -0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -12.484 6.314 1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -14.091 1.760 1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -13.431 4.953 3.765 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.933 2.761 4.362 1.00 0.00 H new ATOM 1505 N GLU A 96 -12.210 7.492 -3.433 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.764 8.721 -4.079 1.00 0.00 C ATOM 1507 C GLU A 96 -12.883 9.758 -4.107 1.00 0.00 C ATOM 1508 O GLU A 96 -12.630 10.963 -4.076 1.00 0.00 O ATOM 1509 CB GLU A 96 -11.288 8.431 -5.505 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.812 8.081 -5.594 1.00 0.00 C ATOM 1511 CD GLU A 96 -9.240 8.316 -6.979 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -10.034 8.514 -7.922 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -8.000 8.300 -7.119 1.00 0.00 O ATOM 0 H GLU A 96 -12.045 6.645 -3.977 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.933 9.124 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.873 7.608 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.484 9.303 -6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.257 8.677 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.673 7.035 -5.320 1.00 0.00 H new ATOM 1520 N LYS A 97 -14.122 9.281 -4.165 1.00 0.00 N ATOM 1521 CA LYS A 97 -15.282 10.165 -4.196 1.00 0.00 C ATOM 1522 C LYS A 97 -15.736 10.516 -2.783 1.00 0.00 C ATOM 1523 O LYS A 97 -15.819 11.690 -2.421 1.00 0.00 O ATOM 1524 CB LYS A 97 -16.430 9.506 -4.963 1.00 0.00 C ATOM 1525 CG LYS A 97 -16.174 9.383 -6.455 1.00 0.00 C ATOM 1526 CD LYS A 97 -15.108 8.343 -6.754 1.00 0.00 C ATOM 1527 CE LYS A 97 -14.990 8.078 -8.247 1.00 0.00 C ATOM 1528 NZ LYS A 97 -16.290 7.658 -8.841 1.00 0.00 N ATOM 0 H LYS A 97 -14.349 8.287 -4.192 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.994 11.085 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.608 8.513 -4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.340 10.085 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.100 9.113 -6.963 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.863 10.349 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -14.148 8.683 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.349 7.414 -6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.636 8.979 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.244 7.302 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.130 6.878 -9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.930 7.340 -8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.719 8.462 -9.342 1.00 0.00 H new ATOM 1542 N HIS A 98 -16.027 9.492 -1.988 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.471 9.693 -0.613 1.00 0.00 C ATOM 1544 C HIS A 98 -15.292 10.031 0.294 1.00 0.00 C ATOM 1545 O HIS A 98 -14.150 10.105 -0.158 1.00 0.00 O ATOM 1546 CB HIS A 98 -17.185 8.443 -0.097 1.00 0.00 C ATOM 1547 CG HIS A 98 -18.524 8.215 -0.727 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -19.137 6.980 -0.765 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -19.369 9.072 -1.346 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -20.301 7.088 -1.381 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -20.466 8.347 -1.743 1.00 0.00 N ATOM 0 H HIS A 98 -15.963 8.514 -2.272 1.00 0.00 H new ATOM 0 HA HIS A 98 -17.168 10.531 -0.601 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.554 7.573 -0.279 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.310 8.526 0.983 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -19.210 10.129 -1.499 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -20.999 6.283 -1.558 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -21.276 8.721 -2.237 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.578 10.236 1.576 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.541 10.565 2.546 1.00 0.00 C ATOM 1562 C ALA A 99 -13.832 9.309 3.040 1.00 0.00 C ATOM 1563 O ALA A 99 -14.315 8.193 2.842 1.00 0.00 O ATOM 1564 CB ALA A 99 -15.138 11.331 3.718 1.00 0.00 C ATOM 0 H ALA A 99 -16.519 10.180 1.966 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.803 11.196 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.352 11.570 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.592 12.253 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.898 10.719 4.204 1.00 0.00 H new ATOM 1570 N LEU A 100 -12.684 9.496 3.681 1.00 0.00 N ATOM 1571 CA LEU A 100 -11.907 8.377 4.203 1.00 0.00 C ATOM 1572 C LEU A 100 -11.814 8.441 5.724 1.00 0.00 C ATOM 1573 O LEU A 100 -12.172 7.489 6.419 1.00 0.00 O ATOM 1574 CB LEU A 100 -10.504 8.376 3.594 1.00 0.00 C ATOM 1575 CG LEU A 100 -9.495 7.422 4.234 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -9.910 5.977 4.007 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.100 7.672 3.680 1.00 0.00 C ATOM 0 H LEU A 100 -12.270 10.412 3.852 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.416 7.454 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.589 8.127 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.104 9.388 3.652 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.476 7.609 5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.180 5.312 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.890 5.806 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.957 5.776 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.395 6.984 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.103 7.513 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.802 8.698 3.894 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.332 9.568 6.235 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.192 9.757 7.674 1.00 0.00 C ATOM 1591 C TYR A 101 -12.337 10.599 8.228 1.00 0.00 C ATOM 1592 O TYR A 101 -13.204 10.094 8.942 1.00 0.00 O ATOM 1593 CB TYR A 101 -9.853 10.424 7.994 1.00 0.00 C ATOM 1594 CG TYR A 101 -9.812 11.078 9.356 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -10.335 10.438 10.472 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.251 12.338 9.527 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -10.301 11.033 11.719 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.211 12.940 10.769 1.00 0.00 C ATOM 1599 CZ TYR A 101 -9.737 12.283 11.862 1.00 0.00 C ATOM 1600 OH TYR A 101 -9.700 12.879 13.102 1.00 0.00 O ATOM 0 H TYR A 101 -11.031 10.365 5.674 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.225 8.776 8.148 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -9.061 9.677 7.935 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.640 11.175 7.233 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -10.776 9.458 10.364 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.839 12.855 8.673 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -10.714 10.522 12.576 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.771 13.919 10.884 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.269 13.756 13.031 1.00 0.00 H new ATOM 1610 N ARG A 102 -12.334 11.884 7.892 1.00 0.00 N ATOM 1611 CA ARG A 102 -13.371 12.798 8.355 1.00 0.00 C ATOM 1612 C ARG A 102 -13.939 13.609 7.194 1.00 0.00 C ATOM 1613 O ARG A 102 -15.053 13.357 6.733 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.812 13.739 9.424 1.00 0.00 C ATOM 1615 CG ARG A 102 -12.924 13.191 10.837 1.00 0.00 C ATOM 1616 CD ARG A 102 -12.578 14.249 11.874 1.00 0.00 C ATOM 1617 NE ARG A 102 -13.123 13.925 13.189 1.00 0.00 N ATOM 1618 CZ ARG A 102 -13.160 14.784 14.201 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -12.686 16.013 14.049 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -13.672 14.415 15.368 1.00 0.00 N ATOM 0 H ARG A 102 -11.625 12.316 7.300 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.176 12.204 8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.764 13.943 9.204 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -13.340 14.691 9.370 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.938 12.829 11.009 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.257 12.336 10.951 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.495 14.347 11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.965 15.215 11.549 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.496 12.987 13.339 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.292 16.300 13.153 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.716 16.671 14.828 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.038 13.471 15.489 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.700 15.076 16.145 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.167 14.585 6.727 1.00 0.00 N ATOM 1635 CA LYS A 103 -13.592 15.433 5.620 1.00 0.00 C ATOM 1636 C LYS A 103 -12.672 15.257 4.416 1.00 0.00 C ATOM 1637 O LYS A 103 -13.055 15.550 3.284 1.00 0.00 O ATOM 1638 CB LYS A 103 -13.607 16.901 6.053 1.00 0.00 C ATOM 1639 CG LYS A 103 -14.866 17.301 6.803 1.00 0.00 C ATOM 1640 CD LYS A 103 -15.082 18.804 6.770 1.00 0.00 C ATOM 1641 CE LYS A 103 -16.054 19.252 7.850 1.00 0.00 C ATOM 1642 NZ LYS A 103 -17.461 18.903 7.510 1.00 0.00 N ATOM 0 H LYS A 103 -12.244 14.808 7.098 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.600 15.135 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.741 17.093 6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.504 17.532 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -15.728 16.799 6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -14.796 16.965 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.127 19.313 6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.464 19.096 5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.783 18.787 8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.971 20.330 7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.092 19.225 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.728 19.367 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -17.547 17.872 7.402 1.00 0.00 H new ATOM 1656 N MET A 104 -11.460 14.776 4.669 1.00 0.00 N ATOM 1657 CA MET A 104 -10.487 14.558 3.604 1.00 0.00 C ATOM 1658 C MET A 104 -10.679 13.186 2.965 1.00 0.00 C ATOM 1659 O MET A 104 -11.599 12.450 3.319 1.00 0.00 O ATOM 1660 CB MET A 104 -9.064 14.684 4.151 1.00 0.00 C ATOM 1661 CG MET A 104 -8.629 13.496 4.993 1.00 0.00 C ATOM 1662 SD MET A 104 -6.842 13.252 4.980 1.00 0.00 S ATOM 1663 CE MET A 104 -6.704 11.819 3.916 1.00 0.00 C ATOM 0 H MET A 104 -11.128 14.530 5.601 1.00 0.00 H new ATOM 0 HA MET A 104 -10.644 15.320 2.841 1.00 0.00 H new ATOM 0 HB2 MET A 104 -8.372 14.800 3.317 1.00 0.00 H new ATOM 0 HB3 MET A 104 -8.994 15.590 4.752 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.964 13.641 6.020 1.00 0.00 H new ATOM 0 HG3 MET A 104 -9.118 12.595 4.623 1.00 0.00 H new ATOM 0 HE1 MET A 104 -5.672 11.469 3.909 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.353 11.026 4.288 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.003 12.088 2.903 1.00 0.00 H new ATOM 1673 N ARG A 105 -9.805 12.851 2.021 1.00 0.00 N ATOM 1674 CA ARG A 105 -9.880 11.568 1.332 1.00 0.00 C ATOM 1675 C ARG A 105 -8.678 11.375 0.412 1.00 0.00 C ATOM 1676 O ARG A 105 -7.785 12.221 0.353 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.175 11.475 0.523 1.00 0.00 C ATOM 1678 CG ARG A 105 -11.336 12.587 -0.500 1.00 0.00 C ATOM 1679 CD ARG A 105 -12.786 12.744 -0.929 1.00 0.00 C ATOM 1680 NE ARG A 105 -12.988 13.931 -1.756 1.00 0.00 N ATOM 1681 CZ ARG A 105 -12.998 15.168 -1.274 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -12.819 15.380 0.022 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -13.187 16.198 -2.090 1.00 0.00 N ATOM 0 H ARG A 105 -9.037 13.450 1.716 1.00 0.00 H new ATOM 0 HA ARG A 105 -9.872 10.779 2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.204 10.514 0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.023 11.497 1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.977 13.526 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.719 12.372 -1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.098 11.859 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.421 12.806 -0.045 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.129 13.803 -2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.673 14.592 0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.827 16.332 0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.325 16.039 -3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.195 17.148 -1.719 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.662 10.256 -0.304 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.570 9.950 -1.221 1.00 0.00 C ATOM 1699 C LEU A 106 -7.511 10.968 -2.356 1.00 0.00 C ATOM 1700 O LEU A 106 -8.406 11.024 -3.200 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.736 8.541 -1.793 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.156 7.459 -0.797 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -8.045 6.080 -1.430 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -7.309 7.538 0.465 1.00 0.00 C ATOM 0 H LEU A 106 -9.393 9.546 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.635 10.000 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.477 8.579 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.792 8.241 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.197 7.628 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.348 5.322 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.694 6.028 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.013 5.901 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.622 6.761 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.259 7.394 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.438 8.516 0.929 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.450 11.768 -2.372 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.274 12.783 -3.404 1.00 0.00 C ATOM 1718 C ARG A 107 -4.877 12.703 -4.013 1.00 0.00 C ATOM 1719 O ARG A 107 -4.696 12.933 -5.209 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.510 14.178 -2.823 1.00 0.00 C ATOM 1721 CG ARG A 107 -7.963 14.621 -2.873 1.00 0.00 C ATOM 1722 CD ARG A 107 -8.081 16.132 -3.001 1.00 0.00 C ATOM 1723 NE ARG A 107 -9.347 16.629 -2.469 1.00 0.00 N ATOM 1724 CZ ARG A 107 -9.534 17.882 -2.067 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -8.542 18.759 -2.138 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -10.715 18.259 -1.595 1.00 0.00 N ATOM 0 H ARG A 107 -5.699 11.733 -1.682 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.005 12.596 -4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.170 14.193 -1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.901 14.898 -3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.461 14.143 -3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.477 14.290 -1.970 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.254 16.606 -2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.992 16.415 -4.050 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.130 15.979 -2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.633 18.473 -2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.688 19.720 -1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.480 17.587 -1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.858 19.221 -1.287 1.00 0.00 H new ATOM 1740 N TYR A 108 -3.894 12.377 -3.181 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.513 12.270 -3.636 1.00 0.00 C ATOM 1742 C TYR A 108 -1.886 10.958 -3.172 1.00 0.00 C ATOM 1743 O TYR A 108 -1.393 10.839 -2.051 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.690 13.452 -3.120 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.300 14.798 -3.436 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.110 15.395 -4.676 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -3.068 15.474 -2.495 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -2.665 16.626 -4.969 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.627 16.704 -2.779 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.423 17.276 -4.018 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.979 18.502 -4.306 1.00 0.00 O ATOM 0 H TYR A 108 -4.028 12.182 -2.189 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.515 12.286 -4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.574 13.359 -2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.691 13.405 -3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.518 14.888 -5.424 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.230 15.029 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.506 17.077 -5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.221 17.216 -2.036 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.483 18.823 -3.530 1.00 0.00 H new ATOM 1761 N PRO A 109 -1.906 9.950 -4.056 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.343 8.628 -3.761 1.00 0.00 C ATOM 1763 C PRO A 109 0.179 8.652 -3.674 1.00 0.00 C ATOM 1764 O PRO A 109 0.868 8.723 -4.692 1.00 0.00 O ATOM 1765 CB PRO A 109 -1.798 7.776 -4.949 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.001 8.751 -6.058 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.478 10.021 -5.411 1.00 0.00 C ATOM 0 HA PRO A 109 -1.676 8.249 -2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.049 7.029 -5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.718 7.238 -4.721 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.074 8.917 -6.606 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.733 8.380 -6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.128 10.902 -5.949 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.566 10.075 -5.385 1.00 0.00 H new ATOM 1775 N VAL A 110 0.698 8.593 -2.452 1.00 0.00 N ATOM 1776 CA VAL A 110 2.139 8.607 -2.232 1.00 0.00 C ATOM 1777 C VAL A 110 2.853 7.678 -3.209 1.00 0.00 C ATOM 1778 O VAL A 110 2.542 6.490 -3.294 1.00 0.00 O ATOM 1779 CB VAL A 110 2.492 8.188 -0.793 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.998 8.210 -0.583 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.792 9.092 0.211 1.00 0.00 C ATOM 0 H VAL A 110 0.142 8.535 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 110 2.474 9.631 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 110 2.143 7.168 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.227 7.911 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.472 7.518 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.375 9.217 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.052 8.782 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 110 2.109 10.123 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.713 9.019 0.076 1.00 0.00 H new ATOM 1791 N THR A 111 3.813 8.228 -3.946 1.00 0.00 N ATOM 1792 CA THR A 111 4.571 7.450 -4.917 1.00 0.00 C ATOM 1793 C THR A 111 6.067 7.520 -4.631 1.00 0.00 C ATOM 1794 O THR A 111 6.554 8.434 -3.966 1.00 0.00 O ATOM 1795 CB THR A 111 4.312 7.940 -6.354 1.00 0.00 C ATOM 1796 OG1 THR A 111 4.132 9.361 -6.363 1.00 0.00 O ATOM 1797 CG2 THR A 111 3.083 7.265 -6.943 1.00 0.00 C ATOM 0 H THR A 111 4.084 9.210 -3.889 1.00 0.00 H new ATOM 0 HA THR A 111 4.234 6.417 -4.826 1.00 0.00 H new ATOM 0 HB THR A 111 5.177 7.680 -6.964 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.970 9.664 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.920 7.627 -7.958 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.235 6.186 -6.963 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.212 7.498 -6.331 1.00 0.00 H new ATOM 1805 N PRO A 112 6.815 6.531 -5.143 1.00 0.00 N ATOM 1806 CA PRO A 112 8.267 6.459 -4.956 1.00 0.00 C ATOM 1807 C PRO A 112 9.006 7.549 -5.725 1.00 0.00 C ATOM 1808 O PRO A 112 10.188 7.793 -5.490 1.00 0.00 O ATOM 1809 CB PRO A 112 8.627 5.077 -5.507 1.00 0.00 C ATOM 1810 CG PRO A 112 7.548 4.767 -6.486 1.00 0.00 C ATOM 1811 CD PRO A 112 6.301 5.408 -5.945 1.00 0.00 C ATOM 0 HA PRO A 112 8.552 6.605 -3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.606 5.085 -5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.667 4.332 -4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.792 5.160 -7.473 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.418 3.690 -6.595 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.646 5.752 -6.746 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.722 4.712 -5.338 1.00 0.00 H new ATOM 1819 N GLU A 113 8.300 8.200 -6.644 1.00 0.00 N ATOM 1820 CA GLU A 113 8.890 9.264 -7.447 1.00 0.00 C ATOM 1821 C GLU A 113 8.696 10.622 -6.779 1.00 0.00 C ATOM 1822 O GLU A 113 9.518 11.526 -6.934 1.00 0.00 O ATOM 1823 CB GLU A 113 8.273 9.279 -8.847 1.00 0.00 C ATOM 1824 CG GLU A 113 8.874 8.249 -9.789 1.00 0.00 C ATOM 1825 CD GLU A 113 8.594 8.558 -11.246 1.00 0.00 C ATOM 1826 OE1 GLU A 113 7.431 8.879 -11.572 1.00 0.00 O ATOM 1827 OE2 GLU A 113 9.536 8.479 -12.062 1.00 0.00 O ATOM 0 H GLU A 113 7.320 8.009 -6.851 1.00 0.00 H new ATOM 0 HA GLU A 113 9.959 9.070 -7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 113 7.201 9.101 -8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.399 10.272 -9.280 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.952 8.203 -9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.475 7.264 -9.547 1.00 0.00 H new ATOM 1834 N LEU A 114 7.603 10.758 -6.036 1.00 0.00 N ATOM 1835 CA LEU A 114 7.299 12.006 -5.344 1.00 0.00 C ATOM 1836 C LEU A 114 8.308 12.271 -4.230 1.00 0.00 C ATOM 1837 O LEU A 114 8.910 13.343 -4.165 1.00 0.00 O ATOM 1838 CB LEU A 114 5.884 11.960 -4.766 1.00 0.00 C ATOM 1839 CG LEU A 114 5.387 13.245 -4.103 1.00 0.00 C ATOM 1840 CD1 LEU A 114 4.816 14.195 -5.143 1.00 0.00 C ATOM 1841 CD2 LEU A 114 4.347 12.928 -3.038 1.00 0.00 C ATOM 0 H LEU A 114 6.913 10.020 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 114 7.363 12.819 -6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.194 11.699 -5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.839 11.155 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 114 6.234 13.734 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.467 15.104 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.589 14.448 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.981 13.716 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.005 13.854 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.501 12.417 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.790 12.286 -2.277 1.00 0.00 H new ATOM 1853 N LEU A 115 8.489 11.286 -3.357 1.00 0.00 N ATOM 1854 CA LEU A 115 9.426 11.411 -2.247 1.00 0.00 C ATOM 1855 C LEU A 115 10.745 12.018 -2.713 1.00 0.00 C ATOM 1856 O LEU A 115 11.291 12.911 -2.066 1.00 0.00 O ATOM 1857 CB LEU A 115 9.679 10.043 -1.610 1.00 0.00 C ATOM 1858 CG LEU A 115 8.715 9.632 -0.497 1.00 0.00 C ATOM 1859 CD1 LEU A 115 8.983 10.437 0.765 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.272 9.809 -0.948 1.00 0.00 C ATOM 0 H LEU A 115 7.999 10.392 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 115 8.984 12.075 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.641 9.287 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.692 10.034 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 115 8.878 8.578 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.287 10.131 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.005 10.260 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.849 11.498 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.600 9.512 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.095 10.855 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.086 9.188 -1.824 1.00 0.00 H new ATOM 1872 N GLU A 116 11.250 11.529 -3.841 1.00 0.00 N ATOM 1873 CA GLU A 116 12.505 12.025 -4.395 1.00 0.00 C ATOM 1874 C GLU A 116 12.332 13.434 -4.956 1.00 0.00 C ATOM 1875 O GLU A 116 13.111 14.336 -4.649 1.00 0.00 O ATOM 1876 CB GLU A 116 13.012 11.086 -5.491 1.00 0.00 C ATOM 1877 CG GLU A 116 13.086 9.631 -5.059 1.00 0.00 C ATOM 1878 CD GLU A 116 14.371 9.305 -4.323 1.00 0.00 C ATOM 1879 OE1 GLU A 116 14.832 10.152 -3.531 1.00 0.00 O ATOM 1880 OE2 GLU A 116 14.915 8.202 -4.541 1.00 0.00 O ATOM 0 H GLU A 116 10.810 10.790 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 116 13.239 12.060 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.357 11.166 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.002 11.413 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.236 9.403 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.002 8.991 -5.937 1.00 0.00 H new ATOM 1887 N ARG A 117 11.306 13.613 -5.782 1.00 0.00 N ATOM 1888 CA ARG A 117 11.031 14.910 -6.389 1.00 0.00 C ATOM 1889 C ARG A 117 10.779 15.968 -5.319 1.00 0.00 C ATOM 1890 O ARG A 117 10.953 17.163 -5.560 1.00 0.00 O ATOM 1891 CB ARG A 117 9.823 14.815 -7.322 1.00 0.00 C ATOM 1892 CG ARG A 117 9.315 16.165 -7.800 1.00 0.00 C ATOM 1893 CD ARG A 117 8.354 16.016 -8.969 1.00 0.00 C ATOM 1894 NE ARG A 117 9.047 16.034 -10.254 1.00 0.00 N ATOM 1895 CZ ARG A 117 8.436 15.871 -11.422 1.00 0.00 C ATOM 1896 NH1 ARG A 117 7.125 15.679 -11.466 1.00 0.00 N ATOM 1897 NH2 ARG A 117 9.136 15.900 -12.549 1.00 0.00 N ATOM 0 H ARG A 117 10.652 12.876 -6.046 1.00 0.00 H new ATOM 0 HA ARG A 117 11.906 15.205 -6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 117 10.090 14.210 -8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.016 14.295 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.814 16.678 -6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.158 16.788 -8.098 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.803 15.081 -8.868 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.622 16.823 -8.941 1.00 0.00 H new ATOM 0 HE ARG A 117 10.057 16.180 -10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.584 15.656 -10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.658 15.554 -12.364 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.145 16.048 -12.519 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.665 15.775 -13.445 1.00 0.00 H new ATOM 1911 N TYR A 118 10.368 15.521 -4.138 1.00 0.00 N ATOM 1912 CA TYR A 118 10.089 16.429 -3.032 1.00 0.00 C ATOM 1913 C TYR A 118 11.242 16.442 -2.033 1.00 0.00 C ATOM 1914 O TYR A 118 11.082 16.864 -0.888 1.00 0.00 O ATOM 1915 CB TYR A 118 8.794 16.024 -2.326 1.00 0.00 C ATOM 1916 CG TYR A 118 7.544 16.447 -3.064 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.534 16.551 -4.450 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.374 16.744 -2.376 1.00 0.00 C ATOM 1919 CE1 TYR A 118 6.395 16.938 -5.129 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.230 17.130 -3.047 1.00 0.00 C ATOM 1921 CZ TYR A 118 5.245 17.226 -4.423 1.00 0.00 C ATOM 1922 OH TYR A 118 4.108 17.612 -5.094 1.00 0.00 O ATOM 0 H TYR A 118 10.221 14.535 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 118 9.974 17.433 -3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.782 14.941 -2.200 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.782 16.462 -1.328 1.00 0.00 H new ATOM 0 HD1 TYR A 118 8.432 16.325 -5.006 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.359 16.672 -1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.405 17.015 -6.206 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.328 17.356 -2.497 1.00 0.00 H new ATOM 0 HH TYR A 118 3.388 17.776 -4.450 1.00 0.00 H new ATOM 1932 N SER A 119 12.406 15.978 -2.477 1.00 0.00 N ATOM 1933 CA SER A 119 13.587 15.933 -1.623 1.00 0.00 C ATOM 1934 C SER A 119 14.405 17.214 -1.759 1.00 0.00 C ATOM 1935 O SER A 119 15.627 17.172 -1.893 1.00 0.00 O ATOM 1936 CB SER A 119 14.453 14.722 -1.977 1.00 0.00 C ATOM 1937 OG SER A 119 15.194 14.279 -0.853 1.00 0.00 O ATOM 0 H SER A 119 12.556 15.628 -3.423 1.00 0.00 H new ATOM 0 HA SER A 119 13.254 15.843 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.820 13.913 -2.341 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.135 14.983 -2.786 1.00 0.00 H new ATOM 0 HG SER A 119 15.738 13.504 -1.105 1.00 0.00 H new