USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 875 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 58 THR OG1 : rot -88:sc= 0.983 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -2.42 K(o=-1.4,f=-5.8!) USER MOD Single : A 14 ASN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-1.4) USER MOD Single : A 18 SER OG : rot -12:sc= 0.625 USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= -3.42! (180deg=-5.45!) USER MOD Single : A 22 TYR OH : rot 180:sc=-0.000584 USER MOD Single : A 23 TYR OH : rot -89:sc= 0.00388 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -111:sc= -1.27 (180deg=-4.89!) 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 -26:sc= 0.0365 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 142:sc= -0.487 (180deg=-1.99!) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0364 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -2.95! C(o=-2.9!,f=-3.7!) 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 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.41 X(o=-0.41,f=0.054) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -129:sc= -0.0017 (180deg=-1.86) 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= -0.129 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -3.833 -10.028 -9.456 1.00 0.00 N ATOM 151 CA ASN A 14 -3.509 -8.950 -8.528 1.00 0.00 C ATOM 152 C ASN A 14 -2.863 -7.778 -9.261 1.00 0.00 C ATOM 153 O ASN A 14 -1.642 -7.615 -9.268 1.00 0.00 O ATOM 154 CB ASN A 14 -2.573 -9.458 -7.430 1.00 0.00 C ATOM 155 CG ASN A 14 -3.139 -10.660 -6.698 1.00 0.00 C ATOM 156 OD1 ASN A 14 -2.447 -11.656 -6.491 1.00 0.00 O ATOM 157 ND2 ASN A 14 -4.404 -10.570 -6.304 1.00 0.00 N ATOM 0 HA ASN A 14 -4.437 -8.604 -8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.612 -9.723 -7.870 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.386 -8.656 -6.716 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.840 -11.347 -5.808 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.940 -9.724 -6.498 1.00 0.00 H new ATOM 164 N PRO A 15 -3.699 -6.940 -9.892 1.00 0.00 N ATOM 165 CA PRO A 15 -3.232 -5.768 -10.638 1.00 0.00 C ATOM 166 C PRO A 15 -2.679 -4.681 -9.723 1.00 0.00 C ATOM 167 O PRO A 15 -1.824 -3.892 -10.126 1.00 0.00 O ATOM 168 CB PRO A 15 -4.494 -5.276 -11.351 1.00 0.00 C ATOM 169 CG PRO A 15 -5.621 -5.764 -10.507 1.00 0.00 C ATOM 170 CD PRO A 15 -5.165 -7.074 -9.926 1.00 0.00 C ATOM 0 HA PRO A 15 -2.413 -6.014 -11.313 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.503 -4.189 -11.434 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.557 -5.674 -12.364 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.857 -5.049 -9.719 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.526 -5.894 -11.101 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.577 -7.237 -8.930 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.477 -7.917 -10.542 1.00 0.00 H new ATOM 178 N HIS A 16 -3.171 -4.646 -8.489 1.00 0.00 N ATOM 179 CA HIS A 16 -2.725 -3.656 -7.515 1.00 0.00 C ATOM 180 C HIS A 16 -1.237 -3.818 -7.219 1.00 0.00 C ATOM 181 O HIS A 16 -0.549 -2.849 -6.900 1.00 0.00 O ATOM 182 CB HIS A 16 -3.531 -3.781 -6.222 1.00 0.00 C ATOM 183 CG HIS A 16 -3.708 -5.195 -5.761 1.00 0.00 C ATOM 184 ND1 HIS A 16 -2.706 -5.919 -5.152 1.00 0.00 N ATOM 185 CD2 HIS A 16 -4.781 -6.018 -5.822 1.00 0.00 C ATOM 186 CE1 HIS A 16 -3.154 -7.127 -4.859 1.00 0.00 C ATOM 187 NE2 HIS A 16 -4.411 -7.212 -5.256 1.00 0.00 N ATOM 0 H HIS A 16 -3.879 -5.292 -8.140 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.888 -2.666 -7.940 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.034 -3.211 -5.437 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.512 -3.330 -6.370 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.748 -5.779 -6.239 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.589 -7.911 -4.377 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.009 -8.032 -5.158 1.00 0.00 H new ATOM 196 N GLU A 17 -0.748 -5.050 -7.326 1.00 0.00 N ATOM 197 CA GLU A 17 0.658 -5.338 -7.067 1.00 0.00 C ATOM 198 C GLU A 17 1.557 -4.562 -8.025 1.00 0.00 C ATOM 199 O GLU A 17 2.658 -4.148 -7.662 1.00 0.00 O ATOM 200 CB GLU A 17 0.927 -6.838 -7.200 1.00 0.00 C ATOM 201 CG GLU A 17 0.497 -7.643 -5.985 1.00 0.00 C ATOM 202 CD GLU A 17 1.090 -9.039 -5.971 1.00 0.00 C ATOM 203 OE1 GLU A 17 2.331 -9.157 -5.897 1.00 0.00 O ATOM 204 OE2 GLU A 17 0.311 -10.014 -6.034 1.00 0.00 O ATOM 0 H GLU A 17 -1.304 -5.863 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 17 0.885 -5.025 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.405 -7.216 -8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.992 -6.994 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.797 -7.116 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.591 -7.714 -5.967 1.00 0.00 H new ATOM 211 N SER A 18 1.080 -4.370 -9.251 1.00 0.00 N ATOM 212 CA SER A 18 1.842 -3.648 -10.263 1.00 0.00 C ATOM 213 C SER A 18 1.423 -2.182 -10.316 1.00 0.00 C ATOM 214 O SER A 18 1.387 -1.572 -11.385 1.00 0.00 O ATOM 215 CB SER A 18 1.648 -4.296 -11.636 1.00 0.00 C ATOM 216 OG SER A 18 0.287 -4.262 -12.028 1.00 0.00 O ATOM 0 H SER A 18 0.170 -4.704 -9.567 1.00 0.00 H new ATOM 0 HA SER A 18 2.897 -3.696 -9.992 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.256 -3.776 -12.376 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.996 -5.329 -11.607 1.00 0.00 H new ATOM 0 HG SER A 18 -0.267 -4.003 -11.263 1.00 0.00 H new ATOM 222 N LYS A 19 1.106 -1.622 -9.154 1.00 0.00 N ATOM 223 CA LYS A 19 0.690 -0.227 -9.065 1.00 0.00 C ATOM 224 C LYS A 19 1.804 0.637 -8.482 1.00 0.00 C ATOM 225 O LYS A 19 2.676 0.160 -7.755 1.00 0.00 O ATOM 226 CB LYS A 19 -0.569 -0.103 -8.203 1.00 0.00 C ATOM 227 CG LYS A 19 -1.815 -0.669 -8.863 1.00 0.00 C ATOM 228 CD LYS A 19 -2.242 0.166 -10.058 1.00 0.00 C ATOM 229 CE LYS A 19 -3.638 -0.210 -10.531 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.689 0.595 -9.850 1.00 0.00 N ATOM 0 H LYS A 19 1.129 -2.113 -8.260 1.00 0.00 H new ATOM 0 HA LYS A 19 0.470 0.125 -10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.404 -0.618 -7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.737 0.948 -7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.625 -1.693 -9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.627 -0.708 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.219 1.223 -9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.531 0.027 -10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.709 -0.062 -11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.812 -1.269 -10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.497 0.725 -10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.004 0.099 -8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.301 1.524 -9.590 1.00 0.00 H new ATOM 244 N PRO A 20 1.776 1.938 -8.806 1.00 0.00 N ATOM 245 CA PRO A 20 2.775 2.896 -8.324 1.00 0.00 C ATOM 246 C PRO A 20 2.646 3.165 -6.829 1.00 0.00 C ATOM 247 O PRO A 20 3.645 3.227 -6.111 1.00 0.00 O ATOM 248 CB PRO A 20 2.467 4.164 -9.124 1.00 0.00 C ATOM 249 CG PRO A 20 1.025 4.044 -9.482 1.00 0.00 C ATOM 250 CD PRO A 20 0.766 2.575 -9.668 1.00 0.00 C ATOM 0 HA PRO A 20 3.792 2.527 -8.460 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.655 5.061 -8.533 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.092 4.232 -10.015 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.392 4.455 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.802 4.598 -10.394 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.246 2.304 -9.368 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.881 2.276 -10.710 1.00 0.00 H new ATOM 258 N TRP A 21 1.412 3.323 -6.365 1.00 0.00 N ATOM 259 CA TRP A 21 1.153 3.585 -4.954 1.00 0.00 C ATOM 260 C TRP A 21 1.161 2.290 -4.150 1.00 0.00 C ATOM 261 O TRP A 21 0.682 2.249 -3.016 1.00 0.00 O ATOM 262 CB TRP A 21 -0.190 4.297 -4.784 1.00 0.00 C ATOM 263 CG TRP A 21 -1.273 3.740 -5.659 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.735 4.271 -6.830 1.00 0.00 C ATOM 265 CD2 TRP A 21 -2.029 2.546 -5.432 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.733 3.479 -7.343 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.932 2.414 -6.505 1.00 0.00 C ATOM 268 CE3 TRP A 21 -2.030 1.575 -4.427 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.825 1.350 -6.599 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.918 0.520 -4.521 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.805 0.414 -5.601 1.00 0.00 C ATOM 0 H TRP A 21 0.575 3.274 -6.945 1.00 0.00 H new ATOM 0 HA TRP A 21 1.948 4.229 -4.578 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.502 4.225 -3.742 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.062 5.356 -5.006 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.369 5.180 -7.285 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.243 3.655 -8.208 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.349 1.648 -3.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.509 1.266 -7.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.929 -0.235 -3.749 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.486 -0.423 -5.646 1.00 0.00 H new ATOM 282 N TYR A 22 1.706 1.234 -4.742 1.00 0.00 N ATOM 283 CA TYR A 22 1.774 -0.064 -4.081 1.00 0.00 C ATOM 284 C TYR A 22 3.147 -0.284 -3.453 1.00 0.00 C ATOM 285 O TYR A 22 4.176 0.013 -4.061 1.00 0.00 O ATOM 286 CB TYR A 22 1.471 -1.184 -5.077 1.00 0.00 C ATOM 287 CG TYR A 22 1.530 -2.567 -4.469 1.00 0.00 C ATOM 288 CD1 TYR A 22 0.490 -3.047 -3.683 1.00 0.00 C ATOM 289 CD2 TYR A 22 2.627 -3.394 -4.681 1.00 0.00 C ATOM 290 CE1 TYR A 22 0.540 -4.310 -3.125 1.00 0.00 C ATOM 291 CE2 TYR A 22 2.685 -4.659 -4.128 1.00 0.00 C ATOM 292 CZ TYR A 22 1.639 -5.112 -3.351 1.00 0.00 C ATOM 293 OH TYR A 22 1.694 -6.371 -2.797 1.00 0.00 O ATOM 0 H TYR A 22 2.108 1.251 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 22 1.025 -0.079 -3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.479 -1.024 -5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.182 -1.128 -5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.373 -2.422 -3.505 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.448 -3.042 -5.288 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.277 -4.667 -2.515 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.544 -5.289 -4.303 1.00 0.00 H new ATOM 0 HH TYR A 22 2.534 -6.805 -3.054 1.00 0.00 H new ATOM 303 N TYR A 23 3.155 -0.808 -2.232 1.00 0.00 N ATOM 304 CA TYR A 23 4.400 -1.067 -1.520 1.00 0.00 C ATOM 305 C TYR A 23 4.420 -2.485 -0.956 1.00 0.00 C ATOM 306 O TYR A 23 3.429 -2.958 -0.401 1.00 0.00 O ATOM 307 CB TYR A 23 4.586 -0.054 -0.389 1.00 0.00 C ATOM 308 CG TYR A 23 4.873 1.349 -0.875 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.126 1.692 -1.368 1.00 0.00 C ATOM 310 CD2 TYR A 23 3.892 2.332 -0.839 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.393 2.973 -1.812 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.149 3.615 -1.282 1.00 0.00 C ATOM 313 CZ TYR A 23 5.401 3.930 -1.768 1.00 0.00 C ATOM 314 OH TYR A 23 5.662 5.207 -2.209 1.00 0.00 O ATOM 0 H TYR A 23 2.313 -1.062 -1.715 1.00 0.00 H new ATOM 0 HA TYR A 23 5.222 -0.965 -2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.686 -0.040 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.405 -0.383 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.905 0.945 -1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.911 2.089 -0.458 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.373 3.223 -2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.374 4.367 -1.248 1.00 0.00 H new ATOM 0 HH TYR A 23 6.008 5.745 -1.467 1.00 0.00 H new ATOM 324 N ASP A 24 5.557 -3.156 -1.102 1.00 0.00 N ATOM 325 CA ASP A 24 5.709 -4.519 -0.606 1.00 0.00 C ATOM 326 C ASP A 24 6.753 -4.581 0.504 1.00 0.00 C ATOM 327 O ASP A 24 6.575 -5.283 1.499 1.00 0.00 O ATOM 328 CB ASP A 24 6.103 -5.459 -1.747 1.00 0.00 C ATOM 329 CG ASP A 24 7.606 -5.567 -1.914 1.00 0.00 C ATOM 330 OD1 ASP A 24 8.227 -6.369 -1.186 1.00 0.00 O ATOM 331 OD2 ASP A 24 8.162 -4.849 -2.772 1.00 0.00 O ATOM 0 H ASP A 24 6.387 -2.779 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 24 4.751 -4.839 -0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.689 -6.449 -1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.662 -5.102 -2.677 1.00 0.00 H new ATOM 336 N ARG A 25 7.843 -3.841 0.326 1.00 0.00 N ATOM 337 CA ARG A 25 8.917 -3.813 1.312 1.00 0.00 C ATOM 338 C ARG A 25 8.692 -2.699 2.329 1.00 0.00 C ATOM 339 O ARG A 25 9.091 -2.812 3.489 1.00 0.00 O ATOM 340 CB ARG A 25 10.268 -3.622 0.620 1.00 0.00 C ATOM 341 CG ARG A 25 10.651 -4.771 -0.297 1.00 0.00 C ATOM 342 CD ARG A 25 12.022 -4.556 -0.918 1.00 0.00 C ATOM 343 NE ARG A 25 11.948 -3.781 -2.153 1.00 0.00 N ATOM 344 CZ ARG A 25 12.962 -3.073 -2.639 1.00 0.00 C ATOM 345 NH1 ARG A 25 14.122 -3.043 -1.997 1.00 0.00 N ATOM 346 NH2 ARG A 25 12.817 -2.393 -3.769 1.00 0.00 N ATOM 0 H ARG A 25 8.005 -3.253 -0.492 1.00 0.00 H new ATOM 0 HA ARG A 25 8.918 -4.767 1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.242 -2.699 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.041 -3.501 1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.648 -5.704 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.905 -4.873 -1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.666 -4.041 -0.205 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.482 -5.522 -1.124 1.00 0.00 H new ATOM 0 HE ARG A 25 11.070 -3.783 -2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.238 -3.564 -1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.899 -2.499 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.926 -2.413 -4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.596 -1.850 -4.141 1.00 0.00 H new ATOM 360 N LEU A 26 8.050 -1.622 1.888 1.00 0.00 N ATOM 361 CA LEU A 26 7.772 -0.486 2.760 1.00 0.00 C ATOM 362 C LEU A 26 7.385 -0.955 4.159 1.00 0.00 C ATOM 363 O LEU A 26 6.680 -1.952 4.317 1.00 0.00 O ATOM 364 CB LEU A 26 6.653 0.373 2.169 1.00 0.00 C ATOM 365 CG LEU A 26 6.381 1.701 2.877 1.00 0.00 C ATOM 366 CD1 LEU A 26 7.559 2.648 2.705 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.103 2.335 2.350 1.00 0.00 C ATOM 0 H LEU A 26 7.712 -1.512 0.932 1.00 0.00 H new ATOM 0 HA LEU A 26 8.679 0.113 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.895 0.583 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.733 -0.212 2.171 1.00 0.00 H new ATOM 0 HG LEU A 26 6.252 1.504 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.348 3.588 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.454 2.196 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.720 2.839 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.926 3.279 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.202 2.519 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.264 1.662 2.526 1.00 0.00 H new ATOM 379 N SER A 27 7.848 -0.228 5.170 1.00 0.00 N ATOM 380 CA SER A 27 7.552 -0.571 6.557 1.00 0.00 C ATOM 381 C SER A 27 7.152 0.670 7.349 1.00 0.00 C ATOM 382 O SER A 27 7.602 1.778 7.057 1.00 0.00 O ATOM 383 CB SER A 27 8.764 -1.238 7.210 1.00 0.00 C ATOM 384 OG SER A 27 9.130 -2.420 6.518 1.00 0.00 O ATOM 0 H SER A 27 8.429 0.602 5.056 1.00 0.00 H new ATOM 0 HA SER A 27 6.716 -1.270 6.562 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.604 -0.544 7.220 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.536 -1.477 8.249 1.00 0.00 H new ATOM 0 HG SER A 27 9.908 -2.827 6.954 1.00 0.00 H new ATOM 390 N ARG A 28 6.303 0.475 8.353 1.00 0.00 N ATOM 391 CA ARG A 28 5.841 1.577 9.188 1.00 0.00 C ATOM 392 C ARG A 28 6.960 2.586 9.425 1.00 0.00 C ATOM 393 O ARG A 28 6.760 3.793 9.296 1.00 0.00 O ATOM 394 CB ARG A 28 5.323 1.048 10.527 1.00 0.00 C ATOM 395 CG ARG A 28 6.368 0.286 11.325 1.00 0.00 C ATOM 396 CD ARG A 28 5.757 -0.379 12.549 1.00 0.00 C ATOM 397 NE ARG A 28 6.688 -1.303 13.192 1.00 0.00 N ATOM 398 CZ ARG A 28 6.607 -1.658 14.469 1.00 0.00 C ATOM 399 NH1 ARG A 28 5.643 -1.169 15.237 1.00 0.00 N ATOM 400 NH2 ARG A 28 7.492 -2.504 14.981 1.00 0.00 N ATOM 0 H ARG A 28 5.921 -0.436 8.608 1.00 0.00 H new ATOM 0 HA ARG A 28 5.028 2.080 8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.962 1.885 11.124 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.470 0.395 10.345 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.831 -0.470 10.691 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.159 0.968 11.637 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.454 0.386 13.264 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.855 -0.918 12.257 1.00 0.00 H new ATOM 0 HE ARG A 28 7.442 -1.697 12.629 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.961 -0.518 14.847 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.583 -1.444 16.218 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.235 -2.882 14.394 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.429 -2.776 15.962 1.00 0.00 H new ATOM 414 N GLY A 29 8.140 2.082 9.775 1.00 0.00 N ATOM 415 CA GLY A 29 9.274 2.952 10.026 1.00 0.00 C ATOM 416 C GLY A 29 9.349 4.104 9.043 1.00 0.00 C ATOM 417 O GLY A 29 9.455 5.263 9.442 1.00 0.00 O ATOM 0 H GLY A 29 8.330 1.086 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.208 3.347 11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.194 2.370 9.970 1.00 0.00 H new ATOM 421 N GLU A 30 9.296 3.784 7.753 1.00 0.00 N ATOM 422 CA GLU A 30 9.362 4.801 6.711 1.00 0.00 C ATOM 423 C GLU A 30 7.965 5.284 6.333 1.00 0.00 C ATOM 424 O GLU A 30 7.708 6.486 6.267 1.00 0.00 O ATOM 425 CB GLU A 30 10.075 4.251 5.474 1.00 0.00 C ATOM 426 CG GLU A 30 11.499 3.793 5.746 1.00 0.00 C ATOM 427 CD GLU A 30 12.361 3.797 4.499 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.086 4.609 3.591 1.00 0.00 O ATOM 429 OE2 GLU A 30 13.310 2.988 4.430 1.00 0.00 O ATOM 0 H GLU A 30 9.208 2.829 7.406 1.00 0.00 H new ATOM 0 HA GLU A 30 9.928 5.647 7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.502 3.413 5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.091 5.020 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.949 4.443 6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.479 2.788 6.166 1.00 0.00 H new ATOM 436 N ALA A 31 7.065 4.338 6.084 1.00 0.00 N ATOM 437 CA ALA A 31 5.694 4.665 5.714 1.00 0.00 C ATOM 438 C ALA A 31 5.226 5.937 6.413 1.00 0.00 C ATOM 439 O ALA A 31 4.883 6.923 5.761 1.00 0.00 O ATOM 440 CB ALA A 31 4.766 3.506 6.046 1.00 0.00 C ATOM 0 H ALA A 31 7.261 3.338 6.132 1.00 0.00 H new ATOM 0 HA ALA A 31 5.666 4.841 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.745 3.765 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.081 2.619 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.806 3.303 7.116 1.00 0.00 H new ATOM 446 N GLU A 32 5.214 5.907 7.742 1.00 0.00 N ATOM 447 CA GLU A 32 4.785 7.058 8.527 1.00 0.00 C ATOM 448 C GLU A 32 5.552 8.313 8.117 1.00 0.00 C ATOM 449 O GLU A 32 4.955 9.347 7.817 1.00 0.00 O ATOM 450 CB GLU A 32 4.988 6.789 10.020 1.00 0.00 C ATOM 451 CG GLU A 32 4.066 5.717 10.576 1.00 0.00 C ATOM 452 CD GLU A 32 4.564 5.142 11.888 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.791 4.947 12.022 1.00 0.00 O ATOM 454 OE2 GLU A 32 3.729 4.887 12.780 1.00 0.00 O ATOM 0 H GLU A 32 5.496 5.099 8.297 1.00 0.00 H new ATOM 0 HA GLU A 32 3.725 7.222 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.022 6.490 10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.829 7.715 10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.072 6.139 10.723 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.967 4.914 9.846 1.00 0.00 H new ATOM 461 N ASP A 33 6.876 8.212 8.106 1.00 0.00 N ATOM 462 CA ASP A 33 7.725 9.338 7.733 1.00 0.00 C ATOM 463 C ASP A 33 7.290 9.926 6.394 1.00 0.00 C ATOM 464 O ASP A 33 7.022 11.122 6.288 1.00 0.00 O ATOM 465 CB ASP A 33 9.188 8.898 7.659 1.00 0.00 C ATOM 466 CG ASP A 33 10.150 10.045 7.897 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.889 11.155 7.386 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.164 9.834 8.594 1.00 0.00 O ATOM 0 H ASP A 33 7.385 7.363 8.351 1.00 0.00 H new ATOM 0 HA ASP A 33 7.623 10.108 8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.368 8.118 8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.384 8.461 6.680 1.00 0.00 H new ATOM 473 N MET A 34 7.222 9.076 5.374 1.00 0.00 N ATOM 474 CA MET A 34 6.819 9.512 4.042 1.00 0.00 C ATOM 475 C MET A 34 5.708 10.554 4.124 1.00 0.00 C ATOM 476 O MET A 34 5.896 11.708 3.737 1.00 0.00 O ATOM 477 CB MET A 34 6.351 8.316 3.211 1.00 0.00 C ATOM 478 CG MET A 34 7.467 7.654 2.418 1.00 0.00 C ATOM 479 SD MET A 34 6.886 6.937 0.869 1.00 0.00 S ATOM 480 CE MET A 34 5.937 5.544 1.475 1.00 0.00 C ATOM 0 H MET A 34 7.441 8.082 5.445 1.00 0.00 H new ATOM 0 HA MET A 34 7.684 9.966 3.558 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.900 7.578 3.874 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.572 8.644 2.523 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.242 8.390 2.205 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.926 6.874 3.025 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.445 4.616 1.213 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.842 5.612 2.559 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.945 5.555 1.023 1.00 0.00 H new ATOM 490 N LEU A 35 4.551 10.141 4.631 1.00 0.00 N ATOM 491 CA LEU A 35 3.410 11.039 4.763 1.00 0.00 C ATOM 492 C LEU A 35 3.826 12.358 5.407 1.00 0.00 C ATOM 493 O LEU A 35 3.494 13.434 4.912 1.00 0.00 O ATOM 494 CB LEU A 35 2.309 10.378 5.594 1.00 0.00 C ATOM 495 CG LEU A 35 1.319 9.504 4.823 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.480 10.353 3.880 1.00 0.00 C ATOM 497 CD2 LEU A 35 2.054 8.417 4.053 1.00 0.00 C ATOM 0 H LEU A 35 4.379 9.190 4.957 1.00 0.00 H new ATOM 0 HA LEU A 35 3.027 11.248 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.780 9.766 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.749 11.160 6.107 1.00 0.00 H new ATOM 0 HG LEU A 35 0.652 9.025 5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.219 9.714 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.076 11.094 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.132 10.860 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.334 7.805 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.745 8.876 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.610 7.790 4.750 1.00 0.00 H new ATOM 509 N MET A 36 4.558 12.265 6.513 1.00 0.00 N ATOM 510 CA MET A 36 5.023 13.451 7.223 1.00 0.00 C ATOM 511 C MET A 36 5.761 14.395 6.279 1.00 0.00 C ATOM 512 O MET A 36 5.660 15.616 6.403 1.00 0.00 O ATOM 513 CB MET A 36 5.938 13.052 8.382 1.00 0.00 C ATOM 514 CG MET A 36 5.272 12.133 9.393 1.00 0.00 C ATOM 515 SD MET A 36 5.981 12.286 11.044 1.00 0.00 S ATOM 516 CE MET A 36 4.616 11.714 12.053 1.00 0.00 C ATOM 0 H MET A 36 4.842 11.381 6.936 1.00 0.00 H new ATOM 0 HA MET A 36 4.151 13.971 7.620 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.823 12.558 7.982 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.279 13.953 8.892 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.207 12.359 9.437 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.365 11.101 9.056 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.901 11.750 13.105 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.749 12.355 11.890 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.366 10.689 11.780 1.00 0.00 H new ATOM 526 N ARG A 37 6.502 13.822 5.336 1.00 0.00 N ATOM 527 CA ARG A 37 7.258 14.613 4.372 1.00 0.00 C ATOM 528 C ARG A 37 6.326 15.264 3.354 1.00 0.00 C ATOM 529 O ARG A 37 6.434 16.459 3.075 1.00 0.00 O ATOM 530 CB ARG A 37 8.284 13.736 3.653 1.00 0.00 C ATOM 531 CG ARG A 37 9.338 13.149 4.578 1.00 0.00 C ATOM 532 CD ARG A 37 10.268 12.204 3.833 1.00 0.00 C ATOM 533 NE ARG A 37 11.283 12.925 3.068 1.00 0.00 N ATOM 534 CZ ARG A 37 12.450 12.397 2.717 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.749 11.152 3.059 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.321 13.116 2.020 1.00 0.00 N ATOM 0 H ARG A 37 6.595 12.813 5.219 1.00 0.00 H new ATOM 0 HA ARG A 37 7.781 15.400 4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.763 12.923 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.778 14.327 2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.919 13.954 5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.851 12.614 5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.756 11.539 4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.684 11.577 3.159 1.00 0.00 H new ATOM 0 HE ARG A 37 11.085 13.886 2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.082 10.596 3.594 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.646 10.750 2.788 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.094 14.074 1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.217 12.710 1.750 1.00 0.00 H new ATOM 550 N ILE A 38 5.414 14.471 2.802 1.00 0.00 N ATOM 551 CA ILE A 38 4.465 14.971 1.816 1.00 0.00 C ATOM 552 C ILE A 38 3.736 16.207 2.331 1.00 0.00 C ATOM 553 O ILE A 38 2.875 16.130 3.208 1.00 0.00 O ATOM 554 CB ILE A 38 3.427 13.896 1.439 1.00 0.00 C ATOM 555 CG1 ILE A 38 4.123 12.569 1.134 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.600 14.354 0.247 1.00 0.00 C ATOM 557 CD1 ILE A 38 5.228 12.688 0.108 1.00 0.00 C ATOM 0 H ILE A 38 5.312 13.480 3.021 1.00 0.00 H new ATOM 0 HA ILE A 38 5.041 15.236 0.929 1.00 0.00 H new ATOM 0 HB ILE A 38 2.756 13.746 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.538 12.165 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.382 11.853 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.871 13.584 -0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.079 15.278 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.256 14.528 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.677 11.709 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.816 13.062 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.989 13.379 0.471 1.00 0.00 H new ATOM 569 N PRO A 39 4.085 17.375 1.773 1.00 0.00 N ATOM 570 CA PRO A 39 3.475 18.651 2.158 1.00 0.00 C ATOM 571 C PRO A 39 2.022 18.758 1.707 1.00 0.00 C ATOM 572 O PRO A 39 1.388 19.801 1.867 1.00 0.00 O ATOM 573 CB PRO A 39 4.337 19.689 1.436 1.00 0.00 C ATOM 574 CG PRO A 39 4.908 18.962 0.269 1.00 0.00 C ATOM 575 CD PRO A 39 5.103 17.541 0.721 1.00 0.00 C ATOM 0 HA PRO A 39 3.447 18.779 3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.742 20.545 1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.123 20.072 2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.236 19.010 -0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.854 19.406 -0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.955 16.835 -0.096 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.109 17.376 1.106 1.00 0.00 H new ATOM 583 N ARG A 40 1.500 17.673 1.145 1.00 0.00 N ATOM 584 CA ARG A 40 0.122 17.646 0.670 1.00 0.00 C ATOM 585 C ARG A 40 -0.779 16.913 1.659 1.00 0.00 C ATOM 586 O ARG A 40 -0.655 15.703 1.848 1.00 0.00 O ATOM 587 CB ARG A 40 0.046 16.973 -0.702 1.00 0.00 C ATOM 588 CG ARG A 40 0.907 17.645 -1.759 1.00 0.00 C ATOM 589 CD ARG A 40 0.195 18.835 -2.383 1.00 0.00 C ATOM 590 NE ARG A 40 1.113 19.696 -3.123 1.00 0.00 N ATOM 591 CZ ARG A 40 0.862 20.970 -3.404 1.00 0.00 C ATOM 592 NH1 ARG A 40 -0.274 21.527 -3.008 1.00 0.00 N ATOM 593 NH2 ARG A 40 1.748 21.688 -4.082 1.00 0.00 N ATOM 0 H ARG A 40 2.011 16.801 1.007 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.226 18.675 0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.353 15.932 -0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.991 16.969 -1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.844 17.974 -1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.161 16.924 -2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.587 18.479 -3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.295 19.415 -1.601 1.00 0.00 H new ATOM 0 HE ARG A 40 1.996 19.297 -3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.957 20.977 -2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.465 22.505 -3.225 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.623 21.262 -4.388 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.554 22.666 -4.297 1.00 0.00 H new ATOM 607 N ASP A 41 -1.685 17.654 2.288 1.00 0.00 N ATOM 608 CA ASP A 41 -2.607 17.075 3.258 1.00 0.00 C ATOM 609 C ASP A 41 -3.670 16.231 2.560 1.00 0.00 C ATOM 610 O ASP A 41 -4.614 16.762 1.978 1.00 0.00 O ATOM 611 CB ASP A 41 -3.273 18.177 4.082 1.00 0.00 C ATOM 612 CG ASP A 41 -4.037 19.163 3.220 1.00 0.00 C ATOM 613 OD1 ASP A 41 -5.238 18.929 2.972 1.00 0.00 O ATOM 614 OD2 ASP A 41 -3.433 20.170 2.792 1.00 0.00 O ATOM 0 H ASP A 41 -1.800 18.657 2.143 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.036 16.429 3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.954 17.726 4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.512 18.710 4.652 1.00 0.00 H new ATOM 619 N GLY A 42 -3.507 14.913 2.622 1.00 0.00 N ATOM 620 CA GLY A 42 -4.459 14.018 1.992 1.00 0.00 C ATOM 621 C GLY A 42 -3.783 12.911 1.207 1.00 0.00 C ATOM 622 O GLY A 42 -4.325 12.421 0.218 1.00 0.00 O ATOM 0 H GLY A 42 -2.733 14.449 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.100 13.578 2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.104 14.590 1.325 1.00 0.00 H new ATOM 626 N ALA A 43 -2.593 12.517 1.649 1.00 0.00 N ATOM 627 CA ALA A 43 -1.841 11.461 0.982 1.00 0.00 C ATOM 628 C ALA A 43 -2.128 10.102 1.611 1.00 0.00 C ATOM 629 O ALA A 43 -2.325 9.996 2.822 1.00 0.00 O ATOM 630 CB ALA A 43 -0.351 11.763 1.030 1.00 0.00 C ATOM 0 H ALA A 43 -2.129 12.913 2.466 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.159 11.425 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.198 10.966 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.155 12.710 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.026 11.829 2.068 1.00 0.00 H new ATOM 636 N PHE A 44 -2.152 9.064 0.781 1.00 0.00 N ATOM 637 CA PHE A 44 -2.417 7.711 1.256 1.00 0.00 C ATOM 638 C PHE A 44 -1.491 6.706 0.577 1.00 0.00 C ATOM 639 O PHE A 44 -0.956 6.967 -0.501 1.00 0.00 O ATOM 640 CB PHE A 44 -3.876 7.334 0.997 1.00 0.00 C ATOM 641 CG PHE A 44 -4.136 6.876 -0.410 1.00 0.00 C ATOM 642 CD1 PHE A 44 -4.432 7.791 -1.407 1.00 0.00 C ATOM 643 CD2 PHE A 44 -4.084 5.530 -0.736 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.673 7.373 -2.702 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.323 5.105 -2.029 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.617 6.028 -3.014 1.00 0.00 C ATOM 0 H PHE A 44 -1.991 9.134 -0.224 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.228 7.685 2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.167 6.543 1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.509 8.194 1.213 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.475 8.844 -1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.854 4.804 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.905 8.097 -3.469 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.280 4.053 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.803 5.699 -4.026 1.00 0.00 H new ATOM 656 N LEU A 45 -1.307 5.556 1.216 1.00 0.00 N ATOM 657 CA LEU A 45 -0.446 4.510 0.675 1.00 0.00 C ATOM 658 C LEU A 45 -0.870 3.137 1.187 1.00 0.00 C ATOM 659 O LEU A 45 -1.374 3.008 2.303 1.00 0.00 O ATOM 660 CB LEU A 45 1.013 4.778 1.051 1.00 0.00 C ATOM 661 CG LEU A 45 1.436 4.339 2.453 1.00 0.00 C ATOM 662 CD1 LEU A 45 1.889 2.887 2.444 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.542 5.240 2.983 1.00 0.00 C ATOM 0 H LEU A 45 -1.742 5.324 2.109 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.543 4.519 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.653 4.275 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.202 5.847 0.954 1.00 0.00 H new ATOM 0 HG LEU A 45 0.574 4.426 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.186 2.592 3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.069 2.252 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.736 2.774 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.831 4.913 3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.405 5.185 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.184 6.268 3.028 1.00 0.00 H new ATOM 675 N ILE A 46 -0.661 2.114 0.364 1.00 0.00 N ATOM 676 CA ILE A 46 -1.019 0.751 0.734 1.00 0.00 C ATOM 677 C ILE A 46 0.198 -0.167 0.696 1.00 0.00 C ATOM 678 O ILE A 46 0.673 -0.541 -0.377 1.00 0.00 O ATOM 679 CB ILE A 46 -2.107 0.182 -0.196 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.376 1.032 -0.113 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.408 -1.266 0.164 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.397 0.700 -1.178 1.00 0.00 C ATOM 0 H ILE A 46 -0.246 2.204 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.408 0.792 1.751 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.739 0.212 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.830 0.897 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.105 2.084 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.179 -1.654 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.502 -1.863 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.759 -1.319 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.270 1.341 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.961 0.862 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.697 -0.343 -1.081 1.00 0.00 H new ATOM 694 N ARG A 47 0.697 -0.528 1.873 1.00 0.00 N ATOM 695 CA ARG A 47 1.859 -1.403 1.975 1.00 0.00 C ATOM 696 C ARG A 47 1.493 -2.714 2.664 1.00 0.00 C ATOM 697 O ARG A 47 0.813 -2.720 3.691 1.00 0.00 O ATOM 698 CB ARG A 47 2.983 -0.706 2.743 1.00 0.00 C ATOM 699 CG ARG A 47 2.589 -0.283 4.149 1.00 0.00 C ATOM 700 CD ARG A 47 3.806 0.102 4.976 1.00 0.00 C ATOM 701 NE ARG A 47 4.386 -1.049 5.664 1.00 0.00 N ATOM 702 CZ ARG A 47 3.832 -1.628 6.723 1.00 0.00 C ATOM 703 NH1 ARG A 47 2.689 -1.168 7.213 1.00 0.00 N ATOM 704 NH2 ARG A 47 4.421 -2.672 7.293 1.00 0.00 N ATOM 0 H ARG A 47 0.315 -0.228 2.770 1.00 0.00 H new ATOM 0 HA ARG A 47 2.204 -1.627 0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.841 -1.375 2.801 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.302 0.174 2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.901 0.561 4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.057 -1.098 4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.557 0.553 4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.522 0.857 5.709 1.00 0.00 H new ATOM 0 HE ARG A 47 5.265 -1.429 5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.233 -0.367 6.776 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.266 -1.615 8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.299 -3.030 6.918 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.995 -3.116 8.106 1.00 0.00 H new ATOM 718 N LYS A 48 1.949 -3.824 2.094 1.00 0.00 N ATOM 719 CA LYS A 48 1.672 -5.142 2.652 1.00 0.00 C ATOM 720 C LYS A 48 2.598 -5.441 3.827 1.00 0.00 C ATOM 721 O LYS A 48 3.736 -4.973 3.867 1.00 0.00 O ATOM 722 CB LYS A 48 1.832 -6.219 1.577 1.00 0.00 C ATOM 723 CG LYS A 48 1.546 -7.625 2.076 1.00 0.00 C ATOM 724 CD LYS A 48 2.802 -8.293 2.609 1.00 0.00 C ATOM 725 CE LYS A 48 3.734 -8.708 1.481 1.00 0.00 C ATOM 726 NZ LYS A 48 5.139 -8.862 1.950 1.00 0.00 N ATOM 0 H LYS A 48 2.513 -3.837 1.244 1.00 0.00 H new ATOM 0 HA LYS A 48 0.643 -5.147 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.162 -5.994 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.849 -6.181 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.792 -7.587 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.131 -8.223 1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.323 -7.609 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.528 -9.169 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.389 -9.649 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.696 -7.963 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.742 -9.145 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.477 -7.957 2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.180 -9.591 2.691 1.00 0.00 H new ATOM 740 N ARG A 49 2.103 -6.223 4.781 1.00 0.00 N ATOM 741 CA ARG A 49 2.886 -6.584 5.956 1.00 0.00 C ATOM 742 C ARG A 49 3.433 -8.003 5.830 1.00 0.00 C ATOM 743 O ARG A 49 2.696 -8.936 5.516 1.00 0.00 O ATOM 744 CB ARG A 49 2.033 -6.465 7.220 1.00 0.00 C ATOM 745 CG ARG A 49 1.793 -5.030 7.661 1.00 0.00 C ATOM 746 CD ARG A 49 0.484 -4.893 8.423 1.00 0.00 C ATOM 747 NE ARG A 49 0.469 -3.707 9.276 1.00 0.00 N ATOM 748 CZ ARG A 49 -0.584 -3.330 9.991 1.00 0.00 C ATOM 749 NH1 ARG A 49 -1.703 -4.042 9.957 1.00 0.00 N ATOM 750 NH2 ARG A 49 -0.521 -2.239 10.743 1.00 0.00 N ATOM 0 H ARG A 49 1.163 -6.619 4.763 1.00 0.00 H new ATOM 0 HA ARG A 49 3.727 -5.894 6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.072 -6.948 7.046 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.521 -7.008 8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.618 -4.699 8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.777 -4.378 6.788 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.344 -4.841 7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.326 -5.781 9.034 1.00 0.00 H new ATOM 0 HE ARG A 49 1.314 -3.138 9.325 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.756 -4.882 9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.510 -3.750 10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.337 -1.689 10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.331 -1.950 11.292 1.00 0.00 H new ATOM 812 N SER A 54 -3.004 -9.548 6.505 1.00 0.00 N ATOM 813 CA SER A 54 -3.808 -8.332 6.513 1.00 0.00 C ATOM 814 C SER A 54 -2.978 -7.128 6.079 1.00 0.00 C ATOM 815 O SER A 54 -1.785 -7.044 6.374 1.00 0.00 O ATOM 816 CB SER A 54 -4.389 -8.089 7.908 1.00 0.00 C ATOM 817 OG SER A 54 -3.359 -7.937 8.869 1.00 0.00 O ATOM 0 HA SER A 54 -4.625 -8.462 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.013 -7.196 7.895 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.032 -8.923 8.188 1.00 0.00 H new ATOM 0 HG SER A 54 -2.556 -8.410 8.565 1.00 0.00 H new ATOM 823 N TYR A 55 -3.616 -6.199 5.377 1.00 0.00 N ATOM 824 CA TYR A 55 -2.937 -5.001 4.899 1.00 0.00 C ATOM 825 C TYR A 55 -3.299 -3.791 5.755 1.00 0.00 C ATOM 826 O TYR A 55 -4.238 -3.838 6.549 1.00 0.00 O ATOM 827 CB TYR A 55 -3.300 -4.732 3.437 1.00 0.00 C ATOM 828 CG TYR A 55 -3.008 -5.896 2.517 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.936 -6.913 2.334 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.803 -5.977 1.829 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.673 -7.978 1.495 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.532 -7.038 0.987 1.00 0.00 C ATOM 833 CZ TYR A 55 -2.470 -8.036 0.824 1.00 0.00 C ATOM 834 OH TYR A 55 -2.204 -9.095 -0.014 1.00 0.00 O ATOM 0 H TYR A 55 -4.603 -6.252 5.126 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.863 -5.169 4.975 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.360 -4.487 3.374 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.749 -3.858 3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.880 -6.870 2.857 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.066 -5.197 1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.406 -8.761 1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.591 -7.086 0.459 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.314 -8.983 -0.410 1.00 0.00 H new ATOM 844 N ALA A 56 -2.547 -2.709 5.586 1.00 0.00 N ATOM 845 CA ALA A 56 -2.790 -1.485 6.341 1.00 0.00 C ATOM 846 C ALA A 56 -2.530 -0.251 5.483 1.00 0.00 C ATOM 847 O ALA A 56 -1.442 -0.085 4.931 1.00 0.00 O ATOM 848 CB ALA A 56 -1.921 -1.454 7.589 1.00 0.00 C ATOM 0 H ALA A 56 -1.765 -2.654 4.934 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.838 -1.474 6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.113 -0.535 8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.157 -2.313 8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.870 -1.492 7.302 1.00 0.00 H new ATOM 854 N ILE A 57 -3.536 0.611 5.375 1.00 0.00 N ATOM 855 CA ILE A 57 -3.416 1.829 4.585 1.00 0.00 C ATOM 856 C ILE A 57 -3.072 3.025 5.467 1.00 0.00 C ATOM 857 O ILE A 57 -3.800 3.348 6.406 1.00 0.00 O ATOM 858 CB ILE A 57 -4.714 2.131 3.814 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.504 3.307 2.858 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.849 2.426 4.784 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.595 3.444 1.820 1.00 0.00 C ATOM 0 H ILE A 57 -4.443 0.488 5.825 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.609 1.663 3.871 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.983 1.253 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.446 4.229 3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.546 3.187 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.760 2.638 4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.011 1.562 5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.590 3.290 5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.381 4.298 1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.639 2.537 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.553 3.596 2.317 1.00 0.00 H new ATOM 873 N THR A 58 -1.957 3.680 5.158 1.00 0.00 N ATOM 874 CA THR A 58 -1.516 4.840 5.922 1.00 0.00 C ATOM 875 C THR A 58 -1.839 6.137 5.188 1.00 0.00 C ATOM 876 O THR A 58 -1.826 6.185 3.958 1.00 0.00 O ATOM 877 CB THR A 58 -0.002 4.786 6.202 1.00 0.00 C ATOM 878 OG1 THR A 58 0.337 3.540 6.820 1.00 0.00 O ATOM 879 CG2 THR A 58 0.423 5.936 7.103 1.00 0.00 C ATOM 0 H THR A 58 -1.343 3.427 4.384 1.00 0.00 H new ATOM 0 HA THR A 58 -2.055 4.818 6.869 1.00 0.00 H new ATOM 0 HB THR A 58 0.524 4.876 5.252 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.245 3.621 7.792 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.496 5.877 7.287 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.190 6.884 6.618 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.111 5.872 8.051 1.00 0.00 H new ATOM 887 N PHE A 59 -2.129 7.186 5.950 1.00 0.00 N ATOM 888 CA PHE A 59 -2.456 8.484 5.371 1.00 0.00 C ATOM 889 C PHE A 59 -2.048 9.616 6.309 1.00 0.00 C ATOM 890 O PHE A 59 -1.683 9.381 7.461 1.00 0.00 O ATOM 891 CB PHE A 59 -3.954 8.570 5.071 1.00 0.00 C ATOM 892 CG PHE A 59 -4.800 7.754 6.005 1.00 0.00 C ATOM 893 CD1 PHE A 59 -4.849 6.374 5.891 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.546 8.366 6.999 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.628 5.620 6.749 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.326 7.618 7.861 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.366 6.244 7.736 1.00 0.00 C ATOM 0 H PHE A 59 -2.144 7.163 6.970 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.900 8.589 4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.268 9.612 5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.131 8.237 4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.272 5.881 5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.518 9.441 7.102 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.659 4.545 6.648 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.903 8.108 8.631 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.974 5.657 8.409 1.00 0.00 H new ATOM 907 N ARG A 60 -2.114 10.845 5.807 1.00 0.00 N ATOM 908 CA ARG A 60 -1.750 12.014 6.599 1.00 0.00 C ATOM 909 C ARG A 60 -2.987 12.832 6.960 1.00 0.00 C ATOM 910 O ARG A 60 -3.690 13.333 6.083 1.00 0.00 O ATOM 911 CB ARG A 60 -0.755 12.887 5.832 1.00 0.00 C ATOM 912 CG ARG A 60 -0.630 14.297 6.384 1.00 0.00 C ATOM 913 CD ARG A 60 0.412 15.103 5.624 1.00 0.00 C ATOM 914 NE ARG A 60 0.135 16.536 5.666 1.00 0.00 N ATOM 915 CZ ARG A 60 1.076 17.469 5.585 1.00 0.00 C ATOM 916 NH1 ARG A 60 2.349 17.122 5.456 1.00 0.00 N ATOM 917 NH2 ARG A 60 0.745 18.754 5.631 1.00 0.00 N ATOM 0 H ARG A 60 -2.416 11.057 4.856 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.283 11.666 7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.225 12.410 5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.062 12.941 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.595 14.799 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.359 14.253 7.439 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.398 14.912 6.048 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.442 14.770 4.587 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.835 16.837 5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.608 16.136 5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.070 17.841 5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.233 19.025 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.469 19.470 5.569 1.00 0.00 H new ATOM 931 N ALA A 61 -3.245 12.963 8.257 1.00 0.00 N ATOM 932 CA ALA A 61 -4.396 13.720 8.734 1.00 0.00 C ATOM 933 C ALA A 61 -3.956 15.003 9.432 1.00 0.00 C ATOM 934 O ALA A 61 -3.601 14.989 10.611 1.00 0.00 O ATOM 935 CB ALA A 61 -5.237 12.868 9.672 1.00 0.00 C ATOM 0 H ALA A 61 -2.673 12.555 8.996 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.002 13.995 7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.093 13.446 10.020 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.589 11.983 9.142 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.633 12.563 10.527 1.00 0.00 H new ATOM 941 N ARG A 62 -3.983 16.110 8.698 1.00 0.00 N ATOM 942 CA ARG A 62 -3.585 17.401 9.246 1.00 0.00 C ATOM 943 C ARG A 62 -2.213 17.311 9.907 1.00 0.00 C ATOM 944 O ARG A 62 -2.041 17.705 11.060 1.00 0.00 O ATOM 945 CB ARG A 62 -4.621 17.889 10.261 1.00 0.00 C ATOM 946 CG ARG A 62 -4.721 19.403 10.350 1.00 0.00 C ATOM 947 CD ARG A 62 -3.480 20.006 10.990 1.00 0.00 C ATOM 948 NE ARG A 62 -3.600 21.451 11.160 1.00 0.00 N ATOM 949 CZ ARG A 62 -3.318 22.330 10.204 1.00 0.00 C ATOM 950 NH1 ARG A 62 -2.904 21.911 9.016 1.00 0.00 N ATOM 951 NH2 ARG A 62 -3.452 23.629 10.435 1.00 0.00 N ATOM 0 H ARG A 62 -4.277 16.139 7.722 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.527 18.115 8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.597 17.484 9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.369 17.492 11.244 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.856 19.819 9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.601 19.677 10.931 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.309 19.540 11.960 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.610 19.785 10.372 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.918 21.805 12.062 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.802 20.912 8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.688 22.587 8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.772 23.954 11.347 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.235 24.303 9.700 1.00 0.00 H new ATOM 965 N GLY A 63 -1.238 16.790 9.168 1.00 0.00 N ATOM 966 CA GLY A 63 0.106 16.658 9.700 1.00 0.00 C ATOM 967 C GLY A 63 0.362 15.286 10.292 1.00 0.00 C ATOM 968 O GLY A 63 1.347 14.629 9.953 1.00 0.00 O ATOM 0 H GLY A 63 -1.355 16.457 8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.828 16.848 8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.267 17.417 10.466 1.00 0.00 H new ATOM 972 N LYS A 64 -0.524 14.852 11.182 1.00 0.00 N ATOM 973 CA LYS A 64 -0.390 13.550 11.824 1.00 0.00 C ATOM 974 C LYS A 64 -0.550 12.423 10.808 1.00 0.00 C ATOM 975 O LYS A 64 -0.974 12.651 9.675 1.00 0.00 O ATOM 976 CB LYS A 64 -1.428 13.398 12.938 1.00 0.00 C ATOM 977 CG LYS A 64 -0.971 13.955 14.275 1.00 0.00 C ATOM 978 CD LYS A 64 0.028 13.031 14.952 1.00 0.00 C ATOM 979 CE LYS A 64 -0.673 11.923 15.724 1.00 0.00 C ATOM 980 NZ LYS A 64 -0.978 10.752 14.857 1.00 0.00 N ATOM 0 H LYS A 64 -1.344 15.384 11.475 1.00 0.00 H new ATOM 0 HA LYS A 64 0.609 13.487 12.256 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.347 13.903 12.639 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.669 12.342 13.057 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.518 14.935 14.126 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.834 14.098 14.925 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.687 12.593 14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.657 13.607 15.631 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.044 11.605 16.556 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.598 12.308 16.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.834 9.874 15.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.967 10.804 14.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.347 10.758 14.030 1.00 0.00 H new ATOM 994 N VAL A 65 -0.210 11.207 11.222 1.00 0.00 N ATOM 995 CA VAL A 65 -0.319 10.044 10.349 1.00 0.00 C ATOM 996 C VAL A 65 -1.100 8.922 11.023 1.00 0.00 C ATOM 997 O VAL A 65 -0.682 8.391 12.053 1.00 0.00 O ATOM 998 CB VAL A 65 1.069 9.516 9.942 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.936 8.261 9.093 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.851 10.590 9.201 1.00 0.00 C ATOM 0 H VAL A 65 0.143 11.001 12.156 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.853 10.368 9.455 1.00 0.00 H new ATOM 0 HB VAL A 65 1.619 9.257 10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.927 7.903 8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.418 7.490 9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.367 8.490 8.192 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.829 10.200 8.921 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.306 10.882 8.303 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.978 11.459 9.847 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.237 8.564 10.436 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.077 7.502 10.978 1.00 0.00 C ATOM 1012 C LYS A 66 -2.881 6.204 10.202 1.00 0.00 C ATOM 1013 O LYS A 66 -2.220 6.183 9.164 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.550 7.917 10.934 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.873 9.106 11.823 1.00 0.00 C ATOM 1016 CD LYS A 66 -6.319 9.078 12.287 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.486 9.768 13.632 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.336 11.246 13.520 1.00 0.00 N ATOM 0 H LYS A 66 -2.598 8.994 9.584 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.783 7.333 12.014 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.820 8.158 9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.167 7.070 11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.212 9.104 12.689 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.682 10.031 11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.950 9.567 11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.658 8.045 12.362 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.468 9.533 14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.747 9.380 14.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.457 11.679 14.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.389 11.472 13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.057 11.620 12.871 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.461 5.122 10.712 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.352 3.819 10.066 1.00 0.00 C ATOM 1034 C HIS A 67 -4.633 3.012 10.249 1.00 0.00 C ATOM 1035 O HIS A 67 -5.197 2.965 11.343 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.161 3.044 10.632 1.00 0.00 C ATOM 1037 CG HIS A 67 -0.920 3.870 10.772 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -0.036 4.083 9.735 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.418 4.540 11.836 1.00 0.00 C ATOM 1040 CE1 HIS A 67 0.957 4.846 10.156 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.748 5.138 11.427 1.00 0.00 N ATOM 0 H HIS A 67 -4.011 5.122 11.571 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.196 3.982 9.000 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.431 2.641 11.608 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.950 2.194 9.983 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.854 4.594 12.823 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.797 5.175 9.562 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.355 5.714 12.010 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.088 2.380 9.173 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.304 1.576 9.215 1.00 0.00 C ATOM 1052 C CYS A 68 -6.017 0.134 8.808 1.00 0.00 C ATOM 1053 O CYS A 68 -5.330 -0.117 7.818 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.369 2.175 8.296 1.00 0.00 C ATOM 1055 SG CYS A 68 -8.406 3.428 9.086 1.00 0.00 S ATOM 0 H CYS A 68 -4.633 2.409 8.261 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.676 1.578 10.240 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.878 2.619 7.430 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.006 1.372 7.925 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.274 3.876 8.228 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.546 -0.810 9.581 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.344 -2.227 9.302 1.00 0.00 C ATOM 1063 C ARG A 69 -7.237 -2.688 8.154 1.00 0.00 C ATOM 1064 O ARG A 69 -8.369 -2.225 8.011 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.633 -3.060 10.553 1.00 0.00 C ATOM 1066 CG ARG A 69 -6.529 -4.559 10.323 1.00 0.00 C ATOM 1067 CD ARG A 69 -5.095 -5.045 10.462 1.00 0.00 C ATOM 1068 NE ARG A 69 -4.607 -4.926 11.833 1.00 0.00 N ATOM 1069 CZ ARG A 69 -5.064 -5.659 12.842 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -6.016 -6.558 12.635 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -4.570 -5.493 14.062 1.00 0.00 N ATOM 0 H ARG A 69 -7.117 -0.619 10.404 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.304 -2.370 9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.936 -2.772 11.340 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.635 -2.825 10.913 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.163 -5.083 11.038 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.902 -4.802 9.328 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.033 -6.086 10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.451 -4.469 9.797 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.875 -4.243 12.027 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.400 -6.688 11.699 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.365 -7.119 13.412 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.838 -4.802 14.226 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.922 -6.057 14.836 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.720 -3.601 7.339 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.470 -4.124 6.204 1.00 0.00 C ATOM 1087 C ILE A 70 -7.633 -5.637 6.304 1.00 0.00 C ATOM 1088 O ILE A 70 -6.683 -6.354 6.614 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.785 -3.779 4.869 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.613 -2.265 4.735 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.591 -4.331 3.702 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.517 -1.864 3.773 1.00 0.00 C ATOM 0 H ILE A 70 -5.785 -3.994 7.444 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.452 -3.653 6.230 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.798 -4.241 4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.555 -1.829 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.396 -1.844 5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.094 -4.079 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.667 -5.415 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.590 -3.895 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.452 -0.777 3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.565 -2.271 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.743 -2.255 2.781 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.843 -6.116 6.035 1.00 0.00 N ATOM 1105 CA ASN A 71 -9.131 -7.544 6.093 1.00 0.00 C ATOM 1106 C ASN A 71 -9.222 -8.138 4.691 1.00 0.00 C ATOM 1107 O ASN A 71 -9.053 -7.433 3.695 1.00 0.00 O ATOM 1108 CB ASN A 71 -10.437 -7.793 6.851 1.00 0.00 C ATOM 1109 CG ASN A 71 -10.236 -7.828 8.353 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -9.699 -8.794 8.896 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -10.668 -6.772 9.033 1.00 0.00 N ATOM 0 H ASN A 71 -9.640 -5.536 5.775 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.313 -8.032 6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.154 -7.011 6.601 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.870 -8.738 6.523 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.560 -6.739 10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.107 -5.994 8.541 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.492 -9.437 4.620 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.605 -10.126 3.340 1.00 0.00 C ATOM 1120 C ARG A 72 -10.606 -11.274 3.428 1.00 0.00 C ATOM 1121 O ARG A 72 -10.388 -12.248 4.148 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.240 -10.658 2.900 1.00 0.00 C ATOM 1123 CG ARG A 72 -8.283 -11.442 1.599 1.00 0.00 C ATOM 1124 CD ARG A 72 -6.919 -11.482 0.928 1.00 0.00 C ATOM 1125 NE ARG A 72 -6.939 -12.264 -0.306 1.00 0.00 N ATOM 1126 CZ ARG A 72 -5.856 -12.813 -0.845 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -4.674 -12.667 -0.262 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -5.954 -13.511 -1.969 1.00 0.00 N ATOM 0 H ARG A 72 -9.637 -10.034 5.434 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.963 -9.410 2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.552 -9.820 2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.838 -11.297 3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.623 -12.459 1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.009 -10.989 0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.593 -10.465 0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.189 -11.909 1.616 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.833 -12.396 -0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.594 -12.132 0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.844 -13.090 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.861 -13.626 -2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.122 -13.932 -2.382 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.705 -11.152 2.690 1.00 0.00 N ATOM 1143 CA ASP A 73 -12.740 -12.179 2.684 1.00 0.00 C ATOM 1144 C ASP A 73 -12.407 -13.279 1.680 1.00 0.00 C ATOM 1145 O ASP A 73 -13.298 -13.952 1.163 1.00 0.00 O ATOM 1146 CB ASP A 73 -14.099 -11.562 2.351 1.00 0.00 C ATOM 1147 CG ASP A 73 -14.109 -10.879 0.998 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -13.680 -9.709 0.921 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -14.547 -11.514 0.016 1.00 0.00 O ATOM 0 H ASP A 73 -11.901 -10.352 2.089 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.785 -12.621 3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.862 -12.340 2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.365 -10.839 3.122 1.00 0.00 H new ATOM 1154 N GLY A 74 -11.118 -13.455 1.408 1.00 0.00 N ATOM 1155 CA GLY A 74 -10.690 -14.473 0.466 1.00 0.00 C ATOM 1156 C GLY A 74 -10.810 -14.017 -0.974 1.00 0.00 C ATOM 1157 O GLY A 74 -9.808 -13.719 -1.624 1.00 0.00 O ATOM 0 H GLY A 74 -10.362 -12.911 1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.655 -14.743 0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.289 -15.372 0.610 1.00 0.00 H new ATOM 1161 N ARG A 75 -12.040 -13.964 -1.476 1.00 0.00 N ATOM 1162 CA ARG A 75 -12.286 -13.544 -2.851 1.00 0.00 C ATOM 1163 C ARG A 75 -12.091 -12.039 -3.002 1.00 0.00 C ATOM 1164 O ARG A 75 -11.550 -11.570 -4.004 1.00 0.00 O ATOM 1165 CB ARG A 75 -13.704 -13.931 -3.278 1.00 0.00 C ATOM 1166 CG ARG A 75 -14.028 -13.561 -4.716 1.00 0.00 C ATOM 1167 CD ARG A 75 -15.377 -14.119 -5.144 1.00 0.00 C ATOM 1168 NE ARG A 75 -15.635 -13.899 -6.564 1.00 0.00 N ATOM 1169 CZ ARG A 75 -15.171 -14.689 -7.526 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -14.430 -15.745 -7.221 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -15.448 -14.423 -8.796 1.00 0.00 N ATOM 0 H ARG A 75 -12.881 -14.206 -0.952 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.568 -14.052 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.832 -15.006 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.420 -13.444 -2.616 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.031 -12.476 -4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.249 -13.943 -5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.411 -15.187 -4.931 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.166 -13.651 -4.556 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.202 -13.095 -6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.215 -15.953 -6.246 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.075 -16.350 -7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.018 -13.611 -9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.091 -15.030 -9.534 1.00 0.00 H new ATOM 1185 N HIS A 76 -12.536 -11.286 -2.001 1.00 0.00 N ATOM 1186 CA HIS A 76 -12.411 -9.833 -2.023 1.00 0.00 C ATOM 1187 C HIS A 76 -11.703 -9.329 -0.769 1.00 0.00 C ATOM 1188 O HIS A 76 -11.316 -10.116 0.095 1.00 0.00 O ATOM 1189 CB HIS A 76 -13.789 -9.182 -2.141 1.00 0.00 C ATOM 1190 CG HIS A 76 -14.704 -9.887 -3.095 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -15.961 -10.331 -2.742 1.00 0.00 N ATOM 1192 CD2 HIS A 76 -14.540 -10.222 -4.396 1.00 0.00 C ATOM 1193 CE1 HIS A 76 -16.530 -10.910 -3.784 1.00 0.00 C ATOM 1194 NE2 HIS A 76 -15.688 -10.857 -4.801 1.00 0.00 N ATOM 0 H HIS A 76 -12.986 -11.658 -1.165 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.813 -9.559 -2.892 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.255 -9.155 -1.156 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -13.667 -8.148 -2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -13.668 -10.026 -5.003 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.515 -11.351 -3.802 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.863 -11.228 -5.735 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.538 -8.014 -0.676 1.00 0.00 N ATOM 1204 CA PHE A 77 -10.876 -7.406 0.472 1.00 0.00 C ATOM 1205 C PHE A 77 -11.852 -6.549 1.273 1.00 0.00 C ATOM 1206 O PHE A 77 -12.668 -5.823 0.705 1.00 0.00 O ATOM 1207 CB PHE A 77 -9.691 -6.554 0.013 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.617 -7.345 -0.678 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -8.879 -8.002 -1.870 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.345 -7.432 -0.136 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -7.893 -8.730 -2.508 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.354 -8.158 -0.770 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.629 -8.809 -1.957 1.00 0.00 C ATOM 0 H PHE A 77 -11.854 -7.349 -1.382 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.511 -8.207 1.115 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.051 -5.778 -0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.260 -6.049 0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -9.866 -7.944 -2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.125 -6.927 0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -8.111 -9.237 -3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.366 -8.216 -0.338 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.857 -9.379 -2.453 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.763 -6.639 2.596 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.637 -5.872 3.475 1.00 0.00 C ATOM 1225 C VAL A 78 -11.843 -4.859 4.292 1.00 0.00 C ATOM 1226 O VAL A 78 -11.279 -5.192 5.336 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.415 -6.793 4.435 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.307 -5.973 5.355 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -14.233 -7.808 3.652 1.00 0.00 C ATOM 0 H VAL A 78 -11.094 -7.236 3.083 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.345 -5.344 2.836 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.698 -7.336 5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.849 -6.640 6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.694 -5.288 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.019 -5.402 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.776 -8.450 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.942 -7.286 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.568 -8.416 3.039 1.00 0.00 H new ATOM 1239 N LEU A 79 -11.803 -3.621 3.812 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.078 -2.558 4.498 1.00 0.00 C ATOM 1241 C LEU A 79 -11.741 -2.218 5.829 1.00 0.00 C ATOM 1242 O LEU A 79 -12.575 -1.316 5.907 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.010 -1.309 3.617 1.00 0.00 C ATOM 1244 CG LEU A 79 -10.097 -0.187 4.112 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -9.604 0.654 2.945 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -10.823 0.681 5.129 1.00 0.00 C ATOM 0 H LEU A 79 -12.264 -3.329 2.950 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.066 -2.912 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.678 -1.608 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.018 -0.909 3.510 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.232 -0.636 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.956 1.447 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.046 0.024 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.457 1.094 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.158 1.474 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.706 1.122 4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.125 0.070 5.979 1.00 0.00 H new ATOM 1258 N GLY A 80 -11.363 -2.945 6.876 1.00 0.00 N ATOM 1259 CA GLY A 80 -11.929 -2.705 8.190 1.00 0.00 C ATOM 1260 C GLY A 80 -13.442 -2.798 8.196 1.00 0.00 C ATOM 1261 O GLY A 80 -14.006 -3.849 8.504 1.00 0.00 O ATOM 0 H GLY A 80 -10.674 -3.696 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.521 -3.429 8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.628 -1.717 8.537 1.00 0.00 H new ATOM 1265 N THR A 81 -14.103 -1.695 7.857 1.00 0.00 N ATOM 1266 CA THR A 81 -15.559 -1.656 7.827 1.00 0.00 C ATOM 1267 C THR A 81 -16.104 -2.390 6.607 1.00 0.00 C ATOM 1268 O THR A 81 -15.373 -2.657 5.653 1.00 0.00 O ATOM 1269 CB THR A 81 -16.082 -0.207 7.815 1.00 0.00 C ATOM 1270 OG1 THR A 81 -15.427 0.558 8.833 1.00 0.00 O ATOM 1271 CG2 THR A 81 -17.587 -0.173 8.037 1.00 0.00 C ATOM 0 H THR A 81 -13.652 -0.817 7.599 1.00 0.00 H new ATOM 0 HA THR A 81 -15.907 -2.153 8.733 1.00 0.00 H new ATOM 0 HB THR A 81 -15.865 0.227 6.839 1.00 0.00 H new ATOM 0 HG1 THR A 81 -15.763 1.478 8.818 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.933 0.860 8.025 1.00 0.00 H new ATOM 0 HG22 THR A 81 -18.084 -0.732 7.244 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.823 -0.623 9.001 1.00 0.00 H new ATOM 1279 N SER A 82 -17.392 -2.715 6.644 1.00 0.00 N ATOM 1280 CA SER A 82 -18.035 -3.422 5.543 1.00 0.00 C ATOM 1281 C SER A 82 -17.583 -2.858 4.199 1.00 0.00 C ATOM 1282 O SER A 82 -18.012 -1.779 3.790 1.00 0.00 O ATOM 1283 CB SER A 82 -19.557 -3.324 5.664 1.00 0.00 C ATOM 1284 OG SER A 82 -20.042 -4.177 6.687 1.00 0.00 O ATOM 0 H SER A 82 -18.011 -2.500 7.425 1.00 0.00 H new ATOM 0 HA SER A 82 -17.741 -4.470 5.596 1.00 0.00 H new ATOM 0 HB2 SER A 82 -19.843 -2.294 5.879 1.00 0.00 H new ATOM 0 HB3 SER A 82 -20.019 -3.591 4.714 1.00 0.00 H new ATOM 0 HG SER A 82 -21.017 -4.095 6.746 1.00 0.00 H new ATOM 1290 N ALA A 83 -16.714 -3.597 3.516 1.00 0.00 N ATOM 1291 CA ALA A 83 -16.205 -3.173 2.218 1.00 0.00 C ATOM 1292 C ALA A 83 -15.889 -4.374 1.333 1.00 0.00 C ATOM 1293 O ALA A 83 -15.268 -5.339 1.779 1.00 0.00 O ATOM 1294 CB ALA A 83 -14.969 -2.304 2.394 1.00 0.00 C ATOM 0 H ALA A 83 -16.348 -4.492 3.841 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.980 -2.586 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.600 -1.995 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.225 -1.422 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.196 -2.872 2.911 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.320 -4.309 0.078 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.085 -5.393 -0.868 1.00 0.00 C ATOM 1302 C TYR A 84 -15.556 -4.854 -2.193 1.00 0.00 C ATOM 1303 O TYR A 84 -16.223 -4.070 -2.869 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.375 -6.181 -1.103 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.668 -7.199 -0.024 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -17.848 -6.808 1.297 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -17.765 -8.552 -0.326 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -18.116 -7.735 2.285 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -18.033 -9.486 0.656 1.00 0.00 C ATOM 1310 CZ TYR A 84 -18.207 -9.072 1.960 1.00 0.00 C ATOM 1311 OH TYR A 84 -18.475 -9.999 2.942 1.00 0.00 O ATOM 0 H TYR A 84 -16.834 -3.517 -0.308 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.334 -6.058 -0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.210 -5.483 -1.169 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -17.309 -6.691 -2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -17.777 -5.762 1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -17.628 -8.879 -1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.254 -7.414 3.307 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -18.106 -10.534 0.404 1.00 0.00 H new ATOM 0 HH TYR A 84 -18.507 -10.895 2.546 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.352 -5.281 -2.560 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.731 -4.842 -3.804 1.00 0.00 C ATOM 1323 C PHE A 85 -12.871 -5.951 -4.403 1.00 0.00 C ATOM 1324 O PHE A 85 -11.911 -6.408 -3.784 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.879 -3.595 -3.562 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.665 -2.424 -3.043 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -13.996 -2.335 -1.701 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -14.072 -1.413 -3.898 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.718 -1.259 -1.220 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.794 -0.334 -3.423 1.00 0.00 C ATOM 1331 CZ PHE A 85 -15.119 -0.258 -2.082 1.00 0.00 C ATOM 0 H PHE A 85 -13.787 -5.931 -2.013 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.524 -4.599 -4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.089 -3.837 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.392 -3.311 -4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.686 -3.116 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.823 -1.468 -4.947 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.968 -1.201 -0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.104 0.449 -4.099 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.685 0.583 -1.709 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.223 -6.378 -5.612 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.484 -7.434 -6.294 1.00 0.00 C ATOM 1343 C GLU A 86 -10.980 -7.250 -6.112 1.00 0.00 C ATOM 1344 O GLU A 86 -10.252 -8.211 -5.865 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.831 -7.448 -7.784 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.735 -8.826 -8.418 1.00 0.00 C ATOM 1347 CD GLU A 86 -11.320 -9.369 -8.424 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -10.378 -8.567 -8.600 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -11.153 -10.594 -8.253 1.00 0.00 O ATOM 0 H GLU A 86 -14.015 -6.009 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.772 -8.388 -5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.843 -7.066 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.162 -6.767 -8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.383 -9.516 -7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.106 -8.777 -9.442 1.00 0.00 H new ATOM 1356 N SER A 87 -10.522 -6.008 -6.238 1.00 0.00 N ATOM 1357 CA SER A 87 -9.105 -5.698 -6.092 1.00 0.00 C ATOM 1358 C SER A 87 -8.912 -4.290 -5.538 1.00 0.00 C ATOM 1359 O SER A 87 -9.690 -3.381 -5.832 1.00 0.00 O ATOM 1360 CB SER A 87 -8.391 -5.830 -7.439 1.00 0.00 C ATOM 1361 OG SER A 87 -9.100 -5.152 -8.461 1.00 0.00 O ATOM 0 H SER A 87 -11.112 -5.201 -6.441 1.00 0.00 H new ATOM 0 HA SER A 87 -8.673 -6.410 -5.388 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.383 -5.424 -7.361 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.291 -6.884 -7.699 1.00 0.00 H new ATOM 0 HG SER A 87 -8.622 -5.250 -9.311 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.868 -4.115 -4.734 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.571 -2.818 -4.137 1.00 0.00 C ATOM 1369 C LEU A 88 -7.806 -1.691 -5.138 1.00 0.00 C ATOM 1370 O LEU A 88 -8.263 -0.608 -4.773 1.00 0.00 O ATOM 1371 CB LEU A 88 -6.124 -2.782 -3.642 1.00 0.00 C ATOM 1372 CG LEU A 88 -5.778 -3.748 -2.508 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.272 -3.822 -2.311 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.467 -3.325 -1.219 1.00 0.00 C ATOM 0 H LEU A 88 -7.214 -4.855 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.242 -2.673 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.467 -2.994 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.900 -1.768 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.137 -4.741 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.045 -4.514 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.802 -4.172 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.889 -2.833 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.210 -4.023 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.139 -2.323 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.547 -3.325 -1.367 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.493 -1.955 -6.402 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.673 -0.965 -7.457 1.00 0.00 C ATOM 1388 C VAL A 89 -9.022 -0.265 -7.329 1.00 0.00 C ATOM 1389 O VAL A 89 -9.087 0.950 -7.149 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.570 -1.606 -8.853 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.739 -0.554 -9.939 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.244 -2.336 -9.007 1.00 0.00 C ATOM 0 H VAL A 89 -7.113 -2.846 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.874 -0.232 -7.343 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.374 -2.334 -8.959 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.663 -1.027 -10.918 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.716 -0.081 -9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.959 0.201 -9.839 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.188 -2.783 -9.999 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.423 -1.630 -8.880 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.170 -3.118 -8.252 1.00 0.00 H new ATOM 1402 N GLU A 90 -10.097 -1.042 -7.424 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.445 -0.496 -7.319 1.00 0.00 C ATOM 1404 C GLU A 90 -11.624 0.262 -6.007 1.00 0.00 C ATOM 1405 O GLU A 90 -12.088 1.403 -5.995 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.482 -1.617 -7.419 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.715 -2.105 -8.839 1.00 0.00 C ATOM 1408 CD GLU A 90 -13.332 -1.043 -9.728 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -14.529 -0.738 -9.545 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -12.618 -0.517 -10.607 1.00 0.00 O ATOM 0 H GLU A 90 -10.060 -2.050 -7.573 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.593 0.201 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.158 -2.456 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.427 -1.265 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.766 -2.427 -9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.367 -2.978 -8.817 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.254 -0.380 -4.905 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.374 0.232 -3.586 1.00 0.00 C ATOM 1419 C LEU A 91 -10.805 1.648 -3.589 1.00 0.00 C ATOM 1420 O LEU A 91 -11.454 2.590 -3.135 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.652 -0.618 -2.539 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.781 -0.150 -1.089 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.711 -1.334 -0.138 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -9.697 0.866 -0.759 1.00 0.00 C ATOM 0 H LEU A 91 -10.868 -1.324 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.433 0.286 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.030 -1.638 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.593 -0.653 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.752 0.331 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.805 -0.982 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.523 -2.027 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.755 -1.844 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.804 1.188 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.717 0.410 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.793 1.728 -1.419 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.589 1.790 -4.106 1.00 0.00 N ATOM 1437 CA VAL A 92 -8.933 3.090 -4.171 1.00 0.00 C ATOM 1438 C VAL A 92 -9.780 4.094 -4.947 1.00 0.00 C ATOM 1439 O VAL A 92 -10.145 5.147 -4.426 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.546 2.987 -4.832 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -6.934 4.368 -5.009 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.631 2.091 -4.010 1.00 0.00 C ATOM 0 H VAL A 92 -9.038 1.020 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.813 3.436 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.665 2.540 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.954 4.274 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.582 4.975 -5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.826 4.846 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.655 2.029 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.517 2.508 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.065 1.094 -3.940 1.00 0.00 H new ATOM 1452 N SER A 93 -10.088 3.759 -6.196 1.00 0.00 N ATOM 1453 CA SER A 93 -10.889 4.632 -7.046 1.00 0.00 C ATOM 1454 C SER A 93 -12.233 4.942 -6.393 1.00 0.00 C ATOM 1455 O SER A 93 -12.517 6.088 -6.044 1.00 0.00 O ATOM 1456 CB SER A 93 -11.111 3.984 -8.413 1.00 0.00 C ATOM 1457 OG SER A 93 -11.560 4.937 -9.362 1.00 0.00 O ATOM 0 H SER A 93 -9.795 2.889 -6.642 1.00 0.00 H new ATOM 0 HA SER A 93 -10.345 5.567 -7.179 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.182 3.531 -8.759 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.843 3.182 -8.324 1.00 0.00 H new ATOM 0 HG SER A 93 -11.693 4.498 -10.228 1.00 0.00 H new ATOM 1463 N TYR A 94 -13.056 3.913 -6.231 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.371 4.074 -5.622 1.00 0.00 C ATOM 1465 C TYR A 94 -14.297 4.978 -4.396 1.00 0.00 C ATOM 1466 O TYR A 94 -15.209 5.763 -4.134 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.946 2.711 -5.231 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.268 2.798 -4.502 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -16.314 2.901 -3.117 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -17.470 2.777 -5.198 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -17.519 2.980 -2.447 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.680 2.857 -4.536 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.699 2.958 -3.161 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.903 3.036 -2.498 1.00 0.00 O ATOM 0 H TYR A 94 -12.836 2.958 -6.513 1.00 0.00 H new ATOM 0 HA TYR A 94 -15.028 4.541 -6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -15.076 2.109 -6.130 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -14.226 2.190 -4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.392 2.920 -2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -17.458 2.697 -6.275 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -17.537 3.059 -1.370 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.606 2.841 -5.092 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.636 3.009 -3.147 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.205 4.863 -3.649 1.00 0.00 N ATOM 1485 CA TYR A 95 -13.011 5.668 -2.450 1.00 0.00 C ATOM 1486 C TYR A 95 -12.809 7.138 -2.806 1.00 0.00 C ATOM 1487 O TYR A 95 -13.338 8.027 -2.140 1.00 0.00 O ATOM 1488 CB TYR A 95 -11.808 5.155 -1.655 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.144 4.020 -0.714 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -12.992 2.993 -1.107 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -11.611 3.975 0.569 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.302 1.955 -0.250 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -11.914 2.940 1.432 1.00 0.00 C ATOM 1494 CZ TYR A 95 -12.760 1.933 1.018 1.00 0.00 C ATOM 1495 OH TYR A 95 -13.065 0.899 1.874 1.00 0.00 O ATOM 0 H TYR A 95 -12.440 4.220 -3.853 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.908 5.582 -1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.038 4.823 -2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.385 5.979 -1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.417 3.006 -2.100 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.949 4.763 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -13.965 1.165 -0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -11.491 2.920 2.425 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.240 0.086 1.356 1.00 0.00 H new ATOM 1505 N GLU A 96 -12.041 7.383 -3.863 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.770 8.745 -4.309 1.00 0.00 C ATOM 1507 C GLU A 96 -12.987 9.640 -4.097 1.00 0.00 C ATOM 1508 O GLU A 96 -12.860 10.794 -3.687 1.00 0.00 O ATOM 1509 CB GLU A 96 -11.370 8.751 -5.786 1.00 0.00 C ATOM 1510 CG GLU A 96 -10.035 8.079 -6.058 1.00 0.00 C ATOM 1511 CD GLU A 96 -8.860 9.020 -5.874 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -8.900 10.135 -6.437 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -7.901 8.642 -5.169 1.00 0.00 O ATOM 0 H GLU A 96 -11.596 6.658 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.945 9.137 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.145 8.249 -6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.327 9.782 -6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.920 7.225 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -10.029 7.691 -7.076 1.00 0.00 H new ATOM 1520 N LYS A 97 -14.168 9.100 -4.379 1.00 0.00 N ATOM 1521 CA LYS A 97 -15.410 9.847 -4.219 1.00 0.00 C ATOM 1522 C LYS A 97 -15.801 9.944 -2.748 1.00 0.00 C ATOM 1523 O LYS A 97 -16.177 11.012 -2.264 1.00 0.00 O ATOM 1524 CB LYS A 97 -16.535 9.182 -5.014 1.00 0.00 C ATOM 1525 CG LYS A 97 -16.357 9.281 -6.519 1.00 0.00 C ATOM 1526 CD LYS A 97 -16.753 10.653 -7.039 1.00 0.00 C ATOM 1527 CE LYS A 97 -16.661 10.722 -8.555 1.00 0.00 C ATOM 1528 NZ LYS A 97 -15.259 10.920 -9.017 1.00 0.00 N ATOM 0 H LYS A 97 -14.291 8.147 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.250 10.855 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.595 8.131 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.484 9.641 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.317 9.079 -6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.961 8.517 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.771 10.883 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.105 11.411 -6.599 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.059 9.803 -8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.283 11.540 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.238 10.962 -10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.887 11.810 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.671 10.127 -8.691 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.708 8.822 -2.040 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.050 8.781 -0.623 1.00 0.00 C ATOM 1544 C HIS A 98 -14.797 8.883 0.242 1.00 0.00 C ATOM 1545 O HIS A 98 -13.985 7.959 0.285 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.807 7.494 -0.296 1.00 0.00 C ATOM 1547 CG HIS A 98 -17.925 7.198 -1.248 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -19.248 7.457 -0.959 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -17.911 6.663 -2.491 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -19.999 7.093 -1.983 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -19.212 6.608 -2.926 1.00 0.00 N ATOM 0 H HIS A 98 -15.399 7.930 -2.425 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.691 9.635 -0.405 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.106 6.659 -0.301 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.210 7.566 0.714 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -17.038 6.339 -3.039 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -21.074 7.178 -2.039 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -19.520 6.251 -3.830 1.00 0.00 H new ATOM 1560 N ALA A 99 -14.647 10.011 0.928 1.00 0.00 N ATOM 1561 CA ALA A 99 -13.495 10.232 1.792 1.00 0.00 C ATOM 1562 C ALA A 99 -13.200 8.999 2.641 1.00 0.00 C ATOM 1563 O ALA A 99 -14.061 8.525 3.384 1.00 0.00 O ATOM 1564 CB ALA A 99 -13.726 11.444 2.681 1.00 0.00 C ATOM 0 H ALA A 99 -15.309 10.786 0.902 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.628 10.420 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.857 11.597 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.879 12.327 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -14.608 11.278 3.300 1.00 0.00 H new ATOM 1570 N LEU A 100 -11.981 8.485 2.525 1.00 0.00 N ATOM 1571 CA LEU A 100 -11.573 7.306 3.282 1.00 0.00 C ATOM 1572 C LEU A 100 -11.686 7.557 4.783 1.00 0.00 C ATOM 1573 O LEU A 100 -12.341 6.802 5.501 1.00 0.00 O ATOM 1574 CB LEU A 100 -10.138 6.917 2.924 1.00 0.00 C ATOM 1575 CG LEU A 100 -9.402 6.053 3.948 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -10.035 4.673 4.035 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -7.927 5.943 3.591 1.00 0.00 C ATOM 0 H LEU A 100 -11.258 8.865 1.915 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.241 6.486 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.154 6.384 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.563 7.830 2.769 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.485 6.531 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.498 4.072 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.078 4.769 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.984 4.187 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.419 5.324 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.824 5.489 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.480 6.937 3.581 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.044 8.622 5.248 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.071 8.973 6.664 1.00 0.00 C ATOM 1591 C TYR A 101 -12.206 9.948 6.962 1.00 0.00 C ATOM 1592 O TYR A 101 -12.837 10.481 6.049 1.00 0.00 O ATOM 1593 CB TYR A 101 -9.734 9.585 7.085 1.00 0.00 C ATOM 1594 CG TYR A 101 -9.646 9.889 8.563 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -9.819 8.887 9.510 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.390 11.179 9.013 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -9.740 9.161 10.862 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.308 11.461 10.363 1.00 0.00 C ATOM 1599 CZ TYR A 101 -9.485 10.449 11.283 1.00 0.00 C ATOM 1600 OH TYR A 101 -9.404 10.726 12.629 1.00 0.00 O ATOM 0 H TYR A 101 -10.498 9.258 4.666 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.241 8.060 7.235 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -8.930 8.901 6.815 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.572 10.505 6.523 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -10.019 7.877 9.184 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -9.253 11.974 8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -9.877 8.371 11.585 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -9.106 12.468 10.696 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.218 11.680 12.756 1.00 0.00 H new ATOM 1610 N ARG A 102 -12.460 10.176 8.246 1.00 0.00 N ATOM 1611 CA ARG A 102 -13.518 11.086 8.666 1.00 0.00 C ATOM 1612 C ARG A 102 -13.582 12.305 7.751 1.00 0.00 C ATOM 1613 O ARG A 102 -14.626 12.606 7.171 1.00 0.00 O ATOM 1614 CB ARG A 102 -13.293 11.531 10.112 1.00 0.00 C ATOM 1615 CG ARG A 102 -13.955 10.627 11.138 1.00 0.00 C ATOM 1616 CD ARG A 102 -13.064 9.448 11.499 1.00 0.00 C ATOM 1617 NE ARG A 102 -13.187 8.355 10.540 1.00 0.00 N ATOM 1618 CZ ARG A 102 -12.867 7.095 10.816 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -12.407 6.773 12.017 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -13.007 6.156 9.889 1.00 0.00 N ATOM 0 H ARG A 102 -11.947 9.743 9.014 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.467 10.554 8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.222 11.567 10.310 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -13.674 12.545 10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.183 11.200 12.036 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.903 10.261 10.744 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.026 9.778 11.541 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.325 9.088 12.494 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.538 8.570 9.607 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.298 7.493 12.731 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.162 5.805 12.227 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.360 6.401 8.964 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.761 5.189 10.101 1.00 0.00 H new ATOM 1634 N LYS A 103 -12.459 13.004 7.626 1.00 0.00 N ATOM 1635 CA LYS A 103 -12.385 14.190 6.781 1.00 0.00 C ATOM 1636 C LYS A 103 -11.126 14.168 5.921 1.00 0.00 C ATOM 1637 O LYS A 103 -10.131 14.816 6.244 1.00 0.00 O ATOM 1638 CB LYS A 103 -12.406 15.456 7.641 1.00 0.00 C ATOM 1639 CG LYS A 103 -13.795 15.841 8.122 1.00 0.00 C ATOM 1640 CD LYS A 103 -14.539 16.659 7.081 1.00 0.00 C ATOM 1641 CE LYS A 103 -13.993 18.076 6.991 1.00 0.00 C ATOM 1642 NZ LYS A 103 -14.667 18.864 5.922 1.00 0.00 N ATOM 0 H LYS A 103 -11.587 12.769 8.100 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.253 14.191 6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -11.759 15.309 8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -11.987 16.282 7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.364 14.940 8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -13.715 16.413 9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.457 16.174 6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.599 16.692 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.125 18.578 7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -12.921 18.040 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.267 19.823 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.520 18.400 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.686 18.920 6.122 1.00 0.00 H new ATOM 1656 N MET A 104 -11.177 13.419 4.824 1.00 0.00 N ATOM 1657 CA MET A 104 -10.041 13.316 3.916 1.00 0.00 C ATOM 1658 C MET A 104 -10.405 12.502 2.679 1.00 0.00 C ATOM 1659 O MET A 104 -11.055 11.461 2.779 1.00 0.00 O ATOM 1660 CB MET A 104 -8.848 12.676 4.629 1.00 0.00 C ATOM 1661 CG MET A 104 -7.502 13.158 4.113 1.00 0.00 C ATOM 1662 SD MET A 104 -6.139 12.095 4.629 1.00 0.00 S ATOM 1663 CE MET A 104 -6.351 10.708 3.515 1.00 0.00 C ATOM 0 H MET A 104 -11.993 12.875 4.543 1.00 0.00 H new ATOM 0 HA MET A 104 -9.769 14.323 3.599 1.00 0.00 H new ATOM 0 HB2 MET A 104 -8.916 12.888 5.696 1.00 0.00 H new ATOM 0 HB3 MET A 104 -8.905 11.593 4.515 1.00 0.00 H new ATOM 0 HG2 MET A 104 -7.530 13.204 3.024 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.322 14.172 4.470 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.360 9.780 4.087 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.294 10.813 2.979 1.00 0.00 H new ATOM 0 HE3 MET A 104 -5.528 10.686 2.801 1.00 0.00 H new ATOM 1673 N ARG A 105 -9.983 12.982 1.514 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.267 12.299 0.257 1.00 0.00 C ATOM 1675 C ARG A 105 -8.979 12.010 -0.508 1.00 0.00 C ATOM 1676 O ARG A 105 -8.225 12.925 -0.844 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.207 13.143 -0.605 1.00 0.00 C ATOM 1678 CG ARG A 105 -12.635 13.186 -0.088 1.00 0.00 C ATOM 1679 CD ARG A 105 -13.611 13.601 -1.178 1.00 0.00 C ATOM 1680 NE ARG A 105 -14.895 14.029 -0.630 1.00 0.00 N ATOM 1681 CZ ARG A 105 -15.741 14.825 -1.274 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -15.440 15.277 -2.484 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -16.891 15.170 -0.709 1.00 0.00 N ATOM 0 H ARG A 105 -9.443 13.842 1.414 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.751 11.351 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -10.819 14.160 -0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.209 12.746 -1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.913 12.205 0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.700 13.885 0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.178 14.413 -1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.769 12.766 -1.860 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.157 13.698 0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -14.557 15.013 -2.922 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -16.091 15.888 -2.977 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -17.126 14.824 0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -17.540 15.781 -1.205 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.732 10.734 -0.779 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.535 10.323 -1.504 1.00 0.00 C ATOM 1699 C LEU A 106 -7.324 11.190 -2.741 1.00 0.00 C ATOM 1700 O LEU A 106 -7.907 10.937 -3.795 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.639 8.852 -1.910 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.040 7.877 -0.802 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -8.218 6.475 -1.363 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -7.003 7.880 0.312 1.00 0.00 C ATOM 0 H LEU A 106 -9.345 9.965 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.678 10.450 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.365 8.770 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.676 8.538 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.993 8.203 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.503 5.795 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.998 6.484 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.281 6.139 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.305 7.181 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.036 7.580 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.925 8.882 0.734 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.484 12.211 -2.606 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.195 13.115 -3.713 1.00 0.00 C ATOM 1718 C ARG A 107 -4.788 12.878 -4.255 1.00 0.00 C ATOM 1719 O ARG A 107 -4.578 12.835 -5.467 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.342 14.569 -3.264 1.00 0.00 C ATOM 1721 CG ARG A 107 -7.785 15.042 -3.193 1.00 0.00 C ATOM 1722 CD ARG A 107 -7.872 16.559 -3.135 1.00 0.00 C ATOM 1723 NE ARG A 107 -9.233 17.038 -3.361 1.00 0.00 N ATOM 1724 CZ ARG A 107 -10.187 17.003 -2.437 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -9.930 16.515 -1.232 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -11.402 17.458 -2.719 1.00 0.00 N ATOM 0 H ARG A 107 -5.991 12.433 -1.741 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.911 12.914 -4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.882 14.686 -2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.792 15.210 -3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.331 14.678 -4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.266 14.615 -2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.523 16.905 -2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.207 16.989 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 107 -9.464 17.420 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.998 16.165 -1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.665 16.490 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.603 17.835 -3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -12.134 17.431 -2.009 1.00 0.00 H new ATOM 1740 N TYR A 108 -3.829 12.726 -3.349 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.442 12.497 -3.735 1.00 0.00 C ATOM 1742 C TYR A 108 -1.954 11.141 -3.235 1.00 0.00 C ATOM 1743 O TYR A 108 -1.497 10.996 -2.100 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.547 13.609 -3.184 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.144 14.991 -3.323 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.289 15.585 -4.570 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.563 15.703 -2.205 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -2.833 16.848 -4.701 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.109 16.966 -2.327 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.242 17.534 -3.576 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.786 18.792 -3.703 1.00 0.00 O ATOM 0 H TYR A 108 -3.987 12.757 -2.342 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.389 12.503 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.346 13.414 -2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.588 13.583 -3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.971 15.050 -5.453 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.460 15.261 -1.225 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.938 17.296 -5.678 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.430 17.506 -1.448 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.023 19.137 -2.817 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.051 10.122 -4.101 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.624 8.759 -3.771 1.00 0.00 C ATOM 1763 C PRO A 109 -0.109 8.640 -3.650 1.00 0.00 C ATOM 1764 O PRO A 109 0.593 8.469 -4.648 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.132 7.932 -4.955 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.218 8.899 -6.084 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.585 10.222 -5.470 1.00 0.00 C ATOM 0 HA PRO A 109 -2.013 8.432 -2.807 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.451 7.113 -5.187 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.104 7.488 -4.740 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.268 8.965 -6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.967 8.585 -6.811 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.141 11.055 -6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.664 10.380 -5.470 1.00 0.00 H new ATOM 1775 N VAL A 110 0.391 8.730 -2.422 1.00 0.00 N ATOM 1776 CA VAL A 110 1.824 8.631 -2.170 1.00 0.00 C ATOM 1777 C VAL A 110 2.494 7.696 -3.171 1.00 0.00 C ATOM 1778 O VAL A 110 2.171 6.510 -3.243 1.00 0.00 O ATOM 1779 CB VAL A 110 2.110 8.127 -0.743 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.603 7.918 -0.539 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.554 9.100 0.286 1.00 0.00 C ATOM 0 H VAL A 110 -0.175 8.871 -1.585 1.00 0.00 H new ATOM 0 HA VAL A 110 2.235 9.634 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 110 1.612 7.167 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.785 7.562 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.968 7.181 -1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.127 8.862 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.765 8.729 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 110 2.022 10.076 0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.476 9.194 0.153 1.00 0.00 H new ATOM 1791 N THR A 111 3.432 8.237 -3.943 1.00 0.00 N ATOM 1792 CA THR A 111 4.148 7.452 -4.940 1.00 0.00 C ATOM 1793 C THR A 111 5.656 7.555 -4.742 1.00 0.00 C ATOM 1794 O THR A 111 6.162 8.492 -4.125 1.00 0.00 O ATOM 1795 CB THR A 111 3.797 7.906 -6.370 1.00 0.00 C ATOM 1796 OG1 THR A 111 3.606 9.325 -6.400 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.540 7.209 -6.866 1.00 0.00 C ATOM 0 H THR A 111 3.713 9.216 -3.896 1.00 0.00 H new ATOM 0 HA THR A 111 3.837 6.415 -4.809 1.00 0.00 H new ATOM 0 HB THR A 111 4.625 7.637 -7.026 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.385 9.606 -7.312 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.312 7.546 -7.877 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.699 6.131 -6.870 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.706 7.450 -6.207 1.00 0.00 H new ATOM 1805 N PRO A 112 6.392 6.570 -5.277 1.00 0.00 N ATOM 1806 CA PRO A 112 7.854 6.528 -5.172 1.00 0.00 C ATOM 1807 C PRO A 112 8.526 7.615 -6.004 1.00 0.00 C ATOM 1808 O PRO A 112 9.752 7.710 -6.042 1.00 0.00 O ATOM 1809 CB PRO A 112 8.209 5.142 -5.716 1.00 0.00 C ATOM 1810 CG PRO A 112 7.081 4.791 -6.625 1.00 0.00 C ATOM 1811 CD PRO A 112 5.855 5.421 -6.025 1.00 0.00 C ATOM 0 HA PRO A 112 8.195 6.700 -4.151 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.158 5.158 -6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.309 4.414 -4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.260 5.167 -7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 112 6.965 3.710 -6.704 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.149 5.736 -6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.326 4.728 -5.371 1.00 0.00 H new ATOM 1819 N GLU A 113 7.714 8.432 -6.668 1.00 0.00 N ATOM 1820 CA GLU A 113 8.232 9.512 -7.500 1.00 0.00 C ATOM 1821 C GLU A 113 8.075 10.860 -6.802 1.00 0.00 C ATOM 1822 O GLU A 113 8.845 11.790 -7.043 1.00 0.00 O ATOM 1823 CB GLU A 113 7.512 9.537 -8.849 1.00 0.00 C ATOM 1824 CG GLU A 113 7.695 8.265 -9.661 1.00 0.00 C ATOM 1825 CD GLU A 113 6.548 8.015 -10.620 1.00 0.00 C ATOM 1826 OE1 GLU A 113 6.602 8.527 -11.758 1.00 0.00 O ATOM 1827 OE2 GLU A 113 5.595 7.307 -10.233 1.00 0.00 O ATOM 0 H GLU A 113 6.696 8.367 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 113 9.294 9.330 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 113 6.448 9.700 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 113 7.876 10.384 -9.430 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.627 8.328 -10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 113 7.789 7.416 -8.984 1.00 0.00 H new ATOM 1834 N LEU A 114 7.072 10.957 -5.936 1.00 0.00 N ATOM 1835 CA LEU A 114 6.812 12.190 -5.202 1.00 0.00 C ATOM 1836 C LEU A 114 7.867 12.415 -4.124 1.00 0.00 C ATOM 1837 O LEU A 114 8.346 13.534 -3.932 1.00 0.00 O ATOM 1838 CB LEU A 114 5.420 12.146 -4.569 1.00 0.00 C ATOM 1839 CG LEU A 114 4.852 13.487 -4.103 1.00 0.00 C ATOM 1840 CD1 LEU A 114 4.100 14.170 -5.234 1.00 0.00 C ATOM 1841 CD2 LEU A 114 3.944 13.292 -2.897 1.00 0.00 C ATOM 0 H LEU A 114 6.426 10.197 -5.725 1.00 0.00 H new ATOM 0 HA LEU A 114 6.858 13.020 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.728 11.712 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.453 11.471 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 114 5.682 14.128 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.703 15.123 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.779 14.345 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.278 13.533 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.549 14.257 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.119 12.633 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.513 12.847 -2.081 1.00 0.00 H new ATOM 1853 N LEU A 115 8.227 11.346 -3.423 1.00 0.00 N ATOM 1854 CA LEU A 115 9.227 11.425 -2.364 1.00 0.00 C ATOM 1855 C LEU A 115 10.547 11.969 -2.903 1.00 0.00 C ATOM 1856 O LEU A 115 11.116 12.906 -2.345 1.00 0.00 O ATOM 1857 CB LEU A 115 9.448 10.047 -1.739 1.00 0.00 C ATOM 1858 CG LEU A 115 8.555 9.701 -0.547 1.00 0.00 C ATOM 1859 CD1 LEU A 115 8.859 10.613 0.631 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.086 9.798 -0.934 1.00 0.00 C ATOM 0 H LEU A 115 7.841 10.413 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 115 8.857 12.108 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.299 9.292 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.488 9.977 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 115 8.764 8.674 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.214 10.352 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.902 10.493 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.680 11.649 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.466 9.548 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.862 10.814 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.877 9.102 -1.746 1.00 0.00 H new ATOM 1872 N GLU A 116 11.026 11.374 -3.991 1.00 0.00 N ATOM 1873 CA GLU A 116 12.278 11.800 -4.605 1.00 0.00 C ATOM 1874 C GLU A 116 12.160 13.219 -5.154 1.00 0.00 C ATOM 1875 O GLU A 116 13.049 14.048 -4.958 1.00 0.00 O ATOM 1876 CB GLU A 116 12.675 10.839 -5.727 1.00 0.00 C ATOM 1877 CG GLU A 116 11.626 10.712 -6.819 1.00 0.00 C ATOM 1878 CD GLU A 116 12.107 9.888 -7.998 1.00 0.00 C ATOM 1879 OE1 GLU A 116 12.573 8.751 -7.777 1.00 0.00 O ATOM 1880 OE2 GLU A 116 12.016 10.381 -9.142 1.00 0.00 O ATOM 0 H GLU A 116 10.566 10.596 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 116 13.051 11.789 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.610 11.179 -6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.864 9.854 -5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.728 10.255 -6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 116 11.346 11.707 -7.166 1.00 0.00 H new ATOM 1887 N ARG A 117 11.056 13.491 -5.842 1.00 0.00 N ATOM 1888 CA ARG A 117 10.822 14.808 -6.421 1.00 0.00 C ATOM 1889 C ARG A 117 10.709 15.869 -5.330 1.00 0.00 C ATOM 1890 O ARG A 117 11.060 17.030 -5.541 1.00 0.00 O ATOM 1891 CB ARG A 117 9.548 14.796 -7.269 1.00 0.00 C ATOM 1892 CG ARG A 117 9.108 16.178 -7.726 1.00 0.00 C ATOM 1893 CD ARG A 117 8.116 16.094 -8.875 1.00 0.00 C ATOM 1894 NE ARG A 117 8.784 15.973 -10.168 1.00 0.00 N ATOM 1895 CZ ARG A 117 9.065 14.809 -10.744 1.00 0.00 C ATOM 1896 NH1 ARG A 117 8.735 13.673 -10.145 1.00 0.00 N ATOM 1897 NH2 ARG A 117 9.675 14.780 -11.921 1.00 0.00 N ATOM 0 H ARG A 117 10.310 12.817 -6.012 1.00 0.00 H new ATOM 0 HA ARG A 117 11.672 15.054 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.710 14.167 -8.145 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.743 14.339 -6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.655 16.712 -6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.979 16.754 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.459 15.237 -8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.485 16.983 -8.875 1.00 0.00 H new ATOM 0 HE ARG A 117 9.049 16.829 -10.656 1.00 0.00 H new ATOM 0 HH11 ARG A 117 8.264 13.691 -9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 117 8.952 12.781 -10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.929 15.652 -12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 117 9.890 13.886 -12.362 1.00 0.00 H new ATOM 1911 N TYR A 118 10.218 15.462 -4.165 1.00 0.00 N ATOM 1912 CA TYR A 118 10.056 16.378 -3.042 1.00 0.00 C ATOM 1913 C TYR A 118 11.291 16.365 -2.146 1.00 0.00 C ATOM 1914 O TYR A 118 11.201 16.606 -0.942 1.00 0.00 O ATOM 1915 CB TYR A 118 8.817 16.006 -2.227 1.00 0.00 C ATOM 1916 CG TYR A 118 7.516 16.409 -2.883 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.305 16.195 -4.240 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.499 17.006 -2.148 1.00 0.00 C ATOM 1919 CE1 TYR A 118 6.118 16.563 -4.845 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.309 17.375 -2.744 1.00 0.00 C ATOM 1921 CZ TYR A 118 5.123 17.152 -4.092 1.00 0.00 C ATOM 1922 OH TYR A 118 3.940 17.520 -4.690 1.00 0.00 O ATOM 0 H TYR A 118 9.925 14.504 -3.973 1.00 0.00 H new ATOM 0 HA TYR A 118 9.930 17.384 -3.442 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.812 14.929 -2.061 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.882 16.479 -1.247 1.00 0.00 H new ATOM 0 HD1 TYR A 118 8.082 15.733 -4.832 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.642 17.185 -1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.970 16.391 -5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.528 17.836 -2.157 1.00 0.00 H new ATOM 0 HH TYR A 118 3.346 17.919 -4.021 1.00 0.00 H new ATOM 1932 N SER A 119 12.444 16.082 -2.744 1.00 0.00 N ATOM 1933 CA SER A 119 13.698 16.034 -2.001 1.00 0.00 C ATOM 1934 C SER A 119 14.059 17.411 -1.453 1.00 0.00 C ATOM 1935 O SER A 119 14.421 17.552 -0.286 1.00 0.00 O ATOM 1936 CB SER A 119 14.826 15.517 -2.896 1.00 0.00 C ATOM 1937 OG SER A 119 16.048 15.438 -2.182 1.00 0.00 O ATOM 0 H SER A 119 12.536 15.883 -3.740 1.00 0.00 H new ATOM 0 HA SER A 119 13.568 15.351 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.564 14.533 -3.285 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.945 16.178 -3.755 1.00 0.00 H new ATOM 0 HG SER A 119 16.753 15.104 -2.775 1.00 0.00 H new