USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 875 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 TYR OH : rot 180:sc= 0.0257 USER MOD Set 1.2: A 98 HIS : no HE2:sc= 0.606 K(o=0.63,f=-2.4!) USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 HIS :FLIP no HE2:sc= -4.02! C(o=-5.3!,f=-4!) USER MOD Set 3.1: A 23 TYR OH : rot 150:sc= 0 USER MOD Set 3.2: A 34 MET CE :methyl -164:sc= -2.62 (180deg=-3.26) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 16 HIS : no HD1:sc= -2.66! C(o=-2.7!,f=-5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00604 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -110:sc= -1.59! (180deg=-4.36!) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0331 USER MOD Single : A 71 ASN : amide:sc= -0.969 K(o=-0.97,f=-1.5) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.00067) 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 95 TYR OH : rot 130:sc= -0.699 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0882 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -57:sc= 0.0051 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -2.489 -9.830 -9.799 1.00 0.00 N ATOM 151 CA ASN A 14 -2.538 -8.783 -8.785 1.00 0.00 C ATOM 152 C ASN A 14 -2.184 -7.426 -9.387 1.00 0.00 C ATOM 153 O ASN A 14 -1.032 -7.148 -9.719 1.00 0.00 O ATOM 154 CB ASN A 14 -1.581 -9.110 -7.638 1.00 0.00 C ATOM 155 CG ASN A 14 -1.570 -10.588 -7.297 1.00 0.00 C ATOM 156 OD1 ASN A 14 -0.822 -11.367 -7.888 1.00 0.00 O ATOM 157 ND2 ASN A 14 -2.403 -10.980 -6.340 1.00 0.00 N ATOM 0 HA ASN A 14 -3.556 -8.734 -8.397 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.573 -8.795 -7.908 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.868 -8.538 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.441 -11.962 -6.068 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.005 -10.299 -5.877 1.00 0.00 H new ATOM 164 N PRO A 15 -3.198 -6.560 -9.530 1.00 0.00 N ATOM 165 CA PRO A 15 -3.019 -5.217 -10.091 1.00 0.00 C ATOM 166 C PRO A 15 -2.238 -4.299 -9.157 1.00 0.00 C ATOM 167 O PRO A 15 -1.268 -3.660 -9.567 1.00 0.00 O ATOM 168 CB PRO A 15 -4.453 -4.710 -10.262 1.00 0.00 C ATOM 169 CG PRO A 15 -5.247 -5.472 -9.257 1.00 0.00 C ATOM 170 CD PRO A 15 -4.598 -6.824 -9.155 1.00 0.00 C ATOM 0 HA PRO A 15 -2.445 -5.235 -11.018 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.517 -3.636 -10.085 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.818 -4.889 -11.273 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.245 -4.965 -8.292 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.288 -5.561 -9.568 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.674 -7.231 -8.147 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.065 -7.545 -9.826 1.00 0.00 H new ATOM 178 N HIS A 16 -2.665 -4.237 -7.900 1.00 0.00 N ATOM 179 CA HIS A 16 -2.004 -3.397 -6.908 1.00 0.00 C ATOM 180 C HIS A 16 -0.487 -3.523 -7.014 1.00 0.00 C ATOM 181 O HIS A 16 0.220 -2.524 -7.140 1.00 0.00 O ATOM 182 CB HIS A 16 -2.462 -3.778 -5.500 1.00 0.00 C ATOM 183 CG HIS A 16 -2.564 -5.256 -5.283 1.00 0.00 C ATOM 184 ND1 HIS A 16 -3.595 -6.021 -5.786 1.00 0.00 N ATOM 185 CD2 HIS A 16 -1.756 -6.111 -4.613 1.00 0.00 C ATOM 186 CE1 HIS A 16 -3.417 -7.282 -5.433 1.00 0.00 C ATOM 187 NE2 HIS A 16 -2.308 -7.363 -4.721 1.00 0.00 N ATOM 0 H HIS A 16 -3.466 -4.759 -7.544 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.279 -2.361 -7.103 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.764 -3.360 -4.774 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.433 -3.323 -5.307 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.846 -5.855 -4.091 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.068 -8.106 -5.684 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -1.924 -8.217 -4.317 1.00 0.00 H new ATOM 196 N GLU A 17 0.005 -4.757 -6.961 1.00 0.00 N ATOM 197 CA GLU A 17 1.438 -5.011 -7.049 1.00 0.00 C ATOM 198 C GLU A 17 2.096 -4.074 -8.058 1.00 0.00 C ATOM 199 O GLU A 17 3.219 -3.614 -7.853 1.00 0.00 O ATOM 200 CB GLU A 17 1.696 -6.467 -7.445 1.00 0.00 C ATOM 201 CG GLU A 17 2.963 -7.047 -6.837 1.00 0.00 C ATOM 202 CD GLU A 17 4.183 -6.824 -7.709 1.00 0.00 C ATOM 203 OE1 GLU A 17 4.434 -7.660 -8.602 1.00 0.00 O ATOM 204 OE2 GLU A 17 4.887 -5.814 -7.498 1.00 0.00 O ATOM 0 H GLU A 17 -0.567 -5.595 -6.858 1.00 0.00 H new ATOM 0 HA GLU A 17 1.875 -4.825 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.845 -7.075 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.761 -6.534 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.132 -6.595 -5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.827 -8.116 -6.675 1.00 0.00 H new ATOM 211 N SER A 18 1.388 -3.797 -9.148 1.00 0.00 N ATOM 212 CA SER A 18 1.904 -2.918 -10.192 1.00 0.00 C ATOM 213 C SER A 18 1.685 -1.453 -9.826 1.00 0.00 C ATOM 214 O SER A 18 2.566 -0.615 -10.016 1.00 0.00 O ATOM 215 CB SER A 18 1.229 -3.229 -11.529 1.00 0.00 C ATOM 216 OG SER A 18 2.028 -2.796 -12.616 1.00 0.00 O ATOM 0 H SER A 18 0.456 -4.168 -9.332 1.00 0.00 H new ATOM 0 HA SER A 18 2.976 -3.094 -10.285 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.050 -4.301 -11.609 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.256 -2.740 -11.571 1.00 0.00 H new ATOM 0 HG SER A 18 1.576 -3.008 -13.459 1.00 0.00 H new ATOM 222 N LYS A 19 0.502 -1.152 -9.301 1.00 0.00 N ATOM 223 CA LYS A 19 0.164 0.210 -8.906 1.00 0.00 C ATOM 224 C LYS A 19 1.390 0.942 -8.370 1.00 0.00 C ATOM 225 O LYS A 19 2.215 0.376 -7.652 1.00 0.00 O ATOM 226 CB LYS A 19 -0.940 0.197 -7.846 1.00 0.00 C ATOM 227 CG LYS A 19 -2.269 -0.329 -8.359 1.00 0.00 C ATOM 228 CD LYS A 19 -2.870 0.597 -9.403 1.00 0.00 C ATOM 229 CE LYS A 19 -4.232 0.104 -9.867 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.633 0.719 -11.163 1.00 0.00 N ATOM 0 H LYS A 19 -0.239 -1.834 -9.139 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.195 0.739 -9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.617 -0.416 -7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.081 1.210 -7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.127 -1.320 -8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.964 -0.439 -7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.967 1.600 -8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.197 0.669 -10.258 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.209 -0.981 -9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.980 0.336 -9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.566 0.357 -11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.680 1.753 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.933 0.477 -11.893 1.00 0.00 H new ATOM 244 N PRO A 20 1.514 2.229 -8.724 1.00 0.00 N ATOM 245 CA PRO A 20 2.636 3.066 -8.287 1.00 0.00 C ATOM 246 C PRO A 20 2.579 3.380 -6.796 1.00 0.00 C ATOM 247 O PRO A 20 3.612 3.475 -6.132 1.00 0.00 O ATOM 248 CB PRO A 20 2.466 4.345 -9.110 1.00 0.00 C ATOM 249 CG PRO A 20 1.012 4.398 -9.433 1.00 0.00 C ATOM 250 CD PRO A 20 0.569 2.968 -9.577 1.00 0.00 C ATOM 0 HA PRO A 20 3.596 2.571 -8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.778 5.223 -8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.072 4.316 -10.016 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.455 4.902 -8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.836 4.956 -10.353 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.461 2.832 -9.247 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.619 2.635 -10.614 1.00 0.00 H new ATOM 258 N TRP A 21 1.368 3.538 -6.276 1.00 0.00 N ATOM 259 CA TRP A 21 1.177 3.841 -4.862 1.00 0.00 C ATOM 260 C TRP A 21 1.218 2.569 -4.022 1.00 0.00 C ATOM 261 O TRP A 21 0.900 2.588 -2.833 1.00 0.00 O ATOM 262 CB TRP A 21 -0.154 4.564 -4.649 1.00 0.00 C ATOM 263 CG TRP A 21 -1.292 3.950 -5.407 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.838 4.401 -6.575 1.00 0.00 C ATOM 265 CD2 TRP A 21 -2.024 2.773 -5.048 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.865 3.575 -6.963 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.999 2.569 -6.044 1.00 0.00 C ATOM 268 CE3 TRP A 21 -1.950 1.870 -3.984 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.891 1.500 -6.005 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.836 0.811 -3.946 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.796 0.633 -4.951 1.00 0.00 C ATOM 0 H TRP A 21 0.503 3.461 -6.812 1.00 0.00 H new ATOM 0 HA TRP A 21 1.991 4.492 -4.543 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.393 4.564 -3.586 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.046 5.606 -4.951 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.511 5.278 -7.114 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.435 3.692 -7.800 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.213 1.998 -3.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.631 1.361 -6.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.788 0.108 -3.128 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.474 -0.205 -4.892 1.00 0.00 H new ATOM 282 N TYR A 22 1.612 1.465 -4.648 1.00 0.00 N ATOM 283 CA TYR A 22 1.693 0.183 -3.958 1.00 0.00 C ATOM 284 C TYR A 22 3.103 -0.065 -3.432 1.00 0.00 C ATOM 285 O TYR A 22 4.090 0.236 -4.104 1.00 0.00 O ATOM 286 CB TYR A 22 1.279 -0.952 -4.897 1.00 0.00 C ATOM 287 CG TYR A 22 1.571 -2.329 -4.346 1.00 0.00 C ATOM 288 CD1 TYR A 22 0.649 -2.987 -3.541 1.00 0.00 C ATOM 289 CD2 TYR A 22 2.769 -2.973 -4.630 1.00 0.00 C ATOM 290 CE1 TYR A 22 0.911 -4.245 -3.035 1.00 0.00 C ATOM 291 CE2 TYR A 22 3.039 -4.232 -4.130 1.00 0.00 C ATOM 292 CZ TYR A 22 2.108 -4.864 -3.333 1.00 0.00 C ATOM 293 OH TYR A 22 2.374 -6.118 -2.832 1.00 0.00 O ATOM 0 H TYR A 22 1.880 1.432 -5.632 1.00 0.00 H new ATOM 0 HA TYR A 22 1.009 0.212 -3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.212 -0.871 -5.103 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.797 -0.833 -5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.289 -2.506 -3.307 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.502 -2.481 -5.252 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.184 -4.741 -2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.975 -4.719 -4.362 1.00 0.00 H new ATOM 0 HH TYR A 22 3.258 -6.411 -3.137 1.00 0.00 H new ATOM 303 N TYR A 23 3.189 -0.616 -2.227 1.00 0.00 N ATOM 304 CA TYR A 23 4.478 -0.904 -1.608 1.00 0.00 C ATOM 305 C TYR A 23 4.522 -2.334 -1.080 1.00 0.00 C ATOM 306 O TYR A 23 3.563 -2.814 -0.475 1.00 0.00 O ATOM 307 CB TYR A 23 4.752 0.081 -0.470 1.00 0.00 C ATOM 308 CG TYR A 23 5.059 1.484 -0.944 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.303 1.802 -1.474 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.105 2.490 -0.860 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.588 3.083 -1.907 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.381 3.773 -1.292 1.00 0.00 C ATOM 313 CZ TYR A 23 5.624 4.065 -1.815 1.00 0.00 C ATOM 314 OH TYR A 23 5.903 5.342 -2.245 1.00 0.00 O ATOM 0 H TYR A 23 2.382 -0.872 -1.659 1.00 0.00 H new ATOM 0 HA TYR A 23 5.250 -0.794 -2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.885 0.111 0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.591 -0.285 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.060 1.035 -1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.131 2.266 -0.450 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.561 3.314 -2.315 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.628 4.544 -1.221 1.00 0.00 H new ATOM 0 HH TYR A 23 5.080 5.767 -2.564 1.00 0.00 H new ATOM 324 N ASP A 24 5.641 -3.010 -1.314 1.00 0.00 N ATOM 325 CA ASP A 24 5.813 -4.386 -0.860 1.00 0.00 C ATOM 326 C ASP A 24 6.947 -4.486 0.155 1.00 0.00 C ATOM 327 O ASP A 24 6.877 -5.269 1.102 1.00 0.00 O ATOM 328 CB ASP A 24 6.093 -5.306 -2.050 1.00 0.00 C ATOM 329 CG ASP A 24 7.556 -5.308 -2.447 1.00 0.00 C ATOM 330 OD1 ASP A 24 8.012 -4.308 -3.041 1.00 0.00 O ATOM 331 OD2 ASP A 24 8.246 -6.309 -2.164 1.00 0.00 O ATOM 0 H ASP A 24 6.443 -2.628 -1.815 1.00 0.00 H new ATOM 0 HA ASP A 24 4.889 -4.702 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.786 -6.322 -1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.489 -4.990 -2.900 1.00 0.00 H new ATOM 336 N ARG A 25 7.990 -3.688 -0.050 1.00 0.00 N ATOM 337 CA ARG A 25 9.140 -3.689 0.846 1.00 0.00 C ATOM 338 C ARG A 25 9.114 -2.471 1.764 1.00 0.00 C ATOM 339 O ARG A 25 10.137 -2.089 2.335 1.00 0.00 O ATOM 340 CB ARG A 25 10.441 -3.707 0.041 1.00 0.00 C ATOM 341 CG ARG A 25 10.547 -2.578 -0.970 1.00 0.00 C ATOM 342 CD ARG A 25 11.997 -2.231 -1.268 1.00 0.00 C ATOM 343 NE ARG A 25 12.587 -3.141 -2.246 1.00 0.00 N ATOM 344 CZ ARG A 25 13.833 -3.030 -2.695 1.00 0.00 C ATOM 345 NH1 ARG A 25 14.615 -2.055 -2.255 1.00 0.00 N ATOM 346 NH2 ARG A 25 14.298 -3.897 -3.585 1.00 0.00 N ATOM 0 H ARG A 25 8.062 -3.033 -0.828 1.00 0.00 H new ATOM 0 HA ARG A 25 9.089 -4.588 1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.285 -3.648 0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.522 -4.660 -0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.044 -2.866 -1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.032 -1.697 -0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.056 -1.209 -1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.575 -2.266 -0.345 1.00 0.00 H new ATOM 0 HE ARG A 25 12.012 -3.903 -2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.261 -1.387 -1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.571 -1.972 -2.601 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.699 -4.649 -3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.254 -3.811 -3.929 1.00 0.00 H new ATOM 360 N LEU A 26 7.940 -1.865 1.902 1.00 0.00 N ATOM 361 CA LEU A 26 7.781 -0.689 2.751 1.00 0.00 C ATOM 362 C LEU A 26 7.209 -1.073 4.112 1.00 0.00 C ATOM 363 O LEU A 26 6.280 -1.875 4.201 1.00 0.00 O ATOM 364 CB LEU A 26 6.869 0.334 2.072 1.00 0.00 C ATOM 365 CG LEU A 26 6.824 1.722 2.712 1.00 0.00 C ATOM 366 CD1 LEU A 26 7.935 2.602 2.159 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.466 2.370 2.487 1.00 0.00 C ATOM 0 H LEU A 26 7.084 -2.168 1.437 1.00 0.00 H new ATOM 0 HA LEU A 26 8.765 -0.245 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.188 0.444 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.856 -0.068 2.053 1.00 0.00 H new ATOM 0 HG LEU A 26 6.977 1.610 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.887 3.586 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.901 2.146 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.814 2.706 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.453 3.357 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.282 2.468 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.689 1.750 2.933 1.00 0.00 H new ATOM 379 N SER A 27 7.769 -0.494 5.168 1.00 0.00 N ATOM 380 CA SER A 27 7.316 -0.776 6.525 1.00 0.00 C ATOM 381 C SER A 27 6.812 0.493 7.205 1.00 0.00 C ATOM 382 O SER A 27 7.133 1.605 6.785 1.00 0.00 O ATOM 383 CB SER A 27 8.450 -1.393 7.346 1.00 0.00 C ATOM 384 OG SER A 27 8.464 -2.804 7.218 1.00 0.00 O ATOM 0 H SER A 27 8.538 0.174 5.111 1.00 0.00 H new ATOM 0 HA SER A 27 6.492 -1.487 6.466 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.405 -0.985 7.016 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.333 -1.121 8.395 1.00 0.00 H new ATOM 0 HG SER A 27 9.199 -3.174 7.751 1.00 0.00 H new ATOM 390 N ARG A 28 6.021 0.318 8.259 1.00 0.00 N ATOM 391 CA ARG A 28 5.471 1.449 8.997 1.00 0.00 C ATOM 392 C ARG A 28 6.552 2.487 9.286 1.00 0.00 C ATOM 393 O ARG A 28 6.323 3.689 9.154 1.00 0.00 O ATOM 394 CB ARG A 28 4.844 0.972 10.308 1.00 0.00 C ATOM 395 CG ARG A 28 5.808 0.212 11.204 1.00 0.00 C ATOM 396 CD ARG A 28 5.068 -0.655 12.210 1.00 0.00 C ATOM 397 NE ARG A 28 5.951 -1.141 13.267 1.00 0.00 N ATOM 398 CZ ARG A 28 5.524 -1.817 14.329 1.00 0.00 C ATOM 399 NH1 ARG A 28 4.233 -2.084 14.473 1.00 0.00 N ATOM 400 NH2 ARG A 28 6.388 -2.226 15.248 1.00 0.00 N ATOM 0 H ARG A 28 5.747 -0.595 8.621 1.00 0.00 H new ATOM 0 HA ARG A 28 4.701 1.913 8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.460 1.835 10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.991 0.332 10.081 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.459 -0.413 10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.449 0.918 11.732 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.254 -0.082 12.653 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.617 -1.504 11.695 1.00 0.00 H new ATOM 0 HE ARG A 28 6.950 -0.951 13.186 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.566 -1.771 13.768 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.907 -2.603 15.289 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.382 -2.022 15.141 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.059 -2.745 16.062 1.00 0.00 H new ATOM 414 N GLY A 29 7.730 2.014 9.681 1.00 0.00 N ATOM 415 CA GLY A 29 8.827 2.914 9.982 1.00 0.00 C ATOM 416 C GLY A 29 9.063 3.931 8.882 1.00 0.00 C ATOM 417 O GLY A 29 9.401 5.082 9.155 1.00 0.00 O ATOM 0 H GLY A 29 7.944 1.024 9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.619 3.436 10.916 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.737 2.334 10.137 1.00 0.00 H new ATOM 421 N GLU A 30 8.885 3.504 7.636 1.00 0.00 N ATOM 422 CA GLU A 30 9.083 4.385 6.492 1.00 0.00 C ATOM 423 C GLU A 30 7.768 5.038 6.073 1.00 0.00 C ATOM 424 O GLU A 30 7.698 6.252 5.885 1.00 0.00 O ATOM 425 CB GLU A 30 9.675 3.606 5.315 1.00 0.00 C ATOM 426 CG GLU A 30 11.037 3.000 5.611 1.00 0.00 C ATOM 427 CD GLU A 30 11.580 2.193 4.448 1.00 0.00 C ATOM 428 OE1 GLU A 30 11.179 1.020 4.300 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.408 2.735 3.685 1.00 0.00 O ATOM 0 H GLU A 30 8.604 2.554 7.393 1.00 0.00 H new ATOM 0 HA GLU A 30 9.781 5.169 6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.986 2.810 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.761 4.272 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.740 3.796 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.963 2.360 6.490 1.00 0.00 H new ATOM 436 N ALA A 31 6.729 4.222 5.930 1.00 0.00 N ATOM 437 CA ALA A 31 5.416 4.718 5.536 1.00 0.00 C ATOM 438 C ALA A 31 5.107 6.049 6.213 1.00 0.00 C ATOM 439 O ALA A 31 4.991 7.080 5.551 1.00 0.00 O ATOM 440 CB ALA A 31 4.343 3.693 5.868 1.00 0.00 C ATOM 0 H ALA A 31 6.771 3.214 6.081 1.00 0.00 H new ATOM 0 HA ALA A 31 5.425 4.881 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.368 4.077 5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.548 2.766 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.343 3.501 6.941 1.00 0.00 H new ATOM 446 N GLU A 32 4.974 6.018 7.535 1.00 0.00 N ATOM 447 CA GLU A 32 4.676 7.224 8.300 1.00 0.00 C ATOM 448 C GLU A 32 5.542 8.391 7.835 1.00 0.00 C ATOM 449 O GLU A 32 5.033 9.394 7.335 1.00 0.00 O ATOM 450 CB GLU A 32 4.897 6.974 9.794 1.00 0.00 C ATOM 451 CG GLU A 32 3.888 6.018 10.407 1.00 0.00 C ATOM 452 CD GLU A 32 4.341 5.472 11.747 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.143 6.148 12.423 1.00 0.00 O ATOM 454 OE2 GLU A 32 3.892 4.367 12.119 1.00 0.00 O ATOM 0 H GLU A 32 5.068 5.173 8.098 1.00 0.00 H new ATOM 0 HA GLU A 32 3.630 7.481 8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.900 6.574 9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.851 7.926 10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.935 6.532 10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.715 5.189 9.721 1.00 0.00 H new ATOM 461 N ASP A 33 6.852 8.252 8.004 1.00 0.00 N ATOM 462 CA ASP A 33 7.789 9.295 7.602 1.00 0.00 C ATOM 463 C ASP A 33 7.361 9.930 6.283 1.00 0.00 C ATOM 464 O ASP A 33 7.192 11.146 6.195 1.00 0.00 O ATOM 465 CB ASP A 33 9.200 8.718 7.470 1.00 0.00 C ATOM 466 CG ASP A 33 10.275 9.749 7.756 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.986 10.720 8.485 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.405 9.584 7.249 1.00 0.00 O ATOM 0 H ASP A 33 7.289 7.428 8.416 1.00 0.00 H new ATOM 0 HA ASP A 33 7.790 10.066 8.373 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.313 7.879 8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.336 8.325 6.463 1.00 0.00 H new ATOM 473 N MET A 34 7.190 9.100 5.259 1.00 0.00 N ATOM 474 CA MET A 34 6.781 9.581 3.945 1.00 0.00 C ATOM 475 C MET A 34 5.631 10.576 4.063 1.00 0.00 C ATOM 476 O MET A 34 5.779 11.754 3.733 1.00 0.00 O ATOM 477 CB MET A 34 6.367 8.409 3.054 1.00 0.00 C ATOM 478 CG MET A 34 7.486 7.412 2.802 1.00 0.00 C ATOM 479 SD MET A 34 6.875 5.744 2.491 1.00 0.00 S ATOM 480 CE MET A 34 6.035 5.979 0.926 1.00 0.00 C ATOM 0 H MET A 34 7.328 8.091 5.314 1.00 0.00 H new ATOM 0 HA MET A 34 7.632 10.089 3.492 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.527 7.891 3.517 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.015 8.797 2.098 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.077 7.743 1.948 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.153 7.395 3.664 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.373 5.134 0.738 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.450 6.898 0.962 1.00 0.00 H new ATOM 0 HE3 MET A 34 6.771 6.049 0.125 1.00 0.00 H new ATOM 490 N LEU A 35 4.486 10.096 4.536 1.00 0.00 N ATOM 491 CA LEU A 35 3.310 10.944 4.698 1.00 0.00 C ATOM 492 C LEU A 35 3.681 12.270 5.354 1.00 0.00 C ATOM 493 O LEU A 35 3.244 13.334 4.916 1.00 0.00 O ATOM 494 CB LEU A 35 2.251 10.226 5.537 1.00 0.00 C ATOM 495 CG LEU A 35 1.270 9.343 4.765 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.576 10.144 3.674 1.00 0.00 C ATOM 497 CD2 LEU A 35 1.988 8.140 4.172 1.00 0.00 C ATOM 0 H LEU A 35 4.347 9.125 4.814 1.00 0.00 H new ATOM 0 HA LEU A 35 2.902 11.151 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.760 9.609 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.680 10.976 6.085 1.00 0.00 H new ATOM 0 HG LEU A 35 0.512 8.982 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.118 9.499 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.028 10.972 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.320 10.535 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.274 7.523 3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.768 8.481 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.437 7.553 4.973 1.00 0.00 H new ATOM 509 N MET A 36 4.491 12.199 6.405 1.00 0.00 N ATOM 510 CA MET A 36 4.923 13.394 7.119 1.00 0.00 C ATOM 511 C MET A 36 5.671 14.343 6.188 1.00 0.00 C ATOM 512 O MET A 36 5.535 15.562 6.288 1.00 0.00 O ATOM 513 CB MET A 36 5.816 13.014 8.302 1.00 0.00 C ATOM 514 CG MET A 36 5.234 11.910 9.172 1.00 0.00 C ATOM 515 SD MET A 36 5.739 12.047 10.897 1.00 0.00 S ATOM 516 CE MET A 36 4.268 11.453 11.728 1.00 0.00 C ATOM 0 H MET A 36 4.861 11.326 6.781 1.00 0.00 H new ATOM 0 HA MET A 36 4.035 13.904 7.493 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.788 12.695 7.925 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.987 13.898 8.917 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.146 11.941 9.112 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.547 10.942 8.782 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.424 11.477 12.806 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.422 12.090 11.470 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.061 10.430 11.414 1.00 0.00 H new ATOM 526 N ARG A 37 6.462 13.775 5.283 1.00 0.00 N ATOM 527 CA ARG A 37 7.232 14.571 4.335 1.00 0.00 C ATOM 528 C ARG A 37 6.314 15.254 3.326 1.00 0.00 C ATOM 529 O ARG A 37 6.431 16.455 3.079 1.00 0.00 O ATOM 530 CB ARG A 37 8.247 13.691 3.603 1.00 0.00 C ATOM 531 CG ARG A 37 9.503 13.408 4.411 1.00 0.00 C ATOM 532 CD ARG A 37 10.226 12.171 3.902 1.00 0.00 C ATOM 533 NE ARG A 37 11.616 12.127 4.349 1.00 0.00 N ATOM 534 CZ ARG A 37 12.559 11.411 3.747 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.263 10.682 2.679 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.801 11.422 4.213 1.00 0.00 N ATOM 0 H ARG A 37 6.586 12.767 5.187 1.00 0.00 H new ATOM 0 HA ARG A 37 7.765 15.340 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.773 12.745 3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.528 14.176 2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.171 14.268 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.239 13.271 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.705 11.278 4.249 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.195 12.155 2.813 1.00 0.00 H new ATOM 0 HE ARG A 37 11.877 12.676 5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.309 10.670 2.318 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.989 10.133 2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.033 11.981 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.524 10.872 3.750 1.00 0.00 H new ATOM 550 N ILE A 38 5.402 14.481 2.745 1.00 0.00 N ATOM 551 CA ILE A 38 4.464 15.012 1.764 1.00 0.00 C ATOM 552 C ILE A 38 3.774 16.268 2.286 1.00 0.00 C ATOM 553 O ILE A 38 2.901 16.211 3.152 1.00 0.00 O ATOM 554 CB ILE A 38 3.394 13.971 1.387 1.00 0.00 C ATOM 555 CG1 ILE A 38 4.051 12.626 1.068 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.573 14.460 0.204 1.00 0.00 C ATOM 557 CD1 ILE A 38 5.105 12.710 -0.014 1.00 0.00 C ATOM 0 H ILE A 38 5.293 13.485 2.937 1.00 0.00 H new ATOM 0 HA ILE A 38 5.045 15.262 0.876 1.00 0.00 H new ATOM 0 HB ILE A 38 2.725 13.835 2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.505 12.228 1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.281 11.919 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.821 13.713 -0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.080 15.397 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.228 14.621 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.528 11.720 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.653 13.078 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.895 13.392 0.300 1.00 0.00 H new ATOM 569 N PRO A 39 4.172 17.429 1.747 1.00 0.00 N ATOM 570 CA PRO A 39 3.603 18.721 2.142 1.00 0.00 C ATOM 571 C PRO A 39 2.161 18.886 1.675 1.00 0.00 C ATOM 572 O PRO A 39 1.581 19.966 1.790 1.00 0.00 O ATOM 573 CB PRO A 39 4.510 19.737 1.443 1.00 0.00 C ATOM 574 CG PRO A 39 5.070 19.004 0.274 1.00 0.00 C ATOM 575 CD PRO A 39 5.208 17.571 0.710 1.00 0.00 C ATOM 0 HA PRO A 39 3.566 18.836 3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.949 20.617 1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.301 20.085 2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.411 19.087 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.035 19.417 -0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.045 16.881 -0.118 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.203 17.365 1.105 1.00 0.00 H new ATOM 583 N ARG A 40 1.587 17.809 1.149 1.00 0.00 N ATOM 584 CA ARG A 40 0.212 17.836 0.664 1.00 0.00 C ATOM 585 C ARG A 40 -0.774 17.707 1.820 1.00 0.00 C ATOM 586 O ARG A 40 -0.378 17.650 2.985 1.00 0.00 O ATOM 587 CB ARG A 40 -0.017 16.708 -0.344 1.00 0.00 C ATOM 588 CG ARG A 40 0.810 16.847 -1.612 1.00 0.00 C ATOM 589 CD ARG A 40 0.137 17.767 -2.618 1.00 0.00 C ATOM 590 NE ARG A 40 0.511 19.164 -2.418 1.00 0.00 N ATOM 591 CZ ARG A 40 0.283 20.121 -3.311 1.00 0.00 C ATOM 592 NH1 ARG A 40 -0.315 19.833 -4.458 1.00 0.00 N ATOM 593 NH2 ARG A 40 0.654 21.370 -3.056 1.00 0.00 N ATOM 0 H ARG A 40 2.052 16.907 1.048 1.00 0.00 H new ATOM 0 HA ARG A 40 0.045 18.794 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.218 15.755 0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.073 16.679 -0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.797 17.238 -1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.960 15.864 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.409 17.460 -3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.945 17.666 -2.534 1.00 0.00 H new ATOM 0 HE ARG A 40 0.973 19.419 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.602 18.875 -4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.489 20.570 -5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.114 21.595 -2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.479 22.104 -3.742 1.00 0.00 H new ATOM 607 N ASP A 41 -2.061 17.663 1.492 1.00 0.00 N ATOM 608 CA ASP A 41 -3.105 17.540 2.502 1.00 0.00 C ATOM 609 C ASP A 41 -4.143 16.502 2.089 1.00 0.00 C ATOM 610 O ASP A 41 -5.136 16.827 1.439 1.00 0.00 O ATOM 611 CB ASP A 41 -3.781 18.892 2.734 1.00 0.00 C ATOM 612 CG ASP A 41 -3.981 19.668 1.446 1.00 0.00 C ATOM 613 OD1 ASP A 41 -4.169 19.027 0.391 1.00 0.00 O ATOM 614 OD2 ASP A 41 -3.949 20.915 1.493 1.00 0.00 O ATOM 0 H ASP A 41 -2.406 17.711 0.533 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.640 17.211 3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.747 18.734 3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.177 19.484 3.421 1.00 0.00 H new ATOM 619 N GLY A 42 -3.905 15.250 2.469 1.00 0.00 N ATOM 620 CA GLY A 42 -4.828 14.184 2.128 1.00 0.00 C ATOM 621 C GLY A 42 -4.174 13.095 1.299 1.00 0.00 C ATOM 622 O GLY A 42 -4.768 12.590 0.347 1.00 0.00 O ATOM 0 H GLY A 42 -3.090 14.956 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.230 13.748 3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.671 14.600 1.576 1.00 0.00 H new ATOM 626 N ALA A 43 -2.948 12.734 1.661 1.00 0.00 N ATOM 627 CA ALA A 43 -2.213 11.699 0.945 1.00 0.00 C ATOM 628 C ALA A 43 -2.639 10.308 1.402 1.00 0.00 C ATOM 629 O ALA A 43 -3.432 10.165 2.333 1.00 0.00 O ATOM 630 CB ALA A 43 -0.716 11.885 1.137 1.00 0.00 C ATOM 0 H ALA A 43 -2.442 13.143 2.447 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.445 11.791 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.180 11.105 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.419 12.861 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.475 11.822 2.198 1.00 0.00 H new ATOM 636 N PHE A 44 -2.108 9.284 0.741 1.00 0.00 N ATOM 637 CA PHE A 44 -2.434 7.904 1.078 1.00 0.00 C ATOM 638 C PHE A 44 -1.443 6.938 0.436 1.00 0.00 C ATOM 639 O PHE A 44 -0.758 7.283 -0.528 1.00 0.00 O ATOM 640 CB PHE A 44 -3.857 7.569 0.626 1.00 0.00 C ATOM 641 CG PHE A 44 -3.945 7.145 -0.812 1.00 0.00 C ATOM 642 CD1 PHE A 44 -3.563 5.870 -1.197 1.00 0.00 C ATOM 643 CD2 PHE A 44 -4.408 8.023 -1.779 1.00 0.00 C ATOM 644 CE1 PHE A 44 -3.643 5.477 -2.520 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.490 7.636 -3.103 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.107 6.362 -3.475 1.00 0.00 C ATOM 0 H PHE A 44 -1.450 9.385 -0.032 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.369 7.796 2.161 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.252 6.772 1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.493 8.441 0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.199 5.175 -0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.708 9.021 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.343 4.480 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.853 8.330 -3.847 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.170 6.058 -4.509 1.00 0.00 H new ATOM 656 N LEU A 45 -1.372 5.726 0.976 1.00 0.00 N ATOM 657 CA LEU A 45 -0.465 4.709 0.457 1.00 0.00 C ATOM 658 C LEU A 45 -0.756 3.349 1.084 1.00 0.00 C ATOM 659 O LEU A 45 -1.002 3.249 2.286 1.00 0.00 O ATOM 660 CB LEU A 45 0.987 5.107 0.726 1.00 0.00 C ATOM 661 CG LEU A 45 1.584 4.618 2.046 1.00 0.00 C ATOM 662 CD1 LEU A 45 1.970 3.150 1.946 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.788 5.463 2.433 1.00 0.00 C ATOM 0 H LEU A 45 -1.932 5.424 1.773 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.621 4.633 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.603 4.730 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.055 6.195 0.700 1.00 0.00 H new ATOM 0 HG LEU A 45 0.828 4.721 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.393 2.820 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.085 2.556 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.709 3.021 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.200 5.100 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.547 5.393 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.481 6.503 2.548 1.00 0.00 H new ATOM 675 N ILE A 46 -0.724 2.306 0.262 1.00 0.00 N ATOM 676 CA ILE A 46 -0.981 0.952 0.736 1.00 0.00 C ATOM 677 C ILE A 46 0.316 0.162 0.874 1.00 0.00 C ATOM 678 O ILE A 46 0.927 -0.227 -0.121 1.00 0.00 O ATOM 679 CB ILE A 46 -1.932 0.194 -0.210 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.322 0.833 -0.190 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.011 -1.273 0.183 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.332 0.109 -1.052 1.00 0.00 C ATOM 0 H ILE A 46 -0.523 2.373 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.453 1.045 1.714 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.539 0.257 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.686 0.860 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.243 1.866 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.687 -1.795 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.019 -1.720 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.384 -1.357 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.294 0.617 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.990 0.105 -2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.440 -0.917 -0.701 1.00 0.00 H new ATOM 694 N ARG A 47 0.730 -0.073 2.115 1.00 0.00 N ATOM 695 CA ARG A 47 1.955 -0.817 2.384 1.00 0.00 C ATOM 696 C ARG A 47 1.642 -2.263 2.758 1.00 0.00 C ATOM 697 O ARG A 47 0.602 -2.551 3.352 1.00 0.00 O ATOM 698 CB ARG A 47 2.747 -0.148 3.509 1.00 0.00 C ATOM 699 CG ARG A 47 2.150 -0.369 4.889 1.00 0.00 C ATOM 700 CD ARG A 47 3.084 0.121 5.985 1.00 0.00 C ATOM 701 NE ARG A 47 2.362 0.462 7.207 1.00 0.00 N ATOM 702 CZ ARG A 47 1.843 -0.441 8.031 1.00 0.00 C ATOM 703 NH1 ARG A 47 1.967 -1.734 7.765 1.00 0.00 N ATOM 704 NH2 ARG A 47 1.199 -0.052 9.124 1.00 0.00 N ATOM 0 H ARG A 47 0.235 0.241 2.950 1.00 0.00 H new ATOM 0 HA ARG A 47 2.557 -0.817 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.768 -0.529 3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.804 0.923 3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.196 0.153 4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.944 -1.430 5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.823 -0.650 6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.631 0.995 5.631 1.00 0.00 H new ATOM 0 HE ARG A 47 2.250 1.448 7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.462 -2.037 6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.568 -2.426 8.399 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.102 0.942 9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.801 -0.747 9.756 1.00 0.00 H new ATOM 718 N LYS A 48 2.547 -3.169 2.406 1.00 0.00 N ATOM 719 CA LYS A 48 2.370 -4.585 2.705 1.00 0.00 C ATOM 720 C LYS A 48 2.833 -4.904 4.123 1.00 0.00 C ATOM 721 O LYS A 48 3.951 -4.565 4.511 1.00 0.00 O ATOM 722 CB LYS A 48 3.143 -5.440 1.699 1.00 0.00 C ATOM 723 CG LYS A 48 2.994 -6.934 1.930 1.00 0.00 C ATOM 724 CD LYS A 48 4.187 -7.704 1.387 1.00 0.00 C ATOM 725 CE LYS A 48 3.786 -9.094 0.918 1.00 0.00 C ATOM 726 NZ LYS A 48 3.903 -10.103 2.008 1.00 0.00 N ATOM 0 H LYS A 48 3.412 -2.948 1.913 1.00 0.00 H new ATOM 0 HA LYS A 48 1.308 -4.817 2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.801 -5.200 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.200 -5.177 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.889 -7.129 2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.082 -7.288 1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.630 -7.153 0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.951 -7.786 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.759 -9.072 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.416 -9.390 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.621 -11.037 1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.888 -10.143 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.282 -9.834 2.798 1.00 0.00 H new ATOM 740 N ARG A 49 1.968 -5.559 4.890 1.00 0.00 N ATOM 741 CA ARG A 49 2.290 -5.925 6.264 1.00 0.00 C ATOM 742 C ARG A 49 2.603 -7.414 6.372 1.00 0.00 C ATOM 743 O ARG A 49 1.713 -8.228 6.616 1.00 0.00 O ATOM 744 CB ARG A 49 1.129 -5.568 7.194 1.00 0.00 C ATOM 745 CG ARG A 49 1.565 -5.226 8.610 1.00 0.00 C ATOM 746 CD ARG A 49 0.378 -5.156 9.557 1.00 0.00 C ATOM 747 NE ARG A 49 0.094 -6.448 10.176 1.00 0.00 N ATOM 748 CZ ARG A 49 -0.580 -6.586 11.312 1.00 0.00 C ATOM 749 NH1 ARG A 49 -1.038 -5.518 11.950 1.00 0.00 N ATOM 750 NH2 ARG A 49 -0.798 -7.796 11.812 1.00 0.00 N ATOM 0 H ARG A 49 1.039 -5.847 4.583 1.00 0.00 H new ATOM 0 HA ARG A 49 3.174 -5.364 6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.587 -4.720 6.775 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.433 -6.406 7.230 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.272 -5.976 8.965 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.088 -4.270 8.610 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.577 -4.418 10.334 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.501 -4.815 9.011 1.00 0.00 H new ATOM 0 HE ARG A 49 0.432 -7.290 9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.873 -4.586 11.569 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.555 -5.628 12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.448 -8.620 11.324 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.316 -7.902 12.685 1.00 0.00 H new ATOM 812 N SER A 54 -2.853 -9.899 5.591 1.00 0.00 N ATOM 813 CA SER A 54 -3.611 -8.654 5.553 1.00 0.00 C ATOM 814 C SER A 54 -2.711 -7.481 5.178 1.00 0.00 C ATOM 815 O SER A 54 -1.485 -7.590 5.209 1.00 0.00 O ATOM 816 CB SER A 54 -4.272 -8.392 6.908 1.00 0.00 C ATOM 817 OG SER A 54 -5.525 -9.047 6.999 1.00 0.00 O ATOM 0 HA SER A 54 -4.386 -8.753 4.792 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.618 -8.738 7.708 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.408 -7.320 7.049 1.00 0.00 H new ATOM 0 HG SER A 54 -5.926 -8.865 7.874 1.00 0.00 H new ATOM 823 N TYR A 55 -3.328 -6.359 4.823 1.00 0.00 N ATOM 824 CA TYR A 55 -2.583 -5.166 4.439 1.00 0.00 C ATOM 825 C TYR A 55 -3.015 -3.963 5.273 1.00 0.00 C ATOM 826 O TYR A 55 -4.085 -3.967 5.880 1.00 0.00 O ATOM 827 CB TYR A 55 -2.785 -4.869 2.952 1.00 0.00 C ATOM 828 CG TYR A 55 -2.318 -5.984 2.044 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.109 -7.104 1.822 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.085 -5.916 1.407 1.00 0.00 C ATOM 831 CE1 TYR A 55 -2.686 -8.125 0.993 1.00 0.00 C ATOM 832 CE2 TYR A 55 -0.654 -6.932 0.575 1.00 0.00 C ATOM 833 CZ TYR A 55 -1.458 -8.034 0.372 1.00 0.00 C ATOM 834 OH TYR A 55 -1.033 -9.049 -0.455 1.00 0.00 O ATOM 0 H TYR A 55 -4.342 -6.251 4.793 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.525 -5.353 4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.843 -4.681 2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.249 -3.955 2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.072 -7.178 2.306 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.453 -5.055 1.565 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.313 -8.989 0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.307 -6.863 0.087 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.148 -8.829 -0.814 1.00 0.00 H new ATOM 844 N ALA A 56 -2.174 -2.934 5.295 1.00 0.00 N ATOM 845 CA ALA A 56 -2.469 -1.723 6.050 1.00 0.00 C ATOM 846 C ALA A 56 -2.177 -0.475 5.223 1.00 0.00 C ATOM 847 O ALA A 56 -1.112 -0.356 4.617 1.00 0.00 O ATOM 848 CB ALA A 56 -1.668 -1.700 7.344 1.00 0.00 C ATOM 0 H ALA A 56 -1.283 -2.915 4.799 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.532 -1.726 6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.898 -0.790 7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.929 -2.569 7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.603 -1.725 7.113 1.00 0.00 H new ATOM 854 N ILE A 57 -3.130 0.450 5.201 1.00 0.00 N ATOM 855 CA ILE A 57 -2.975 1.689 4.448 1.00 0.00 C ATOM 856 C ILE A 57 -2.681 2.863 5.376 1.00 0.00 C ATOM 857 O ILE A 57 -3.178 2.920 6.501 1.00 0.00 O ATOM 858 CB ILE A 57 -4.234 2.006 3.620 1.00 0.00 C ATOM 859 CG1 ILE A 57 -3.993 3.231 2.735 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.427 2.233 4.536 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.202 3.635 1.921 1.00 0.00 C ATOM 0 H ILE A 57 -4.018 0.365 5.696 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.133 1.544 3.772 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.453 1.154 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.691 4.069 3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.163 3.024 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.309 2.456 3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.608 1.335 5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.220 3.071 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.959 4.510 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.492 2.812 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.028 3.874 2.591 1.00 0.00 H new ATOM 873 N THR A 58 -1.869 3.801 4.896 1.00 0.00 N ATOM 874 CA THR A 58 -1.509 4.974 5.681 1.00 0.00 C ATOM 875 C THR A 58 -1.783 6.259 4.907 1.00 0.00 C ATOM 876 O THR A 58 -1.556 6.327 3.698 1.00 0.00 O ATOM 877 CB THR A 58 -0.025 4.942 6.091 1.00 0.00 C ATOM 878 OG1 THR A 58 0.271 3.713 6.764 1.00 0.00 O ATOM 879 CG2 THR A 58 0.311 6.116 6.998 1.00 0.00 C ATOM 0 H THR A 58 -1.449 3.770 3.967 1.00 0.00 H new ATOM 0 HA THR A 58 -2.127 4.955 6.579 1.00 0.00 H new ATOM 0 HB THR A 58 0.580 5.016 5.188 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.217 3.700 7.020 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.364 6.072 7.275 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.112 7.050 6.473 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.303 6.068 7.898 1.00 0.00 H new ATOM 887 N PHE A 59 -2.272 7.275 5.609 1.00 0.00 N ATOM 888 CA PHE A 59 -2.577 8.558 4.987 1.00 0.00 C ATOM 889 C PHE A 59 -2.256 9.711 5.934 1.00 0.00 C ATOM 890 O PHE A 59 -2.053 9.508 7.131 1.00 0.00 O ATOM 891 CB PHE A 59 -4.050 8.614 4.579 1.00 0.00 C ATOM 892 CG PHE A 59 -4.955 7.836 5.492 1.00 0.00 C ATOM 893 CD1 PHE A 59 -5.037 6.456 5.397 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.723 8.485 6.445 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.869 5.739 6.235 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.556 7.772 7.287 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.629 6.397 7.182 1.00 0.00 C ATOM 0 H PHE A 59 -2.466 7.235 6.610 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.957 8.658 4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.374 9.655 4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.153 8.229 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.444 5.935 4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.670 9.560 6.531 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.925 4.664 6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.149 8.290 8.026 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.279 5.838 7.839 1.00 0.00 H new ATOM 907 N ARG A 60 -2.210 10.922 5.387 1.00 0.00 N ATOM 908 CA ARG A 60 -1.912 12.108 6.181 1.00 0.00 C ATOM 909 C ARG A 60 -3.162 12.960 6.376 1.00 0.00 C ATOM 910 O ARG A 60 -3.755 13.440 5.410 1.00 0.00 O ATOM 911 CB ARG A 60 -0.817 12.937 5.507 1.00 0.00 C ATOM 912 CG ARG A 60 -0.485 14.223 6.246 1.00 0.00 C ATOM 913 CD ARG A 60 0.186 15.234 5.330 1.00 0.00 C ATOM 914 NE ARG A 60 -0.578 15.455 4.105 1.00 0.00 N ATOM 915 CZ ARG A 60 -0.362 14.791 2.975 1.00 0.00 C ATOM 916 NH1 ARG A 60 0.590 13.871 2.914 1.00 0.00 N ATOM 917 NH2 ARG A 60 -1.099 15.048 1.902 1.00 0.00 N ATOM 0 H ARG A 60 -2.375 11.107 4.398 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.560 11.780 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.086 12.332 5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.131 13.182 4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.398 14.653 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.171 14.001 7.088 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.304 16.180 5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.186 14.884 5.075 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.318 16.157 4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.159 13.671 3.736 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.753 13.363 2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.832 15.756 1.944 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.932 14.538 1.035 1.00 0.00 H new ATOM 931 N ALA A 61 -3.558 13.143 7.632 1.00 0.00 N ATOM 932 CA ALA A 61 -4.736 13.938 7.953 1.00 0.00 C ATOM 933 C ALA A 61 -4.356 15.193 8.733 1.00 0.00 C ATOM 934 O ALA A 61 -3.998 15.119 9.908 1.00 0.00 O ATOM 935 CB ALA A 61 -5.735 13.106 8.743 1.00 0.00 C ATOM 0 H ALA A 61 -3.080 12.751 8.443 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.199 14.250 7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.610 13.713 8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.039 12.243 8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.273 12.765 9.669 1.00 0.00 H new ATOM 941 N ARG A 62 -4.437 16.342 8.071 1.00 0.00 N ATOM 942 CA ARG A 62 -4.099 17.612 8.702 1.00 0.00 C ATOM 943 C ARG A 62 -2.739 17.534 9.388 1.00 0.00 C ATOM 944 O ARG A 62 -2.573 17.999 10.515 1.00 0.00 O ATOM 945 CB ARG A 62 -5.174 18.002 9.719 1.00 0.00 C ATOM 946 CG ARG A 62 -6.447 18.539 9.084 1.00 0.00 C ATOM 947 CD ARG A 62 -7.406 17.415 8.725 1.00 0.00 C ATOM 948 NE ARG A 62 -8.675 17.923 8.210 1.00 0.00 N ATOM 949 CZ ARG A 62 -8.831 18.399 6.980 1.00 0.00 C ATOM 950 NH1 ARG A 62 -7.803 18.433 6.143 1.00 0.00 N ATOM 951 NH2 ARG A 62 -10.017 18.843 6.585 1.00 0.00 N ATOM 0 H ARG A 62 -4.734 16.420 7.098 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.050 18.374 7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.420 17.131 10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.768 18.756 10.393 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.935 19.230 9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.197 19.106 8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.944 16.769 7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.592 16.801 9.607 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.486 17.912 8.829 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.889 18.093 6.443 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.926 18.799 5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.810 18.819 7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.136 19.208 5.640 1.00 0.00 H new ATOM 965 N GLY A 63 -1.768 16.941 8.700 1.00 0.00 N ATOM 966 CA GLY A 63 -0.435 16.812 9.259 1.00 0.00 C ATOM 967 C GLY A 63 -0.211 15.465 9.919 1.00 0.00 C ATOM 968 O GLY A 63 0.827 14.833 9.721 1.00 0.00 O ATOM 0 H GLY A 63 -1.881 16.548 7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.302 16.953 8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.273 17.603 9.991 1.00 0.00 H new ATOM 972 N LYS A 64 -1.186 15.025 10.707 1.00 0.00 N ATOM 973 CA LYS A 64 -1.092 13.746 11.400 1.00 0.00 C ATOM 974 C LYS A 64 -1.092 12.588 10.407 1.00 0.00 C ATOM 975 O LYS A 64 -1.317 12.782 9.212 1.00 0.00 O ATOM 976 CB LYS A 64 -2.253 13.588 12.384 1.00 0.00 C ATOM 977 CG LYS A 64 -2.095 14.414 13.649 1.00 0.00 C ATOM 978 CD LYS A 64 -1.197 13.720 14.659 1.00 0.00 C ATOM 979 CE LYS A 64 -1.375 14.301 16.054 1.00 0.00 C ATOM 980 NZ LYS A 64 -2.469 13.622 16.802 1.00 0.00 N ATOM 0 H LYS A 64 -2.051 15.536 10.882 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.152 13.729 11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.180 13.873 11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.347 12.537 12.656 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.677 15.389 13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.074 14.592 14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.423 12.654 14.676 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.156 13.821 14.352 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.442 14.205 16.609 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.593 15.366 15.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.559 14.046 17.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.365 13.735 16.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.249 12.610 16.896 1.00 0.00 H new ATOM 994 N VAL A 65 -0.841 11.383 10.908 1.00 0.00 N ATOM 995 CA VAL A 65 -0.815 10.194 10.066 1.00 0.00 C ATOM 996 C VAL A 65 -1.636 9.066 10.681 1.00 0.00 C ATOM 997 O VAL A 65 -1.317 8.570 11.762 1.00 0.00 O ATOM 998 CB VAL A 65 0.625 9.700 9.836 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.628 8.432 8.996 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.463 10.786 9.179 1.00 0.00 C ATOM 0 H VAL A 65 -0.653 11.205 11.894 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.252 10.476 9.108 1.00 0.00 H new ATOM 0 HB VAL A 65 1.068 9.467 10.804 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.655 8.098 8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.066 7.653 9.511 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.166 8.635 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.478 10.419 9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.023 11.054 8.218 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.489 11.665 9.823 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.695 8.665 9.986 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.562 7.594 10.462 1.00 0.00 C ATOM 1012 C LYS A 66 -3.217 6.272 9.782 1.00 0.00 C ATOM 1013 O LYS A 66 -2.289 6.200 8.977 1.00 0.00 O ATOM 1014 CB LYS A 66 -5.029 7.945 10.203 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.599 8.946 11.194 1.00 0.00 C ATOM 1016 CD LYS A 66 -6.230 8.250 12.389 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.219 8.029 13.503 1.00 0.00 C ATOM 1018 NZ LYS A 66 -4.532 6.714 13.377 1.00 0.00 N ATOM 0 H LYS A 66 -2.974 9.066 9.090 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.405 7.483 11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.125 8.349 9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.624 7.032 10.238 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.807 9.612 11.536 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.345 9.567 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.060 8.849 12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.644 7.291 12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.478 8.829 13.485 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.724 8.084 14.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.848 6.082 14.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.763 6.288 12.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.503 6.852 13.446 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.972 5.228 10.112 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.747 3.909 9.531 1.00 0.00 C ATOM 1034 C HIS A 67 -5.014 3.063 9.599 1.00 0.00 C ATOM 1035 O HIS A 67 -5.731 3.080 10.601 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.605 3.198 10.257 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.421 4.078 10.519 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -1.264 5.119 11.369 1.00 0.00 N flip ATOM 1039 CD2 HIS A 67 -0.216 3.933 9.865 1.00 0.00 C flip ATOM 1040 CE1 HIS A 67 0.021 5.579 11.216 1.00 0.00 C flip ATOM 1041 NE2 HIS A 67 0.632 4.846 10.303 1.00 0.00 N flip ATOM 0 H HIS A 67 -4.744 5.270 10.778 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.475 4.041 8.484 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.975 2.809 11.206 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.286 2.341 9.664 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.969 5.492 12.005 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.001 3.189 9.112 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.460 6.406 11.755 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.285 2.324 8.529 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.467 1.472 8.466 1.00 0.00 C ATOM 1052 C CYS A 68 -6.099 0.065 8.005 1.00 0.00 C ATOM 1053 O CYS A 68 -5.452 -0.111 6.972 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.507 2.076 7.522 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.169 1.390 7.719 1.00 0.00 S ATOM 0 H CYS A 68 -4.702 2.298 7.693 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.892 1.407 9.468 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.548 3.153 7.685 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.181 1.922 6.493 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.978 1.965 6.879 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.515 -0.933 8.778 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.227 -2.324 8.450 1.00 0.00 C ATOM 1063 C ARG A 69 -7.104 -2.804 7.298 1.00 0.00 C ATOM 1064 O ARG A 69 -8.221 -2.319 7.111 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.443 -3.214 9.675 1.00 0.00 C ATOM 1066 CG ARG A 69 -6.150 -4.683 9.420 1.00 0.00 C ATOM 1067 CD ARG A 69 -5.670 -5.383 10.681 1.00 0.00 C ATOM 1068 NE ARG A 69 -6.628 -5.255 11.777 1.00 0.00 N ATOM 1069 CZ ARG A 69 -6.308 -5.419 13.055 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -5.062 -5.717 13.398 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -7.236 -5.286 13.995 1.00 0.00 N ATOM 0 H ARG A 69 -7.052 -0.804 9.635 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.184 -2.390 8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.807 -2.861 10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.475 -3.111 10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.049 -5.175 9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.393 -4.774 8.641 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.502 -6.439 10.468 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.712 -4.963 10.986 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.595 -5.027 11.548 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.346 -5.821 12.679 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.820 -5.842 14.381 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.196 -5.058 13.736 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.989 -5.412 14.977 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.592 -3.758 6.528 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.329 -4.303 5.395 1.00 0.00 C ATOM 1087 C ILE A 70 -7.401 -5.824 5.467 1.00 0.00 C ATOM 1088 O ILE A 70 -6.429 -6.517 5.169 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.687 -3.893 4.056 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.561 -2.371 3.971 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.506 -4.429 2.891 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.472 -1.907 3.029 1.00 0.00 C ATOM 0 H ILE A 70 -5.669 -4.170 6.668 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.337 -3.891 5.446 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.688 -4.324 4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.514 -1.953 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.362 -1.975 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.040 -4.131 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.549 -5.517 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.517 -4.023 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.440 -0.818 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.511 -2.295 3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.680 -2.273 2.024 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.561 -6.338 5.862 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.761 -7.779 5.972 1.00 0.00 C ATOM 1106 C ASN A 71 -9.017 -8.398 4.601 1.00 0.00 C ATOM 1107 O ASN A 71 -9.123 -7.691 3.599 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.933 -8.082 6.907 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.885 -9.495 7.455 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -10.602 -10.380 6.985 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -9.038 -9.714 8.454 1.00 0.00 N ATOM 0 H ASN A 71 -9.377 -5.779 6.111 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.852 -8.217 6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.926 -7.374 7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.870 -7.935 6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.962 -10.645 8.863 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.463 -8.951 8.812 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.115 -9.723 4.566 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.357 -10.438 3.319 1.00 0.00 C ATOM 1120 C ARG A 72 -10.297 -11.619 3.543 1.00 0.00 C ATOM 1121 O ARG A 72 -10.020 -12.500 4.357 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.037 -10.930 2.723 1.00 0.00 C ATOM 1123 CG ARG A 72 -8.068 -11.077 1.211 1.00 0.00 C ATOM 1124 CD ARG A 72 -6.676 -10.956 0.610 1.00 0.00 C ATOM 1125 NE ARG A 72 -6.558 -11.685 -0.650 1.00 0.00 N ATOM 1126 CZ ARG A 72 -6.571 -13.011 -0.735 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -6.696 -13.748 0.360 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -6.459 -13.602 -1.918 1.00 0.00 N ATOM 0 H ARG A 72 -9.031 -10.323 5.387 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.828 -9.747 2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.244 -10.234 2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.784 -11.892 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.496 -12.044 0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.718 -10.313 0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.443 -9.904 0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.941 -11.337 1.319 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.460 -11.147 -1.511 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.783 -13.297 1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.706 -14.766 0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.363 -13.038 -2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.469 -14.620 -1.983 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.409 -11.630 2.816 1.00 0.00 N ATOM 1143 CA ASP A 73 -12.390 -12.702 2.935 1.00 0.00 C ATOM 1144 C ASP A 73 -12.530 -13.459 1.618 1.00 0.00 C ATOM 1145 O ASP A 73 -13.251 -13.030 0.718 1.00 0.00 O ATOM 1146 CB ASP A 73 -13.747 -12.136 3.359 1.00 0.00 C ATOM 1147 CG ASP A 73 -14.589 -13.152 4.107 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -14.247 -13.470 5.265 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -15.591 -13.627 3.533 1.00 0.00 O ATOM 0 H ASP A 73 -11.653 -10.908 2.138 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.041 -13.398 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.591 -11.261 3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.289 -11.799 2.476 1.00 0.00 H new ATOM 1154 N GLY A 74 -11.835 -14.587 1.513 1.00 0.00 N ATOM 1155 CA GLY A 74 -11.894 -15.385 0.302 1.00 0.00 C ATOM 1156 C GLY A 74 -11.168 -14.734 -0.858 1.00 0.00 C ATOM 1157 O GLY A 74 -9.945 -14.830 -0.966 1.00 0.00 O ATOM 0 H GLY A 74 -11.232 -14.963 2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.458 -16.365 0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.936 -15.548 0.029 1.00 0.00 H new ATOM 1161 N ARG A 75 -11.921 -14.070 -1.729 1.00 0.00 N ATOM 1162 CA ARG A 75 -11.341 -13.403 -2.888 1.00 0.00 C ATOM 1163 C ARG A 75 -11.689 -11.918 -2.891 1.00 0.00 C ATOM 1164 O ARG A 75 -11.609 -11.252 -3.924 1.00 0.00 O ATOM 1165 CB ARG A 75 -11.836 -14.057 -4.180 1.00 0.00 C ATOM 1166 CG ARG A 75 -13.351 -14.129 -4.283 1.00 0.00 C ATOM 1167 CD ARG A 75 -13.808 -14.179 -5.733 1.00 0.00 C ATOM 1168 NE ARG A 75 -15.264 -14.205 -5.847 1.00 0.00 N ATOM 1169 CZ ARG A 75 -15.913 -14.118 -7.003 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -15.238 -13.999 -8.138 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -17.239 -14.149 -7.025 1.00 0.00 N ATOM 0 H ARG A 75 -12.934 -13.980 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.257 -13.504 -2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.448 -13.498 -5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.427 -15.065 -4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.711 -15.012 -3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.792 -13.262 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.418 -13.312 -6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.391 -15.063 -6.214 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.813 -14.295 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.218 -13.974 -8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.738 -13.932 -9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.762 -14.240 -6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.736 -14.082 -7.913 1.00 0.00 H new ATOM 1185 N HIS A 76 -12.076 -11.404 -1.728 1.00 0.00 N ATOM 1186 CA HIS A 76 -12.437 -9.996 -1.596 1.00 0.00 C ATOM 1187 C HIS A 76 -11.683 -9.348 -0.439 1.00 0.00 C ATOM 1188 O HIS A 76 -11.184 -10.036 0.453 1.00 0.00 O ATOM 1189 CB HIS A 76 -13.944 -9.852 -1.383 1.00 0.00 C ATOM 1190 CG HIS A 76 -14.763 -10.384 -2.518 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -15.787 -11.292 -2.346 1.00 0.00 N ATOM 1192 CD2 HIS A 76 -14.706 -10.131 -3.846 1.00 0.00 C ATOM 1193 CE1 HIS A 76 -16.324 -11.574 -3.520 1.00 0.00 C ATOM 1194 NE2 HIS A 76 -15.686 -10.882 -4.447 1.00 0.00 N ATOM 0 H HIS A 76 -12.148 -11.941 -0.864 1.00 0.00 H new ATOM 0 HA HIS A 76 -12.158 -9.487 -2.518 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.225 -10.373 -0.468 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -14.183 -8.799 -1.236 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.017 -9.462 -4.341 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.145 -12.254 -3.692 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.888 -10.902 -5.447 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.602 -8.022 -0.460 1.00 0.00 N ATOM 1204 CA PHE A 77 -10.907 -7.282 0.586 1.00 0.00 C ATOM 1205 C PHE A 77 -11.897 -6.517 1.461 1.00 0.00 C ATOM 1206 O PHE A 77 -12.787 -5.832 0.957 1.00 0.00 O ATOM 1207 CB PHE A 77 -9.899 -6.310 -0.031 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.782 -6.993 -0.767 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -9.022 -7.644 -1.967 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.493 -6.984 -0.260 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -7.997 -8.273 -2.647 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.463 -7.611 -0.937 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.716 -8.258 -2.131 1.00 0.00 C ATOM 0 H PHE A 77 -12.009 -7.438 -1.190 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.375 -7.999 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.422 -5.644 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.477 -5.688 0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.022 -7.660 -2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.290 -6.482 0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -8.197 -8.776 -3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.462 -7.595 -0.533 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.914 -8.751 -2.660 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.735 -6.641 2.774 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.613 -5.962 3.720 1.00 0.00 C ATOM 1225 C VAL A 78 -11.846 -4.930 4.538 1.00 0.00 C ATOM 1226 O VAL A 78 -10.936 -5.272 5.294 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.287 -6.963 4.678 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.221 -6.239 5.636 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -14.035 -8.030 3.894 1.00 0.00 C ATOM 0 H VAL A 78 -11.004 -7.205 3.207 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.381 -5.458 3.134 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.512 -7.454 5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.688 -6.962 6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.653 -5.517 6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.993 -5.719 5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.505 -8.728 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.801 -7.559 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.336 -8.569 3.254 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.220 -3.664 4.383 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.568 -2.580 5.108 1.00 0.00 C ATOM 1241 C LEU A 79 -12.204 -2.382 6.481 1.00 0.00 C ATOM 1242 O LEU A 79 -11.524 -2.435 7.505 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.649 -1.281 4.304 1.00 0.00 C ATOM 1244 CG LEU A 79 -10.861 -0.095 4.862 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -9.396 -0.195 4.466 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -11.458 1.218 4.378 1.00 0.00 C ATOM 0 H LEU A 79 -12.971 -3.364 3.762 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.521 -2.849 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.297 -1.481 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.697 -0.991 4.226 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.925 -0.120 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.850 0.657 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.974 -1.118 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.312 -0.196 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.884 2.051 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.425 1.253 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.493 1.292 4.713 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.514 -2.157 6.493 1.00 0.00 N ATOM 1259 CA GLY A 80 -14.221 -1.957 7.745 1.00 0.00 C ATOM 1260 C GLY A 80 -15.493 -2.776 7.830 1.00 0.00 C ATOM 1261 O GLY A 80 -15.460 -4.003 7.728 1.00 0.00 O ATOM 0 H GLY A 80 -14.099 -2.110 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.566 -2.222 8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.465 -0.900 7.856 1.00 0.00 H new ATOM 1265 N THR A 81 -16.621 -2.097 8.018 1.00 0.00 N ATOM 1266 CA THR A 81 -17.910 -2.770 8.119 1.00 0.00 C ATOM 1267 C THR A 81 -18.697 -2.648 6.819 1.00 0.00 C ATOM 1268 O THR A 81 -18.977 -1.543 6.353 1.00 0.00 O ATOM 1269 CB THR A 81 -18.754 -2.195 9.273 1.00 0.00 C ATOM 1270 OG1 THR A 81 -18.044 -2.324 10.510 1.00 0.00 O ATOM 1271 CG2 THR A 81 -20.092 -2.912 9.373 1.00 0.00 C ATOM 0 H THR A 81 -16.667 -1.082 8.103 1.00 0.00 H new ATOM 0 HA THR A 81 -17.704 -3.822 8.318 1.00 0.00 H new ATOM 0 HB THR A 81 -18.939 -1.140 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.586 -1.955 11.238 1.00 0.00 H new ATOM 0 HG21 THR A 81 -20.671 -2.489 10.194 1.00 0.00 H new ATOM 0 HG22 THR A 81 -20.642 -2.788 8.440 1.00 0.00 H new ATOM 0 HG23 THR A 81 -19.923 -3.973 9.556 1.00 0.00 H new ATOM 1279 N SER A 82 -19.052 -3.789 6.239 1.00 0.00 N ATOM 1280 CA SER A 82 -19.805 -3.810 4.990 1.00 0.00 C ATOM 1281 C SER A 82 -19.049 -3.076 3.888 1.00 0.00 C ATOM 1282 O SER A 82 -19.621 -2.262 3.164 1.00 0.00 O ATOM 1283 CB SER A 82 -21.183 -3.175 5.190 1.00 0.00 C ATOM 1284 OG SER A 82 -22.127 -3.707 4.277 1.00 0.00 O ATOM 0 H SER A 82 -18.831 -4.712 6.614 1.00 0.00 H new ATOM 0 HA SER A 82 -19.932 -4.850 4.688 1.00 0.00 H new ATOM 0 HB2 SER A 82 -21.522 -3.349 6.211 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.112 -2.095 5.057 1.00 0.00 H new ATOM 0 HG SER A 82 -22.999 -3.286 4.426 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.759 -3.370 3.767 1.00 0.00 N ATOM 1291 CA ALA A 83 -16.923 -2.740 2.752 1.00 0.00 C ATOM 1292 C ALA A 83 -16.177 -3.785 1.930 1.00 0.00 C ATOM 1293 O ALA A 83 -15.099 -4.238 2.315 1.00 0.00 O ATOM 1294 CB ALA A 83 -15.941 -1.776 3.401 1.00 0.00 C ATOM 0 H ALA A 83 -17.270 -4.041 4.359 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.572 -2.181 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.323 -1.313 2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.491 -1.003 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.304 -2.320 4.099 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.756 -4.163 0.796 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.147 -5.157 -0.079 1.00 0.00 C ATOM 1302 C TYR A 84 -15.566 -4.501 -1.328 1.00 0.00 C ATOM 1303 O TYR A 84 -16.074 -3.485 -1.803 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.176 -6.216 -0.478 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.244 -7.385 0.479 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -17.643 -7.206 1.798 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -16.911 -8.668 0.064 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -17.705 -8.271 2.676 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -16.972 -9.739 0.934 1.00 0.00 C ATOM 1310 CZ TYR A 84 -17.369 -9.535 2.239 1.00 0.00 C ATOM 1311 OH TYR A 84 -17.432 -10.599 3.110 1.00 0.00 O ATOM 0 H TYR A 84 -17.647 -3.796 0.461 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.336 -5.637 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.159 -5.750 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.936 -6.587 -1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -17.909 -6.218 2.143 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.599 -8.831 -0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.015 -8.114 3.699 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.710 -10.730 0.594 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.165 -11.419 2.645 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.499 -5.090 -1.856 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.847 -4.564 -3.050 1.00 0.00 C ATOM 1323 C PHE A 85 -13.071 -5.660 -3.774 1.00 0.00 C ATOM 1324 O PHE A 85 -12.211 -6.316 -3.188 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.905 -3.416 -2.679 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.602 -2.254 -2.032 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.275 -1.317 -2.800 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -13.586 -2.098 -0.655 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.917 -0.246 -2.206 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.226 -1.030 -0.056 1.00 0.00 C ATOM 1331 CZ PHE A 85 -14.893 -0.103 -0.833 1.00 0.00 C ATOM 0 H PHE A 85 -14.067 -5.932 -1.476 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.620 -4.188 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.137 -3.791 -2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.396 -3.069 -3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -14.298 -1.425 -3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.067 -2.820 -0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.437 0.478 -2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.205 -0.920 1.018 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.395 0.732 -0.367 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.383 -5.852 -5.052 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.715 -6.869 -5.856 1.00 0.00 C ATOM 1343 C GLU A 86 -11.221 -6.910 -5.551 1.00 0.00 C ATOM 1344 O GLU A 86 -10.607 -7.977 -5.540 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.936 -6.599 -7.346 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.795 -7.837 -8.216 1.00 0.00 C ATOM 1347 CD GLU A 86 -13.052 -7.551 -9.683 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -12.672 -6.457 -10.150 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -13.632 -8.423 -10.363 1.00 0.00 O ATOM 0 H GLU A 86 -14.093 -5.317 -5.552 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.146 -7.837 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.931 -6.178 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.221 -5.847 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.791 -8.246 -8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.492 -8.600 -7.871 1.00 0.00 H new ATOM 1356 N SER A 87 -10.641 -5.739 -5.304 1.00 0.00 N ATOM 1357 CA SER A 87 -9.218 -5.640 -5.003 1.00 0.00 C ATOM 1358 C SER A 87 -8.877 -4.263 -4.440 1.00 0.00 C ATOM 1359 O SER A 87 -9.709 -3.356 -4.441 1.00 0.00 O ATOM 1360 CB SER A 87 -8.389 -5.909 -6.260 1.00 0.00 C ATOM 1361 OG SER A 87 -9.006 -5.351 -7.407 1.00 0.00 O ATOM 0 H SER A 87 -11.135 -4.847 -5.307 1.00 0.00 H new ATOM 0 HA SER A 87 -8.978 -6.391 -4.251 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.391 -5.487 -6.139 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.267 -6.984 -6.396 1.00 0.00 H new ATOM 0 HG SER A 87 -8.456 -5.535 -8.197 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.647 -4.116 -3.960 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.193 -2.850 -3.394 1.00 0.00 C ATOM 1369 C LEU A 88 -7.437 -1.700 -4.366 1.00 0.00 C ATOM 1370 O LEU A 88 -7.531 -0.541 -3.962 1.00 0.00 O ATOM 1371 CB LEU A 88 -5.707 -2.930 -3.042 1.00 0.00 C ATOM 1372 CG LEU A 88 -5.352 -3.765 -1.811 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -3.878 -4.138 -1.826 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -5.700 -3.011 -0.537 1.00 0.00 C ATOM 0 H LEU A 88 -6.946 -4.857 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.765 -2.660 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.173 -3.339 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.336 -1.917 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.938 -4.684 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.644 -4.732 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.659 -4.719 -2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.273 -3.231 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.441 -3.620 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.141 -2.076 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.768 -2.796 -0.522 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.539 -2.029 -5.650 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.775 -1.024 -6.680 1.00 0.00 C ATOM 1388 C VAL A 89 -9.159 -0.401 -6.533 1.00 0.00 C ATOM 1389 O VAL A 89 -9.296 0.819 -6.460 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.642 -1.626 -8.091 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.927 -0.571 -9.150 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.259 -2.228 -8.285 1.00 0.00 C ATOM 0 H VAL A 89 -7.462 -2.983 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.017 -0.252 -6.549 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.378 -2.423 -8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.828 -1.014 -10.141 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.941 -0.191 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.216 0.249 -9.047 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.183 -2.649 -9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.504 -1.452 -8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.098 -3.015 -7.548 1.00 0.00 H new ATOM 1402 N GLU A 90 -10.182 -1.249 -6.490 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.556 -0.780 -6.351 1.00 0.00 C ATOM 1404 C GLU A 90 -11.701 0.130 -5.135 1.00 0.00 C ATOM 1405 O GLU A 90 -12.246 1.230 -5.231 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.514 -1.968 -6.230 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.997 -2.499 -7.569 1.00 0.00 C ATOM 1408 CD GLU A 90 -14.363 -3.150 -7.480 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -15.099 -2.853 -6.515 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -14.697 -3.956 -8.373 1.00 0.00 O ATOM 0 H GLU A 90 -10.086 -2.263 -6.549 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.809 -0.207 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.016 -2.772 -5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.377 -1.669 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.035 -1.681 -8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.277 -3.224 -7.949 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.209 -0.337 -3.993 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.284 0.434 -2.757 1.00 0.00 C ATOM 1419 C LEU A 91 -10.761 1.852 -2.967 1.00 0.00 C ATOM 1420 O LEU A 91 -11.404 2.826 -2.575 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.484 -0.258 -1.652 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.517 0.412 -0.278 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.369 -0.624 0.825 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -9.425 1.467 -0.172 1.00 0.00 C ATOM 0 H LEU A 91 -10.754 -1.245 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.330 0.493 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.856 -1.277 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.445 -0.330 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.482 0.904 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.395 -0.128 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.187 -1.342 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.419 -1.146 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.464 1.933 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.451 0.998 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.577 2.226 -0.939 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.591 1.960 -3.589 1.00 0.00 N ATOM 1437 CA VAL A 92 -8.984 3.258 -3.854 1.00 0.00 C ATOM 1438 C VAL A 92 -9.831 4.074 -4.824 1.00 0.00 C ATOM 1439 O VAL A 92 -10.294 5.166 -4.494 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.564 3.106 -4.433 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -7.015 4.458 -4.863 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.644 2.446 -3.418 1.00 0.00 C ATOM 0 H VAL A 92 -9.045 1.164 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.926 3.780 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.615 2.465 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.012 4.331 -5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.664 4.888 -5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.976 5.125 -4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.645 2.346 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.596 3.059 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.031 1.459 -3.164 1.00 0.00 H new ATOM 1452 N SER A 93 -10.032 3.536 -6.023 1.00 0.00 N ATOM 1453 CA SER A 93 -10.822 4.215 -7.043 1.00 0.00 C ATOM 1454 C SER A 93 -12.168 4.661 -6.481 1.00 0.00 C ATOM 1455 O SER A 93 -12.690 5.713 -6.849 1.00 0.00 O ATOM 1456 CB SER A 93 -11.038 3.296 -8.247 1.00 0.00 C ATOM 1457 OG SER A 93 -11.454 4.033 -9.383 1.00 0.00 O ATOM 0 H SER A 93 -9.658 2.632 -6.312 1.00 0.00 H new ATOM 0 HA SER A 93 -10.272 5.099 -7.364 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.114 2.764 -8.473 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.788 2.543 -8.004 1.00 0.00 H new ATOM 0 HG SER A 93 -11.584 3.423 -10.139 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.725 3.852 -5.586 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.012 4.161 -4.973 1.00 0.00 C ATOM 1465 C TYR A 94 -13.890 5.341 -4.015 1.00 0.00 C ATOM 1466 O TYR A 94 -14.453 6.410 -4.253 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.552 2.939 -4.229 1.00 0.00 C ATOM 1468 CG TYR A 94 -15.893 3.174 -3.572 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -15.993 3.900 -2.392 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -17.061 2.669 -4.132 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -17.216 4.116 -1.788 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.288 2.882 -3.536 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.361 3.606 -2.364 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.582 3.819 -1.766 1.00 0.00 O ATOM 0 H TYR A 94 -12.306 2.978 -5.269 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.708 4.432 -5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.640 2.108 -4.929 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -13.831 2.640 -3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.099 4.302 -1.939 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -17.008 2.100 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -17.276 4.681 -0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.186 2.484 -3.985 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.286 3.395 -2.300 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.149 5.140 -2.930 1.00 0.00 N ATOM 1485 CA TYR A 95 -12.953 6.186 -1.934 1.00 0.00 C ATOM 1486 C TYR A 95 -12.584 7.509 -2.597 1.00 0.00 C ATOM 1487 O TYR A 95 -13.031 8.574 -2.173 1.00 0.00 O ATOM 1488 CB TYR A 95 -11.861 5.778 -0.943 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.376 4.970 0.227 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.180 5.553 1.198 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -12.058 3.624 0.361 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.653 4.820 2.269 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -12.527 2.883 1.428 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.324 3.485 2.380 1.00 0.00 C ATOM 1495 OH TYR A 95 -13.791 2.750 3.445 1.00 0.00 O ATOM 0 H TYR A 95 -12.675 4.262 -2.719 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.892 6.320 -1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.103 5.197 -1.469 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.370 6.675 -0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.440 6.598 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.434 3.149 -0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -14.277 5.289 3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.271 1.837 1.517 1.00 0.00 H new ATOM 0 HH TYR A 95 -14.200 1.922 3.117 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.767 7.431 -3.643 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.337 8.623 -4.366 1.00 0.00 C ATOM 1507 C GLU A 96 -12.459 9.656 -4.427 1.00 0.00 C ATOM 1508 O GLU A 96 -12.212 10.861 -4.381 1.00 0.00 O ATOM 1509 CB GLU A 96 -10.892 8.254 -5.782 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.420 7.889 -5.882 1.00 0.00 C ATOM 1511 CD GLU A 96 -8.844 8.156 -7.259 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -9.612 8.101 -8.243 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -7.628 8.420 -7.353 1.00 0.00 O ATOM 0 H GLU A 96 -11.390 6.556 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.494 9.058 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.491 7.414 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.096 9.093 -6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.858 8.457 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.294 6.834 -5.638 1.00 0.00 H new ATOM 1520 N LYS A 97 -13.693 9.175 -4.531 1.00 0.00 N ATOM 1521 CA LYS A 97 -14.854 10.055 -4.598 1.00 0.00 C ATOM 1522 C LYS A 97 -15.467 10.252 -3.215 1.00 0.00 C ATOM 1523 O LYS A 97 -15.907 11.350 -2.871 1.00 0.00 O ATOM 1524 CB LYS A 97 -15.901 9.479 -5.554 1.00 0.00 C ATOM 1525 CG LYS A 97 -15.640 9.811 -7.013 1.00 0.00 C ATOM 1526 CD LYS A 97 -16.093 11.220 -7.354 1.00 0.00 C ATOM 1527 CE LYS A 97 -15.929 11.515 -8.837 1.00 0.00 C ATOM 1528 NZ LYS A 97 -16.355 12.901 -9.178 1.00 0.00 N ATOM 0 H LYS A 97 -13.915 8.180 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.524 11.024 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.931 8.396 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.884 9.858 -5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.576 9.709 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.162 9.096 -7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.138 11.346 -7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.516 11.939 -6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.886 11.375 -9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.516 10.802 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.228 13.062 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.357 13.027 -8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.778 13.583 -8.645 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.492 9.184 -2.425 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.049 9.241 -1.078 1.00 0.00 C ATOM 1544 C HIS A 98 -14.940 9.343 -0.035 1.00 0.00 C ATOM 1545 O HIS A 98 -14.037 8.508 0.009 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.908 8.006 -0.806 1.00 0.00 C ATOM 1547 CG HIS A 98 -18.197 7.994 -1.568 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -18.945 6.852 -1.763 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -18.872 8.993 -2.184 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -20.023 7.149 -2.467 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -20.002 8.442 -2.735 1.00 0.00 N ATOM 0 H HIS A 98 -15.133 8.268 -2.694 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.673 10.132 -1.007 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.337 7.113 -1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.125 7.952 0.261 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -18.704 5.923 -1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.576 10.031 -2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -20.791 6.453 -2.771 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.014 10.373 0.801 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.018 10.584 1.844 1.00 0.00 C ATOM 1562 C ALA A 99 -13.773 9.304 2.636 1.00 0.00 C ATOM 1563 O ALA A 99 -14.716 8.624 3.044 1.00 0.00 O ATOM 1564 CB ALA A 99 -14.456 11.707 2.773 1.00 0.00 C ATOM 0 H ALA A 99 -15.754 11.075 0.776 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.081 10.869 1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.703 11.854 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.573 12.628 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.407 11.445 3.237 1.00 0.00 H new ATOM 1570 N LEU A 100 -12.503 8.981 2.851 1.00 0.00 N ATOM 1571 CA LEU A 100 -12.134 7.781 3.595 1.00 0.00 C ATOM 1572 C LEU A 100 -12.105 8.057 5.094 1.00 0.00 C ATOM 1573 O LEU A 100 -12.734 7.346 5.879 1.00 0.00 O ATOM 1574 CB LEU A 100 -10.768 7.271 3.132 1.00 0.00 C ATOM 1575 CG LEU A 100 -10.029 6.353 4.107 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -10.598 4.944 4.048 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.538 6.341 3.803 1.00 0.00 C ATOM 0 H LEU A 100 -11.711 9.533 2.521 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.886 7.016 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.902 6.737 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.133 8.132 2.922 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.170 6.738 5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.060 4.305 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.654 4.967 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.488 4.549 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.028 5.683 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.377 5.981 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.139 7.351 3.897 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.374 9.095 5.486 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.264 9.465 6.892 1.00 0.00 C ATOM 1591 C TYR A 101 -12.135 10.678 7.206 1.00 0.00 C ATOM 1592 O TYR A 101 -12.667 11.325 6.303 1.00 0.00 O ATOM 1593 CB TYR A 101 -9.807 9.764 7.249 1.00 0.00 C ATOM 1594 CG TYR A 101 -9.583 10.004 8.725 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -9.369 8.944 9.597 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.584 11.292 9.247 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -9.164 9.159 10.946 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.378 11.516 10.595 1.00 0.00 C ATOM 1599 CZ TYR A 101 -9.170 10.446 11.440 1.00 0.00 C ATOM 1600 OH TYR A 101 -8.965 10.665 12.783 1.00 0.00 O ATOM 0 H TYR A 101 -10.849 9.695 4.850 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.614 8.624 7.491 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -9.184 8.930 6.926 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.478 10.642 6.693 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -9.363 7.934 9.214 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -9.749 12.132 8.588 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -9.000 8.323 11.610 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -9.380 12.523 10.985 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.999 11.627 12.966 1.00 0.00 H new ATOM 1610 N ARG A 102 -12.276 10.980 8.492 1.00 0.00 N ATOM 1611 CA ARG A 102 -13.082 12.114 8.927 1.00 0.00 C ATOM 1612 C ARG A 102 -12.701 13.377 8.161 1.00 0.00 C ATOM 1613 O ARG A 102 -11.675 13.999 8.438 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.909 12.344 10.430 1.00 0.00 C ATOM 1615 CG ARG A 102 -13.907 11.577 11.282 1.00 0.00 C ATOM 1616 CD ARG A 102 -13.460 10.141 11.508 1.00 0.00 C ATOM 1617 NE ARG A 102 -12.616 10.011 12.693 1.00 0.00 N ATOM 1618 CZ ARG A 102 -13.090 9.988 13.934 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -14.395 10.086 14.150 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -12.259 9.866 14.961 1.00 0.00 N ATOM 0 H ARG A 102 -11.842 10.455 9.251 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.127 11.885 8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.899 12.054 10.719 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -13.008 13.409 10.640 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.027 12.077 12.243 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.882 11.583 10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.336 9.501 11.615 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.913 9.789 10.633 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.608 9.934 12.561 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.037 10.179 13.363 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.757 10.068 15.103 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.255 9.790 14.798 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.624 9.848 15.913 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.535 13.752 7.197 1.00 0.00 N ATOM 1635 CA LYS A 103 -13.287 14.942 6.390 1.00 0.00 C ATOM 1636 C LYS A 103 -11.984 14.807 5.609 1.00 0.00 C ATOM 1637 O LYS A 103 -11.154 15.716 5.607 1.00 0.00 O ATOM 1638 CB LYS A 103 -13.234 16.185 7.281 1.00 0.00 C ATOM 1639 CG LYS A 103 -14.593 16.618 7.802 1.00 0.00 C ATOM 1640 CD LYS A 103 -14.633 18.111 8.083 1.00 0.00 C ATOM 1641 CE LYS A 103 -16.033 18.676 7.895 1.00 0.00 C ATOM 1642 NZ LYS A 103 -16.359 18.882 6.457 1.00 0.00 N ATOM 0 H LYS A 103 -14.389 13.249 6.955 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.107 15.047 5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.576 15.987 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.791 17.007 6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -15.361 16.364 7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -14.826 16.069 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.297 18.300 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.939 18.626 7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.761 17.997 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.116 19.624 8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.321 19.268 6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.680 19.549 6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.305 17.973 5.955 1.00 0.00 H new ATOM 1656 N MET A 104 -11.812 13.669 4.945 1.00 0.00 N ATOM 1657 CA MET A 104 -10.611 13.418 4.157 1.00 0.00 C ATOM 1658 C MET A 104 -10.877 12.375 3.077 1.00 0.00 C ATOM 1659 O MET A 104 -11.602 11.406 3.302 1.00 0.00 O ATOM 1660 CB MET A 104 -9.469 12.952 5.062 1.00 0.00 C ATOM 1661 CG MET A 104 -8.093 13.362 4.565 1.00 0.00 C ATOM 1662 SD MET A 104 -7.662 12.585 2.996 1.00 0.00 S ATOM 1663 CE MET A 104 -6.916 11.060 3.567 1.00 0.00 C ATOM 0 H MET A 104 -12.489 12.906 4.937 1.00 0.00 H new ATOM 0 HA MET A 104 -10.323 14.351 3.673 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.621 13.358 6.062 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.506 11.866 5.149 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.060 14.445 4.451 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.347 13.098 5.314 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.597 10.468 2.709 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.053 11.289 4.192 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.644 10.494 4.148 1.00 0.00 H new ATOM 1673 N ARG A 105 -10.287 12.579 1.904 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.462 11.657 0.789 1.00 0.00 C ATOM 1675 C ARG A 105 -9.187 11.562 -0.044 1.00 0.00 C ATOM 1676 O ARG A 105 -8.542 12.572 -0.328 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.629 12.105 -0.094 1.00 0.00 C ATOM 1678 CG ARG A 105 -11.227 13.089 -1.180 1.00 0.00 C ATOM 1679 CD ARG A 105 -12.382 13.375 -2.128 1.00 0.00 C ATOM 1680 NE ARG A 105 -12.292 14.709 -2.713 1.00 0.00 N ATOM 1681 CZ ARG A 105 -13.001 15.099 -3.767 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -13.849 14.260 -4.346 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -12.864 16.330 -4.242 1.00 0.00 N ATOM 0 H ARG A 105 -9.683 13.376 1.701 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.683 10.671 1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.080 11.228 -0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.394 12.562 0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.891 14.020 -0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.384 12.688 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.391 12.630 -2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.325 13.278 -1.590 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.650 15.379 -2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.958 13.313 -3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -14.392 14.561 -5.155 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -12.214 16.978 -3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.409 16.628 -5.051 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.830 10.343 -0.432 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.631 10.116 -1.233 1.00 0.00 C ATOM 1699 C LEU A 106 -7.508 11.160 -2.338 1.00 0.00 C ATOM 1700 O LEU A 106 -8.157 11.055 -3.379 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.659 8.713 -1.842 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.036 7.576 -0.891 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -7.977 6.237 -1.610 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -7.119 7.571 0.324 1.00 0.00 C ATOM 0 H LEU A 106 -9.353 9.497 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.764 10.204 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.364 8.713 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.675 8.500 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.058 7.738 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.248 5.440 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.674 6.243 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.966 6.067 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.402 6.756 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.087 7.434 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.211 8.520 0.853 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.671 12.165 -2.105 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.462 13.228 -3.081 1.00 0.00 C ATOM 1718 C ARG A 107 -5.092 13.100 -3.739 1.00 0.00 C ATOM 1719 O ARG A 107 -4.951 13.294 -4.947 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.592 14.597 -2.411 1.00 0.00 C ATOM 1721 CG ARG A 107 -6.146 15.751 -3.294 1.00 0.00 C ATOM 1722 CD ARG A 107 -7.305 16.314 -4.103 1.00 0.00 C ATOM 1723 NE ARG A 107 -6.856 16.910 -5.358 1.00 0.00 N ATOM 1724 CZ ARG A 107 -7.683 17.324 -6.312 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -8.995 17.206 -6.154 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -7.199 17.856 -7.427 1.00 0.00 N ATOM 0 H ARG A 107 -6.126 12.266 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.226 13.134 -3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.631 14.753 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.001 14.602 -1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.716 16.539 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.361 15.411 -3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.020 15.519 -4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.829 17.065 -3.512 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.853 17.014 -5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.371 16.797 -5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.628 17.525 -6.888 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.191 17.948 -7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.835 18.173 -8.159 1.00 0.00 H new ATOM 1740 N TYR A 108 -4.084 12.773 -2.937 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.724 12.622 -3.441 1.00 0.00 C ATOM 1742 C TYR A 108 -2.178 11.233 -3.125 1.00 0.00 C ATOM 1743 O TYR A 108 -1.712 10.957 -2.019 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.812 13.690 -2.836 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.240 15.104 -3.159 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -1.810 15.733 -4.321 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -3.075 15.811 -2.302 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -2.197 17.025 -4.619 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.468 17.103 -2.593 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.027 17.706 -3.752 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.416 18.992 -4.047 1.00 0.00 O ATOM 0 H TYR A 108 -4.183 12.608 -1.935 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.749 12.746 -4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.788 13.565 -1.753 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.795 13.535 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.162 15.202 -5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.423 15.342 -1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.852 17.500 -5.526 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.117 17.638 -1.916 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.000 19.328 -3.336 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.234 10.336 -4.121 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.749 8.960 -3.976 1.00 0.00 C ATOM 1763 C PRO A 109 -0.229 8.890 -3.868 1.00 0.00 C ATOM 1764 O PRO A 109 0.475 8.873 -4.877 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.225 8.278 -5.260 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.356 9.384 -6.250 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.776 10.595 -5.465 1.00 0.00 C ATOM 0 HA PRO A 109 -2.121 8.491 -3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.511 7.527 -5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.176 7.768 -5.108 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.412 9.561 -6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.094 9.139 -7.014 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.369 11.512 -5.892 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.860 10.706 -5.446 1.00 0.00 H new ATOM 1775 N VAL A 110 0.271 8.850 -2.637 1.00 0.00 N ATOM 1776 CA VAL A 110 1.707 8.781 -2.397 1.00 0.00 C ATOM 1777 C VAL A 110 2.391 7.876 -3.416 1.00 0.00 C ATOM 1778 O VAL A 110 1.974 6.738 -3.632 1.00 0.00 O ATOM 1779 CB VAL A 110 2.015 8.263 -0.979 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.514 8.083 -0.790 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.447 9.209 0.068 1.00 0.00 C ATOM 0 H VAL A 110 -0.298 8.864 -1.790 1.00 0.00 H new ATOM 0 HA VAL A 110 2.094 9.795 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 110 1.538 7.291 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.712 7.717 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.889 7.364 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.016 9.040 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.674 8.828 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.893 10.196 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.366 9.282 -0.055 1.00 0.00 H new ATOM 1791 N THR A 111 3.446 8.390 -4.041 1.00 0.00 N ATOM 1792 CA THR A 111 4.189 7.630 -5.039 1.00 0.00 C ATOM 1793 C THR A 111 5.678 7.603 -4.713 1.00 0.00 C ATOM 1794 O THR A 111 6.194 8.450 -3.983 1.00 0.00 O ATOM 1795 CB THR A 111 3.994 8.215 -6.450 1.00 0.00 C ATOM 1796 OG1 THR A 111 3.908 9.643 -6.381 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.736 7.656 -7.099 1.00 0.00 C ATOM 0 H THR A 111 3.805 9.330 -3.874 1.00 0.00 H new ATOM 0 HA THR A 111 3.797 6.613 -5.018 1.00 0.00 H new ATOM 0 HB THR A 111 4.853 7.933 -7.058 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.786 10.007 -7.283 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.619 8.084 -8.095 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.818 6.572 -7.177 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.868 7.911 -6.491 1.00 0.00 H new ATOM 1805 N PRO A 112 6.387 6.609 -5.267 1.00 0.00 N ATOM 1806 CA PRO A 112 7.828 6.449 -5.050 1.00 0.00 C ATOM 1807 C PRO A 112 8.642 7.542 -5.734 1.00 0.00 C ATOM 1808 O PRO A 112 9.727 7.899 -5.275 1.00 0.00 O ATOM 1809 CB PRO A 112 8.132 5.085 -5.676 1.00 0.00 C ATOM 1810 CG PRO A 112 7.065 4.891 -6.697 1.00 0.00 C ATOM 1811 CD PRO A 112 5.838 5.564 -6.147 1.00 0.00 C ATOM 0 HA PRO A 112 8.091 6.517 -3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.123 5.070 -6.131 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.113 4.293 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.355 5.329 -7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 112 6.882 3.831 -6.874 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.223 5.989 -6.940 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.209 4.865 -5.596 1.00 0.00 H new ATOM 1819 N GLU A 113 8.111 8.069 -6.832 1.00 0.00 N ATOM 1820 CA GLU A 113 8.790 9.122 -7.579 1.00 0.00 C ATOM 1821 C GLU A 113 8.618 10.474 -6.891 1.00 0.00 C ATOM 1822 O GLU A 113 9.389 11.405 -7.127 1.00 0.00 O ATOM 1823 CB GLU A 113 8.252 9.193 -9.009 1.00 0.00 C ATOM 1824 CG GLU A 113 9.287 9.638 -10.028 1.00 0.00 C ATOM 1825 CD GLU A 113 8.662 10.128 -11.319 1.00 0.00 C ATOM 1826 OE1 GLU A 113 7.839 9.387 -11.898 1.00 0.00 O ATOM 1827 OE2 GLU A 113 8.995 11.251 -11.752 1.00 0.00 O ATOM 0 H GLU A 113 7.213 7.785 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 113 9.853 8.882 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 113 7.872 8.212 -9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 113 7.408 9.882 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.895 10.434 -9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.957 8.807 -10.246 1.00 0.00 H new ATOM 1834 N LEU A 114 7.602 10.573 -6.041 1.00 0.00 N ATOM 1835 CA LEU A 114 7.328 11.811 -5.319 1.00 0.00 C ATOM 1836 C LEU A 114 8.349 12.031 -4.208 1.00 0.00 C ATOM 1837 O LEU A 114 8.975 13.089 -4.127 1.00 0.00 O ATOM 1838 CB LEU A 114 5.916 11.778 -4.731 1.00 0.00 C ATOM 1839 CG LEU A 114 5.458 13.049 -4.014 1.00 0.00 C ATOM 1840 CD1 LEU A 114 5.053 14.114 -5.021 1.00 0.00 C ATOM 1841 CD2 LEU A 114 4.307 12.742 -3.067 1.00 0.00 C ATOM 0 H LEU A 114 6.955 9.812 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 114 7.403 12.639 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.213 11.566 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.856 10.947 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 114 6.293 13.433 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.730 15.011 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.904 14.355 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.234 13.741 -5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.994 13.658 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.469 12.334 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.632 12.014 -2.323 1.00 0.00 H new ATOM 1853 N LEU A 115 8.514 11.026 -3.356 1.00 0.00 N ATOM 1854 CA LEU A 115 9.462 11.109 -2.250 1.00 0.00 C ATOM 1855 C LEU A 115 10.810 11.641 -2.727 1.00 0.00 C ATOM 1856 O LEU A 115 11.407 12.507 -2.089 1.00 0.00 O ATOM 1857 CB LEU A 115 9.643 9.735 -1.603 1.00 0.00 C ATOM 1858 CG LEU A 115 8.618 9.356 -0.534 1.00 0.00 C ATOM 1859 CD1 LEU A 115 8.898 10.102 0.762 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.206 9.644 -1.023 1.00 0.00 C ATOM 0 H LEU A 115 8.004 10.144 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 115 9.060 11.802 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.615 8.979 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.636 9.694 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 115 8.703 8.287 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.158 9.820 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.895 9.846 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.842 11.176 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.490 9.368 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.108 10.706 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.008 9.064 -1.924 1.00 0.00 H new ATOM 1872 N GLU A 116 11.282 11.116 -3.853 1.00 0.00 N ATOM 1873 CA GLU A 116 12.559 11.540 -4.416 1.00 0.00 C ATOM 1874 C GLU A 116 12.475 12.970 -4.941 1.00 0.00 C ATOM 1875 O GLU A 116 13.358 13.789 -4.688 1.00 0.00 O ATOM 1876 CB GLU A 116 12.984 10.595 -5.542 1.00 0.00 C ATOM 1877 CG GLU A 116 13.141 9.150 -5.098 1.00 0.00 C ATOM 1878 CD GLU A 116 14.032 8.348 -6.026 1.00 0.00 C ATOM 1879 OE1 GLU A 116 13.683 8.221 -7.219 1.00 0.00 O ATOM 1880 OE2 GLU A 116 15.077 7.848 -5.561 1.00 0.00 O ATOM 0 H GLU A 116 10.800 10.397 -4.393 1.00 0.00 H new ATOM 0 HA GLU A 116 13.305 11.507 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.246 10.642 -6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.929 10.943 -5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.557 9.127 -4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.159 8.680 -5.048 1.00 0.00 H new ATOM 1887 N ARG A 117 11.406 13.262 -5.675 1.00 0.00 N ATOM 1888 CA ARG A 117 11.206 14.592 -6.238 1.00 0.00 C ATOM 1889 C ARG A 117 10.999 15.625 -5.134 1.00 0.00 C ATOM 1890 O ARG A 117 11.190 16.822 -5.347 1.00 0.00 O ATOM 1891 CB ARG A 117 10.003 14.593 -7.184 1.00 0.00 C ATOM 1892 CG ARG A 117 9.550 15.985 -7.591 1.00 0.00 C ATOM 1893 CD ARG A 117 8.635 15.941 -8.805 1.00 0.00 C ATOM 1894 NE ARG A 117 9.383 16.017 -10.057 1.00 0.00 N ATOM 1895 CZ ARG A 117 8.811 16.167 -11.247 1.00 0.00 C ATOM 1896 NH1 ARG A 117 7.491 16.255 -11.345 1.00 0.00 N ATOM 1897 NH2 ARG A 117 9.559 16.228 -12.341 1.00 0.00 N ATOM 0 H ARG A 117 10.665 12.596 -5.894 1.00 0.00 H new ATOM 0 HA ARG A 117 12.101 14.860 -6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 117 10.256 14.026 -8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.173 14.076 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.029 16.457 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.421 16.602 -7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.052 15.020 -8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.927 16.768 -8.755 1.00 0.00 H new ATOM 0 HE ARG A 117 10.400 15.951 -10.016 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.913 16.208 -10.506 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.054 16.370 -12.259 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.574 16.160 -12.269 1.00 0.00 H new ATOM 0 HH22 ARG A 117 9.119 16.343 -13.254 1.00 0.00 H new ATOM 1911 N TYR A 118 10.608 15.153 -3.956 1.00 0.00 N ATOM 1912 CA TYR A 118 10.372 16.035 -2.819 1.00 0.00 C ATOM 1913 C TYR A 118 11.536 15.978 -1.835 1.00 0.00 C ATOM 1914 O TYR A 118 11.426 16.438 -0.698 1.00 0.00 O ATOM 1915 CB TYR A 118 9.072 15.652 -2.111 1.00 0.00 C ATOM 1916 CG TYR A 118 7.832 16.196 -2.785 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.709 16.183 -4.169 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.785 16.722 -2.039 1.00 0.00 C ATOM 1919 CE1 TYR A 118 6.579 16.679 -4.790 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.651 17.219 -2.652 1.00 0.00 C ATOM 1921 CZ TYR A 118 5.553 17.195 -4.027 1.00 0.00 C ATOM 1922 OH TYR A 118 4.425 17.691 -4.641 1.00 0.00 O ATOM 0 H TYR A 118 10.448 14.164 -3.763 1.00 0.00 H new ATOM 0 HA TYR A 118 10.287 17.055 -3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 118 9.001 14.565 -2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 118 9.107 16.016 -1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 118 8.510 15.778 -4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.859 16.743 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.500 16.663 -5.867 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.846 17.624 -2.057 1.00 0.00 H new ATOM 0 HH TYR A 118 3.798 18.015 -3.961 1.00 0.00 H new ATOM 1932 N SER A 119 12.652 15.409 -2.280 1.00 0.00 N ATOM 1933 CA SER A 119 13.837 15.288 -1.439 1.00 0.00 C ATOM 1934 C SER A 119 14.698 16.545 -1.528 1.00 0.00 C ATOM 1935 O SER A 119 15.917 16.467 -1.672 1.00 0.00 O ATOM 1936 CB SER A 119 14.658 14.064 -1.850 1.00 0.00 C ATOM 1937 OG SER A 119 15.518 13.651 -0.803 1.00 0.00 O ATOM 0 H SER A 119 12.760 15.024 -3.219 1.00 0.00 H new ATOM 0 HA SER A 119 13.508 15.166 -0.407 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.989 13.247 -2.118 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.247 14.298 -2.737 1.00 0.00 H new ATOM 0 HG SER A 119 16.106 14.393 -0.551 1.00 0.00 H new