USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 875 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 LYS NZ :NH3+ 165:sc= 0.0871 (180deg=0.0393) USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 58 THR OG1 : rot -83:sc= 0.824 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -8.66! C(o=-7.8!,f=-7.5!) USER MOD Set 3.1: A 23 TYR OH : rot -79:sc= 0.496 USER MOD Set 3.2: A 34 MET CE :methyl -128:sc= -5.83! (180deg=-11.9!) USER MOD Set 4.1: A 14 ASN :FLIP amide:sc= -0.164 X(o=-2.2,f=-1.8) USER MOD Set 4.2: A 16 HIS :FLIP no HE2:sc= -1.62 F(o=-3.2,f=-1.8) USER MOD Single : A 18 SER OG : rot -28:sc= 0.732 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 29:sc= 0.0147 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 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.196 K(o=-0.2,f=-4.8!) USER MOD Single : A 76 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.1) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -0.199 F(o=-1,f=-0.2) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -138:sc= -0.0516 (180deg=-1.77!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.589 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -2.915 -9.474 -10.621 1.00 0.00 N ATOM 151 CA ASN A 14 -2.950 -8.620 -9.439 1.00 0.00 C ATOM 152 C ASN A 14 -2.565 -7.186 -9.792 1.00 0.00 C ATOM 153 O ASN A 14 -1.425 -6.761 -9.610 1.00 0.00 O ATOM 154 CB ASN A 14 -2.007 -9.163 -8.364 1.00 0.00 C ATOM 155 CG ASN A 14 -2.333 -10.593 -7.977 1.00 0.00 C ATOM 156 OD1 ASN A 14 -2.098 -11.523 -8.896 1.00 0.00 O flip ATOM 157 ND2 ASN A 14 -2.792 -10.858 -6.866 1.00 0.00 N flip ATOM 0 HA ASN A 14 -3.969 -8.619 -9.052 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.980 -9.113 -8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.065 -8.528 -7.480 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.957 -10.111 -6.191 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.008 -11.824 -6.621 1.00 0.00 H new ATOM 164 N PRO A 15 -3.539 -6.422 -10.309 1.00 0.00 N ATOM 165 CA PRO A 15 -3.327 -5.025 -10.697 1.00 0.00 C ATOM 166 C PRO A 15 -3.118 -4.114 -9.492 1.00 0.00 C ATOM 167 O PRO A 15 -2.895 -2.912 -9.641 1.00 0.00 O ATOM 168 CB PRO A 15 -4.623 -4.658 -11.425 1.00 0.00 C ATOM 169 CG PRO A 15 -5.647 -5.584 -10.865 1.00 0.00 C ATOM 170 CD PRO A 15 -4.922 -6.864 -10.554 1.00 0.00 C ATOM 0 HA PRO A 15 -2.431 -4.903 -11.305 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.894 -3.617 -11.251 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.521 -4.785 -12.503 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.102 -5.165 -9.967 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.451 -5.755 -11.580 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.345 -7.364 -9.682 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.978 -7.569 -11.383 1.00 0.00 H new ATOM 178 N HIS A 16 -3.190 -4.694 -8.298 1.00 0.00 N ATOM 179 CA HIS A 16 -3.007 -3.933 -7.066 1.00 0.00 C ATOM 180 C HIS A 16 -1.532 -3.868 -6.683 1.00 0.00 C ATOM 181 O HIS A 16 -1.101 -2.943 -5.995 1.00 0.00 O ATOM 182 CB HIS A 16 -3.814 -4.561 -5.930 1.00 0.00 C ATOM 183 CG HIS A 16 -3.175 -5.783 -5.345 1.00 0.00 C ATOM 184 ND1 HIS A 16 -2.329 -5.925 -4.298 1.00 0.00 N flip ATOM 185 CD2 HIS A 16 -3.381 -7.052 -5.844 1.00 0.00 C flip ATOM 186 CE1 HIS A 16 -2.043 -7.263 -4.184 1.00 0.00 C flip ATOM 187 NE2 HIS A 16 -2.691 -7.922 -5.128 1.00 0.00 N flip ATOM 0 H HIS A 16 -3.374 -5.687 -8.157 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.365 -2.918 -7.237 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.953 -3.821 -5.142 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.805 -4.822 -6.301 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -1.971 -5.177 -3.704 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.008 -7.297 -6.688 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -1.394 -7.705 -3.443 1.00 0.00 H new ATOM 196 N GLU A 17 -0.764 -4.856 -7.131 1.00 0.00 N ATOM 197 CA GLU A 17 0.662 -4.910 -6.832 1.00 0.00 C ATOM 198 C GLU A 17 1.481 -4.328 -7.981 1.00 0.00 C ATOM 199 O GLU A 17 2.693 -4.146 -7.864 1.00 0.00 O ATOM 200 CB GLU A 17 1.095 -6.353 -6.563 1.00 0.00 C ATOM 201 CG GLU A 17 1.338 -7.161 -7.826 1.00 0.00 C ATOM 202 CD GLU A 17 1.335 -8.656 -7.571 1.00 0.00 C ATOM 203 OE1 GLU A 17 0.716 -9.088 -6.577 1.00 0.00 O ATOM 204 OE2 GLU A 17 1.953 -9.394 -8.367 1.00 0.00 O ATOM 0 H GLU A 17 -1.105 -5.629 -7.702 1.00 0.00 H new ATOM 0 HA GLU A 17 0.843 -4.311 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.007 -6.344 -5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.329 -6.848 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.570 -6.920 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.295 -6.872 -8.259 1.00 0.00 H new ATOM 211 N SER A 18 0.810 -4.038 -9.091 1.00 0.00 N ATOM 212 CA SER A 18 1.475 -3.481 -10.263 1.00 0.00 C ATOM 213 C SER A 18 1.386 -1.958 -10.265 1.00 0.00 C ATOM 214 O SER A 18 1.850 -1.298 -11.196 1.00 0.00 O ATOM 215 CB SER A 18 0.852 -4.041 -11.544 1.00 0.00 C ATOM 216 OG SER A 18 1.521 -3.551 -12.693 1.00 0.00 O ATOM 0 H SER A 18 -0.194 -4.180 -9.203 1.00 0.00 H new ATOM 0 HA SER A 18 2.526 -3.767 -10.224 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.899 -5.130 -11.529 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.202 -3.768 -11.589 1.00 0.00 H new ATOM 0 HG SER A 18 1.900 -2.668 -12.499 1.00 0.00 H new ATOM 222 N LYS A 19 0.786 -1.405 -9.216 1.00 0.00 N ATOM 223 CA LYS A 19 0.637 0.040 -9.094 1.00 0.00 C ATOM 224 C LYS A 19 1.833 0.652 -8.371 1.00 0.00 C ATOM 225 O LYS A 19 2.506 0.000 -7.573 1.00 0.00 O ATOM 226 CB LYS A 19 -0.654 0.378 -8.343 1.00 0.00 C ATOM 227 CG LYS A 19 -1.915 0.027 -9.113 1.00 0.00 C ATOM 228 CD LYS A 19 -2.209 1.049 -10.197 1.00 0.00 C ATOM 229 CE LYS A 19 -3.682 1.049 -10.579 1.00 0.00 C ATOM 230 NZ LYS A 19 -3.897 1.563 -11.960 1.00 0.00 N ATOM 0 H LYS A 19 0.395 -1.936 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 19 0.588 0.461 -10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.660 -0.153 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.663 1.444 -8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.805 -0.960 -9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.759 -0.028 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.922 2.042 -9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.604 0.832 -11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.077 0.036 -10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.240 1.663 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.913 1.547 -12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.543 2.539 -12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.385 0.963 -12.638 1.00 0.00 H new ATOM 244 N PRO A 20 2.104 1.935 -8.655 1.00 0.00 N ATOM 245 CA PRO A 20 3.218 2.663 -8.040 1.00 0.00 C ATOM 246 C PRO A 20 2.984 2.937 -6.559 1.00 0.00 C ATOM 247 O PRO A 20 3.914 2.881 -5.754 1.00 0.00 O ATOM 248 CB PRO A 20 3.260 3.975 -8.827 1.00 0.00 C ATOM 249 CG PRO A 20 1.873 4.156 -9.337 1.00 0.00 C ATOM 250 CD PRO A 20 1.342 2.773 -9.596 1.00 0.00 C ATOM 0 HA PRO A 20 4.148 2.096 -8.080 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.560 4.808 -8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.979 3.923 -9.645 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.255 4.681 -8.609 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.868 4.753 -10.249 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.270 2.713 -9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.504 2.467 -10.629 1.00 0.00 H new ATOM 258 N TRP A 21 1.739 3.234 -6.206 1.00 0.00 N ATOM 259 CA TRP A 21 1.384 3.517 -4.820 1.00 0.00 C ATOM 260 C TRP A 21 1.404 2.243 -3.982 1.00 0.00 C ATOM 261 O TRP A 21 1.220 2.286 -2.765 1.00 0.00 O ATOM 262 CB TRP A 21 0.002 4.168 -4.749 1.00 0.00 C ATOM 263 CG TRP A 21 -1.043 3.431 -5.532 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.604 3.818 -6.715 1.00 0.00 C ATOM 265 CD2 TRP A 21 -1.652 2.183 -5.185 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.525 2.885 -7.125 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.573 1.872 -6.205 1.00 0.00 C ATOM 268 CE3 TRP A 21 -1.507 1.296 -4.115 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.345 0.713 -6.182 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.274 0.147 -4.093 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.183 -0.137 -5.122 1.00 0.00 C ATOM 0 H TRP A 21 0.958 3.285 -6.860 1.00 0.00 H new ATOM 0 HA TRP A 21 2.124 4.207 -4.415 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.310 4.228 -3.706 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.070 5.190 -5.121 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.360 4.724 -7.250 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.083 2.938 -7.977 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.808 1.505 -3.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.047 0.493 -6.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.172 -0.544 -3.269 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.767 -1.044 -5.077 1.00 0.00 H new ATOM 282 N TYR A 22 1.627 1.111 -4.640 1.00 0.00 N ATOM 283 CA TYR A 22 1.668 -0.176 -3.955 1.00 0.00 C ATOM 284 C TYR A 22 3.014 -0.384 -3.268 1.00 0.00 C ATOM 285 O TYR A 22 4.068 -0.117 -3.846 1.00 0.00 O ATOM 286 CB TYR A 22 1.407 -1.312 -4.945 1.00 0.00 C ATOM 287 CG TYR A 22 1.556 -2.689 -4.338 1.00 0.00 C ATOM 288 CD1 TYR A 22 0.616 -3.179 -3.439 1.00 0.00 C ATOM 289 CD2 TYR A 22 2.636 -3.500 -4.663 1.00 0.00 C ATOM 290 CE1 TYR A 22 0.749 -4.436 -2.882 1.00 0.00 C ATOM 291 CE2 TYR A 22 2.776 -4.759 -4.112 1.00 0.00 C ATOM 292 CZ TYR A 22 1.830 -5.223 -3.221 1.00 0.00 C ATOM 293 OH TYR A 22 1.966 -6.475 -2.669 1.00 0.00 O ATOM 0 H TYR A 22 1.782 1.058 -5.647 1.00 0.00 H new ATOM 0 HA TYR A 22 0.888 -0.180 -3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.399 -1.208 -5.347 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.096 -1.217 -5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.233 -2.567 -3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.379 -3.140 -5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.010 -4.801 -2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.621 -5.377 -4.377 1.00 0.00 H new ATOM 0 HH TYR A 22 2.780 -6.898 -3.014 1.00 0.00 H new ATOM 303 N TYR A 23 2.971 -0.864 -2.030 1.00 0.00 N ATOM 304 CA TYR A 23 4.185 -1.107 -1.261 1.00 0.00 C ATOM 305 C TYR A 23 4.218 -2.538 -0.732 1.00 0.00 C ATOM 306 O TYR A 23 3.265 -3.002 -0.107 1.00 0.00 O ATOM 307 CB TYR A 23 4.284 -0.119 -0.098 1.00 0.00 C ATOM 308 CG TYR A 23 4.783 1.249 -0.506 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.123 1.460 -0.807 1.00 0.00 C ATOM 310 CD2 TYR A 23 3.915 2.331 -0.588 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.584 2.708 -1.179 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.367 3.582 -0.961 1.00 0.00 C ATOM 313 CZ TYR A 23 5.702 3.765 -1.256 1.00 0.00 C ATOM 314 OH TYR A 23 6.156 5.010 -1.626 1.00 0.00 O ATOM 0 H TYR A 23 2.107 -1.093 -1.538 1.00 0.00 H new ATOM 0 HA TYR A 23 5.039 -0.964 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.302 -0.015 0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.952 -0.529 0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.816 0.634 -0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.869 2.192 -0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.629 2.855 -1.408 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.679 4.412 -1.021 1.00 0.00 H new ATOM 0 HH TYR A 23 6.587 5.442 -0.859 1.00 0.00 H new ATOM 324 N ASP A 24 5.322 -3.231 -0.989 1.00 0.00 N ATOM 325 CA ASP A 24 5.482 -4.608 -0.538 1.00 0.00 C ATOM 326 C ASP A 24 6.606 -4.717 0.488 1.00 0.00 C ATOM 327 O ASP A 24 6.509 -5.478 1.451 1.00 0.00 O ATOM 328 CB ASP A 24 5.769 -5.527 -1.727 1.00 0.00 C ATOM 329 CG ASP A 24 7.243 -5.579 -2.075 1.00 0.00 C ATOM 330 OD1 ASP A 24 7.975 -6.368 -1.440 1.00 0.00 O ATOM 331 OD2 ASP A 24 7.666 -4.831 -2.981 1.00 0.00 O ATOM 0 H ASP A 24 6.119 -2.862 -1.507 1.00 0.00 H new ATOM 0 HA ASP A 24 4.551 -4.919 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.417 -6.533 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.206 -5.181 -2.594 1.00 0.00 H new ATOM 336 N ARG A 25 7.672 -3.953 0.274 1.00 0.00 N ATOM 337 CA ARG A 25 8.815 -3.965 1.179 1.00 0.00 C ATOM 338 C ARG A 25 8.861 -2.690 2.015 1.00 0.00 C ATOM 339 O ARG A 25 9.936 -2.178 2.328 1.00 0.00 O ATOM 340 CB ARG A 25 10.116 -4.116 0.388 1.00 0.00 C ATOM 341 CG ARG A 25 10.316 -3.040 -0.666 1.00 0.00 C ATOM 342 CD ARG A 25 11.791 -2.818 -0.963 1.00 0.00 C ATOM 343 NE ARG A 25 12.298 -3.761 -1.956 1.00 0.00 N ATOM 344 CZ ARG A 25 13.580 -3.860 -2.288 1.00 0.00 C ATOM 345 NH1 ARG A 25 14.481 -3.077 -1.709 1.00 0.00 N ATOM 346 NH2 ARG A 25 13.964 -4.743 -3.201 1.00 0.00 N ATOM 0 H ARG A 25 7.768 -3.318 -0.518 1.00 0.00 H new ATOM 0 HA ARG A 25 8.705 -4.816 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.957 -4.095 1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.126 -5.093 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.798 -3.326 -1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.868 -2.107 -0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.939 -1.799 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.365 -2.918 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 25 11.631 -4.377 -2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.190 -2.397 -1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.465 -3.155 -1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.274 -5.347 -3.649 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.949 -4.818 -3.455 1.00 0.00 H new ATOM 360 N LEU A 26 7.687 -2.182 2.374 1.00 0.00 N ATOM 361 CA LEU A 26 7.592 -0.966 3.174 1.00 0.00 C ATOM 362 C LEU A 26 7.125 -1.282 4.591 1.00 0.00 C ATOM 363 O LEU A 26 6.359 -2.221 4.809 1.00 0.00 O ATOM 364 CB LEU A 26 6.630 0.026 2.517 1.00 0.00 C ATOM 365 CG LEU A 26 6.702 1.467 3.026 1.00 0.00 C ATOM 366 CD1 LEU A 26 7.905 2.183 2.432 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.418 2.213 2.695 1.00 0.00 C ATOM 0 H LEU A 26 6.788 -2.593 2.124 1.00 0.00 H new ATOM 0 HA LEU A 26 8.584 -0.518 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.821 0.031 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.612 -0.338 2.658 1.00 0.00 H new ATOM 0 HG LEU A 26 6.817 1.445 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.940 3.207 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.818 1.661 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.821 2.196 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.486 3.236 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.273 2.226 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.574 1.712 3.169 1.00 0.00 H new ATOM 379 N SER A 27 7.590 -0.490 5.552 1.00 0.00 N ATOM 380 CA SER A 27 7.222 -0.686 6.949 1.00 0.00 C ATOM 381 C SER A 27 6.661 0.600 7.549 1.00 0.00 C ATOM 382 O SER A 27 6.739 1.667 6.940 1.00 0.00 O ATOM 383 CB SER A 27 8.434 -1.153 7.758 1.00 0.00 C ATOM 384 OG SER A 27 8.544 -2.566 7.743 1.00 0.00 O ATOM 0 H SER A 27 8.222 0.293 5.388 1.00 0.00 H new ATOM 0 HA SER A 27 6.449 -1.453 6.991 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.342 -0.710 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.345 -0.803 8.786 1.00 0.00 H new ATOM 0 HG SER A 27 9.327 -2.839 8.265 1.00 0.00 H new ATOM 390 N ARG A 28 6.097 0.490 8.747 1.00 0.00 N ATOM 391 CA ARG A 28 5.522 1.643 9.430 1.00 0.00 C ATOM 392 C ARG A 28 6.595 2.683 9.739 1.00 0.00 C ATOM 393 O ARG A 28 6.312 3.877 9.816 1.00 0.00 O ATOM 394 CB ARG A 28 4.833 1.205 10.724 1.00 0.00 C ATOM 395 CG ARG A 28 5.738 0.419 11.659 1.00 0.00 C ATOM 396 CD ARG A 28 4.947 -0.226 12.786 1.00 0.00 C ATOM 397 NE ARG A 28 5.764 -1.152 13.567 1.00 0.00 N ATOM 398 CZ ARG A 28 6.617 -0.765 14.508 1.00 0.00 C ATOM 399 NH1 ARG A 28 6.765 0.524 14.784 1.00 0.00 N ATOM 400 NH2 ARG A 28 7.325 -1.667 15.176 1.00 0.00 N ATOM 0 H ARG A 28 6.026 -0.386 9.265 1.00 0.00 H new ATOM 0 HA ARG A 28 4.783 2.094 8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.464 2.088 11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.964 0.595 10.475 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.265 -0.351 11.095 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.495 1.082 12.077 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.551 0.550 13.441 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.092 -0.759 12.370 1.00 0.00 H new ATOM 0 HE ARG A 28 5.674 -2.150 13.379 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.223 1.221 14.273 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.421 0.819 15.507 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.214 -2.659 14.967 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.980 -1.368 15.899 1.00 0.00 H new ATOM 414 N GLY A 29 7.828 2.218 9.915 1.00 0.00 N ATOM 415 CA GLY A 29 8.925 3.121 10.214 1.00 0.00 C ATOM 416 C GLY A 29 9.243 4.049 9.059 1.00 0.00 C ATOM 417 O GLY A 29 9.795 5.131 9.258 1.00 0.00 O ATOM 0 H GLY A 29 8.087 1.233 9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.674 3.714 11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.812 2.539 10.464 1.00 0.00 H new ATOM 421 N GLU A 30 8.896 3.625 7.848 1.00 0.00 N ATOM 422 CA GLU A 30 9.152 4.426 6.656 1.00 0.00 C ATOM 423 C GLU A 30 7.861 5.051 6.135 1.00 0.00 C ATOM 424 O GLU A 30 7.788 6.261 5.922 1.00 0.00 O ATOM 425 CB GLU A 30 9.793 3.566 5.565 1.00 0.00 C ATOM 426 CG GLU A 30 11.132 2.972 5.966 1.00 0.00 C ATOM 427 CD GLU A 30 11.837 2.289 4.810 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.557 2.983 4.062 1.00 0.00 O ATOM 429 OE2 GLU A 30 11.669 1.061 4.654 1.00 0.00 O ATOM 0 H GLU A 30 8.437 2.732 7.666 1.00 0.00 H new ATOM 0 HA GLU A 30 9.840 5.227 6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.110 2.758 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.928 4.172 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.771 3.761 6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.980 2.252 6.770 1.00 0.00 H new ATOM 436 N ALA A 31 6.847 4.217 5.930 1.00 0.00 N ATOM 437 CA ALA A 31 5.560 4.688 5.434 1.00 0.00 C ATOM 438 C ALA A 31 5.168 6.008 6.090 1.00 0.00 C ATOM 439 O ALA A 31 5.018 7.026 5.415 1.00 0.00 O ATOM 440 CB ALA A 31 4.486 3.638 5.676 1.00 0.00 C ATOM 0 H ALA A 31 6.892 3.212 6.100 1.00 0.00 H new ATOM 0 HA ALA A 31 5.652 4.859 4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.530 4.003 5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.753 2.718 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.405 3.440 6.745 1.00 0.00 H new ATOM 446 N GLU A 32 5.004 5.983 7.409 1.00 0.00 N ATOM 447 CA GLU A 32 4.628 7.178 8.154 1.00 0.00 C ATOM 448 C GLU A 32 5.528 8.354 7.786 1.00 0.00 C ATOM 449 O GLU A 32 5.049 9.454 7.509 1.00 0.00 O ATOM 450 CB GLU A 32 4.706 6.914 9.659 1.00 0.00 C ATOM 451 CG GLU A 32 3.585 6.029 10.180 1.00 0.00 C ATOM 452 CD GLU A 32 3.727 5.718 11.658 1.00 0.00 C ATOM 453 OE1 GLU A 32 4.229 6.586 12.402 1.00 0.00 O ATOM 454 OE2 GLU A 32 3.335 4.606 12.070 1.00 0.00 O ATOM 0 H GLU A 32 5.126 5.149 7.983 1.00 0.00 H new ATOM 0 HA GLU A 32 3.601 7.431 7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.663 6.446 9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.682 7.867 10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.628 6.521 10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.571 5.096 9.616 1.00 0.00 H new ATOM 461 N ASP A 33 6.835 8.114 7.787 1.00 0.00 N ATOM 462 CA ASP A 33 7.803 9.152 7.453 1.00 0.00 C ATOM 463 C ASP A 33 7.437 9.834 6.139 1.00 0.00 C ATOM 464 O ASP A 33 7.403 11.061 6.054 1.00 0.00 O ATOM 465 CB ASP A 33 9.209 8.556 7.358 1.00 0.00 C ATOM 466 CG ASP A 33 10.288 9.561 7.709 1.00 0.00 C ATOM 467 OD1 ASP A 33 10.072 10.770 7.479 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.349 9.139 8.214 1.00 0.00 O ATOM 0 H ASP A 33 7.248 7.210 8.015 1.00 0.00 H new ATOM 0 HA ASP A 33 7.786 9.899 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.283 7.699 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.376 8.186 6.346 1.00 0.00 H new ATOM 473 N MET A 34 7.164 9.030 5.116 1.00 0.00 N ATOM 474 CA MET A 34 6.800 9.557 3.806 1.00 0.00 C ATOM 475 C MET A 34 5.674 10.579 3.925 1.00 0.00 C ATOM 476 O MET A 34 5.803 11.716 3.469 1.00 0.00 O ATOM 477 CB MET A 34 6.376 8.420 2.875 1.00 0.00 C ATOM 478 CG MET A 34 7.367 7.268 2.833 1.00 0.00 C ATOM 479 SD MET A 34 7.167 6.232 1.370 1.00 0.00 S ATOM 480 CE MET A 34 5.476 5.679 1.575 1.00 0.00 C ATOM 0 H MET A 34 7.188 8.012 5.169 1.00 0.00 H new ATOM 0 HA MET A 34 7.675 10.054 3.386 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.405 8.042 3.195 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.248 8.815 1.867 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.382 7.666 2.856 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.244 6.656 3.726 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.437 4.592 1.499 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.108 5.988 2.553 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.852 6.120 0.797 1.00 0.00 H new ATOM 490 N LEU A 35 4.570 10.168 4.539 1.00 0.00 N ATOM 491 CA LEU A 35 3.420 11.048 4.718 1.00 0.00 C ATOM 492 C LEU A 35 3.842 12.376 5.337 1.00 0.00 C ATOM 493 O LEU A 35 3.357 13.437 4.946 1.00 0.00 O ATOM 494 CB LEU A 35 2.368 10.372 5.599 1.00 0.00 C ATOM 495 CG LEU A 35 1.435 9.386 4.895 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.735 10.058 3.723 1.00 0.00 C ATOM 497 CD2 LEU A 35 2.208 8.162 4.426 1.00 0.00 C ATOM 0 H LEU A 35 4.447 9.231 4.922 1.00 0.00 H new ATOM 0 HA LEU A 35 2.989 11.247 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.881 9.845 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.760 11.148 6.064 1.00 0.00 H new ATOM 0 HG LEU A 35 0.677 9.061 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.075 9.341 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.149 10.903 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.479 10.412 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.528 7.471 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.988 8.469 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.662 7.667 5.285 1.00 0.00 H new ATOM 509 N MET A 36 4.751 12.309 6.305 1.00 0.00 N ATOM 510 CA MET A 36 5.241 13.508 6.976 1.00 0.00 C ATOM 511 C MET A 36 5.948 14.433 5.991 1.00 0.00 C ATOM 512 O MET A 36 5.993 15.647 6.187 1.00 0.00 O ATOM 513 CB MET A 36 6.194 13.129 8.112 1.00 0.00 C ATOM 514 CG MET A 36 5.615 12.105 9.075 1.00 0.00 C ATOM 515 SD MET A 36 6.258 12.287 10.750 1.00 0.00 S ATOM 516 CE MET A 36 4.791 11.937 11.716 1.00 0.00 C ATOM 0 H MET A 36 5.163 11.439 6.642 1.00 0.00 H new ATOM 0 HA MET A 36 4.383 14.037 7.392 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.116 12.734 7.685 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.460 14.028 8.667 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.530 12.203 9.094 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.839 11.102 8.711 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.028 12.010 12.777 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.012 12.657 11.468 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.439 10.930 11.491 1.00 0.00 H new ATOM 526 N ARG A 37 6.499 13.850 4.931 1.00 0.00 N ATOM 527 CA ARG A 37 7.205 14.622 3.915 1.00 0.00 C ATOM 528 C ARG A 37 6.223 15.259 2.936 1.00 0.00 C ATOM 529 O ARG A 37 6.332 16.442 2.614 1.00 0.00 O ATOM 530 CB ARG A 37 8.190 13.730 3.159 1.00 0.00 C ATOM 531 CG ARG A 37 9.362 13.261 4.005 1.00 0.00 C ATOM 532 CD ARG A 37 10.099 12.106 3.347 1.00 0.00 C ATOM 533 NE ARG A 37 11.497 12.040 3.762 1.00 0.00 N ATOM 534 CZ ARG A 37 12.296 11.013 3.495 1.00 0.00 C ATOM 535 NH1 ARG A 37 11.836 9.971 2.817 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.557 11.027 3.906 1.00 0.00 N ATOM 0 H ARG A 37 6.470 12.846 4.753 1.00 0.00 H new ATOM 0 HA ARG A 37 7.757 15.416 4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.658 12.859 2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.572 14.275 2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.052 14.090 4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.003 12.952 4.987 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.602 11.169 3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.047 12.214 2.264 1.00 0.00 H new ATOM 0 HE ARG A 37 11.882 12.826 4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.867 9.957 2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.451 9.183 2.613 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.914 11.827 4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.169 10.238 3.700 1.00 0.00 H new ATOM 550 N ILE A 38 5.266 14.466 2.466 1.00 0.00 N ATOM 551 CA ILE A 38 4.265 14.952 1.524 1.00 0.00 C ATOM 552 C ILE A 38 3.619 16.239 2.025 1.00 0.00 C ATOM 553 O ILE A 38 2.814 16.238 2.957 1.00 0.00 O ATOM 554 CB ILE A 38 3.166 13.901 1.278 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.782 12.505 1.166 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.380 14.242 0.021 1.00 0.00 C ATOM 557 CD1 ILE A 38 5.045 12.466 0.336 1.00 0.00 C ATOM 0 H ILE A 38 5.163 13.484 2.722 1.00 0.00 H new ATOM 0 HA ILE A 38 4.784 15.149 0.586 1.00 0.00 H new ATOM 0 HB ILE A 38 2.480 13.908 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.003 12.133 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.049 11.827 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.607 13.490 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.916 15.221 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.053 14.259 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.426 11.445 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.826 12.807 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.795 13.118 0.784 1.00 0.00 H new ATOM 569 N PRO A 39 3.977 17.366 1.392 1.00 0.00 N ATOM 570 CA PRO A 39 3.442 18.682 1.755 1.00 0.00 C ATOM 571 C PRO A 39 1.969 18.829 1.390 1.00 0.00 C ATOM 572 O PRO A 39 1.378 19.894 1.573 1.00 0.00 O ATOM 573 CB PRO A 39 4.296 19.651 0.933 1.00 0.00 C ATOM 574 CG PRO A 39 4.764 18.849 -0.232 1.00 0.00 C ATOM 575 CD PRO A 39 4.932 17.443 0.274 1.00 0.00 C ATOM 0 HA PRO A 39 3.488 18.859 2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.715 20.515 0.611 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.136 20.030 1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.041 18.887 -1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.705 19.239 -0.621 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.706 16.708 -0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.953 17.254 0.604 1.00 0.00 H new ATOM 583 N ARG A 40 1.382 17.755 0.873 1.00 0.00 N ATOM 584 CA ARG A 40 -0.023 17.765 0.482 1.00 0.00 C ATOM 585 C ARG A 40 -0.909 17.281 1.626 1.00 0.00 C ATOM 586 O ARG A 40 -0.549 16.357 2.355 1.00 0.00 O ATOM 587 CB ARG A 40 -0.237 16.886 -0.751 1.00 0.00 C ATOM 588 CG ARG A 40 0.505 17.375 -1.984 1.00 0.00 C ATOM 589 CD ARG A 40 -0.235 18.519 -2.662 1.00 0.00 C ATOM 590 NE ARG A 40 0.651 19.322 -3.500 1.00 0.00 N ATOM 591 CZ ARG A 40 0.263 20.423 -4.135 1.00 0.00 C ATOM 592 NH1 ARG A 40 -0.988 20.849 -4.026 1.00 0.00 N ATOM 593 NH2 ARG A 40 1.128 21.100 -4.879 1.00 0.00 N ATOM 0 H ARG A 40 1.857 16.866 0.715 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.300 18.791 0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.085 15.870 -0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.303 16.840 -0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.505 17.704 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.627 16.551 -2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.044 18.117 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.692 19.155 -1.904 1.00 0.00 H new ATOM 0 HE ARG A 40 1.620 19.022 -3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.655 20.331 -3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.283 21.694 -4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.091 20.775 -4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.830 21.945 -5.366 1.00 0.00 H new ATOM 607 N ASP A 41 -2.069 17.912 1.776 1.00 0.00 N ATOM 608 CA ASP A 41 -3.007 17.545 2.831 1.00 0.00 C ATOM 609 C ASP A 41 -4.068 16.584 2.304 1.00 0.00 C ATOM 610 O ASP A 41 -5.136 17.003 1.860 1.00 0.00 O ATOM 611 CB ASP A 41 -3.675 18.796 3.405 1.00 0.00 C ATOM 612 CG ASP A 41 -4.015 19.814 2.335 1.00 0.00 C ATOM 613 OD1 ASP A 41 -3.105 20.557 1.911 1.00 0.00 O ATOM 614 OD2 ASP A 41 -5.192 19.868 1.921 1.00 0.00 O ATOM 0 H ASP A 41 -2.382 18.679 1.181 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.449 17.044 3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.585 18.509 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.012 19.253 4.140 1.00 0.00 H new ATOM 619 N GLY A 42 -3.764 15.290 2.355 1.00 0.00 N ATOM 620 CA GLY A 42 -4.700 14.289 1.879 1.00 0.00 C ATOM 621 C GLY A 42 -4.020 13.186 1.093 1.00 0.00 C ATOM 622 O GLY A 42 -4.522 12.754 0.055 1.00 0.00 O ATOM 0 H GLY A 42 -2.886 14.918 2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.225 13.854 2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.451 14.768 1.251 1.00 0.00 H new ATOM 626 N ALA A 43 -2.873 12.730 1.586 1.00 0.00 N ATOM 627 CA ALA A 43 -2.123 11.671 0.923 1.00 0.00 C ATOM 628 C ALA A 43 -2.404 10.316 1.563 1.00 0.00 C ATOM 629 O ALA A 43 -2.851 10.239 2.707 1.00 0.00 O ATOM 630 CB ALA A 43 -0.633 11.976 0.961 1.00 0.00 C ATOM 0 H ALA A 43 -2.443 13.078 2.443 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.447 11.627 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.085 11.177 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.442 12.920 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.303 12.050 1.997 1.00 0.00 H new ATOM 636 N PHE A 44 -2.140 9.248 0.817 1.00 0.00 N ATOM 637 CA PHE A 44 -2.366 7.895 1.311 1.00 0.00 C ATOM 638 C PHE A 44 -1.383 6.914 0.679 1.00 0.00 C ATOM 639 O PHE A 44 -0.752 7.215 -0.335 1.00 0.00 O ATOM 640 CB PHE A 44 -3.802 7.456 1.019 1.00 0.00 C ATOM 641 CG PHE A 44 -3.996 6.928 -0.374 1.00 0.00 C ATOM 642 CD1 PHE A 44 -3.743 5.598 -0.666 1.00 0.00 C ATOM 643 CD2 PHE A 44 -4.431 7.763 -1.391 1.00 0.00 C ATOM 644 CE1 PHE A 44 -3.920 5.109 -1.947 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.610 7.279 -2.673 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.354 5.951 -2.952 1.00 0.00 C ATOM 0 H PHE A 44 -1.769 9.294 -0.132 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.207 7.897 2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.091 6.686 1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.471 8.302 1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.403 4.935 0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.632 8.803 -1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.719 4.070 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.950 7.940 -3.457 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.493 5.572 -3.954 1.00 0.00 H new ATOM 656 N LEU A 45 -1.258 5.738 1.285 1.00 0.00 N ATOM 657 CA LEU A 45 -0.352 4.711 0.783 1.00 0.00 C ATOM 658 C LEU A 45 -0.765 3.330 1.282 1.00 0.00 C ATOM 659 O LEU A 45 -1.284 3.189 2.390 1.00 0.00 O ATOM 660 CB LEU A 45 1.083 5.014 1.215 1.00 0.00 C ATOM 661 CG LEU A 45 1.514 4.439 2.565 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.073 3.035 2.393 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.540 5.346 3.228 1.00 0.00 C ATOM 0 H LEU A 45 -1.773 5.472 2.125 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.405 4.715 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.759 4.635 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.211 6.096 1.246 1.00 0.00 H new ATOM 0 HG LEU A 45 0.638 4.383 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.374 2.642 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.308 2.389 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.938 3.066 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.835 4.921 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.416 5.435 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.105 6.333 3.387 1.00 0.00 H new ATOM 675 N ILE A 46 -0.528 2.314 0.459 1.00 0.00 N ATOM 676 CA ILE A 46 -0.872 0.944 0.819 1.00 0.00 C ATOM 677 C ILE A 46 0.370 0.061 0.868 1.00 0.00 C ATOM 678 O ILE A 46 1.102 -0.054 -0.115 1.00 0.00 O ATOM 679 CB ILE A 46 -1.881 0.338 -0.175 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.133 1.213 -0.262 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.247 -1.079 0.241 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.079 0.805 -1.370 1.00 0.00 C ATOM 0 H ILE A 46 -0.099 2.414 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.327 0.982 1.809 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.419 0.299 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.662 1.172 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.832 2.249 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.961 -1.494 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.349 -1.697 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.694 -1.062 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.944 1.468 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.566 0.873 -2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.409 -0.221 -1.207 1.00 0.00 H new ATOM 694 N ARG A 47 0.599 -0.564 2.018 1.00 0.00 N ATOM 695 CA ARG A 47 1.752 -1.439 2.196 1.00 0.00 C ATOM 696 C ARG A 47 1.327 -2.791 2.760 1.00 0.00 C ATOM 697 O ARG A 47 0.356 -2.886 3.511 1.00 0.00 O ATOM 698 CB ARG A 47 2.776 -0.786 3.126 1.00 0.00 C ATOM 699 CG ARG A 47 2.244 -0.518 4.525 1.00 0.00 C ATOM 700 CD ARG A 47 3.159 0.418 5.299 1.00 0.00 C ATOM 701 NE ARG A 47 2.669 0.668 6.652 1.00 0.00 N ATOM 702 CZ ARG A 47 2.794 -0.198 7.651 1.00 0.00 C ATOM 703 NH1 ARG A 47 3.391 -1.365 7.451 1.00 0.00 N ATOM 704 NH2 ARG A 47 2.321 0.102 8.854 1.00 0.00 N ATOM 0 H ARG A 47 0.002 -0.481 2.841 1.00 0.00 H new ATOM 0 HA ARG A 47 2.208 -1.599 1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.653 -1.430 3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.106 0.155 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.247 -0.082 4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.145 -1.460 5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.159 -0.013 5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.246 1.364 4.764 1.00 0.00 H new ATOM 0 HE ARG A 47 2.205 1.557 6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.756 -1.600 6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.485 -2.028 8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.861 0.998 9.012 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.418 -0.564 9.621 1.00 0.00 H new ATOM 718 N LYS A 48 2.060 -3.837 2.392 1.00 0.00 N ATOM 719 CA LYS A 48 1.760 -5.185 2.860 1.00 0.00 C ATOM 720 C LYS A 48 2.452 -5.465 4.190 1.00 0.00 C ATOM 721 O LYS A 48 3.596 -5.062 4.403 1.00 0.00 O ATOM 722 CB LYS A 48 2.197 -6.217 1.819 1.00 0.00 C ATOM 723 CG LYS A 48 1.934 -7.653 2.239 1.00 0.00 C ATOM 724 CD LYS A 48 3.104 -8.229 3.020 1.00 0.00 C ATOM 725 CE LYS A 48 4.121 -8.884 2.098 1.00 0.00 C ATOM 726 NZ LYS A 48 5.404 -9.165 2.799 1.00 0.00 N ATOM 0 H LYS A 48 2.867 -3.777 1.771 1.00 0.00 H new ATOM 0 HA LYS A 48 0.683 -5.260 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.675 -6.020 0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.262 -6.094 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.032 -7.695 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.750 -8.264 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.587 -7.436 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.738 -8.962 3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.710 -9.814 1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.309 -8.234 1.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.071 -9.611 2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.809 -8.274 3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.229 -9.806 3.599 1.00 0.00 H new ATOM 740 N ARG A 49 1.751 -6.157 5.082 1.00 0.00 N ATOM 741 CA ARG A 49 2.299 -6.491 6.392 1.00 0.00 C ATOM 742 C ARG A 49 3.100 -7.788 6.331 1.00 0.00 C ATOM 743 O ARG A 49 2.563 -8.845 6.003 1.00 0.00 O ATOM 744 CB ARG A 49 1.174 -6.621 7.420 1.00 0.00 C ATOM 745 CG ARG A 49 0.263 -5.406 7.483 1.00 0.00 C ATOM 746 CD ARG A 49 0.802 -4.354 8.440 1.00 0.00 C ATOM 747 NE ARG A 49 0.854 -4.841 9.816 1.00 0.00 N ATOM 748 CZ ARG A 49 1.577 -4.268 10.771 1.00 0.00 C ATOM 749 NH1 ARG A 49 2.306 -3.194 10.502 1.00 0.00 N ATOM 750 NH2 ARG A 49 1.573 -4.770 11.999 1.00 0.00 N ATOM 0 H ARG A 49 0.803 -6.497 4.922 1.00 0.00 H new ATOM 0 HA ARG A 49 2.968 -5.685 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.576 -7.501 7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.611 -6.789 8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.160 -4.975 6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.733 -5.713 7.802 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.801 -4.054 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.173 -3.465 8.394 1.00 0.00 H new ATOM 0 HE ARG A 49 0.305 -5.666 10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.313 -2.805 9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.860 -2.756 11.238 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.014 -5.597 12.210 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.129 -4.329 12.732 1.00 0.00 H new ATOM 812 N SER A 54 -2.690 -10.020 5.835 1.00 0.00 N ATOM 813 CA SER A 54 -3.408 -8.775 6.085 1.00 0.00 C ATOM 814 C SER A 54 -2.606 -7.576 5.587 1.00 0.00 C ATOM 815 O SER A 54 -1.375 -7.582 5.619 1.00 0.00 O ATOM 816 CB SER A 54 -3.701 -8.622 7.579 1.00 0.00 C ATOM 817 OG SER A 54 -4.581 -9.636 8.032 1.00 0.00 O ATOM 0 HA SER A 54 -4.351 -8.812 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.769 -8.667 8.142 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.141 -7.643 7.768 1.00 0.00 H new ATOM 0 HG SER A 54 -4.458 -10.442 7.489 1.00 0.00 H new ATOM 823 N TYR A 55 -3.313 -6.550 5.127 1.00 0.00 N ATOM 824 CA TYR A 55 -2.668 -5.345 4.619 1.00 0.00 C ATOM 825 C TYR A 55 -3.057 -4.127 5.452 1.00 0.00 C ATOM 826 O TYR A 55 -3.781 -4.243 6.440 1.00 0.00 O ATOM 827 CB TYR A 55 -3.047 -5.117 3.155 1.00 0.00 C ATOM 828 CG TYR A 55 -2.737 -6.294 2.259 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.652 -7.327 2.094 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.530 -6.373 1.575 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.372 -8.405 1.277 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.242 -7.447 0.755 1.00 0.00 C ATOM 833 CZ TYR A 55 -2.167 -8.460 0.609 1.00 0.00 C ATOM 834 OH TYR A 55 -1.885 -9.532 -0.207 1.00 0.00 O ATOM 0 H TYR A 55 -4.332 -6.528 5.095 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.589 -5.483 4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.113 -4.896 3.095 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.518 -4.239 2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.598 -7.286 2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.804 -5.581 1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.093 -9.201 1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.298 -7.493 0.232 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.996 -9.416 -0.604 1.00 0.00 H new ATOM 844 N ALA A 56 -2.571 -2.960 5.044 1.00 0.00 N ATOM 845 CA ALA A 56 -2.868 -1.719 5.750 1.00 0.00 C ATOM 846 C ALA A 56 -2.728 -0.515 4.826 1.00 0.00 C ATOM 847 O ALA A 56 -2.035 -0.577 3.810 1.00 0.00 O ATOM 848 CB ALA A 56 -1.957 -1.569 6.960 1.00 0.00 C ATOM 0 H ALA A 56 -1.970 -2.847 4.228 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.902 -1.762 6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.190 -0.638 7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.110 -2.409 7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.917 -1.552 6.633 1.00 0.00 H new ATOM 854 N ILE A 57 -3.389 0.580 5.185 1.00 0.00 N ATOM 855 CA ILE A 57 -3.337 1.800 4.388 1.00 0.00 C ATOM 856 C ILE A 57 -3.071 3.019 5.264 1.00 0.00 C ATOM 857 O ILE A 57 -3.831 3.313 6.187 1.00 0.00 O ATOM 858 CB ILE A 57 -4.647 2.019 3.608 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.491 3.178 2.622 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.797 2.284 4.568 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.616 3.270 1.615 1.00 0.00 C ATOM 0 H ILE A 57 -3.967 0.648 6.023 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.517 1.679 3.680 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.872 1.114 3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.435 4.113 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.546 3.067 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.716 2.437 4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.919 1.430 5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.581 3.175 5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.439 4.114 0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.659 2.350 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.562 3.412 2.138 1.00 0.00 H new ATOM 873 N THR A 58 -1.985 3.727 4.968 1.00 0.00 N ATOM 874 CA THR A 58 -1.618 4.916 5.728 1.00 0.00 C ATOM 875 C THR A 58 -2.022 6.187 4.990 1.00 0.00 C ATOM 876 O THR A 58 -2.172 6.186 3.768 1.00 0.00 O ATOM 877 CB THR A 58 -0.104 4.958 6.007 1.00 0.00 C ATOM 878 OG1 THR A 58 0.355 3.664 6.417 1.00 0.00 O ATOM 879 CG2 THR A 58 0.219 5.981 7.085 1.00 0.00 C ATOM 0 H THR A 58 -1.345 3.498 4.208 1.00 0.00 H new ATOM 0 HA THR A 58 -2.154 4.863 6.676 1.00 0.00 H new ATOM 0 HB THR A 58 0.405 5.249 5.088 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.190 3.547 7.376 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.294 5.993 7.265 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.105 6.969 6.758 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.300 5.715 8.006 1.00 0.00 H new ATOM 887 N PHE A 59 -2.197 7.270 5.740 1.00 0.00 N ATOM 888 CA PHE A 59 -2.585 8.549 5.156 1.00 0.00 C ATOM 889 C PHE A 59 -2.225 9.703 6.087 1.00 0.00 C ATOM 890 O PHE A 59 -2.055 9.513 7.292 1.00 0.00 O ATOM 891 CB PHE A 59 -4.086 8.566 4.862 1.00 0.00 C ATOM 892 CG PHE A 59 -4.896 7.756 5.834 1.00 0.00 C ATOM 893 CD1 PHE A 59 -4.925 6.373 5.749 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.629 8.377 6.832 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.670 5.626 6.641 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.376 7.635 7.728 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.395 6.257 7.632 1.00 0.00 C ATOM 0 H PHE A 59 -2.076 7.288 6.753 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.038 8.674 4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.440 9.597 4.877 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.255 8.186 3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.359 5.874 4.977 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.617 9.454 6.911 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.685 4.549 6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.943 8.132 8.501 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.976 5.674 8.331 1.00 0.00 H new ATOM 907 N ARG A 60 -2.110 10.900 5.520 1.00 0.00 N ATOM 908 CA ARG A 60 -1.769 12.084 6.298 1.00 0.00 C ATOM 909 C ARG A 60 -3.003 12.947 6.545 1.00 0.00 C ATOM 910 O ARG A 60 -3.714 13.313 5.609 1.00 0.00 O ATOM 911 CB ARG A 60 -0.697 12.903 5.576 1.00 0.00 C ATOM 912 CG ARG A 60 -0.365 14.216 6.268 1.00 0.00 C ATOM 913 CD ARG A 60 0.568 15.069 5.424 1.00 0.00 C ATOM 914 NE ARG A 60 0.636 16.446 5.905 1.00 0.00 N ATOM 915 CZ ARG A 60 1.405 16.834 6.917 1.00 0.00 C ATOM 916 NH1 ARG A 60 2.168 15.953 7.550 1.00 0.00 N ATOM 917 NH2 ARG A 60 1.413 18.105 7.297 1.00 0.00 N ATOM 0 H ARG A 60 -2.248 11.075 4.525 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.379 11.755 7.261 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.211 12.305 5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.034 13.112 4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.284 14.767 6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.099 14.013 7.233 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.567 14.632 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.227 15.063 4.389 1.00 0.00 H new ATOM 0 HE ARG A 60 0.062 17.148 5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.166 14.975 7.260 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.757 16.253 8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.828 18.786 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.004 18.401 8.074 1.00 0.00 H new ATOM 931 N ALA A 61 -3.251 13.268 7.811 1.00 0.00 N ATOM 932 CA ALA A 61 -4.398 14.088 8.180 1.00 0.00 C ATOM 933 C ALA A 61 -3.954 15.452 8.697 1.00 0.00 C ATOM 934 O ALA A 61 -3.808 15.652 9.903 1.00 0.00 O ATOM 935 CB ALA A 61 -5.242 13.374 9.226 1.00 0.00 C ATOM 0 H ALA A 61 -2.673 12.973 8.598 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.003 14.246 7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.095 13.998 9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.597 12.426 8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.639 13.186 10.114 1.00 0.00 H new ATOM 941 N ARG A 62 -3.739 16.387 7.778 1.00 0.00 N ATOM 942 CA ARG A 62 -3.309 17.732 8.141 1.00 0.00 C ATOM 943 C ARG A 62 -2.181 17.683 9.168 1.00 0.00 C ATOM 944 O ARG A 62 -2.172 18.446 10.132 1.00 0.00 O ATOM 945 CB ARG A 62 -4.486 18.533 8.699 1.00 0.00 C ATOM 946 CG ARG A 62 -5.567 18.823 7.671 1.00 0.00 C ATOM 947 CD ARG A 62 -5.199 20.010 6.795 1.00 0.00 C ATOM 948 NE ARG A 62 -6.298 20.404 5.918 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.222 21.408 5.050 1.00 0.00 C ATOM 950 NH1 ARG A 62 -5.105 22.114 4.945 1.00 0.00 N ATOM 951 NH2 ARG A 62 -7.265 21.706 4.286 1.00 0.00 N ATOM 0 H ARG A 62 -3.856 16.238 6.776 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.938 18.223 7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.926 17.984 9.531 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.115 19.476 9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.722 17.943 7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.510 19.023 8.180 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.919 20.853 7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.326 19.759 6.192 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.172 19.880 5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.301 21.887 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.049 22.884 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.126 21.165 4.364 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.206 22.477 3.620 1.00 0.00 H new ATOM 965 N GLY A 63 -1.230 16.778 8.953 1.00 0.00 N ATOM 966 CA GLY A 63 -0.112 16.646 9.868 1.00 0.00 C ATOM 967 C GLY A 63 0.068 15.224 10.363 1.00 0.00 C ATOM 968 O GLY A 63 0.993 14.526 9.948 1.00 0.00 O ATOM 0 H GLY A 63 -1.215 16.135 8.162 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.801 16.972 9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.264 17.308 10.721 1.00 0.00 H new ATOM 972 N LYS A 64 -0.819 14.794 11.254 1.00 0.00 N ATOM 973 CA LYS A 64 -0.755 13.446 11.808 1.00 0.00 C ATOM 974 C LYS A 64 -0.850 12.399 10.703 1.00 0.00 C ATOM 975 O LYS A 64 -1.086 12.728 9.541 1.00 0.00 O ATOM 976 CB LYS A 64 -1.881 13.236 12.823 1.00 0.00 C ATOM 977 CG LYS A 64 -3.271 13.336 12.219 1.00 0.00 C ATOM 978 CD LYS A 64 -4.350 13.071 13.255 1.00 0.00 C ATOM 979 CE LYS A 64 -4.657 14.318 14.071 1.00 0.00 C ATOM 980 NZ LYS A 64 -5.567 14.023 15.213 1.00 0.00 N ATOM 0 H LYS A 64 -1.591 15.359 11.608 1.00 0.00 H new ATOM 0 HA LYS A 64 0.205 13.332 12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.764 12.256 13.285 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.785 13.976 13.618 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.412 14.329 11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.366 12.620 11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.257 12.728 12.758 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.028 12.270 13.920 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.727 14.743 14.448 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.114 15.070 13.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.752 14.898 15.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.464 13.641 14.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.121 13.324 15.841 1.00 0.00 H new ATOM 994 N VAL A 65 -0.666 11.136 11.074 1.00 0.00 N ATOM 995 CA VAL A 65 -0.734 10.040 10.115 1.00 0.00 C ATOM 996 C VAL A 65 -1.467 8.840 10.703 1.00 0.00 C ATOM 997 O VAL A 65 -0.962 8.169 11.603 1.00 0.00 O ATOM 998 CB VAL A 65 0.672 9.600 9.665 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.580 8.453 8.670 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.433 10.774 9.069 1.00 0.00 C ATOM 0 H VAL A 65 -0.469 10.847 12.032 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.285 10.410 9.250 1.00 0.00 H new ATOM 0 HB VAL A 65 1.220 9.248 10.539 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.583 8.156 8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.077 7.606 9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.014 8.774 7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.424 10.444 8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.890 11.159 8.206 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.531 11.561 9.817 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.663 8.573 10.187 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.467 7.452 10.659 1.00 0.00 C ATOM 1012 C LYS A 66 -3.316 6.247 9.735 1.00 0.00 C ATOM 1013 O LYS A 66 -2.601 6.306 8.734 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.940 7.857 10.750 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.260 8.721 11.957 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.435 7.883 13.212 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.405 8.534 14.186 1.00 0.00 C ATOM 1018 NZ LYS A 66 -7.814 8.132 13.917 1.00 0.00 N ATOM 0 H LYS A 66 -3.096 9.118 9.442 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.111 7.174 11.651 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.216 8.396 9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.554 6.957 10.785 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.459 9.444 12.110 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.171 9.289 11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.800 6.892 12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.468 7.745 13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.137 8.257 15.206 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.317 9.618 14.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.408 8.380 14.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.162 8.629 13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.858 7.105 13.757 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.993 5.156 10.078 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.936 3.938 9.278 1.00 0.00 C ATOM 1034 C HIS A 67 -5.213 3.119 9.441 1.00 0.00 C ATOM 1035 O HIS A 67 -5.876 3.186 10.477 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.722 3.097 9.677 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.522 3.915 10.042 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -0.333 3.860 9.345 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -1.331 4.812 11.038 1.00 0.00 C ATOM 1040 CE1 HIS A 67 0.537 4.686 9.897 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -0.043 5.276 10.926 1.00 0.00 N ATOM 0 H HIS A 67 -4.587 5.090 10.904 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.842 4.225 8.231 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.991 2.464 10.522 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.462 2.434 8.852 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.056 5.108 11.782 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.551 4.851 9.563 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.394 5.965 11.538 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.552 2.349 8.414 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.750 1.519 8.443 1.00 0.00 C ATOM 1052 C CYS A 68 -6.435 0.093 8.004 1.00 0.00 C ATOM 1053 O CYS A 68 -6.381 -0.203 6.810 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.832 2.115 7.541 1.00 0.00 C ATOM 1055 SG CYS A 68 -8.846 3.380 8.341 1.00 0.00 S ATOM 0 H CYS A 68 -5.014 2.282 7.550 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.117 1.492 9.469 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.358 2.548 6.660 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.481 1.312 7.191 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.730 3.825 7.498 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.225 -0.788 8.978 1.00 0.00 N ATOM 1062 CA ARG A 69 -5.911 -2.182 8.692 1.00 0.00 C ATOM 1063 C ARG A 69 -6.949 -2.792 7.754 1.00 0.00 C ATOM 1064 O ARG A 69 -8.152 -2.705 8.003 1.00 0.00 O ATOM 1065 CB ARG A 69 -5.845 -2.989 9.990 1.00 0.00 C ATOM 1066 CG ARG A 69 -5.087 -4.299 9.855 1.00 0.00 C ATOM 1067 CD ARG A 69 -3.592 -4.101 10.055 1.00 0.00 C ATOM 1068 NE ARG A 69 -3.261 -3.803 11.446 1.00 0.00 N ATOM 1069 CZ ARG A 69 -2.102 -3.278 11.829 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -1.170 -2.994 10.930 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -1.875 -3.035 13.113 1.00 0.00 N ATOM 0 H ARG A 69 -6.267 -0.560 9.971 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.938 -2.216 8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.370 -2.382 10.761 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.859 -3.199 10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.462 -5.014 10.587 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.270 -4.727 8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.062 -5.000 9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.246 -3.288 9.418 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.957 -4.009 12.162 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.342 -3.178 9.942 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.281 -2.591 11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.590 -3.251 13.807 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.985 -2.632 13.406 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.476 -3.408 6.676 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.363 -4.032 5.702 1.00 0.00 C ATOM 1087 C ILE A 70 -7.450 -5.538 5.924 1.00 0.00 C ATOM 1088 O ILE A 70 -6.550 -6.143 6.504 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.894 -3.762 4.260 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.618 -2.271 4.061 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.936 -4.252 3.265 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.703 -1.977 2.893 1.00 0.00 C ATOM 0 H ILE A 70 -5.483 -3.488 6.455 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.349 -3.589 5.843 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.968 -4.309 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.564 -1.751 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.174 -1.867 4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.591 -4.055 2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -8.087 -5.324 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.877 -3.729 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.551 -0.901 2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.743 -2.468 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.155 -2.350 1.974 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.540 -6.138 5.455 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.744 -7.574 5.601 1.00 0.00 C ATOM 1106 C ASN A 71 -9.008 -8.226 4.247 1.00 0.00 C ATOM 1107 O ASN A 71 -9.059 -7.549 3.220 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.912 -7.851 6.549 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.844 -9.237 7.161 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -10.265 -10.219 6.550 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -9.313 -9.321 8.375 1.00 0.00 N ATOM 0 H ASN A 71 -9.295 -5.652 4.971 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.835 -8.004 6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.916 -7.106 7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.851 -7.742 6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.241 -10.227 8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.977 -8.480 8.844 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.177 -9.544 4.253 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.436 -10.288 3.026 1.00 0.00 C ATOM 1120 C ARG A 72 -10.457 -11.396 3.267 1.00 0.00 C ATOM 1121 O ARG A 72 -10.300 -12.212 4.176 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.137 -10.886 2.484 1.00 0.00 C ATOM 1123 CG ARG A 72 -8.342 -11.817 1.300 1.00 0.00 C ATOM 1124 CD ARG A 72 -7.140 -11.809 0.369 1.00 0.00 C ATOM 1125 NE ARG A 72 -6.090 -12.717 0.823 1.00 0.00 N ATOM 1126 CZ ARG A 72 -6.070 -14.015 0.543 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -7.036 -14.554 -0.187 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -5.080 -14.777 0.992 1.00 0.00 N ATOM 0 H ARG A 72 -9.139 -10.119 5.095 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.844 -9.595 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.470 -10.076 2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.638 -11.433 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.518 -12.831 1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.232 -11.515 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.457 -12.094 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.740 -10.797 0.302 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.331 -12.333 1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.797 -13.972 -0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.018 -15.551 -0.400 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.334 -14.366 1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.066 -15.774 0.776 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.502 -11.418 2.448 1.00 0.00 N ATOM 1143 CA ASP A 73 -12.549 -12.426 2.571 1.00 0.00 C ATOM 1144 C ASP A 73 -12.232 -13.647 1.713 1.00 0.00 C ATOM 1145 O ASP A 73 -13.067 -14.534 1.545 1.00 0.00 O ATOM 1146 CB ASP A 73 -13.902 -11.839 2.165 1.00 0.00 C ATOM 1147 CG ASP A 73 -15.068 -12.645 2.704 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -15.421 -12.459 3.888 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -15.627 -13.461 1.942 1.00 0.00 O ATOM 0 H ASP A 73 -11.647 -10.749 1.691 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.596 -12.740 3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.974 -10.814 2.528 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.965 -11.797 1.078 1.00 0.00 H new ATOM 1154 N GLY A 74 -11.018 -13.683 1.171 1.00 0.00 N ATOM 1155 CA GLY A 74 -10.613 -14.799 0.336 1.00 0.00 C ATOM 1156 C GLY A 74 -10.869 -14.544 -1.136 1.00 0.00 C ATOM 1157 O GLY A 74 -10.032 -14.857 -1.983 1.00 0.00 O ATOM 0 H GLY A 74 -10.309 -12.960 1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.552 -14.996 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.152 -15.695 0.646 1.00 0.00 H new ATOM 1161 N ARG A 75 -12.031 -13.976 -1.443 1.00 0.00 N ATOM 1162 CA ARG A 75 -12.397 -13.682 -2.824 1.00 0.00 C ATOM 1163 C ARG A 75 -12.507 -12.177 -3.048 1.00 0.00 C ATOM 1164 O ARG A 75 -12.414 -11.699 -4.179 1.00 0.00 O ATOM 1165 CB ARG A 75 -13.721 -14.360 -3.178 1.00 0.00 C ATOM 1166 CG ARG A 75 -14.915 -13.796 -2.424 1.00 0.00 C ATOM 1167 CD ARG A 75 -15.149 -14.538 -1.117 1.00 0.00 C ATOM 1168 NE ARG A 75 -16.045 -15.679 -1.288 1.00 0.00 N ATOM 1169 CZ ARG A 75 -17.307 -15.569 -1.687 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -17.820 -14.376 -1.955 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -18.059 -16.654 -1.819 1.00 0.00 N ATOM 0 H ARG A 75 -12.735 -13.710 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.613 -14.072 -3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.897 -14.258 -4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.641 -15.427 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.751 -12.738 -2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.806 -13.865 -3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.194 -14.883 -0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.571 -13.853 -0.382 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.682 -16.611 -1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.245 -13.539 -1.855 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.790 -14.295 -2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.668 -17.574 -1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.028 -16.569 -2.125 1.00 0.00 H new ATOM 1185 N HIS A 76 -12.706 -11.435 -1.964 1.00 0.00 N ATOM 1186 CA HIS A 76 -12.830 -9.984 -2.042 1.00 0.00 C ATOM 1187 C HIS A 76 -12.148 -9.315 -0.852 1.00 0.00 C ATOM 1188 O HIS A 76 -12.045 -9.901 0.226 1.00 0.00 O ATOM 1189 CB HIS A 76 -14.303 -9.578 -2.095 1.00 0.00 C ATOM 1190 CG HIS A 76 -15.031 -10.120 -3.286 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -16.280 -10.698 -3.205 1.00 0.00 N ATOM 1192 CD2 HIS A 76 -14.680 -10.167 -4.592 1.00 0.00 C ATOM 1193 CE1 HIS A 76 -16.665 -11.080 -4.410 1.00 0.00 C ATOM 1194 NE2 HIS A 76 -15.712 -10.768 -5.270 1.00 0.00 N ATOM 0 H HIS A 76 -12.785 -11.815 -1.021 1.00 0.00 H new ATOM 0 HA HIS A 76 -12.337 -9.651 -2.955 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.799 -9.923 -1.188 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -14.372 -8.490 -2.102 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -13.759 -9.800 -5.021 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.600 -11.565 -4.651 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.738 -10.945 -6.274 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.683 -8.087 -1.055 1.00 0.00 N ATOM 1204 CA PHE A 77 -11.009 -7.340 0.000 1.00 0.00 C ATOM 1205 C PHE A 77 -12.018 -6.587 0.863 1.00 0.00 C ATOM 1206 O PHE A 77 -13.058 -6.143 0.376 1.00 0.00 O ATOM 1207 CB PHE A 77 -10.004 -6.357 -0.603 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.720 -7.005 -1.038 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -7.700 -7.230 -0.128 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -8.534 -7.388 -2.356 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -6.517 -7.825 -0.526 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -7.353 -7.984 -2.760 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.344 -8.203 -1.843 1.00 0.00 C ATOM 0 H PHE A 77 -11.761 -7.588 -1.941 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.477 -8.052 0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.461 -5.862 -1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.781 -5.582 0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.830 -6.938 0.903 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -9.320 -7.219 -3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.729 -7.994 0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.220 -8.278 -3.791 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.421 -8.669 -2.155 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.703 -6.448 2.147 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.581 -5.750 3.078 1.00 0.00 C ATOM 1225 C VAL A 78 -11.850 -4.601 3.764 1.00 0.00 C ATOM 1226 O VAL A 78 -10.724 -4.761 4.238 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.135 -6.705 4.151 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.136 -5.985 5.041 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -13.769 -7.926 3.501 1.00 0.00 C ATOM 0 H VAL A 78 -10.846 -6.810 2.566 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.411 -5.353 2.494 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.307 -7.042 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.517 -6.676 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.646 -5.145 5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.963 -5.617 4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.155 -8.590 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.586 -7.610 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.020 -8.454 2.910 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.498 -3.442 3.815 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.910 -2.264 4.445 1.00 0.00 C ATOM 1241 C LEU A 79 -12.214 -2.238 5.940 1.00 0.00 C ATOM 1242 O LEU A 79 -11.308 -2.310 6.769 1.00 0.00 O ATOM 1243 CB LEU A 79 -12.439 -0.991 3.783 1.00 0.00 C ATOM 1244 CG LEU A 79 -11.624 0.280 4.027 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -11.710 0.697 5.487 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -10.174 0.072 3.615 1.00 0.00 C ATOM 0 H LEU A 79 -13.430 -3.293 3.428 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.829 -2.312 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.496 -1.161 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.457 -0.819 4.133 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.043 1.080 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.124 1.603 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.750 0.888 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.317 -0.101 6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.610 0.987 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.743 -0.742 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.129 -0.178 2.555 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.496 -2.136 6.277 1.00 0.00 N ATOM 1259 CA GLY A 80 -13.896 -2.104 7.671 1.00 0.00 C ATOM 1260 C GLY A 80 -14.904 -3.184 8.010 1.00 0.00 C ATOM 1261 O GLY A 80 -14.545 -4.231 8.552 1.00 0.00 O ATOM 0 H GLY A 80 -14.265 -2.075 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.015 -2.223 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.323 -1.128 7.901 1.00 0.00 H new ATOM 1265 N THR A 81 -16.170 -2.931 7.693 1.00 0.00 N ATOM 1266 CA THR A 81 -17.233 -3.889 7.970 1.00 0.00 C ATOM 1267 C THR A 81 -18.041 -4.192 6.713 1.00 0.00 C ATOM 1268 O THR A 81 -18.149 -5.345 6.296 1.00 0.00 O ATOM 1269 CB THR A 81 -18.184 -3.372 9.066 1.00 0.00 C ATOM 1270 OG1 THR A 81 -17.436 -3.011 10.233 1.00 0.00 O ATOM 1271 CG2 THR A 81 -19.219 -4.427 9.426 1.00 0.00 C ATOM 0 H THR A 81 -16.484 -2.071 7.244 1.00 0.00 H new ATOM 0 HA THR A 81 -16.752 -4.803 8.319 1.00 0.00 H new ATOM 0 HB THR A 81 -18.703 -2.494 8.682 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.047 -2.682 10.925 1.00 0.00 H new ATOM 0 HG21 THR A 81 -19.879 -4.039 10.202 1.00 0.00 H new ATOM 0 HG22 THR A 81 -19.806 -4.678 8.542 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.715 -5.321 9.792 1.00 0.00 H new ATOM 1279 N SER A 82 -18.606 -3.149 6.113 1.00 0.00 N ATOM 1280 CA SER A 82 -19.407 -3.305 4.905 1.00 0.00 C ATOM 1281 C SER A 82 -18.701 -2.688 3.701 1.00 0.00 C ATOM 1282 O SER A 82 -18.893 -1.512 3.391 1.00 0.00 O ATOM 1283 CB SER A 82 -20.781 -2.658 5.091 1.00 0.00 C ATOM 1284 OG SER A 82 -21.536 -2.709 3.893 1.00 0.00 O ATOM 0 H SER A 82 -18.524 -2.188 6.444 1.00 0.00 H new ATOM 0 HA SER A 82 -19.537 -4.371 4.721 1.00 0.00 H new ATOM 0 HB2 SER A 82 -21.322 -3.169 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 82 -20.659 -1.621 5.403 1.00 0.00 H new ATOM 0 HG SER A 82 -22.410 -2.291 4.039 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.883 -3.490 3.028 1.00 0.00 N ATOM 1291 CA ALA A 83 -17.149 -3.024 1.858 1.00 0.00 C ATOM 1292 C ALA A 83 -16.550 -4.194 1.084 1.00 0.00 C ATOM 1293 O ALA A 83 -15.847 -5.031 1.651 1.00 0.00 O ATOM 1294 CB ALA A 83 -16.057 -2.049 2.273 1.00 0.00 C ATOM 0 H ALA A 83 -17.712 -4.465 3.273 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.850 -2.509 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.517 -1.709 1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.506 -1.192 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.364 -2.546 2.952 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.833 -4.247 -0.212 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.325 -5.316 -1.063 1.00 0.00 C ATOM 1302 C TYR A 84 -15.765 -4.756 -2.367 1.00 0.00 C ATOM 1303 O TYR A 84 -16.316 -3.816 -2.940 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.433 -6.328 -1.363 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.600 -7.379 -0.290 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -17.959 -7.028 1.005 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -17.399 -8.725 -0.571 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -18.112 -7.985 1.989 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -17.551 -9.690 0.406 1.00 0.00 C ATOM 1310 CZ TYR A 84 -17.907 -9.315 1.684 1.00 0.00 C ATOM 1311 OH TYR A 84 -18.060 -10.272 2.661 1.00 0.00 O ATOM 0 H TYR A 84 -17.412 -3.562 -0.697 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.518 -5.818 -0.529 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.376 -5.795 -1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -17.217 -6.820 -2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -18.121 -5.988 1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -17.119 -9.022 -1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.390 -7.694 2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.392 -10.732 0.170 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.881 -11.158 2.282 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.666 -5.341 -2.831 1.00 0.00 N ATOM 1322 CA PHE A 85 -14.030 -4.902 -4.067 1.00 0.00 C ATOM 1323 C PHE A 85 -13.179 -6.017 -4.668 1.00 0.00 C ATOM 1324 O PHE A 85 -12.441 -6.699 -3.958 1.00 0.00 O ATOM 1325 CB PHE A 85 -13.163 -3.667 -3.809 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.940 -2.482 -3.312 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.360 -2.415 -1.993 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -14.253 -1.436 -4.165 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -15.075 -1.325 -1.533 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.968 -0.343 -3.711 1.00 0.00 C ATOM 1331 CZ PHE A 85 -15.380 -0.289 -2.394 1.00 0.00 C ATOM 0 H PHE A 85 -14.197 -6.121 -2.369 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.815 -4.645 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.394 -3.919 -3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.650 -3.394 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -14.126 -3.224 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.935 -1.475 -5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.395 -1.284 -0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.204 0.467 -4.385 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.940 0.563 -2.038 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.291 -6.197 -5.980 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.533 -7.230 -6.676 1.00 0.00 C ATOM 1343 C GLU A 86 -11.058 -7.175 -6.293 1.00 0.00 C ATOM 1344 O GLU A 86 -10.381 -8.202 -6.235 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.684 -7.072 -8.191 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.584 -8.383 -8.953 1.00 0.00 C ATOM 1347 CD GLU A 86 -12.342 -8.178 -10.436 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -11.174 -7.969 -10.824 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -13.322 -8.228 -11.208 1.00 0.00 O ATOM 0 H GLU A 86 -13.899 -5.641 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.932 -8.199 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.648 -6.610 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.915 -6.390 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.774 -8.981 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.504 -8.951 -8.814 1.00 0.00 H new ATOM 1356 N SER A 87 -10.565 -5.968 -6.032 1.00 0.00 N ATOM 1357 CA SER A 87 -9.168 -5.777 -5.658 1.00 0.00 C ATOM 1358 C SER A 87 -8.954 -4.397 -5.043 1.00 0.00 C ATOM 1359 O SER A 87 -9.741 -3.476 -5.267 1.00 0.00 O ATOM 1360 CB SER A 87 -8.263 -5.951 -6.879 1.00 0.00 C ATOM 1361 OG SER A 87 -6.975 -6.402 -6.499 1.00 0.00 O ATOM 0 H SER A 87 -11.112 -5.108 -6.073 1.00 0.00 H new ATOM 0 HA SER A 87 -8.910 -6.531 -4.914 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.712 -6.664 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.178 -5.003 -7.410 1.00 0.00 H new ATOM 0 HG SER A 87 -6.416 -6.507 -7.297 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.884 -4.262 -4.268 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.565 -2.994 -3.620 1.00 0.00 C ATOM 1369 C LEU A 88 -7.627 -1.842 -4.617 1.00 0.00 C ATOM 1370 O LEU A 88 -7.919 -0.704 -4.250 1.00 0.00 O ATOM 1371 CB LEU A 88 -6.174 -3.060 -2.986 1.00 0.00 C ATOM 1372 CG LEU A 88 -5.949 -4.187 -1.977 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.482 -4.584 -1.940 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.426 -3.768 -0.594 1.00 0.00 C ATOM 0 H LEU A 88 -7.223 -5.014 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.306 -2.816 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.438 -3.161 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.978 -2.110 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.531 -5.053 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.341 -5.387 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.173 -4.926 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.879 -3.724 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.258 -4.582 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.872 -2.887 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.490 -3.534 -0.631 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.354 -2.145 -5.883 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.382 -1.136 -6.934 1.00 0.00 C ATOM 1388 C VAL A 89 -8.734 -0.431 -6.983 1.00 0.00 C ATOM 1389 O VAL A 89 -8.807 0.795 -6.920 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.087 -1.754 -8.314 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.334 -0.737 -9.418 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.660 -2.277 -8.368 1.00 0.00 C ATOM 0 H VAL A 89 -7.111 -3.082 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.605 -0.410 -6.696 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.764 -2.594 -8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.120 -1.191 -10.386 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.375 -0.415 -9.390 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.684 0.125 -9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.468 -2.710 -9.350 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.965 -1.456 -8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.523 -3.040 -7.602 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.800 -1.216 -7.096 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.150 -0.667 -7.154 1.00 0.00 C ATOM 1404 C GLU A 90 -11.497 0.062 -5.859 1.00 0.00 C ATOM 1405 O GLU A 90 -12.129 1.119 -5.878 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.167 -1.780 -7.415 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.047 -2.404 -8.795 1.00 0.00 C ATOM 1408 CD GLU A 90 -12.177 -1.384 -9.909 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -11.200 -0.643 -10.152 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -13.253 -1.325 -10.539 1.00 0.00 O ATOM 0 H GLU A 90 -9.756 -2.234 -7.149 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.188 0.049 -7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.043 -2.558 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.173 -1.377 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.084 -2.908 -8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.817 -3.166 -8.913 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.079 -0.511 -4.735 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.346 0.082 -3.430 1.00 0.00 C ATOM 1419 C LEU A 91 -10.785 1.498 -3.350 1.00 0.00 C ATOM 1420 O LEU A 91 -11.405 2.391 -2.773 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.740 -0.782 -2.322 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.969 -0.295 -0.890 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.980 -1.469 0.077 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -9.902 0.715 -0.494 1.00 0.00 C ATOM 0 H LEU A 91 -10.554 -1.385 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.426 0.131 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.146 -1.790 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.666 -0.855 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.941 0.196 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.144 -1.104 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.781 -2.157 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.023 -1.989 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.080 1.051 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.919 0.249 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.942 1.570 -1.169 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.608 1.697 -3.936 1.00 0.00 N ATOM 1437 CA VAL A 92 -8.965 3.005 -3.935 1.00 0.00 C ATOM 1438 C VAL A 92 -9.641 3.951 -4.921 1.00 0.00 C ATOM 1439 O VAL A 92 -9.817 5.136 -4.639 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.469 2.895 -4.288 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -6.809 4.265 -4.245 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.770 1.927 -3.346 1.00 0.00 C ATOM 0 H VAL A 92 -9.081 0.968 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.064 3.406 -2.926 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.380 2.507 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.753 4.168 -4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.294 4.925 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.906 4.684 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.714 1.861 -3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.867 2.284 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.227 0.941 -3.432 1.00 0.00 H new ATOM 1452 N SER A 93 -10.017 3.419 -6.079 1.00 0.00 N ATOM 1453 CA SER A 93 -10.671 4.216 -7.110 1.00 0.00 C ATOM 1454 C SER A 93 -12.135 4.463 -6.759 1.00 0.00 C ATOM 1455 O SER A 93 -12.874 5.081 -7.526 1.00 0.00 O ATOM 1456 CB SER A 93 -10.571 3.516 -8.467 1.00 0.00 C ATOM 1457 OG SER A 93 -9.317 3.764 -9.078 1.00 0.00 O ATOM 0 H SER A 93 -9.880 2.439 -6.327 1.00 0.00 H new ATOM 0 HA SER A 93 -10.162 5.178 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.710 2.443 -8.337 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.372 3.864 -9.119 1.00 0.00 H new ATOM 0 HG SER A 93 -9.278 3.304 -9.943 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.548 3.975 -5.594 1.00 0.00 N ATOM 1464 CA TYR A 94 -13.924 4.140 -5.141 1.00 0.00 C ATOM 1465 C TYR A 94 -14.020 5.230 -4.078 1.00 0.00 C ATOM 1466 O TYR A 94 -14.697 6.241 -4.269 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.460 2.820 -4.584 1.00 0.00 C ATOM 1468 CG TYR A 94 -15.823 2.944 -3.940 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -15.958 3.404 -2.636 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -16.976 2.601 -4.636 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -17.201 3.518 -2.044 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.223 2.713 -4.052 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.330 3.172 -2.756 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.570 3.284 -2.170 1.00 0.00 O ATOM 0 H TYR A 94 -11.949 3.462 -4.947 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.529 4.438 -5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.514 2.090 -5.391 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -13.754 2.432 -3.850 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.076 3.677 -2.076 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -16.896 2.241 -5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -17.288 3.876 -1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.109 2.443 -4.607 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.259 3.001 -2.807 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.339 5.017 -2.958 1.00 0.00 N ATOM 1485 CA TYR A 95 -13.348 5.980 -1.863 1.00 0.00 C ATOM 1486 C TYR A 95 -12.860 7.346 -2.335 1.00 0.00 C ATOM 1487 O TYR A 95 -13.271 8.379 -1.808 1.00 0.00 O ATOM 1488 CB TYR A 95 -12.472 5.483 -0.712 1.00 0.00 C ATOM 1489 CG TYR A 95 -13.158 4.470 0.177 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -14.019 4.875 1.190 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -12.945 3.108 0.005 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -14.648 3.954 2.005 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -13.570 2.179 0.814 1.00 0.00 C ATOM 1494 CZ TYR A 95 -14.420 2.607 1.813 1.00 0.00 C ATOM 1495 OH TYR A 95 -15.044 1.685 2.622 1.00 0.00 O ATOM 0 H TYR A 95 -12.774 4.186 -2.784 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.375 6.083 -1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.565 5.039 -1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.164 6.335 -0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -14.200 5.929 1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -12.279 2.770 -0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -15.314 4.286 2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -13.394 1.124 0.665 1.00 0.00 H new ATOM 0 HH TYR A 95 -14.777 0.781 2.354 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.981 7.342 -3.332 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.436 8.581 -3.875 1.00 0.00 C ATOM 1507 C GLU A 96 -12.498 9.676 -3.902 1.00 0.00 C ATOM 1508 O GLU A 96 -12.220 10.835 -3.593 1.00 0.00 O ATOM 1509 CB GLU A 96 -10.892 8.349 -5.286 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.430 7.935 -5.314 1.00 0.00 C ATOM 1511 CD GLU A 96 -8.487 9.116 -5.186 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -8.788 10.180 -5.765 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -7.448 8.975 -4.507 1.00 0.00 O ATOM 0 H GLU A 96 -11.631 6.495 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.621 8.904 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.489 7.578 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.013 9.263 -5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.239 7.233 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.223 7.409 -6.246 1.00 0.00 H new ATOM 1520 N LYS A 97 -13.718 9.301 -4.273 1.00 0.00 N ATOM 1521 CA LYS A 97 -14.823 10.249 -4.341 1.00 0.00 C ATOM 1522 C LYS A 97 -15.334 10.590 -2.944 1.00 0.00 C ATOM 1523 O LYS A 97 -15.672 11.739 -2.659 1.00 0.00 O ATOM 1524 CB LYS A 97 -15.963 9.676 -5.186 1.00 0.00 C ATOM 1525 CG LYS A 97 -15.760 9.856 -6.681 1.00 0.00 C ATOM 1526 CD LYS A 97 -14.505 9.148 -7.162 1.00 0.00 C ATOM 1527 CE LYS A 97 -13.304 10.081 -7.160 1.00 0.00 C ATOM 1528 NZ LYS A 97 -12.324 9.727 -8.224 1.00 0.00 N ATOM 0 H LYS A 97 -13.966 8.346 -4.531 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.456 11.163 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.068 8.613 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.897 10.155 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.626 9.467 -7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.692 10.918 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -14.302 8.290 -6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.666 8.763 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.641 11.107 -7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.814 10.040 -6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.520 10.386 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.982 8.756 -8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.784 9.791 -9.155 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.386 9.584 -2.077 1.00 0.00 N ATOM 1543 CA HIS A 98 -15.853 9.777 -0.709 1.00 0.00 C ATOM 1544 C HIS A 98 -14.692 10.121 0.219 1.00 0.00 C ATOM 1545 O HIS A 98 -13.535 10.137 -0.199 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.567 8.521 -0.208 1.00 0.00 C ATOM 1547 CG HIS A 98 -17.539 7.951 -1.194 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -17.347 7.442 -2.434 1.00 0.00 N flip ATOM 1549 CD2 HIS A 98 -18.893 7.861 -0.950 1.00 0.00 C flip ATOM 1550 CE1 HIS A 98 -18.575 7.056 -2.911 1.00 0.00 C flip ATOM 1551 NE2 HIS A 98 -19.491 7.319 -1.996 1.00 0.00 N flip ATOM 0 H HIS A 98 -15.111 8.627 -2.297 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.556 10.610 -0.707 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -15.823 7.763 0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.095 8.757 0.716 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -19.387 8.183 -0.045 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -18.762 6.610 -3.877 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -20.490 7.135 -2.082 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.009 10.396 1.480 1.00 0.00 N ATOM 1561 CA ALA A 99 -13.992 10.738 2.467 1.00 0.00 C ATOM 1562 C ALA A 99 -13.632 9.530 3.326 1.00 0.00 C ATOM 1563 O ALA A 99 -14.468 9.012 4.068 1.00 0.00 O ATOM 1564 CB ALA A 99 -14.470 11.887 3.341 1.00 0.00 C ATOM 0 H ALA A 99 -15.962 10.389 1.842 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.094 11.051 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.701 12.132 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.669 12.759 2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.384 11.595 3.859 1.00 0.00 H new ATOM 1570 N LEU A 100 -12.385 9.085 3.220 1.00 0.00 N ATOM 1571 CA LEU A 100 -11.915 7.937 3.988 1.00 0.00 C ATOM 1572 C LEU A 100 -11.829 8.273 5.473 1.00 0.00 C ATOM 1573 O LEU A 100 -12.438 7.604 6.308 1.00 0.00 O ATOM 1574 CB LEU A 100 -10.547 7.482 3.476 1.00 0.00 C ATOM 1575 CG LEU A 100 -9.726 6.618 4.434 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -10.330 5.228 4.550 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.279 6.536 3.970 1.00 0.00 C ATOM 0 H LEU A 100 -11.681 9.501 2.610 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.633 7.127 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.694 6.924 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.962 8.367 3.225 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.745 7.083 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.732 4.628 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.349 5.305 4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.342 4.754 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.709 5.917 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.241 6.095 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.849 7.537 3.940 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.071 9.315 5.796 1.00 0.00 N ATOM 1590 CA TYR A 101 -10.905 9.740 7.180 1.00 0.00 C ATOM 1591 C TYR A 101 -11.695 11.016 7.457 1.00 0.00 C ATOM 1592 O TYR A 101 -12.180 11.672 6.534 1.00 0.00 O ATOM 1593 CB TYR A 101 -9.425 9.966 7.493 1.00 0.00 C ATOM 1594 CG TYR A 101 -9.169 10.435 8.907 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -9.533 9.652 9.996 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -8.564 11.661 9.155 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -9.302 10.077 11.290 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -8.328 12.093 10.446 1.00 0.00 C ATOM 1599 CZ TYR A 101 -8.699 11.298 11.510 1.00 0.00 C ATOM 1600 OH TYR A 101 -8.466 11.724 12.797 1.00 0.00 O ATOM 0 H TYR A 101 -10.562 9.881 5.117 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.289 8.949 7.824 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -8.881 9.037 7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.024 10.702 6.797 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -10.004 8.695 9.828 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.273 12.287 8.324 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -9.592 9.457 12.125 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.855 13.048 10.621 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.034 12.603 12.777 1.00 0.00 H new ATOM 1610 N ARG A 102 -11.820 11.362 8.734 1.00 0.00 N ATOM 1611 CA ARG A 102 -12.551 12.559 9.134 1.00 0.00 C ATOM 1612 C ARG A 102 -12.199 13.737 8.231 1.00 0.00 C ATOM 1613 O ARG A 102 -11.035 14.123 8.121 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.242 12.908 10.591 1.00 0.00 C ATOM 1615 CG ARG A 102 -13.191 12.262 11.586 1.00 0.00 C ATOM 1616 CD ARG A 102 -12.754 10.848 11.937 1.00 0.00 C ATOM 1617 NE ARG A 102 -11.795 10.829 13.038 1.00 0.00 N ATOM 1618 CZ ARG A 102 -12.140 10.951 14.315 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -13.414 11.100 14.650 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -11.209 10.925 15.260 1.00 0.00 N ATOM 0 H ARG A 102 -11.425 10.831 9.510 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.617 12.354 9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.222 12.599 10.821 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.283 13.990 10.713 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.235 12.866 12.492 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.198 12.240 11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -13.628 10.255 12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.309 10.378 11.060 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.806 10.716 12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.133 11.121 13.926 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.676 11.193 15.631 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.228 10.811 15.006 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.475 11.019 16.240 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.212 14.306 7.587 1.00 0.00 N ATOM 1635 CA LYS A 103 -13.012 15.441 6.694 1.00 0.00 C ATOM 1636 C LYS A 103 -11.740 15.267 5.870 1.00 0.00 C ATOM 1637 O LYS A 103 -10.943 16.195 5.738 1.00 0.00 O ATOM 1638 CB LYS A 103 -12.937 16.741 7.498 1.00 0.00 C ATOM 1639 CG LYS A 103 -14.291 17.387 7.737 1.00 0.00 C ATOM 1640 CD LYS A 103 -14.662 18.338 6.612 1.00 0.00 C ATOM 1641 CE LYS A 103 -13.897 19.649 6.715 1.00 0.00 C ATOM 1642 NZ LYS A 103 -14.325 20.624 5.674 1.00 0.00 N ATOM 0 H LYS A 103 -14.181 13.999 7.667 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.862 15.490 6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.466 16.537 8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.295 17.447 6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -15.053 16.613 7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -14.274 17.929 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.451 17.867 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.733 18.537 6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.050 20.082 7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -12.829 19.455 6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.781 21.504 5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.155 20.221 4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.338 20.829 5.786 1.00 0.00 H new ATOM 1656 N MET A 104 -11.558 14.073 5.316 1.00 0.00 N ATOM 1657 CA MET A 104 -10.384 13.779 4.502 1.00 0.00 C ATOM 1658 C MET A 104 -10.695 12.700 3.469 1.00 0.00 C ATOM 1659 O MET A 104 -11.473 11.783 3.732 1.00 0.00 O ATOM 1660 CB MET A 104 -9.221 13.333 5.389 1.00 0.00 C ATOM 1661 CG MET A 104 -7.854 13.588 4.773 1.00 0.00 C ATOM 1662 SD MET A 104 -6.616 12.393 5.312 1.00 0.00 S ATOM 1663 CE MET A 104 -6.634 11.244 3.938 1.00 0.00 C ATOM 0 H MET A 104 -12.208 13.293 5.416 1.00 0.00 H new ATOM 0 HA MET A 104 -10.100 14.690 3.975 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.283 13.854 6.344 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.323 12.268 5.599 1.00 0.00 H new ATOM 0 HG2 MET A 104 -7.937 13.554 3.687 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.523 14.592 5.036 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.593 10.223 4.317 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.549 11.380 3.362 1.00 0.00 H new ATOM 0 HE3 MET A 104 -5.771 11.429 3.298 1.00 0.00 H new ATOM 1673 N ARG A 105 -10.083 12.817 2.296 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.295 11.851 1.224 1.00 0.00 C ATOM 1675 C ARG A 105 -9.026 11.669 0.397 1.00 0.00 C ATOM 1676 O ARG A 105 -8.162 12.545 0.365 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.444 12.305 0.321 1.00 0.00 C ATOM 1678 CG ARG A 105 -11.084 13.471 -0.584 1.00 0.00 C ATOM 1679 CD ARG A 105 -12.079 13.619 -1.725 1.00 0.00 C ATOM 1680 NE ARG A 105 -12.092 14.975 -2.267 1.00 0.00 N ATOM 1681 CZ ARG A 105 -13.114 15.486 -2.944 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -14.201 14.758 -3.159 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -13.051 16.728 -3.406 1.00 0.00 N ATOM 0 H ARG A 105 -9.436 13.571 2.063 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.553 10.894 1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.765 11.464 -0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.293 12.588 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.058 14.391 -0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.083 13.323 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.829 12.914 -2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.077 13.360 -1.372 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.271 15.562 -2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -14.254 13.803 -2.804 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -14.985 15.153 -3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -12.217 17.292 -3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.837 17.119 -3.926 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.921 10.525 -0.271 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.757 10.227 -1.098 1.00 0.00 C ATOM 1699 C LEU A 106 -7.667 11.188 -2.279 1.00 0.00 C ATOM 1700 O LEU A 106 -8.529 11.189 -3.159 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.823 8.784 -1.604 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.170 7.722 -0.561 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -8.733 6.479 -1.231 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -6.946 7.373 0.273 1.00 0.00 C ATOM 0 H LEU A 106 -9.627 9.789 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.865 10.351 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.562 8.734 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.859 8.530 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.933 8.129 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.974 5.734 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.636 6.740 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.993 6.070 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.212 6.615 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.161 6.987 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.587 8.266 0.784 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.619 12.004 -2.293 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.416 12.970 -3.366 1.00 0.00 C ATOM 1718 C ARG A 107 -5.028 12.814 -3.982 1.00 0.00 C ATOM 1719 O ARG A 107 -4.844 13.024 -5.181 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.595 14.395 -2.839 1.00 0.00 C ATOM 1721 CG ARG A 107 -8.042 14.761 -2.554 1.00 0.00 C ATOM 1722 CD ARG A 107 -8.141 16.021 -1.707 1.00 0.00 C ATOM 1723 NE ARG A 107 -7.943 17.231 -2.501 1.00 0.00 N ATOM 1724 CZ ARG A 107 -8.042 18.459 -2.005 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -8.333 18.639 -0.724 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -7.847 19.511 -2.790 1.00 0.00 N ATOM 0 H ARG A 107 -5.897 12.016 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.161 12.780 -4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.013 14.511 -1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.188 15.097 -3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.573 14.911 -3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.533 13.935 -2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.119 16.059 -1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.396 15.983 -0.912 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.716 17.127 -3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.481 17.833 -0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.408 19.583 -0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.621 19.377 -3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.923 20.454 -2.408 1.00 0.00 H new ATOM 1740 N TYR A 108 -4.057 12.446 -3.154 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.686 12.265 -3.617 1.00 0.00 C ATOM 1742 C TYR A 108 -2.121 10.931 -3.138 1.00 0.00 C ATOM 1743 O TYR A 108 -1.692 10.785 -1.993 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.804 13.413 -3.123 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.463 14.770 -3.224 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.715 15.351 -4.460 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.833 15.470 -2.083 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -3.316 16.591 -4.557 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.436 16.710 -2.170 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.675 17.267 -3.409 1.00 0.00 C ATOM 1751 OH TYR A 108 -4.275 18.502 -3.502 1.00 0.00 O ATOM 0 H TYR A 108 -4.193 12.267 -2.159 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.694 12.265 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.530 13.228 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.879 13.424 -3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.436 14.824 -5.361 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.646 15.038 -1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.504 17.029 -5.526 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.719 17.240 -1.273 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.465 18.842 -2.603 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.119 9.934 -4.035 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.609 8.595 -3.729 1.00 0.00 C ATOM 1763 C PRO A 109 -0.094 8.576 -3.560 1.00 0.00 C ATOM 1764 O PRO A 109 0.649 8.509 -4.539 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.021 7.770 -4.951 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.138 8.763 -6.055 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.615 10.038 -5.417 1.00 0.00 C ATOM 0 HA PRO A 109 -2.005 8.214 -2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.278 7.006 -5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.966 7.254 -4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.178 8.910 -6.551 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.840 8.421 -6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.213 10.916 -5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.701 10.121 -5.449 1.00 0.00 H new ATOM 1775 N VAL A 110 0.359 8.637 -2.311 1.00 0.00 N ATOM 1776 CA VAL A 110 1.786 8.626 -2.014 1.00 0.00 C ATOM 1777 C VAL A 110 2.531 7.661 -2.930 1.00 0.00 C ATOM 1778 O VAL A 110 2.176 6.486 -3.034 1.00 0.00 O ATOM 1779 CB VAL A 110 2.052 8.233 -0.549 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.544 8.080 -0.298 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.447 9.260 0.396 1.00 0.00 C ATOM 0 H VAL A 110 -0.242 8.695 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 110 2.151 9.639 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 110 1.576 7.271 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.711 7.802 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.945 7.304 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.047 9.024 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.644 8.967 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.892 10.237 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.370 9.314 0.234 1.00 0.00 H new ATOM 1791 N THR A 111 3.567 8.164 -3.595 1.00 0.00 N ATOM 1792 CA THR A 111 4.362 7.347 -4.503 1.00 0.00 C ATOM 1793 C THR A 111 5.851 7.494 -4.214 1.00 0.00 C ATOM 1794 O THR A 111 6.298 8.472 -3.614 1.00 0.00 O ATOM 1795 CB THR A 111 4.096 7.723 -5.973 1.00 0.00 C ATOM 1796 OG1 THR A 111 3.874 9.133 -6.087 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.891 6.969 -6.515 1.00 0.00 C ATOM 0 H THR A 111 3.875 9.134 -3.521 1.00 0.00 H new ATOM 0 HA THR A 111 4.064 6.311 -4.340 1.00 0.00 H new ATOM 0 HB THR A 111 4.972 7.446 -6.559 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.707 9.363 -7.025 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.723 7.251 -7.554 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.076 5.896 -6.455 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.010 7.219 -5.924 1.00 0.00 H new ATOM 1805 N PRO A 112 6.640 6.501 -4.649 1.00 0.00 N ATOM 1806 CA PRO A 112 8.092 6.498 -4.449 1.00 0.00 C ATOM 1807 C PRO A 112 8.796 7.557 -5.290 1.00 0.00 C ATOM 1808 O PRO A 112 9.975 7.842 -5.086 1.00 0.00 O ATOM 1809 CB PRO A 112 8.509 5.095 -4.898 1.00 0.00 C ATOM 1810 CG PRO A 112 7.451 4.675 -5.859 1.00 0.00 C ATOM 1811 CD PRO A 112 6.175 5.305 -5.372 1.00 0.00 C ATOM 0 HA PRO A 112 8.361 6.729 -3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.491 5.106 -5.370 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.570 4.410 -4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.689 5.006 -6.870 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.362 3.589 -5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.515 5.567 -6.199 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.618 4.632 -4.720 1.00 0.00 H new ATOM 1819 N GLU A 113 8.064 8.138 -6.236 1.00 0.00 N ATOM 1820 CA GLU A 113 8.619 9.167 -7.108 1.00 0.00 C ATOM 1821 C GLU A 113 8.451 10.552 -6.491 1.00 0.00 C ATOM 1822 O GLU A 113 9.235 11.464 -6.760 1.00 0.00 O ATOM 1823 CB GLU A 113 7.944 9.122 -8.480 1.00 0.00 C ATOM 1824 CG GLU A 113 8.433 7.985 -9.362 1.00 0.00 C ATOM 1825 CD GLU A 113 7.654 7.876 -10.659 1.00 0.00 C ATOM 1826 OE1 GLU A 113 7.693 8.835 -11.457 1.00 0.00 O ATOM 1827 OE2 GLU A 113 7.004 6.831 -10.874 1.00 0.00 O ATOM 0 H GLU A 113 7.086 7.914 -6.418 1.00 0.00 H new ATOM 0 HA GLU A 113 9.684 8.969 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 113 6.867 9.027 -8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.118 10.068 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.489 8.134 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.354 7.046 -8.815 1.00 0.00 H new ATOM 1834 N LEU A 114 7.424 10.703 -5.662 1.00 0.00 N ATOM 1835 CA LEU A 114 7.151 11.977 -5.006 1.00 0.00 C ATOM 1836 C LEU A 114 8.212 12.287 -3.955 1.00 0.00 C ATOM 1837 O LEU A 114 8.659 13.428 -3.826 1.00 0.00 O ATOM 1838 CB LEU A 114 5.766 11.953 -4.357 1.00 0.00 C ATOM 1839 CG LEU A 114 5.137 13.316 -4.066 1.00 0.00 C ATOM 1840 CD1 LEU A 114 4.359 13.813 -5.274 1.00 0.00 C ATOM 1841 CD2 LEU A 114 4.235 13.237 -2.843 1.00 0.00 C ATOM 0 H LEU A 114 6.767 9.959 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 114 7.177 12.760 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.092 11.396 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.835 11.400 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 114 5.936 14.027 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.918 14.784 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.032 13.909 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.568 13.103 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.796 14.216 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.441 12.512 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.821 12.926 -1.978 1.00 0.00 H new ATOM 1853 N LEU A 115 8.614 11.265 -3.209 1.00 0.00 N ATOM 1854 CA LEU A 115 9.626 11.427 -2.170 1.00 0.00 C ATOM 1855 C LEU A 115 10.870 12.114 -2.724 1.00 0.00 C ATOM 1856 O LEU A 115 11.326 13.121 -2.184 1.00 0.00 O ATOM 1857 CB LEU A 115 10.001 10.066 -1.579 1.00 0.00 C ATOM 1858 CG LEU A 115 8.928 9.385 -0.730 1.00 0.00 C ATOM 1859 CD1 LEU A 115 9.559 8.670 0.455 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.898 10.400 -0.256 1.00 0.00 C ATOM 0 H LEU A 115 8.255 10.315 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 115 9.207 12.055 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.267 9.397 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.894 10.192 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 115 8.420 8.644 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.780 8.191 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.257 7.914 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.093 9.392 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.142 9.897 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.391 11.165 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.423 10.866 -1.119 1.00 0.00 H new ATOM 1872 N GLU A 116 11.412 11.563 -3.806 1.00 0.00 N ATOM 1873 CA GLU A 116 12.602 12.125 -4.433 1.00 0.00 C ATOM 1874 C GLU A 116 12.258 13.383 -5.225 1.00 0.00 C ATOM 1875 O GLU A 116 12.945 14.399 -5.126 1.00 0.00 O ATOM 1876 CB GLU A 116 13.256 11.092 -5.354 1.00 0.00 C ATOM 1877 CG GLU A 116 12.362 10.646 -6.499 1.00 0.00 C ATOM 1878 CD GLU A 116 12.776 9.305 -7.074 1.00 0.00 C ATOM 1879 OE1 GLU A 116 13.814 9.252 -7.766 1.00 0.00 O ATOM 1880 OE2 GLU A 116 12.062 8.310 -6.832 1.00 0.00 O ATOM 0 H GLU A 116 11.046 10.729 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 116 13.304 12.395 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 116 14.174 11.513 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.540 10.220 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.332 10.584 -6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.385 11.398 -7.288 1.00 0.00 H new ATOM 1887 N ARG A 117 11.189 13.306 -6.012 1.00 0.00 N ATOM 1888 CA ARG A 117 10.754 14.436 -6.823 1.00 0.00 C ATOM 1889 C ARG A 117 10.539 15.675 -5.958 1.00 0.00 C ATOM 1890 O ARG A 117 10.614 16.804 -6.443 1.00 0.00 O ATOM 1891 CB ARG A 117 9.463 14.091 -7.567 1.00 0.00 C ATOM 1892 CG ARG A 117 8.887 15.253 -8.360 1.00 0.00 C ATOM 1893 CD ARG A 117 7.982 14.768 -9.482 1.00 0.00 C ATOM 1894 NE ARG A 117 8.724 14.517 -10.714 1.00 0.00 N ATOM 1895 CZ ARG A 117 8.145 14.313 -11.892 1.00 0.00 C ATOM 1896 NH1 ARG A 117 6.824 14.329 -11.996 1.00 0.00 N ATOM 1897 NH2 ARG A 117 8.889 14.091 -12.969 1.00 0.00 N ATOM 0 H ARG A 117 10.609 12.472 -6.105 1.00 0.00 H new ATOM 0 HA ARG A 117 11.537 14.652 -7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.656 13.260 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.719 13.749 -6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.324 15.906 -7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.699 15.848 -8.778 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.477 13.854 -9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.208 15.512 -9.670 1.00 0.00 H new ATOM 0 HE ARG A 117 9.743 14.497 -10.668 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.249 14.498 -11.170 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.382 14.172 -12.902 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.906 14.077 -12.892 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.444 13.934 -13.873 1.00 0.00 H new ATOM 1911 N TYR A 118 10.272 15.455 -4.675 1.00 0.00 N ATOM 1912 CA TYR A 118 10.043 16.552 -3.743 1.00 0.00 C ATOM 1913 C TYR A 118 11.307 16.864 -2.948 1.00 0.00 C ATOM 1914 O TYR A 118 11.834 17.975 -3.009 1.00 0.00 O ATOM 1915 CB TYR A 118 8.898 16.208 -2.789 1.00 0.00 C ATOM 1916 CG TYR A 118 7.526 16.409 -3.391 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.336 16.359 -4.767 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.420 16.651 -2.585 1.00 0.00 C ATOM 1919 CE1 TYR A 118 6.084 16.544 -5.322 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.165 16.835 -3.131 1.00 0.00 C ATOM 1921 CZ TYR A 118 5.002 16.780 -4.500 1.00 0.00 C ATOM 1922 OH TYR A 118 3.753 16.965 -5.048 1.00 0.00 O ATOM 0 H TYR A 118 10.209 14.527 -4.257 1.00 0.00 H new ATOM 0 HA TYR A 118 9.772 17.436 -4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.999 15.169 -2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.986 16.823 -1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 118 8.181 16.172 -5.413 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.544 16.696 -1.513 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.954 16.504 -6.393 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.316 17.021 -2.490 1.00 0.00 H new ATOM 0 HH TYR A 118 3.101 17.119 -4.332 1.00 0.00 H new ATOM 1932 N SER A 119 11.788 15.875 -2.202 1.00 0.00 N ATOM 1933 CA SER A 119 12.988 16.043 -1.392 1.00 0.00 C ATOM 1934 C SER A 119 14.196 15.403 -2.070 1.00 0.00 C ATOM 1935 O SER A 119 14.782 14.453 -1.553 1.00 0.00 O ATOM 1936 CB SER A 119 12.784 15.428 -0.006 1.00 0.00 C ATOM 1937 OG SER A 119 11.873 16.196 0.763 1.00 0.00 O ATOM 0 H SER A 119 11.365 14.949 -2.142 1.00 0.00 H new ATOM 0 HA SER A 119 13.176 17.111 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.410 14.409 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.741 15.366 0.512 1.00 0.00 H new ATOM 0 HG SER A 119 11.758 15.782 1.644 1.00 0.00 H new