USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 758 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 102 HIS : no HE2:sc= 1.12 K(o=2.3,f=-3.9!) USER MOD Set 1.2: A 109 TYR OH : rot 51:sc= 1.22 USER MOD Set 2.1: A 38 LYS NZ :NH3+ 167:sc= -2.79! (180deg=-3.2!) USER MOD Set 2.2: A 106 THR OG1 : rot 162:sc= 1.2 USER MOD Set 3.1: A 30 GLN : amide:sc= -1.74! C(o=0.6!,f=-7.8!) USER MOD Set 3.2: A 33 LYS NZ :NH3+ -136:sc= 2.35 (180deg=-1.03) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.0932 (180deg=-0.388) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.06) USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= -1.69! (180deg=-3.24!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0488 X(o=-0.049,f=-0.0071) USER MOD Single : A 52 SER OG : rot 85:sc= 0.0121 USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 1.13 (180deg=-0.0545) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= -0.0275 (180deg=-0.284) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 83 SER OG : rot 83:sc= 0.163 USER MOD Single : A 84 ASN : amide:sc= -0.674 K(o=-0.67,f=-0.0031) USER MOD Single : A 86 HIS : no HD1:sc= -1.36! K(o=-1.4!,f=-0.0044) USER MOD Single : A 90 GLN : amide:sc= -3.17! K(o=-3.2!,f=-1.5) USER MOD Single : A 97 ASN : amide:sc= -0.63 X(o=-0.63,f=-1) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 16:sc= -0.942! USER MOD Single : A 114 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.74) USER MOD Single : A 116 TYR OH : rot -72:sc= -0.193 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot -42:sc= -0.11 USER MOD ----------------------------------------------------------------- ATOM 180 N ARG A 28 2.478 17.636 1.671 1.00 0.00 N ATOM 181 CA ARG A 28 1.089 17.504 1.258 1.00 0.00 C ATOM 182 C ARG A 28 0.936 16.736 -0.044 1.00 0.00 C ATOM 183 O ARG A 28 -0.072 16.075 -0.268 1.00 0.00 O ATOM 184 CB ARG A 28 0.489 18.870 1.088 1.00 0.00 C ATOM 185 CG ARG A 28 0.690 19.741 2.296 1.00 0.00 C ATOM 186 CD ARG A 28 -0.542 20.574 2.524 1.00 0.00 C ATOM 187 NE ARG A 28 -0.257 21.861 3.151 1.00 0.00 N ATOM 188 CZ ARG A 28 -1.123 22.521 3.920 1.00 0.00 C ATOM 189 NH1 ARG A 28 -2.364 22.076 4.069 1.00 0.00 N ATOM 190 NH2 ARG A 28 -0.762 23.651 4.509 1.00 0.00 N ATOM 0 HA ARG A 28 0.573 16.942 2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.934 19.353 0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.578 18.772 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.893 19.125 3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.557 20.386 2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.040 20.744 1.569 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.238 20.018 3.151 1.00 0.00 H new ATOM 0 HE ARG A 28 0.659 22.280 2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.661 21.224 3.594 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.021 22.586 4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.180 24.018 4.375 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.426 24.154 5.097 1.00 0.00 H new ATOM 204 N ASN A 29 1.926 16.839 -0.908 1.00 0.00 N ATOM 205 CA ASN A 29 1.857 16.211 -2.216 1.00 0.00 C ATOM 206 C ASN A 29 2.827 15.042 -2.283 1.00 0.00 C ATOM 207 O ASN A 29 3.747 14.958 -1.476 1.00 0.00 O ATOM 208 CB ASN A 29 2.117 17.219 -3.339 1.00 0.00 C ATOM 209 CG ASN A 29 3.581 17.604 -3.483 1.00 0.00 C ATOM 210 OD1 ASN A 29 4.347 16.937 -4.177 1.00 0.00 O ATOM 211 ND2 ASN A 29 3.968 18.705 -2.854 1.00 0.00 N ATOM 0 H ASN A 29 2.789 17.352 -0.729 1.00 0.00 H new ATOM 0 HA ASN A 29 0.846 15.831 -2.361 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.766 16.799 -4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.530 18.118 -3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.932 19.027 -2.936 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.301 19.230 -2.288 1.00 0.00 H new ATOM 218 N GLN A 30 2.610 14.153 -3.251 1.00 0.00 N ATOM 219 CA GLN A 30 3.241 12.833 -3.262 1.00 0.00 C ATOM 220 C GLN A 30 4.689 12.868 -3.766 1.00 0.00 C ATOM 221 O GLN A 30 4.941 13.069 -4.955 1.00 0.00 O ATOM 222 CB GLN A 30 2.427 11.891 -4.158 1.00 0.00 C ATOM 223 CG GLN A 30 2.966 10.467 -4.217 1.00 0.00 C ATOM 224 CD GLN A 30 2.431 9.685 -5.401 1.00 0.00 C ATOM 225 OE1 GLN A 30 3.039 9.670 -6.472 1.00 0.00 O ATOM 226 NE2 GLN A 30 1.299 9.027 -5.223 1.00 0.00 N ATOM 0 H GLN A 30 1.995 14.325 -4.046 1.00 0.00 H new ATOM 0 HA GLN A 30 3.261 12.479 -2.231 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.398 11.864 -3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.401 12.300 -5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.054 10.497 -4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.705 9.946 -3.296 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.824 9.064 -4.321 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.900 8.483 -5.988 1.00 0.00 H new ATOM 235 N PRO A 31 5.653 12.655 -2.850 1.00 0.00 N ATOM 236 CA PRO A 31 7.064 12.469 -3.195 1.00 0.00 C ATOM 237 C PRO A 31 7.324 11.066 -3.748 1.00 0.00 C ATOM 238 O PRO A 31 6.382 10.362 -4.126 1.00 0.00 O ATOM 239 CB PRO A 31 7.780 12.664 -1.855 1.00 0.00 C ATOM 240 CG PRO A 31 6.786 12.231 -0.837 1.00 0.00 C ATOM 241 CD PRO A 31 5.438 12.597 -1.390 1.00 0.00 C ATOM 0 HA PRO A 31 7.402 13.156 -3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.690 12.067 -1.800 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.072 13.704 -1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.855 11.158 -0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.964 12.727 0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.684 11.855 -1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.093 13.554 -0.999 1.00 0.00 H new ATOM 249 N LEU A 32 8.596 10.671 -3.814 1.00 0.00 N ATOM 250 CA LEU A 32 8.971 9.338 -4.284 1.00 0.00 C ATOM 251 C LEU A 32 8.133 8.255 -3.598 1.00 0.00 C ATOM 252 O LEU A 32 7.882 8.310 -2.391 1.00 0.00 O ATOM 253 CB LEU A 32 10.460 9.087 -4.045 1.00 0.00 C ATOM 254 CG LEU A 32 11.043 7.915 -4.833 1.00 0.00 C ATOM 255 CD1 LEU A 32 10.955 8.184 -6.327 1.00 0.00 C ATOM 256 CD2 LEU A 32 12.483 7.655 -4.424 1.00 0.00 C ATOM 0 H LEU A 32 9.386 11.258 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 32 8.774 9.291 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.013 9.991 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.618 8.907 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 32 10.457 7.024 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.374 7.340 -6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.911 8.318 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.516 9.087 -6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.878 6.817 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.083 8.544 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.522 7.418 -3.361 1.00 0.00 H new ATOM 268 N LYS A 33 7.707 7.275 -4.385 1.00 0.00 N ATOM 269 CA LYS A 33 6.765 6.262 -3.930 1.00 0.00 C ATOM 270 C LYS A 33 7.462 5.227 -3.050 1.00 0.00 C ATOM 271 O LYS A 33 8.044 4.266 -3.550 1.00 0.00 O ATOM 272 CB LYS A 33 6.106 5.569 -5.131 1.00 0.00 C ATOM 273 CG LYS A 33 5.091 6.422 -5.897 1.00 0.00 C ATOM 274 CD LYS A 33 5.637 6.976 -7.211 1.00 0.00 C ATOM 275 CE LYS A 33 6.531 8.193 -7.028 1.00 0.00 C ATOM 276 NZ LYS A 33 5.795 9.377 -6.509 1.00 0.00 N ATOM 0 H LYS A 33 8.004 7.161 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 33 5.995 6.757 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.887 5.254 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.607 4.666 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.205 5.822 -6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.773 7.251 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.200 6.194 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.802 7.242 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.340 7.944 -6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.991 8.447 -7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.084 10.225 -7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.772 9.229 -6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.013 9.507 -5.500 1.00 0.00 H new ATOM 290 N LYS A 34 7.413 5.445 -1.746 1.00 0.00 N ATOM 291 CA LYS A 34 8.101 4.575 -0.798 1.00 0.00 C ATOM 292 C LYS A 34 7.164 3.543 -0.165 1.00 0.00 C ATOM 293 O LYS A 34 7.521 2.376 -0.027 1.00 0.00 O ATOM 294 CB LYS A 34 8.735 5.427 0.299 1.00 0.00 C ATOM 295 CG LYS A 34 9.738 6.446 -0.217 1.00 0.00 C ATOM 296 CD LYS A 34 11.062 5.808 -0.589 1.00 0.00 C ATOM 297 CE LYS A 34 12.056 6.860 -1.050 1.00 0.00 C ATOM 298 NZ LYS A 34 12.350 7.858 0.014 1.00 0.00 N ATOM 0 H LYS A 34 6.904 6.217 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 34 8.865 4.026 -1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.947 5.949 0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.233 4.771 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.323 6.953 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.905 7.207 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.466 5.271 0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.908 5.075 -1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.982 6.373 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.660 7.372 -1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.193 8.407 -0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.539 8.499 0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.524 7.366 0.913 1.00 0.00 H new ATOM 312 N GLU A 35 5.965 3.977 0.203 1.00 0.00 N ATOM 313 CA GLU A 35 5.058 3.159 1.011 1.00 0.00 C ATOM 314 C GLU A 35 4.523 1.946 0.246 1.00 0.00 C ATOM 315 O GLU A 35 4.463 1.933 -0.985 1.00 0.00 O ATOM 316 CB GLU A 35 3.891 4.018 1.497 1.00 0.00 C ATOM 317 CG GLU A 35 2.973 3.328 2.493 1.00 0.00 C ATOM 318 CD GLU A 35 3.709 2.789 3.697 1.00 0.00 C ATOM 319 OE1 GLU A 35 3.870 3.535 4.681 1.00 0.00 O ATOM 320 OE2 GLU A 35 4.128 1.615 3.663 1.00 0.00 O ATOM 0 H GLU A 35 5.593 4.894 -0.045 1.00 0.00 H new ATOM 0 HA GLU A 35 5.629 2.780 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.289 4.923 1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.302 4.330 0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.211 4.033 2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.454 2.509 1.994 1.00 0.00 H new ATOM 327 N LYS A 36 4.124 0.944 1.013 1.00 0.00 N ATOM 328 CA LYS A 36 3.591 -0.304 0.489 1.00 0.00 C ATOM 329 C LYS A 36 2.065 -0.227 0.459 1.00 0.00 C ATOM 330 O LYS A 36 1.480 0.622 1.133 1.00 0.00 O ATOM 331 CB LYS A 36 4.026 -1.457 1.387 1.00 0.00 C ATOM 332 CG LYS A 36 5.484 -1.404 1.811 1.00 0.00 C ATOM 333 CD LYS A 36 6.434 -1.346 0.637 1.00 0.00 C ATOM 334 CE LYS A 36 7.840 -1.094 1.137 1.00 0.00 C ATOM 335 NZ LYS A 36 8.042 0.316 1.569 1.00 0.00 N ATOM 0 H LYS A 36 4.162 0.975 2.032 1.00 0.00 H new ATOM 0 HA LYS A 36 3.968 -0.469 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.400 -1.463 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.846 -2.397 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.642 -0.531 2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.714 -2.281 2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.397 -2.282 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.133 -0.554 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.051 -1.761 1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.552 -1.336 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.058 0.499 1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.660 0.959 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.549 0.477 2.471 1.00 0.00 H new ATOM 349 N PRO A 37 1.393 -1.085 -0.330 1.00 0.00 N ATOM 350 CA PRO A 37 -0.074 -1.095 -0.406 1.00 0.00 C ATOM 351 C PRO A 37 -0.723 -1.533 0.908 1.00 0.00 C ATOM 352 O PRO A 37 -0.264 -2.472 1.557 1.00 0.00 O ATOM 353 CB PRO A 37 -0.381 -2.089 -1.530 1.00 0.00 C ATOM 354 CG PRO A 37 0.909 -2.278 -2.257 1.00 0.00 C ATOM 355 CD PRO A 37 1.986 -2.090 -1.226 1.00 0.00 C ATOM 0 HA PRO A 37 -0.475 -0.099 -0.596 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.748 -3.034 -1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.154 -1.703 -2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.964 -3.270 -2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.012 -1.556 -3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.213 -3.018 -0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.917 -1.739 -1.671 1.00 0.00 H new ATOM 363 N LYS A 38 -1.795 -0.849 1.288 1.00 0.00 N ATOM 364 CA LYS A 38 -2.448 -1.074 2.577 1.00 0.00 C ATOM 365 C LYS A 38 -3.813 -1.718 2.414 1.00 0.00 C ATOM 366 O LYS A 38 -4.501 -1.448 1.429 1.00 0.00 O ATOM 367 CB LYS A 38 -2.580 0.227 3.359 1.00 0.00 C ATOM 368 CG LYS A 38 -1.290 0.654 4.035 1.00 0.00 C ATOM 369 CD LYS A 38 -1.005 2.126 3.815 1.00 0.00 C ATOM 370 CE LYS A 38 -0.784 2.423 2.344 1.00 0.00 C ATOM 371 NZ LYS A 38 -0.260 3.796 2.132 1.00 0.00 N ATOM 0 H LYS A 38 -2.236 -0.127 0.718 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.813 -1.761 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.907 1.017 2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.357 0.112 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.354 0.451 5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.462 0.061 3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.838 2.721 4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.123 2.419 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.084 1.698 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.723 2.305 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.084 3.889 1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.019 4.487 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.523 3.975 2.793 1.00 0.00 H new ATOM 385 N TRP A 39 -4.170 -2.520 3.433 1.00 0.00 N ATOM 386 CA TRP A 39 -5.348 -3.417 3.470 1.00 0.00 C ATOM 387 C TRP A 39 -4.880 -4.841 3.803 1.00 0.00 C ATOM 388 O TRP A 39 -5.684 -5.755 3.987 1.00 0.00 O ATOM 389 CB TRP A 39 -6.133 -3.442 2.142 1.00 0.00 C ATOM 390 CG TRP A 39 -5.677 -4.523 1.199 1.00 0.00 C ATOM 391 CD1 TRP A 39 -4.446 -4.636 0.609 1.00 0.00 C ATOM 392 CD2 TRP A 39 -6.441 -5.648 0.744 1.00 0.00 C ATOM 393 NE1 TRP A 39 -4.404 -5.759 -0.177 1.00 0.00 N ATOM 394 CE2 TRP A 39 -5.614 -6.394 -0.117 1.00 0.00 C ATOM 395 CE3 TRP A 39 -7.745 -6.096 0.977 1.00 0.00 C ATOM 396 CZ2 TRP A 39 -6.044 -7.561 -0.740 1.00 0.00 C ATOM 397 CZ3 TRP A 39 -8.168 -7.255 0.357 1.00 0.00 C ATOM 398 CH2 TRP A 39 -7.322 -7.975 -0.492 1.00 0.00 C ATOM 0 H TRP A 39 -3.624 -2.566 4.293 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.023 -3.031 4.234 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.192 -3.581 2.357 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.032 -2.475 1.650 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.629 -3.943 0.743 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.599 -6.071 -0.720 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.408 -5.546 1.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.392 -8.119 -1.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -9.172 -7.612 0.531 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.686 -8.877 -0.961 1.00 0.00 H new ATOM 409 N LYS A 40 -3.563 -5.012 3.894 1.00 0.00 N ATOM 410 CA LYS A 40 -2.955 -6.325 3.936 1.00 0.00 C ATOM 411 C LYS A 40 -2.250 -6.549 5.278 1.00 0.00 C ATOM 412 O LYS A 40 -1.803 -5.600 5.924 1.00 0.00 O ATOM 413 CB LYS A 40 -1.976 -6.417 2.756 1.00 0.00 C ATOM 414 CG LYS A 40 -1.533 -7.821 2.380 1.00 0.00 C ATOM 415 CD LYS A 40 -0.280 -8.257 3.121 1.00 0.00 C ATOM 416 CE LYS A 40 0.916 -7.346 2.835 1.00 0.00 C ATOM 417 NZ LYS A 40 0.966 -6.167 3.749 1.00 0.00 N ATOM 0 H LYS A 40 -2.895 -4.242 3.940 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.710 -7.106 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.441 -5.956 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.091 -5.827 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.340 -8.522 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.349 -7.865 1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.479 -8.264 4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.030 -9.279 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.838 -7.919 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.867 -7.000 1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.957 -5.912 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.478 -5.363 3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.498 -6.404 4.647 1.00 0.00 H new ATOM 431 N SER A 41 -2.168 -7.811 5.685 1.00 0.00 N ATOM 432 CA SER A 41 -1.532 -8.199 6.945 1.00 0.00 C ATOM 433 C SER A 41 -0.036 -7.893 6.933 1.00 0.00 C ATOM 434 O SER A 41 0.590 -7.924 5.875 1.00 0.00 O ATOM 435 CB SER A 41 -1.739 -9.705 7.160 1.00 0.00 C ATOM 436 OG SER A 41 -3.101 -10.001 7.412 1.00 0.00 O ATOM 0 H SER A 41 -2.540 -8.597 5.152 1.00 0.00 H new ATOM 0 HA SER A 41 -1.987 -7.627 7.753 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.402 -10.251 6.279 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.129 -10.043 7.998 1.00 0.00 H new ATOM 0 HG SER A 41 -3.207 -10.966 7.544 1.00 0.00 H new ATOM 442 N ASP A 42 0.538 -7.586 8.095 1.00 0.00 N ATOM 443 CA ASP A 42 1.990 -7.442 8.199 1.00 0.00 C ATOM 444 C ASP A 42 2.631 -8.730 7.728 1.00 0.00 C ATOM 445 O ASP A 42 3.516 -8.734 6.875 1.00 0.00 O ATOM 446 CB ASP A 42 2.431 -7.153 9.637 1.00 0.00 C ATOM 447 CG ASP A 42 1.983 -5.799 10.132 1.00 0.00 C ATOM 448 OD1 ASP A 42 2.697 -4.804 9.885 1.00 0.00 O ATOM 449 OD2 ASP A 42 0.928 -5.724 10.793 1.00 0.00 O ATOM 0 H ASP A 42 0.030 -7.434 8.966 1.00 0.00 H new ATOM 0 HA ASP A 42 2.302 -6.599 7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.032 -7.924 10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.518 -7.214 9.697 1.00 0.00 H new ATOM 454 N TYR A 43 2.143 -9.823 8.288 1.00 0.00 N ATOM 455 CA TYR A 43 2.501 -11.144 7.832 1.00 0.00 C ATOM 456 C TYR A 43 1.270 -12.031 7.829 1.00 0.00 C ATOM 457 O TYR A 43 0.806 -12.469 8.884 1.00 0.00 O ATOM 458 CB TYR A 43 3.586 -11.769 8.711 1.00 0.00 C ATOM 459 CG TYR A 43 4.031 -13.130 8.215 1.00 0.00 C ATOM 460 CD1 TYR A 43 5.014 -13.245 7.243 1.00 0.00 C ATOM 461 CD2 TYR A 43 3.453 -14.295 8.705 1.00 0.00 C ATOM 462 CE1 TYR A 43 5.410 -14.484 6.773 1.00 0.00 C ATOM 463 CE2 TYR A 43 3.839 -15.535 8.236 1.00 0.00 C ATOM 464 CZ TYR A 43 4.818 -15.624 7.271 1.00 0.00 C ATOM 465 OH TYR A 43 5.197 -16.859 6.795 1.00 0.00 O ATOM 0 H TYR A 43 1.489 -9.814 9.070 1.00 0.00 H new ATOM 0 HA TYR A 43 2.899 -11.056 6.821 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.447 -11.101 8.748 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.212 -11.863 9.730 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.477 -12.353 6.847 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.689 -14.229 9.465 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.180 -14.558 6.019 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.376 -16.430 8.624 1.00 0.00 H new ATOM 0 HH TYR A 43 4.683 -17.557 7.252 1.00 0.00 H new ATOM 475 N PRO A 44 0.693 -12.270 6.653 1.00 0.00 N ATOM 476 CA PRO A 44 -0.396 -13.220 6.507 1.00 0.00 C ATOM 477 C PRO A 44 0.115 -14.632 6.750 1.00 0.00 C ATOM 478 O PRO A 44 1.156 -15.025 6.221 1.00 0.00 O ATOM 479 CB PRO A 44 -0.852 -13.048 5.054 1.00 0.00 C ATOM 480 CG PRO A 44 -0.199 -11.794 4.572 1.00 0.00 C ATOM 481 CD PRO A 44 1.055 -11.643 5.380 1.00 0.00 C ATOM 0 HA PRO A 44 -1.208 -13.053 7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.555 -13.903 4.446 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.938 -12.974 4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.028 -11.857 3.508 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.856 -10.935 4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.903 -12.141 4.910 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.331 -10.596 5.508 1.00 0.00 H new ATOM 489 N MET A 45 -0.594 -15.381 7.575 1.00 0.00 N ATOM 490 CA MET A 45 -0.140 -16.707 7.951 1.00 0.00 C ATOM 491 C MET A 45 -0.709 -17.759 7.009 1.00 0.00 C ATOM 492 O MET A 45 -0.034 -18.200 6.083 1.00 0.00 O ATOM 493 CB MET A 45 -0.524 -17.015 9.401 1.00 0.00 C ATOM 494 CG MET A 45 0.570 -17.718 10.187 1.00 0.00 C ATOM 495 SD MET A 45 1.059 -19.298 9.467 1.00 0.00 S ATOM 496 CE MET A 45 2.297 -19.832 10.647 1.00 0.00 C ATOM 0 H MET A 45 -1.479 -15.097 7.994 1.00 0.00 H new ATOM 0 HA MET A 45 0.947 -16.732 7.871 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.780 -16.083 9.905 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.419 -17.637 9.406 1.00 0.00 H new ATOM 0 HG2 MET A 45 1.442 -17.067 10.245 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.226 -17.882 11.208 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.698 -20.798 10.342 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.104 -19.100 10.684 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.844 -19.923 11.634 1.00 0.00 H new ATOM 506 N THR A 46 -1.946 -18.163 7.246 1.00 0.00 N ATOM 507 CA THR A 46 -2.597 -19.139 6.391 1.00 0.00 C ATOM 508 C THR A 46 -3.793 -18.521 5.672 1.00 0.00 C ATOM 509 O THR A 46 -4.051 -17.323 5.813 1.00 0.00 O ATOM 510 CB THR A 46 -3.065 -20.359 7.197 1.00 0.00 C ATOM 511 OG1 THR A 46 -4.120 -19.972 8.084 1.00 0.00 O ATOM 512 CG2 THR A 46 -1.921 -20.952 8.006 1.00 0.00 C ATOM 0 H THR A 46 -2.518 -17.830 8.022 1.00 0.00 H new ATOM 0 HA THR A 46 -1.863 -19.463 5.654 1.00 0.00 H new ATOM 0 HB THR A 46 -3.423 -21.114 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.419 -20.752 8.597 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.281 -21.814 8.567 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.123 -21.264 7.333 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.539 -20.202 8.699 1.00 0.00 H new ATOM 520 N ASP A 47 -4.533 -19.333 4.927 1.00 0.00 N ATOM 521 CA ASP A 47 -5.700 -18.843 4.202 1.00 0.00 C ATOM 522 C ASP A 47 -6.814 -18.436 5.163 1.00 0.00 C ATOM 523 O ASP A 47 -7.526 -17.462 4.925 1.00 0.00 O ATOM 524 CB ASP A 47 -6.221 -19.905 3.236 1.00 0.00 C ATOM 525 CG ASP A 47 -7.122 -19.317 2.170 1.00 0.00 C ATOM 526 OD1 ASP A 47 -6.600 -18.903 1.115 1.00 0.00 O ATOM 527 OD2 ASP A 47 -8.349 -19.264 2.383 1.00 0.00 O ATOM 0 H ASP A 47 -4.348 -20.329 4.809 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.389 -17.965 3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.378 -20.406 2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.769 -20.664 3.794 1.00 0.00 H new ATOM 532 N GLY A 48 -6.955 -19.184 6.254 1.00 0.00 N ATOM 533 CA GLY A 48 -7.971 -18.874 7.249 1.00 0.00 C ATOM 534 C GLY A 48 -7.736 -17.524 7.894 1.00 0.00 C ATOM 535 O GLY A 48 -8.667 -16.745 8.096 1.00 0.00 O ATOM 0 H GLY A 48 -6.383 -20.001 6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.955 -18.886 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.975 -19.648 8.017 1.00 0.00 H new ATOM 539 N GLN A 49 -6.484 -17.237 8.207 1.00 0.00 N ATOM 540 CA GLN A 49 -6.120 -15.935 8.746 1.00 0.00 C ATOM 541 C GLN A 49 -6.296 -14.872 7.679 1.00 0.00 C ATOM 542 O GLN A 49 -6.738 -13.763 7.962 1.00 0.00 O ATOM 543 CB GLN A 49 -4.678 -15.950 9.238 1.00 0.00 C ATOM 544 CG GLN A 49 -4.452 -16.960 10.340 1.00 0.00 C ATOM 545 CD GLN A 49 -5.053 -16.527 11.661 1.00 0.00 C ATOM 546 OE1 GLN A 49 -4.400 -15.858 12.462 1.00 0.00 O ATOM 547 NE2 GLN A 49 -6.297 -16.908 11.907 1.00 0.00 N ATOM 0 H GLN A 49 -5.704 -17.885 8.098 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.772 -15.707 9.589 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.015 -16.174 8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.411 -14.957 9.599 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.884 -17.916 10.045 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.381 -17.119 10.467 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.806 -17.462 11.218 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.746 -16.648 12.785 1.00 0.00 H new ATOM 556 N LEU A 50 -5.963 -15.235 6.451 1.00 0.00 N ATOM 557 CA LEU A 50 -6.102 -14.336 5.318 1.00 0.00 C ATOM 558 C LEU A 50 -7.561 -13.910 5.164 1.00 0.00 C ATOM 559 O LEU A 50 -7.860 -12.729 5.174 1.00 0.00 O ATOM 560 CB LEU A 50 -5.604 -15.019 4.036 1.00 0.00 C ATOM 561 CG LEU A 50 -4.974 -14.101 2.978 1.00 0.00 C ATOM 562 CD1 LEU A 50 -4.485 -14.919 1.794 1.00 0.00 C ATOM 563 CD2 LEU A 50 -5.956 -13.035 2.511 1.00 0.00 C ATOM 0 H LEU A 50 -5.591 -16.155 6.213 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.496 -13.447 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.870 -15.775 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.444 -15.543 3.579 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.124 -13.596 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.041 -14.255 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.738 -15.637 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.325 -15.452 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.478 -12.403 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.833 -13.514 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.261 -12.424 3.361 1.00 0.00 H new ATOM 575 N ARG A 51 -8.460 -14.881 5.053 1.00 0.00 N ATOM 576 CA ARG A 51 -9.881 -14.604 4.829 1.00 0.00 C ATOM 577 C ARG A 51 -10.475 -13.737 5.948 1.00 0.00 C ATOM 578 O ARG A 51 -11.170 -12.747 5.681 1.00 0.00 O ATOM 579 CB ARG A 51 -10.662 -15.920 4.693 1.00 0.00 C ATOM 580 CG ARG A 51 -10.676 -16.762 5.956 1.00 0.00 C ATOM 581 CD ARG A 51 -11.227 -18.152 5.716 1.00 0.00 C ATOM 582 NE ARG A 51 -10.387 -18.935 4.816 1.00 0.00 N ATOM 583 CZ ARG A 51 -10.197 -20.245 4.941 1.00 0.00 C ATOM 584 NH1 ARG A 51 -10.826 -20.932 5.887 1.00 0.00 N ATOM 585 NH2 ARG A 51 -9.404 -20.882 4.099 1.00 0.00 N ATOM 0 H ARG A 51 -8.232 -15.873 5.114 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.968 -14.041 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.689 -15.693 4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.228 -16.506 3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.662 -16.839 6.350 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.276 -16.262 6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.318 -18.673 6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.230 -18.075 5.297 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.920 -18.451 4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.462 -20.455 6.526 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.673 -21.937 5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.936 -20.369 3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.259 -21.887 4.196 1.00 0.00 H new ATOM 599 N SER A 52 -10.195 -14.098 7.196 1.00 0.00 N ATOM 600 CA SER A 52 -10.737 -13.377 8.336 1.00 0.00 C ATOM 601 C SER A 52 -10.159 -11.972 8.423 1.00 0.00 C ATOM 602 O SER A 52 -10.903 -10.993 8.488 1.00 0.00 O ATOM 603 CB SER A 52 -10.470 -14.146 9.630 1.00 0.00 C ATOM 604 OG SER A 52 -11.166 -15.381 9.632 1.00 0.00 O ATOM 0 H SER A 52 -9.596 -14.886 7.441 1.00 0.00 H new ATOM 0 HA SER A 52 -11.815 -13.289 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.400 -14.326 9.738 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.781 -13.547 10.486 1.00 0.00 H new ATOM 0 HG SER A 52 -10.633 -16.058 9.164 1.00 0.00 H new ATOM 610 N LYS A 53 -8.836 -11.871 8.394 1.00 0.00 N ATOM 611 CA LYS A 53 -8.177 -10.573 8.491 1.00 0.00 C ATOM 612 C LYS A 53 -8.467 -9.714 7.267 1.00 0.00 C ATOM 613 O LYS A 53 -8.564 -8.498 7.374 1.00 0.00 O ATOM 614 CB LYS A 53 -6.668 -10.738 8.694 1.00 0.00 C ATOM 615 CG LYS A 53 -6.270 -10.943 10.150 1.00 0.00 C ATOM 616 CD LYS A 53 -6.988 -12.124 10.776 1.00 0.00 C ATOM 617 CE LYS A 53 -6.687 -12.244 12.257 1.00 0.00 C ATOM 618 NZ LYS A 53 -7.019 -10.998 12.999 1.00 0.00 N ATOM 0 H LYS A 53 -8.202 -12.665 8.305 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.583 -10.060 9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.321 -11.589 8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.159 -9.855 8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.193 -11.099 10.213 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.495 -10.040 10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.063 -12.015 10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.690 -13.041 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.253 -13.076 12.675 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.631 -12.476 12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.026 -11.194 14.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.306 -10.270 12.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.957 -10.659 12.705 1.00 0.00 H new ATOM 632 N ARG A 54 -8.622 -10.352 6.110 1.00 0.00 N ATOM 633 CA ARG A 54 -8.975 -9.640 4.884 1.00 0.00 C ATOM 634 C ARG A 54 -10.249 -8.844 5.097 1.00 0.00 C ATOM 635 O ARG A 54 -10.315 -7.661 4.776 1.00 0.00 O ATOM 636 CB ARG A 54 -9.187 -10.617 3.726 1.00 0.00 C ATOM 637 CG ARG A 54 -9.428 -9.937 2.391 1.00 0.00 C ATOM 638 CD ARG A 54 -10.042 -10.887 1.373 1.00 0.00 C ATOM 639 NE ARG A 54 -9.226 -12.079 1.135 1.00 0.00 N ATOM 640 CZ ARG A 54 -8.903 -12.519 -0.079 1.00 0.00 C ATOM 641 NH1 ARG A 54 -9.266 -11.829 -1.152 1.00 0.00 N ATOM 642 NH2 ARG A 54 -8.220 -13.647 -0.218 1.00 0.00 N ATOM 0 H ARG A 54 -8.509 -11.359 5.995 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.153 -8.969 4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.313 -11.263 3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.037 -11.260 3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.088 -9.081 2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.485 -9.551 2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.029 -11.193 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.185 -10.358 0.431 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.887 -12.601 1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.792 -10.962 -1.047 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.019 -12.166 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.941 -14.179 0.606 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.973 -13.982 -1.149 1.00 0.00 H new ATOM 656 N ASP A 55 -11.253 -9.507 5.661 1.00 0.00 N ATOM 657 CA ASP A 55 -12.537 -8.882 5.926 1.00 0.00 C ATOM 658 C ASP A 55 -12.388 -7.759 6.945 1.00 0.00 C ATOM 659 O ASP A 55 -12.889 -6.651 6.736 1.00 0.00 O ATOM 660 CB ASP A 55 -13.508 -9.938 6.435 1.00 0.00 C ATOM 661 CG ASP A 55 -14.891 -9.388 6.720 1.00 0.00 C ATOM 662 OD1 ASP A 55 -15.524 -8.843 5.792 1.00 0.00 O ATOM 663 OD2 ASP A 55 -15.361 -9.525 7.867 1.00 0.00 O ATOM 0 H ASP A 55 -11.198 -10.485 5.944 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.923 -8.447 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.586 -10.736 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.106 -10.383 7.345 1.00 0.00 H new ATOM 668 N GLU A 56 -11.689 -8.058 8.040 1.00 0.00 N ATOM 669 CA GLU A 56 -11.406 -7.063 9.080 1.00 0.00 C ATOM 670 C GLU A 56 -10.773 -5.811 8.474 1.00 0.00 C ATOM 671 O GLU A 56 -11.194 -4.688 8.754 1.00 0.00 O ATOM 672 CB GLU A 56 -10.467 -7.639 10.147 1.00 0.00 C ATOM 673 CG GLU A 56 -10.997 -8.886 10.840 1.00 0.00 C ATOM 674 CD GLU A 56 -10.074 -9.377 11.941 1.00 0.00 C ATOM 675 OE1 GLU A 56 -8.858 -9.513 11.690 1.00 0.00 O ATOM 676 OE2 GLU A 56 -10.563 -9.648 13.059 1.00 0.00 O ATOM 0 H GLU A 56 -11.306 -8.984 8.232 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.354 -6.796 9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.509 -7.875 9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.277 -6.873 10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.979 -8.673 11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.131 -9.678 10.103 1.00 0.00 H new ATOM 683 N PHE A 57 -9.759 -6.019 7.642 1.00 0.00 N ATOM 684 CA PHE A 57 -9.084 -4.923 6.957 1.00 0.00 C ATOM 685 C PHE A 57 -10.006 -4.232 5.963 1.00 0.00 C ATOM 686 O PHE A 57 -9.976 -3.014 5.842 1.00 0.00 O ATOM 687 CB PHE A 57 -7.841 -5.422 6.232 1.00 0.00 C ATOM 688 CG PHE A 57 -6.639 -5.597 7.126 1.00 0.00 C ATOM 689 CD1 PHE A 57 -5.972 -4.492 7.631 1.00 0.00 C ATOM 690 CD2 PHE A 57 -6.172 -6.861 7.457 1.00 0.00 C ATOM 691 CE1 PHE A 57 -4.866 -4.642 8.445 1.00 0.00 C ATOM 692 CE2 PHE A 57 -5.066 -7.016 8.273 1.00 0.00 C ATOM 693 CZ PHE A 57 -4.413 -5.906 8.767 1.00 0.00 C ATOM 0 H PHE A 57 -9.384 -6.943 7.425 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.792 -4.200 7.719 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.069 -6.376 5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.590 -4.720 5.437 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.322 -3.500 7.385 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.678 -7.734 7.073 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.356 -3.771 8.829 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.714 -8.006 8.523 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.549 -6.025 9.404 1.00 0.00 H new ATOM 703 N TRP A 58 -10.805 -5.014 5.247 1.00 0.00 N ATOM 704 CA TRP A 58 -11.774 -4.468 4.288 1.00 0.00 C ATOM 705 C TRP A 58 -12.700 -3.434 4.926 1.00 0.00 C ATOM 706 O TRP A 58 -13.138 -2.497 4.258 1.00 0.00 O ATOM 707 CB TRP A 58 -12.612 -5.575 3.642 1.00 0.00 C ATOM 708 CG TRP A 58 -12.093 -6.011 2.305 1.00 0.00 C ATOM 709 CD1 TRP A 58 -11.745 -7.274 1.929 1.00 0.00 C ATOM 710 CD2 TRP A 58 -11.860 -5.174 1.163 1.00 0.00 C ATOM 711 NE1 TRP A 58 -11.321 -7.278 0.619 1.00 0.00 N ATOM 712 CE2 TRP A 58 -11.377 -5.999 0.131 1.00 0.00 C ATOM 713 CE3 TRP A 58 -12.018 -3.807 0.913 1.00 0.00 C ATOM 714 CZ2 TRP A 58 -11.047 -5.499 -1.131 1.00 0.00 C ATOM 715 CZ3 TRP A 58 -11.690 -3.316 -0.335 1.00 0.00 C ATOM 716 CH2 TRP A 58 -11.210 -4.159 -1.343 1.00 0.00 C ATOM 0 H TRP A 58 -10.805 -6.032 5.309 1.00 0.00 H new ATOM 0 HA TRP A 58 -11.187 -3.971 3.516 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -12.641 -6.435 4.310 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -13.638 -5.225 3.529 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -11.795 -8.145 2.566 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -11.015 -8.099 0.097 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -12.390 -3.147 1.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -10.677 -6.148 -1.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -11.806 -2.261 -0.537 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.963 -3.742 -2.308 1.00 0.00 H new ATOM 727 N ASP A 59 -12.994 -3.598 6.212 1.00 0.00 N ATOM 728 CA ASP A 59 -13.808 -2.623 6.943 1.00 0.00 C ATOM 729 C ASP A 59 -13.078 -1.291 7.089 1.00 0.00 C ATOM 730 O ASP A 59 -13.692 -0.262 7.377 1.00 0.00 O ATOM 731 CB ASP A 59 -14.168 -3.143 8.327 1.00 0.00 C ATOM 732 CG ASP A 59 -15.184 -4.266 8.294 1.00 0.00 C ATOM 733 OD1 ASP A 59 -16.388 -3.981 8.118 1.00 0.00 O ATOM 734 OD2 ASP A 59 -14.790 -5.437 8.462 1.00 0.00 O ATOM 0 H ASP A 59 -12.684 -4.393 6.771 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.719 -2.470 6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.263 -3.494 8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.562 -2.322 8.926 1.00 0.00 H new ATOM 739 N THR A 60 -11.765 -1.324 6.920 1.00 0.00 N ATOM 740 CA THR A 60 -10.942 -0.127 7.007 1.00 0.00 C ATOM 741 C THR A 60 -10.442 0.274 5.616 1.00 0.00 C ATOM 742 O THR A 60 -9.992 1.399 5.391 1.00 0.00 O ATOM 743 CB THR A 60 -9.736 -0.369 7.938 1.00 0.00 C ATOM 744 OG1 THR A 60 -10.186 -0.973 9.158 1.00 0.00 O ATOM 745 CG2 THR A 60 -9.010 0.931 8.258 1.00 0.00 C ATOM 0 H THR A 60 -11.242 -2.176 6.720 1.00 0.00 H new ATOM 0 HA THR A 60 -11.551 0.679 7.416 1.00 0.00 H new ATOM 0 HB THR A 60 -9.040 -1.032 7.424 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.419 -1.128 9.748 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.166 0.724 8.916 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.648 1.382 7.334 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.696 1.618 8.753 1.00 0.00 H new ATOM 753 N ALA A 61 -10.535 -0.666 4.687 1.00 0.00 N ATOM 754 CA ALA A 61 -10.080 -0.459 3.324 1.00 0.00 C ATOM 755 C ALA A 61 -11.074 0.391 2.529 1.00 0.00 C ATOM 756 O ALA A 61 -12.182 0.647 2.999 1.00 0.00 O ATOM 757 CB ALA A 61 -9.848 -1.805 2.655 1.00 0.00 C ATOM 0 H ALA A 61 -10.928 -1.592 4.858 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.138 0.090 3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.506 -1.649 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.092 -2.361 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.779 -2.371 2.644 1.00 0.00 H new ATOM 763 N PRO A 62 -10.697 0.848 1.320 1.00 0.00 N ATOM 764 CA PRO A 62 -11.544 1.738 0.511 1.00 0.00 C ATOM 765 C PRO A 62 -12.898 1.117 0.154 1.00 0.00 C ATOM 766 O PRO A 62 -13.949 1.730 0.367 1.00 0.00 O ATOM 767 CB PRO A 62 -10.699 1.962 -0.749 1.00 0.00 C ATOM 768 CG PRO A 62 -9.774 0.802 -0.797 1.00 0.00 C ATOM 769 CD PRO A 62 -9.429 0.541 0.633 1.00 0.00 C ATOM 0 HA PRO A 62 -11.801 2.653 1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.324 2.007 -1.641 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.151 2.903 -0.696 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.248 -0.066 -1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.885 1.027 -1.385 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.118 -0.491 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.614 1.178 0.978 1.00 0.00 H new ATOM 822 N GLY A 66 -16.040 6.666 -1.366 1.00 0.00 N ATOM 823 CA GLY A 66 -15.263 7.682 -2.036 1.00 0.00 C ATOM 824 C GLY A 66 -15.948 8.220 -3.276 1.00 0.00 C ATOM 825 O GLY A 66 -17.109 8.623 -3.228 1.00 0.00 O ATOM 0 HA2 GLY A 66 -15.074 8.504 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.293 7.268 -2.312 1.00 0.00 H new ATOM 829 N ARG A 67 -15.223 8.211 -4.384 1.00 0.00 N ATOM 830 CA ARG A 67 -15.708 8.752 -5.647 1.00 0.00 C ATOM 831 C ARG A 67 -15.209 7.896 -6.807 1.00 0.00 C ATOM 832 O ARG A 67 -14.013 7.651 -6.937 1.00 0.00 O ATOM 833 CB ARG A 67 -15.212 10.189 -5.842 1.00 0.00 C ATOM 834 CG ARG A 67 -15.810 11.206 -4.883 1.00 0.00 C ATOM 835 CD ARG A 67 -17.249 11.546 -5.232 1.00 0.00 C ATOM 836 NE ARG A 67 -18.189 10.504 -4.813 1.00 0.00 N ATOM 837 CZ ARG A 67 -19.431 10.383 -5.282 1.00 0.00 C ATOM 838 NH1 ARG A 67 -19.824 11.105 -6.330 1.00 0.00 N ATOM 839 NH2 ARG A 67 -20.259 9.490 -4.742 1.00 0.00 N ATOM 0 H ARG A 67 -14.279 7.828 -4.434 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.798 8.746 -5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -14.128 10.202 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.434 10.499 -6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.767 10.814 -3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.209 12.115 -4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.521 12.489 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.333 11.695 -6.309 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.873 9.828 -4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -19.174 11.752 -6.776 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -20.775 11.010 -6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -19.942 8.901 -3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -21.210 9.395 -5.099 1.00 0.00 H new ATOM 853 N LYS A 68 -16.125 7.443 -7.649 1.00 0.00 N ATOM 854 CA LYS A 68 -15.757 6.685 -8.838 1.00 0.00 C ATOM 855 C LYS A 68 -15.095 7.600 -9.856 1.00 0.00 C ATOM 856 O LYS A 68 -14.291 7.160 -10.678 1.00 0.00 O ATOM 857 CB LYS A 68 -16.982 6.027 -9.469 1.00 0.00 C ATOM 858 CG LYS A 68 -17.700 5.060 -8.551 1.00 0.00 C ATOM 859 CD LYS A 68 -16.804 3.904 -8.140 1.00 0.00 C ATOM 860 CE LYS A 68 -17.579 2.862 -7.361 1.00 0.00 C ATOM 861 NZ LYS A 68 -18.616 2.189 -8.194 1.00 0.00 N ATOM 0 H LYS A 68 -17.128 7.586 -7.532 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.058 5.905 -8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.680 6.804 -9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.674 5.497 -10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.042 5.589 -7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.587 4.672 -9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.365 3.447 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.979 4.277 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.888 2.115 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.056 3.334 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.930 1.318 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.428 2.827 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.215 1.952 -9.124 1.00 0.00 H new ATOM 875 N GLU A 69 -15.446 8.879 -9.790 1.00 0.00 N ATOM 876 CA GLU A 69 -14.895 9.883 -10.692 1.00 0.00 C ATOM 877 C GLU A 69 -13.378 9.977 -10.543 1.00 0.00 C ATOM 878 O GLU A 69 -12.645 10.049 -11.530 1.00 0.00 O ATOM 879 CB GLU A 69 -15.519 11.258 -10.424 1.00 0.00 C ATOM 880 CG GLU A 69 -17.040 11.264 -10.368 1.00 0.00 C ATOM 881 CD GLU A 69 -17.576 11.063 -8.963 1.00 0.00 C ATOM 882 OE1 GLU A 69 -17.578 9.912 -8.478 1.00 0.00 O ATOM 883 OE2 GLU A 69 -17.993 12.058 -8.336 1.00 0.00 O ATOM 0 H GLU A 69 -16.116 9.247 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.133 9.575 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.132 11.640 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.195 11.948 -11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.410 12.211 -10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.426 10.477 -11.016 1.00 0.00 H new ATOM 890 N ILE A 70 -12.907 9.960 -9.302 1.00 0.00 N ATOM 891 CA ILE A 70 -11.485 10.116 -9.027 1.00 0.00 C ATOM 892 C ILE A 70 -10.733 8.795 -9.230 1.00 0.00 C ATOM 893 O ILE A 70 -9.528 8.793 -9.496 1.00 0.00 O ATOM 894 CB ILE A 70 -11.237 10.659 -7.598 1.00 0.00 C ATOM 895 CG1 ILE A 70 -9.740 10.914 -7.385 1.00 0.00 C ATOM 896 CG2 ILE A 70 -11.787 9.709 -6.541 1.00 0.00 C ATOM 897 CD1 ILE A 70 -9.200 10.427 -6.056 1.00 0.00 C ATOM 0 H ILE A 70 -13.488 9.840 -8.472 1.00 0.00 H new ATOM 0 HA ILE A 70 -11.100 10.847 -9.738 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.770 11.604 -7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.184 10.429 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.552 11.984 -7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.597 10.119 -5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.861 9.588 -6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.297 8.740 -6.633 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.135 10.649 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.725 10.930 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.352 9.351 -5.974 1.00 0.00 H new ATOM 909 N TRP A 71 -11.456 7.677 -9.132 1.00 0.00 N ATOM 910 CA TRP A 71 -10.852 6.346 -9.247 1.00 0.00 C ATOM 911 C TRP A 71 -10.020 6.198 -10.511 1.00 0.00 C ATOM 912 O TRP A 71 -8.972 5.552 -10.493 1.00 0.00 O ATOM 913 CB TRP A 71 -11.923 5.256 -9.234 1.00 0.00 C ATOM 914 CG TRP A 71 -11.917 4.445 -7.979 1.00 0.00 C ATOM 915 CD1 TRP A 71 -12.909 4.376 -7.053 1.00 0.00 C ATOM 916 CD2 TRP A 71 -10.860 3.598 -7.506 1.00 0.00 C ATOM 917 NE1 TRP A 71 -12.541 3.535 -6.031 1.00 0.00 N ATOM 918 CE2 TRP A 71 -11.288 3.048 -6.284 1.00 0.00 C ATOM 919 CE3 TRP A 71 -9.596 3.252 -7.995 1.00 0.00 C ATOM 920 CZ2 TRP A 71 -10.500 2.173 -5.543 1.00 0.00 C ATOM 921 CZ3 TRP A 71 -8.812 2.378 -7.256 1.00 0.00 C ATOM 922 CH2 TRP A 71 -9.268 1.850 -6.042 1.00 0.00 C ATOM 0 H TRP A 71 -12.463 7.666 -8.973 1.00 0.00 H new ATOM 0 HA TRP A 71 -10.196 6.233 -8.384 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -12.903 5.716 -9.358 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.771 4.595 -10.088 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -13.849 4.905 -7.112 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.110 3.310 -5.215 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.237 3.657 -8.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.849 1.763 -4.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -7.835 2.101 -7.623 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -8.634 1.174 -5.488 1.00 0.00 H new ATOM 933 N ASP A 72 -10.485 6.800 -11.597 1.00 0.00 N ATOM 934 CA ASP A 72 -9.804 6.691 -12.884 1.00 0.00 C ATOM 935 C ASP A 72 -8.366 7.196 -12.789 1.00 0.00 C ATOM 936 O ASP A 72 -7.462 6.643 -13.410 1.00 0.00 O ATOM 937 CB ASP A 72 -10.563 7.466 -13.961 1.00 0.00 C ATOM 938 CG ASP A 72 -10.101 7.111 -15.361 1.00 0.00 C ATOM 939 OD1 ASP A 72 -9.023 7.582 -15.777 1.00 0.00 O ATOM 940 OD2 ASP A 72 -10.821 6.358 -16.052 1.00 0.00 O ATOM 0 H ASP A 72 -11.331 7.369 -11.615 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.779 5.637 -13.160 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.629 7.260 -13.870 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.430 8.535 -13.797 1.00 0.00 H new ATOM 945 N ALA A 73 -8.148 8.227 -11.979 1.00 0.00 N ATOM 946 CA ALA A 73 -6.820 8.805 -11.842 1.00 0.00 C ATOM 947 C ALA A 73 -5.938 7.918 -10.975 1.00 0.00 C ATOM 948 O ALA A 73 -4.723 7.859 -11.156 1.00 0.00 O ATOM 949 CB ALA A 73 -6.905 10.206 -11.254 1.00 0.00 C ATOM 0 H ALA A 73 -8.868 8.675 -11.413 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.372 8.873 -12.833 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.902 10.622 -11.159 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.500 10.841 -11.910 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.373 10.160 -10.271 1.00 0.00 H new ATOM 955 N LEU A 74 -6.570 7.214 -10.048 1.00 0.00 N ATOM 956 CA LEU A 74 -5.858 6.348 -9.122 1.00 0.00 C ATOM 957 C LEU A 74 -5.255 5.170 -9.865 1.00 0.00 C ATOM 958 O LEU A 74 -4.053 4.908 -9.784 1.00 0.00 O ATOM 959 CB LEU A 74 -6.806 5.848 -8.032 1.00 0.00 C ATOM 960 CG LEU A 74 -7.692 6.926 -7.408 1.00 0.00 C ATOM 961 CD1 LEU A 74 -8.471 6.365 -6.229 1.00 0.00 C ATOM 962 CD2 LEU A 74 -6.851 8.113 -6.982 1.00 0.00 C ATOM 0 H LEU A 74 -7.582 7.226 -9.917 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.055 6.920 -8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.445 5.072 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.216 5.381 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.410 7.262 -8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.095 7.149 -5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.102 5.543 -6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.775 6.000 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.494 8.874 -6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.112 7.791 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.342 8.529 -7.851 1.00 0.00 H new ATOM 974 N LYS A 75 -6.104 4.481 -10.604 1.00 0.00 N ATOM 975 CA LYS A 75 -5.687 3.338 -11.399 1.00 0.00 C ATOM 976 C LYS A 75 -4.729 3.767 -12.510 1.00 0.00 C ATOM 977 O LYS A 75 -3.849 3.003 -12.904 1.00 0.00 O ATOM 978 CB LYS A 75 -6.919 2.641 -11.977 1.00 0.00 C ATOM 979 CG LYS A 75 -7.913 3.610 -12.583 1.00 0.00 C ATOM 980 CD LYS A 75 -9.242 2.947 -12.896 1.00 0.00 C ATOM 981 CE LYS A 75 -9.850 2.272 -11.683 1.00 0.00 C ATOM 982 NZ LYS A 75 -11.255 1.859 -11.942 1.00 0.00 N ATOM 0 H LYS A 75 -7.099 4.696 -10.671 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.152 2.636 -10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.603 1.928 -12.739 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.410 2.069 -11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.076 4.439 -11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.495 4.032 -13.497 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.937 3.695 -13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.100 2.209 -13.686 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.256 1.399 -11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.820 2.953 -10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.644 1.400 -11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.826 2.697 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.279 1.191 -12.739 1.00 0.00 H new ATOM 996 N ALA A 76 -4.892 4.995 -12.998 1.00 0.00 N ATOM 997 CA ALA A 76 -4.009 5.530 -14.029 1.00 0.00 C ATOM 998 C ALA A 76 -2.614 5.794 -13.474 1.00 0.00 C ATOM 999 O ALA A 76 -1.613 5.587 -14.166 1.00 0.00 O ATOM 1000 CB ALA A 76 -4.593 6.799 -14.630 1.00 0.00 C ATOM 0 H ALA A 76 -5.626 5.636 -12.696 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.923 4.782 -14.817 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.919 7.182 -15.397 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.562 6.577 -15.077 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.716 7.548 -13.848 1.00 0.00 H new ATOM 1006 N ALA A 77 -2.541 6.251 -12.230 1.00 0.00 N ATOM 1007 CA ALA A 77 -1.256 6.495 -11.593 1.00 0.00 C ATOM 1008 C ALA A 77 -0.542 5.188 -11.326 1.00 0.00 C ATOM 1009 O ALA A 77 0.626 5.032 -11.671 1.00 0.00 O ATOM 1010 CB ALA A 77 -1.414 7.280 -10.306 1.00 0.00 C ATOM 0 H ALA A 77 -3.352 6.459 -11.647 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.655 7.094 -12.278 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.434 7.444 -9.857 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.880 8.242 -10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.041 6.720 -9.613 1.00 0.00 H new ATOM 1016 N ALA A 78 -1.246 4.253 -10.704 1.00 0.00 N ATOM 1017 CA ALA A 78 -0.721 2.913 -10.501 1.00 0.00 C ATOM 1018 C ALA A 78 -0.294 2.291 -11.829 1.00 0.00 C ATOM 1019 O ALA A 78 0.664 1.536 -11.882 1.00 0.00 O ATOM 1020 CB ALA A 78 -1.763 2.047 -9.812 1.00 0.00 C ATOM 0 H ALA A 78 -2.184 4.400 -10.331 1.00 0.00 H new ATOM 0 HA ALA A 78 0.160 2.976 -9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.362 1.044 -9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.017 2.483 -8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.658 1.992 -10.432 1.00 0.00 H new ATOM 1026 N HIS A 79 -0.989 2.652 -12.902 1.00 0.00 N ATOM 1027 CA HIS A 79 -0.670 2.144 -14.234 1.00 0.00 C ATOM 1028 C HIS A 79 0.720 2.614 -14.648 1.00 0.00 C ATOM 1029 O HIS A 79 1.540 1.828 -15.123 1.00 0.00 O ATOM 1030 CB HIS A 79 -1.725 2.626 -15.245 1.00 0.00 C ATOM 1031 CG HIS A 79 -1.484 2.197 -16.663 1.00 0.00 C ATOM 1032 ND1 HIS A 79 -2.163 1.158 -17.264 1.00 0.00 N ATOM 1033 CD2 HIS A 79 -0.652 2.694 -17.611 1.00 0.00 C ATOM 1034 CE1 HIS A 79 -1.757 1.035 -18.514 1.00 0.00 C ATOM 1035 NE2 HIS A 79 -0.844 1.954 -18.746 1.00 0.00 N ATOM 0 H HIS A 79 -1.779 3.296 -12.876 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.679 1.054 -14.215 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.702 2.259 -14.931 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.768 3.715 -15.212 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.034 3.520 -17.493 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.113 0.305 -19.225 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -0.357 2.093 -19.631 1.00 0.00 H new ATOM 1044 N ALA A 80 0.969 3.899 -14.458 1.00 0.00 N ATOM 1045 CA ALA A 80 2.250 4.486 -14.804 1.00 0.00 C ATOM 1046 C ALA A 80 3.336 4.020 -13.844 1.00 0.00 C ATOM 1047 O ALA A 80 4.372 3.521 -14.267 1.00 0.00 O ATOM 1048 CB ALA A 80 2.154 6.002 -14.791 1.00 0.00 C ATOM 0 H ALA A 80 0.297 4.557 -14.064 1.00 0.00 H new ATOM 0 HA ALA A 80 2.516 4.157 -15.808 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.122 6.430 -15.052 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.407 6.325 -15.515 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.865 6.340 -13.796 1.00 0.00 H new ATOM 1054 N PHE A 81 3.080 4.175 -12.552 1.00 0.00 N ATOM 1055 CA PHE A 81 4.052 3.825 -11.526 1.00 0.00 C ATOM 1056 C PHE A 81 4.476 2.355 -11.632 1.00 0.00 C ATOM 1057 O PHE A 81 5.635 2.015 -11.386 1.00 0.00 O ATOM 1058 CB PHE A 81 3.486 4.147 -10.140 1.00 0.00 C ATOM 1059 CG PHE A 81 4.233 3.495 -9.007 1.00 0.00 C ATOM 1060 CD1 PHE A 81 5.566 3.787 -8.777 1.00 0.00 C ATOM 1061 CD2 PHE A 81 3.600 2.584 -8.178 1.00 0.00 C ATOM 1062 CE1 PHE A 81 6.255 3.183 -7.743 1.00 0.00 C ATOM 1063 CE2 PHE A 81 4.283 1.979 -7.140 1.00 0.00 C ATOM 1064 CZ PHE A 81 5.613 2.278 -6.924 1.00 0.00 C ATOM 0 H PHE A 81 2.201 4.543 -12.188 1.00 0.00 H new ATOM 0 HA PHE A 81 4.949 4.424 -11.681 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.498 5.227 -9.996 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.443 3.832 -10.103 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.074 4.496 -9.414 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.560 2.344 -8.345 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.296 3.419 -7.576 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.777 1.273 -6.499 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.150 1.804 -6.115 1.00 0.00 H new ATOM 1074 N GLU A 82 3.543 1.493 -12.013 1.00 0.00 N ATOM 1075 CA GLU A 82 3.830 0.076 -12.215 1.00 0.00 C ATOM 1076 C GLU A 82 4.799 -0.134 -13.375 1.00 0.00 C ATOM 1077 O GLU A 82 5.541 -1.118 -13.411 1.00 0.00 O ATOM 1078 CB GLU A 82 2.532 -0.684 -12.468 1.00 0.00 C ATOM 1079 CG GLU A 82 1.911 -1.253 -11.203 1.00 0.00 C ATOM 1080 CD GLU A 82 2.762 -2.341 -10.584 1.00 0.00 C ATOM 1081 OE1 GLU A 82 3.693 -2.019 -9.817 1.00 0.00 O ATOM 1082 OE2 GLU A 82 2.515 -3.528 -10.880 1.00 0.00 O ATOM 0 H GLU A 82 2.572 1.752 -12.190 1.00 0.00 H new ATOM 0 HA GLU A 82 4.303 -0.308 -11.311 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.816 -0.016 -12.947 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.726 -1.498 -13.167 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.768 -0.451 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.924 -1.654 -11.434 1.00 0.00 H new ATOM 1089 N SER A 83 4.791 0.793 -14.317 1.00 0.00 N ATOM 1090 CA SER A 83 5.699 0.746 -15.450 1.00 0.00 C ATOM 1091 C SER A 83 6.942 1.593 -15.169 1.00 0.00 C ATOM 1092 O SER A 83 7.632 2.027 -16.092 1.00 0.00 O ATOM 1093 CB SER A 83 4.986 1.238 -16.705 1.00 0.00 C ATOM 1094 OG SER A 83 3.782 0.514 -16.922 1.00 0.00 O ATOM 0 H SER A 83 4.160 1.594 -14.319 1.00 0.00 H new ATOM 0 HA SER A 83 6.017 -0.284 -15.609 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.764 2.301 -16.609 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.642 1.127 -17.568 1.00 0.00 H new ATOM 0 HG SER A 83 3.066 0.898 -16.374 1.00 0.00 H new ATOM 1100 N ASN A 84 7.207 1.817 -13.876 1.00 0.00 N ATOM 1101 CA ASN A 84 8.383 2.557 -13.396 1.00 0.00 C ATOM 1102 C ASN A 84 8.210 4.063 -13.570 1.00 0.00 C ATOM 1103 O ASN A 84 9.104 4.839 -13.226 1.00 0.00 O ATOM 1104 CB ASN A 84 9.673 2.105 -14.097 1.00 0.00 C ATOM 1105 CG ASN A 84 9.947 0.617 -13.953 1.00 0.00 C ATOM 1106 OD1 ASN A 84 10.484 -0.010 -14.864 1.00 0.00 O ATOM 1107 ND2 ASN A 84 9.591 0.039 -12.818 1.00 0.00 N ATOM 0 H ASN A 84 6.604 1.486 -13.123 1.00 0.00 H new ATOM 0 HA ASN A 84 8.470 2.333 -12.333 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.609 2.355 -15.156 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.515 2.663 -13.688 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.760 -0.957 -12.678 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.147 0.589 -12.083 1.00 0.00 H new ATOM 1114 N ASP A 85 7.061 4.478 -14.090 1.00 0.00 N ATOM 1115 CA ASP A 85 6.784 5.895 -14.293 1.00 0.00 C ATOM 1116 C ASP A 85 6.410 6.564 -12.978 1.00 0.00 C ATOM 1117 O ASP A 85 5.231 6.721 -12.651 1.00 0.00 O ATOM 1118 CB ASP A 85 5.667 6.087 -15.318 1.00 0.00 C ATOM 1119 CG ASP A 85 6.144 5.915 -16.746 1.00 0.00 C ATOM 1120 OD1 ASP A 85 6.286 4.761 -17.196 1.00 0.00 O ATOM 1121 OD2 ASP A 85 6.385 6.936 -17.422 1.00 0.00 O ATOM 0 H ASP A 85 6.307 3.855 -14.378 1.00 0.00 H new ATOM 0 HA ASP A 85 7.691 6.364 -14.676 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.869 5.372 -15.118 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.239 7.083 -15.200 1.00 0.00 H new ATOM 1126 N HIS A 86 7.426 6.965 -12.231 1.00 0.00 N ATOM 1127 CA HIS A 86 7.226 7.653 -10.969 1.00 0.00 C ATOM 1128 C HIS A 86 6.722 9.064 -11.222 1.00 0.00 C ATOM 1129 O HIS A 86 5.855 9.567 -10.500 1.00 0.00 O ATOM 1130 CB HIS A 86 8.528 7.708 -10.165 1.00 0.00 C ATOM 1131 CG HIS A 86 9.052 6.366 -9.750 1.00 0.00 C ATOM 1132 ND1 HIS A 86 10.135 5.769 -10.352 1.00 0.00 N ATOM 1133 CD2 HIS A 86 8.645 5.511 -8.778 1.00 0.00 C ATOM 1134 CE1 HIS A 86 10.370 4.606 -9.780 1.00 0.00 C ATOM 1135 NE2 HIS A 86 9.485 4.424 -8.820 1.00 0.00 N ATOM 0 H HIS A 86 8.405 6.824 -12.481 1.00 0.00 H new ATOM 0 HA HIS A 86 6.485 7.099 -10.392 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.288 8.214 -10.760 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.366 8.314 -9.273 1.00 0.00 H new ATOM 0 HD2 HIS A 86 7.817 5.657 -8.100 1.00 0.00 H new ATOM 0 HE1 HIS A 86 11.156 3.917 -10.052 1.00 0.00 H new ATOM 0 HE2 HIS A 86 9.432 3.609 -8.208 1.00 0.00 H new ATOM 1144 N GLU A 87 7.277 9.698 -12.251 1.00 0.00 N ATOM 1145 CA GLU A 87 6.936 11.075 -12.578 1.00 0.00 C ATOM 1146 C GLU A 87 5.518 11.182 -13.118 1.00 0.00 C ATOM 1147 O GLU A 87 4.807 12.133 -12.812 1.00 0.00 O ATOM 1148 CB GLU A 87 7.934 11.657 -13.584 1.00 0.00 C ATOM 1149 CG GLU A 87 8.031 10.883 -14.887 1.00 0.00 C ATOM 1150 CD GLU A 87 8.990 11.524 -15.861 1.00 0.00 C ATOM 1151 OE1 GLU A 87 10.215 11.424 -15.645 1.00 0.00 O ATOM 1152 OE2 GLU A 87 8.528 12.136 -16.848 1.00 0.00 O ATOM 0 H GLU A 87 7.967 9.277 -12.873 1.00 0.00 H new ATOM 0 HA GLU A 87 6.990 11.655 -11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.650 12.686 -13.806 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.920 11.692 -13.121 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.355 9.863 -14.679 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.043 10.817 -15.343 1.00 0.00 H new ATOM 1159 N LEU A 88 5.103 10.201 -13.907 1.00 0.00 N ATOM 1160 CA LEU A 88 3.768 10.208 -14.478 1.00 0.00 C ATOM 1161 C LEU A 88 2.715 10.143 -13.386 1.00 0.00 C ATOM 1162 O LEU A 88 1.803 10.962 -13.340 1.00 0.00 O ATOM 1163 CB LEU A 88 3.592 9.025 -15.422 1.00 0.00 C ATOM 1164 CG LEU A 88 3.250 9.393 -16.863 1.00 0.00 C ATOM 1165 CD1 LEU A 88 3.177 8.142 -17.713 1.00 0.00 C ATOM 1166 CD2 LEU A 88 1.935 10.155 -16.927 1.00 0.00 C ATOM 0 H LEU A 88 5.671 9.394 -14.164 1.00 0.00 H new ATOM 0 HA LEU A 88 3.643 11.137 -15.034 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.511 8.439 -15.421 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.804 8.382 -15.031 1.00 0.00 H new ATOM 0 HG LEU A 88 4.036 10.040 -17.252 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.932 8.414 -18.740 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.140 7.631 -17.692 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.406 7.479 -17.320 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.711 10.407 -17.963 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.135 9.535 -16.523 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.016 11.070 -16.340 1.00 0.00 H new ATOM 1178 N ALA A 89 2.865 9.175 -12.496 1.00 0.00 N ATOM 1179 CA ALA A 89 1.886 8.943 -11.452 1.00 0.00 C ATOM 1180 C ALA A 89 1.764 10.145 -10.520 1.00 0.00 C ATOM 1181 O ALA A 89 0.656 10.584 -10.222 1.00 0.00 O ATOM 1182 CB ALA A 89 2.248 7.685 -10.680 1.00 0.00 C ATOM 0 H ALA A 89 3.660 8.536 -12.478 1.00 0.00 H new ATOM 0 HA ALA A 89 0.911 8.803 -11.918 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.510 7.514 -9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.260 6.832 -11.359 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.234 7.805 -10.230 1.00 0.00 H new ATOM 1188 N GLN A 90 2.897 10.690 -10.082 1.00 0.00 N ATOM 1189 CA GLN A 90 2.883 11.853 -9.197 1.00 0.00 C ATOM 1190 C GLN A 90 2.265 13.062 -9.908 1.00 0.00 C ATOM 1191 O GLN A 90 1.573 13.870 -9.285 1.00 0.00 O ATOM 1192 CB GLN A 90 4.299 12.186 -8.709 1.00 0.00 C ATOM 1193 CG GLN A 90 5.216 12.719 -9.797 1.00 0.00 C ATOM 1194 CD GLN A 90 6.646 12.884 -9.337 1.00 0.00 C ATOM 1195 OE1 GLN A 90 7.036 13.931 -8.820 1.00 0.00 O ATOM 1196 NE2 GLN A 90 7.442 11.851 -9.539 1.00 0.00 N ATOM 0 H GLN A 90 3.828 10.349 -10.322 1.00 0.00 H new ATOM 0 HA GLN A 90 2.271 11.610 -8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.233 12.924 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.745 11.289 -8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.191 12.041 -10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.838 13.681 -10.143 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.077 11.002 -9.971 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.423 11.901 -9.263 1.00 0.00 H new ATOM 1205 N ALA A 91 2.499 13.162 -11.216 1.00 0.00 N ATOM 1206 CA ALA A 91 1.950 14.250 -12.013 1.00 0.00 C ATOM 1207 C ALA A 91 0.453 14.069 -12.204 1.00 0.00 C ATOM 1208 O ALA A 91 -0.278 15.034 -12.411 1.00 0.00 O ATOM 1209 CB ALA A 91 2.648 14.335 -13.361 1.00 0.00 C ATOM 0 H ALA A 91 3.067 12.499 -11.744 1.00 0.00 H new ATOM 0 HA ALA A 91 2.121 15.184 -11.477 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.222 15.154 -13.940 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.713 14.513 -13.209 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.510 13.399 -13.902 1.00 0.00 H new ATOM 1215 N ILE A 92 0.005 12.824 -12.150 1.00 0.00 N ATOM 1216 CA ILE A 92 -1.416 12.525 -12.197 1.00 0.00 C ATOM 1217 C ILE A 92 -2.081 12.931 -10.884 1.00 0.00 C ATOM 1218 O ILE A 92 -3.131 13.573 -10.884 1.00 0.00 O ATOM 1219 CB ILE A 92 -1.658 11.028 -12.472 1.00 0.00 C ATOM 1220 CG1 ILE A 92 -1.219 10.677 -13.897 1.00 0.00 C ATOM 1221 CG2 ILE A 92 -3.116 10.658 -12.256 1.00 0.00 C ATOM 1222 CD1 ILE A 92 -1.443 9.228 -14.267 1.00 0.00 C ATOM 0 H ILE A 92 0.607 12.004 -12.073 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.857 13.097 -13.014 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.061 10.451 -11.766 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.761 11.309 -14.600 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.160 10.911 -14.009 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.256 9.596 -12.458 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.397 10.871 -11.225 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.743 11.241 -12.931 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.108 9.058 -15.290 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.879 8.588 -13.589 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.504 8.993 -14.189 1.00 0.00 H new ATOM 1234 N ILE A 93 -1.455 12.544 -9.774 1.00 0.00 N ATOM 1235 CA ILE A 93 -1.891 12.963 -8.444 1.00 0.00 C ATOM 1236 C ILE A 93 -2.088 14.479 -8.397 1.00 0.00 C ATOM 1237 O ILE A 93 -3.202 14.970 -8.204 1.00 0.00 O ATOM 1238 CB ILE A 93 -0.854 12.553 -7.361 1.00 0.00 C ATOM 1239 CG1 ILE A 93 -0.490 11.070 -7.486 1.00 0.00 C ATOM 1240 CG2 ILE A 93 -1.367 12.853 -5.963 1.00 0.00 C ATOM 1241 CD1 ILE A 93 -1.671 10.171 -7.738 1.00 0.00 C ATOM 0 H ILE A 93 -0.637 11.935 -9.771 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.838 12.464 -8.237 1.00 0.00 H new ATOM 0 HB ILE A 93 0.045 13.147 -7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.226 10.949 -8.299 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.009 10.750 -6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.618 12.555 -5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.562 13.921 -5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.289 12.299 -5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.332 9.138 -7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.379 10.261 -6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.158 10.463 -8.668 1.00 0.00 H new ATOM 1253 N ASP A 94 -1.005 15.210 -8.630 1.00 0.00 N ATOM 1254 CA ASP A 94 -1.032 16.671 -8.603 1.00 0.00 C ATOM 1255 C ASP A 94 -1.927 17.224 -9.701 1.00 0.00 C ATOM 1256 O ASP A 94 -2.606 18.236 -9.516 1.00 0.00 O ATOM 1257 CB ASP A 94 0.390 17.219 -8.755 1.00 0.00 C ATOM 1258 CG ASP A 94 0.424 18.697 -9.092 1.00 0.00 C ATOM 1259 OD1 ASP A 94 0.324 19.529 -8.166 1.00 0.00 O ATOM 1260 OD2 ASP A 94 0.567 19.032 -10.291 1.00 0.00 O ATOM 0 H ASP A 94 -0.089 14.813 -8.842 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.441 16.989 -7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.939 17.051 -7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.906 16.662 -9.537 1.00 0.00 H new ATOM 1265 N GLY A 95 -1.949 16.536 -10.832 1.00 0.00 N ATOM 1266 CA GLY A 95 -2.737 16.984 -11.958 1.00 0.00 C ATOM 1267 C GLY A 95 -4.221 16.949 -11.674 1.00 0.00 C ATOM 1268 O GLY A 95 -4.995 17.684 -12.291 1.00 0.00 O ATOM 0 H GLY A 95 -1.432 15.671 -10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.444 18.000 -12.221 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.520 16.356 -12.822 1.00 0.00 H new ATOM 1272 N ALA A 96 -4.631 16.112 -10.730 1.00 0.00 N ATOM 1273 CA ALA A 96 -6.037 15.980 -10.420 1.00 0.00 C ATOM 1274 C ALA A 96 -6.403 16.780 -9.179 1.00 0.00 C ATOM 1275 O ALA A 96 -7.512 16.645 -8.663 1.00 0.00 O ATOM 1276 CB ALA A 96 -6.406 14.516 -10.240 1.00 0.00 C ATOM 0 H ALA A 96 -4.012 15.522 -10.174 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.606 16.382 -11.258 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.468 14.434 -10.007 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.193 13.971 -11.160 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.822 14.091 -9.424 1.00 0.00 H new ATOM 1282 N ASN A 97 -5.459 17.607 -8.699 1.00 0.00 N ATOM 1283 CA ASN A 97 -5.664 18.419 -7.490 1.00 0.00 C ATOM 1284 C ASN A 97 -5.695 17.495 -6.273 1.00 0.00 C ATOM 1285 O ASN A 97 -6.050 17.874 -5.155 1.00 0.00 O ATOM 1286 CB ASN A 97 -6.956 19.241 -7.603 1.00 0.00 C ATOM 1287 CG ASN A 97 -7.142 20.235 -6.474 1.00 0.00 C ATOM 1288 OD1 ASN A 97 -6.176 20.749 -5.908 1.00 0.00 O ATOM 1289 ND2 ASN A 97 -8.390 20.521 -6.151 1.00 0.00 N ATOM 0 H ASN A 97 -4.544 17.730 -9.132 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.842 19.126 -7.377 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.954 19.777 -8.552 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.808 18.562 -7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.583 21.191 -5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.161 20.072 -6.646 1.00 0.00 H new ATOM 1296 N ILE A 98 -5.292 16.269 -6.538 1.00 0.00 N ATOM 1297 CA ILE A 98 -5.211 15.214 -5.553 1.00 0.00 C ATOM 1298 C ILE A 98 -3.890 15.315 -4.803 1.00 0.00 C ATOM 1299 O ILE A 98 -2.863 15.636 -5.399 1.00 0.00 O ATOM 1300 CB ILE A 98 -5.315 13.861 -6.277 1.00 0.00 C ATOM 1301 CG1 ILE A 98 -6.751 13.606 -6.697 1.00 0.00 C ATOM 1302 CG2 ILE A 98 -4.776 12.726 -5.436 1.00 0.00 C ATOM 1303 CD1 ILE A 98 -6.885 12.437 -7.626 1.00 0.00 C ATOM 0 H ILE A 98 -5.004 15.973 -7.471 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.024 15.305 -4.833 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.693 13.907 -7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.359 13.431 -5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.147 14.498 -7.183 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.869 11.790 -5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.726 12.909 -5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.344 12.660 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.933 12.302 -7.893 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.302 12.621 -8.528 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.517 11.537 -7.133 1.00 0.00 H new ATOM 1315 N THR A 99 -3.901 15.070 -3.503 1.00 0.00 N ATOM 1316 CA THR A 99 -2.669 15.134 -2.737 1.00 0.00 C ATOM 1317 C THR A 99 -2.517 13.948 -1.798 1.00 0.00 C ATOM 1318 O THR A 99 -3.448 13.160 -1.605 1.00 0.00 O ATOM 1319 CB THR A 99 -2.555 16.421 -1.911 1.00 0.00 C ATOM 1320 OG1 THR A 99 -3.739 16.626 -1.127 1.00 0.00 O ATOM 1321 CG2 THR A 99 -2.305 17.637 -2.790 1.00 0.00 C ATOM 0 H THR A 99 -4.733 14.829 -2.965 1.00 0.00 H new ATOM 0 HA THR A 99 -1.872 15.116 -3.480 1.00 0.00 H new ATOM 0 HB THR A 99 -1.699 16.301 -1.247 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.647 17.451 -0.606 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.231 18.528 -2.166 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.375 17.502 -3.342 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.130 17.754 -3.493 1.00 0.00 H new ATOM 1329 N LEU A 100 -1.318 13.817 -1.246 1.00 0.00 N ATOM 1330 CA LEU A 100 -1.003 12.773 -0.292 1.00 0.00 C ATOM 1331 C LEU A 100 0.068 13.229 0.681 1.00 0.00 C ATOM 1332 O LEU A 100 1.233 13.313 0.302 1.00 0.00 O ATOM 1333 CB LEU A 100 -0.478 11.543 -1.000 1.00 0.00 C ATOM 1334 CG LEU A 100 -1.506 10.733 -1.733 1.00 0.00 C ATOM 1335 CD1 LEU A 100 -0.898 10.230 -3.022 1.00 0.00 C ATOM 1336 CD2 LEU A 100 -1.946 9.597 -0.836 1.00 0.00 C ATOM 0 H LEU A 100 -0.535 14.438 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.925 12.543 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.289 11.853 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.008 10.902 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.382 11.331 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.635 9.639 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.590 11.078 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.030 9.610 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.695 8.995 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.086 8.974 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.375 10.002 0.081 1.00 0.00 H new ATOM 1348 N PRO A 101 -0.279 13.520 1.938 1.00 0.00 N ATOM 1349 CA PRO A 101 0.725 13.777 2.964 1.00 0.00 C ATOM 1350 C PRO A 101 1.583 12.533 3.200 1.00 0.00 C ATOM 1351 O PRO A 101 2.741 12.616 3.593 1.00 0.00 O ATOM 1352 CB PRO A 101 -0.098 14.134 4.208 1.00 0.00 C ATOM 1353 CG PRO A 101 -1.456 13.579 3.943 1.00 0.00 C ATOM 1354 CD PRO A 101 -1.648 13.659 2.453 1.00 0.00 C ATOM 0 HA PRO A 101 1.421 14.570 2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.338 13.699 5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.135 15.213 4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -1.533 12.549 4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.221 14.151 4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.300 12.866 2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.098 14.606 2.154 1.00 0.00 H new ATOM 1362 N HIS A 102 1.000 11.374 2.918 1.00 0.00 N ATOM 1363 CA HIS A 102 1.713 10.104 3.030 1.00 0.00 C ATOM 1364 C HIS A 102 2.650 9.901 1.840 1.00 0.00 C ATOM 1365 O HIS A 102 3.609 9.136 1.908 1.00 0.00 O ATOM 1366 CB HIS A 102 0.739 8.924 3.122 1.00 0.00 C ATOM 1367 CG HIS A 102 -0.073 8.879 4.385 1.00 0.00 C ATOM 1368 ND1 HIS A 102 -0.920 7.835 4.687 1.00 0.00 N ATOM 1369 CD2 HIS A 102 -0.168 9.747 5.425 1.00 0.00 C ATOM 1370 CE1 HIS A 102 -1.500 8.059 5.850 1.00 0.00 C ATOM 1371 NE2 HIS A 102 -1.062 9.211 6.320 1.00 0.00 N ATOM 0 H HIS A 102 0.032 11.286 2.609 1.00 0.00 H new ATOM 0 HA HIS A 102 2.301 10.142 3.947 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.060 8.964 2.270 1.00 0.00 H new ATOM 0 HB3 HIS A 102 1.304 7.996 3.036 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -1.075 7.015 4.101 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.360 10.683 5.529 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -2.213 7.409 6.335 1.00 0.00 H new ATOM 1380 N GLY A 103 2.349 10.624 0.761 1.00 0.00 N ATOM 1381 CA GLY A 103 3.132 10.565 -0.463 1.00 0.00 C ATOM 1382 C GLY A 103 3.274 9.175 -1.041 1.00 0.00 C ATOM 1383 O GLY A 103 4.326 8.823 -1.572 1.00 0.00 O ATOM 0 H GLY A 103 1.556 11.264 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 103 2.669 11.211 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.125 10.968 -0.265 1.00 0.00 H new ATOM 1387 N ALA A 104 2.219 8.392 -0.966 1.00 0.00 N ATOM 1388 CA ALA A 104 2.269 7.020 -1.432 1.00 0.00 C ATOM 1389 C ALA A 104 1.425 6.839 -2.678 1.00 0.00 C ATOM 1390 O ALA A 104 0.432 7.529 -2.867 1.00 0.00 O ATOM 1391 CB ALA A 104 1.787 6.081 -0.343 1.00 0.00 C ATOM 0 H ALA A 104 1.317 8.680 -0.588 1.00 0.00 H new ATOM 0 HA ALA A 104 3.304 6.784 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.829 5.053 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.425 6.184 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.760 6.330 -0.076 1.00 0.00 H new ATOM 1397 N LEU A 105 1.838 5.915 -3.535 1.00 0.00 N ATOM 1398 CA LEU A 105 1.046 5.550 -4.708 1.00 0.00 C ATOM 1399 C LEU A 105 -0.063 4.621 -4.248 1.00 0.00 C ATOM 1400 O LEU A 105 -1.127 4.526 -4.852 1.00 0.00 O ATOM 1401 CB LEU A 105 1.928 4.846 -5.753 1.00 0.00 C ATOM 1402 CG LEU A 105 1.538 5.039 -7.231 1.00 0.00 C ATOM 1403 CD1 LEU A 105 0.133 4.521 -7.523 1.00 0.00 C ATOM 1404 CD2 LEU A 105 1.666 6.500 -7.630 1.00 0.00 C ATOM 0 H LEU A 105 2.716 5.403 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 105 0.627 6.443 -5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.953 5.194 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.925 3.778 -5.537 1.00 0.00 H new ATOM 0 HG LEU A 105 2.231 4.449 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.101 4.677 -8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.083 3.457 -7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.588 5.059 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.386 6.617 -8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.007 7.106 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.697 6.826 -7.491 1.00 0.00 H new ATOM 1416 N THR A 106 0.193 3.964 -3.132 1.00 0.00 N ATOM 1417 CA THR A 106 -0.736 3.009 -2.569 1.00 0.00 C ATOM 1418 C THR A 106 -1.768 3.715 -1.698 1.00 0.00 C ATOM 1419 O THR A 106 -2.315 3.135 -0.760 1.00 0.00 O ATOM 1420 CB THR A 106 0.017 1.955 -1.749 1.00 0.00 C ATOM 1421 OG1 THR A 106 0.621 2.560 -0.593 1.00 0.00 O ATOM 1422 CG2 THR A 106 1.103 1.314 -2.594 1.00 0.00 C ATOM 0 H THR A 106 1.051 4.079 -2.593 1.00 0.00 H new ATOM 0 HA THR A 106 -1.257 2.511 -3.387 1.00 0.00 H new ATOM 0 HB THR A 106 -0.697 1.195 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.838 1.866 0.064 1.00 0.00 H new ATOM 0 HG21 THR A 106 1.632 0.567 -2.002 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.653 0.835 -3.464 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.806 2.079 -2.924 1.00 0.00 H new ATOM 1430 N GLU A 107 -2.004 4.974 -2.027 1.00 0.00 N ATOM 1431 CA GLU A 107 -3.006 5.812 -1.391 1.00 0.00 C ATOM 1432 C GLU A 107 -3.224 7.034 -2.260 1.00 0.00 C ATOM 1433 O GLU A 107 -2.351 7.383 -3.048 1.00 0.00 O ATOM 1434 CB GLU A 107 -2.578 6.278 0.003 1.00 0.00 C ATOM 1435 CG GLU A 107 -2.945 5.330 1.130 1.00 0.00 C ATOM 1436 CD GLU A 107 -2.686 5.943 2.488 1.00 0.00 C ATOM 1437 OE1 GLU A 107 -1.520 5.937 2.929 1.00 0.00 O ATOM 1438 OE2 GLU A 107 -3.637 6.445 3.115 1.00 0.00 O ATOM 0 H GLU A 107 -1.489 5.455 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.916 5.223 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.498 6.424 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.031 7.249 0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.998 5.059 1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.370 4.409 1.032 1.00 0.00 H new ATOM 1445 N CYS A 108 -4.376 7.662 -2.127 1.00 0.00 N ATOM 1446 CA CYS A 108 -4.642 8.939 -2.781 1.00 0.00 C ATOM 1447 C CYS A 108 -5.728 9.681 -2.026 1.00 0.00 C ATOM 1448 O CYS A 108 -6.695 9.065 -1.578 1.00 0.00 O ATOM 1449 CB CYS A 108 -5.075 8.747 -4.241 1.00 0.00 C ATOM 1450 SG CYS A 108 -3.786 8.115 -5.344 1.00 0.00 S ATOM 0 H CYS A 108 -5.152 7.309 -1.568 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.718 9.518 -2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -5.922 8.061 -4.266 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.427 9.703 -4.629 1.00 0.00 H new ATOM 0 HG CYS A 108 -2.811 7.627 -4.637 1.00 0.00 H new ATOM 1456 N TYR A 109 -5.589 10.995 -1.872 1.00 0.00 N ATOM 1457 CA TYR A 109 -6.634 11.759 -1.219 1.00 0.00 C ATOM 1458 C TYR A 109 -7.230 12.763 -2.183 1.00 0.00 C ATOM 1459 O TYR A 109 -6.541 13.618 -2.744 1.00 0.00 O ATOM 1460 CB TYR A 109 -6.099 12.468 0.030 1.00 0.00 C ATOM 1461 CG TYR A 109 -5.491 11.526 1.050 1.00 0.00 C ATOM 1462 CD1 TYR A 109 -5.918 10.211 1.144 1.00 0.00 C ATOM 1463 CD2 TYR A 109 -4.497 11.952 1.917 1.00 0.00 C ATOM 1464 CE1 TYR A 109 -5.373 9.347 2.064 1.00 0.00 C ATOM 1465 CE2 TYR A 109 -3.944 11.090 2.846 1.00 0.00 C ATOM 1466 CZ TYR A 109 -4.387 9.791 2.916 1.00 0.00 C ATOM 1467 OH TYR A 109 -3.844 8.930 3.842 1.00 0.00 O ATOM 0 H TYR A 109 -4.783 11.537 -2.183 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.415 11.067 -0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.348 13.198 -0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.912 13.022 0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -6.694 9.858 0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -4.149 12.973 1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -5.717 8.325 2.118 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.168 11.436 3.513 1.00 0.00 H new ATOM 0 HH TYR A 109 -3.562 8.104 3.395 1.00 0.00 H new ATOM 1477 N ASP A 110 -8.529 12.627 -2.362 1.00 0.00 N ATOM 1478 CA ASP A 110 -9.286 13.448 -3.280 1.00 0.00 C ATOM 1479 C ASP A 110 -9.603 14.789 -2.646 1.00 0.00 C ATOM 1480 O ASP A 110 -9.792 14.884 -1.431 1.00 0.00 O ATOM 1481 CB ASP A 110 -10.574 12.724 -3.673 1.00 0.00 C ATOM 1482 CG ASP A 110 -11.605 13.659 -4.257 1.00 0.00 C ATOM 1483 OD1 ASP A 110 -11.506 13.988 -5.452 1.00 0.00 O ATOM 1484 OD2 ASP A 110 -12.504 14.077 -3.505 1.00 0.00 O ATOM 0 H ASP A 110 -9.093 11.935 -1.868 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.692 13.625 -4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.342 11.944 -4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -10.992 12.229 -2.796 1.00 0.00 H new ATOM 1489 N GLU A 111 -9.690 15.806 -3.499 1.00 0.00 N ATOM 1490 CA GLU A 111 -9.743 17.202 -3.071 1.00 0.00 C ATOM 1491 C GLU A 111 -10.939 17.497 -2.168 1.00 0.00 C ATOM 1492 O GLU A 111 -10.890 18.425 -1.361 1.00 0.00 O ATOM 1493 CB GLU A 111 -9.783 18.127 -4.287 1.00 0.00 C ATOM 1494 CG GLU A 111 -10.974 17.891 -5.201 1.00 0.00 C ATOM 1495 CD GLU A 111 -11.187 19.038 -6.163 1.00 0.00 C ATOM 1496 OE1 GLU A 111 -11.895 19.998 -5.795 1.00 0.00 O ATOM 1497 OE2 GLU A 111 -10.635 18.999 -7.282 1.00 0.00 O ATOM 0 H GLU A 111 -9.726 15.685 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.839 17.386 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.800 19.161 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.866 17.997 -4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.822 16.970 -5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.871 17.752 -4.598 1.00 0.00 H new ATOM 1504 N LEU A 112 -12.005 16.713 -2.303 1.00 0.00 N ATOM 1505 CA LEU A 112 -13.203 16.913 -1.496 1.00 0.00 C ATOM 1506 C LEU A 112 -12.977 16.426 -0.068 1.00 0.00 C ATOM 1507 O LEU A 112 -13.790 16.668 0.825 1.00 0.00 O ATOM 1508 CB LEU A 112 -14.385 16.174 -2.120 1.00 0.00 C ATOM 1509 CG LEU A 112 -14.615 16.470 -3.600 1.00 0.00 C ATOM 1510 CD1 LEU A 112 -15.677 15.545 -4.170 1.00 0.00 C ATOM 1511 CD2 LEU A 112 -15.011 17.927 -3.803 1.00 0.00 C ATOM 0 H LEU A 112 -12.063 15.936 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.425 17.980 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.231 15.102 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.289 16.431 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.681 16.292 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -15.827 15.771 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -15.353 14.510 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -16.613 15.690 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -15.170 18.116 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -15.931 18.134 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.216 18.575 -3.434 1.00 0.00 H new ATOM 1523 N GLY A 113 -11.859 15.746 0.146 1.00 0.00 N ATOM 1524 CA GLY A 113 -11.551 15.215 1.456 1.00 0.00 C ATOM 1525 C GLY A 113 -11.733 13.715 1.515 1.00 0.00 C ATOM 1526 O GLY A 113 -11.984 13.149 2.580 1.00 0.00 O ATOM 0 H GLY A 113 -11.158 15.553 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.523 15.466 1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.193 15.688 2.199 1.00 0.00 H new ATOM 1530 N ASN A 114 -11.603 13.065 0.368 1.00 0.00 N ATOM 1531 CA ASN A 114 -11.777 11.622 0.298 1.00 0.00 C ATOM 1532 C ASN A 114 -10.436 10.931 0.416 1.00 0.00 C ATOM 1533 O ASN A 114 -9.418 11.481 0.009 1.00 0.00 O ATOM 1534 CB ASN A 114 -12.457 11.204 -1.006 1.00 0.00 C ATOM 1535 CG ASN A 114 -13.889 11.700 -1.111 1.00 0.00 C ATOM 1536 OD1 ASN A 114 -14.805 11.091 -0.562 1.00 0.00 O ATOM 1537 ND2 ASN A 114 -14.105 12.779 -1.848 1.00 0.00 N ATOM 0 H ASN A 114 -11.379 13.511 -0.522 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.418 11.323 1.128 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.882 11.588 -1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.448 10.117 -1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.055 13.129 -1.974 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.322 13.260 -2.289 1.00 0.00 H new ATOM 1544 N ARG A 115 -10.430 9.731 0.961 1.00 0.00 N ATOM 1545 CA ARG A 115 -9.194 8.994 1.113 1.00 0.00 C ATOM 1546 C ARG A 115 -9.307 7.649 0.421 1.00 0.00 C ATOM 1547 O ARG A 115 -10.375 7.042 0.386 1.00 0.00 O ATOM 1548 CB ARG A 115 -8.853 8.792 2.594 1.00 0.00 C ATOM 1549 CG ARG A 115 -9.606 7.643 3.245 1.00 0.00 C ATOM 1550 CD ARG A 115 -9.276 7.520 4.720 1.00 0.00 C ATOM 1551 NE ARG A 115 -9.837 8.630 5.492 1.00 0.00 N ATOM 1552 CZ ARG A 115 -9.176 9.307 6.430 1.00 0.00 C ATOM 1553 NH1 ARG A 115 -7.892 9.068 6.661 1.00 0.00 N ATOM 1554 NH2 ARG A 115 -9.808 10.248 7.122 1.00 0.00 N ATOM 0 H ARG A 115 -11.261 9.249 1.303 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.392 9.572 0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.782 8.613 2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.072 9.712 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -10.678 7.796 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -9.357 6.711 2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.665 6.577 5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.194 7.495 4.851 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.800 8.904 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.399 8.359 6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -7.397 9.593 7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -10.790 10.447 6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -9.311 10.772 7.842 1.00 0.00 H new ATOM 1568 N TYR A 116 -8.209 7.207 -0.151 1.00 0.00 N ATOM 1569 CA TYR A 116 -8.135 5.889 -0.741 1.00 0.00 C ATOM 1570 C TYR A 116 -6.843 5.221 -0.357 1.00 0.00 C ATOM 1571 O TYR A 116 -5.805 5.871 -0.268 1.00 0.00 O ATOM 1572 CB TYR A 116 -8.247 5.953 -2.264 1.00 0.00 C ATOM 1573 CG TYR A 116 -9.667 6.010 -2.761 1.00 0.00 C ATOM 1574 CD1 TYR A 116 -10.440 4.860 -2.789 1.00 0.00 C ATOM 1575 CD2 TYR A 116 -10.234 7.198 -3.200 1.00 0.00 C ATOM 1576 CE1 TYR A 116 -11.738 4.888 -3.238 1.00 0.00 C ATOM 1577 CE2 TYR A 116 -11.538 7.235 -3.653 1.00 0.00 C ATOM 1578 CZ TYR A 116 -12.283 6.073 -3.670 1.00 0.00 C ATOM 1579 OH TYR A 116 -13.579 6.095 -4.116 1.00 0.00 O ATOM 0 H TYR A 116 -7.347 7.748 -0.220 1.00 0.00 H new ATOM 0 HA TYR A 116 -8.974 5.307 -0.360 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -7.709 6.831 -2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.755 5.080 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -10.015 3.926 -2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.648 8.105 -3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -12.327 3.983 -3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.971 8.165 -3.991 1.00 0.00 H new ATOM 0 HH TYR A 116 -13.632 5.654 -4.990 1.00 0.00 H new ATOM 1589 N GLN A 117 -6.921 3.929 -0.124 1.00 0.00 N ATOM 1590 CA GLN A 117 -5.751 3.131 0.159 1.00 0.00 C ATOM 1591 C GLN A 117 -5.684 2.027 -0.873 1.00 0.00 C ATOM 1592 O GLN A 117 -6.610 1.229 -0.990 1.00 0.00 O ATOM 1593 CB GLN A 117 -5.827 2.548 1.572 1.00 0.00 C ATOM 1594 CG GLN A 117 -5.972 3.606 2.654 1.00 0.00 C ATOM 1595 CD GLN A 117 -6.048 3.011 4.049 1.00 0.00 C ATOM 1596 OE1 GLN A 117 -5.028 2.821 4.714 1.00 0.00 O ATOM 1597 NE2 GLN A 117 -7.256 2.719 4.506 1.00 0.00 N ATOM 0 H GLN A 117 -7.796 3.404 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 117 -4.852 3.746 0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -6.672 1.862 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -4.928 1.963 1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -5.126 4.292 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -6.871 4.193 2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -8.076 2.891 3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -7.366 2.322 5.439 1.00 0.00 H new ATOM 1606 N LEU A 118 -4.607 2.001 -1.630 1.00 0.00 N ATOM 1607 CA LEU A 118 -4.502 1.110 -2.767 1.00 0.00 C ATOM 1608 C LEU A 118 -3.997 -0.259 -2.326 1.00 0.00 C ATOM 1609 O LEU A 118 -2.859 -0.395 -1.874 1.00 0.00 O ATOM 1610 CB LEU A 118 -3.575 1.715 -3.828 1.00 0.00 C ATOM 1611 CG LEU A 118 -4.102 1.681 -5.265 1.00 0.00 C ATOM 1612 CD1 LEU A 118 -4.311 0.251 -5.723 1.00 0.00 C ATOM 1613 CD2 LEU A 118 -5.397 2.475 -5.377 1.00 0.00 C ATOM 0 H LEU A 118 -3.788 2.590 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.492 0.982 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.372 2.752 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.623 1.186 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.359 2.143 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -4.686 0.248 -6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.364 -0.286 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -5.034 -0.238 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -5.757 2.440 -6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.147 2.043 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -5.214 3.511 -5.091 1.00 0.00 H new ATOM 1625 N PRO A 119 -4.860 -1.279 -2.421 1.00 0.00 N ATOM 1626 CA PRO A 119 -4.544 -2.651 -2.007 1.00 0.00 C ATOM 1627 C PRO A 119 -3.511 -3.336 -2.908 1.00 0.00 C ATOM 1628 O PRO A 119 -3.366 -3.011 -4.088 1.00 0.00 O ATOM 1629 CB PRO A 119 -5.906 -3.361 -2.110 1.00 0.00 C ATOM 1630 CG PRO A 119 -6.897 -2.254 -2.097 1.00 0.00 C ATOM 1631 CD PRO A 119 -6.246 -1.174 -2.895 1.00 0.00 C ATOM 0 HA PRO A 119 -4.093 -2.679 -1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -5.980 -3.950 -3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -6.062 -4.045 -1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -7.844 -2.562 -2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -7.113 -1.924 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -6.330 -1.345 -3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -6.678 -0.194 -2.694 1.00 0.00 H new ATOM 1639 N VAL A 120 -2.814 -4.312 -2.322 1.00 0.00 N ATOM 1640 CA VAL A 120 -1.704 -5.014 -2.978 1.00 0.00 C ATOM 1641 C VAL A 120 -2.134 -5.759 -4.242 1.00 0.00 C ATOM 1642 O VAL A 120 -1.292 -6.112 -5.065 1.00 0.00 O ATOM 1643 CB VAL A 120 -1.035 -6.039 -2.031 1.00 0.00 C ATOM 1644 CG1 VAL A 120 -0.491 -5.349 -0.797 1.00 0.00 C ATOM 1645 CG2 VAL A 120 -2.009 -7.144 -1.646 1.00 0.00 C ATOM 0 H VAL A 120 -3.003 -4.640 -1.375 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.997 -4.230 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.202 -6.497 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -0.025 -6.086 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.250 -4.606 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.306 -4.858 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.513 -7.850 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.870 -6.709 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.342 -7.664 -2.544 1.00 0.00 H new ATOM 1655 N TYR A 121 -3.441 -5.974 -4.393 1.00 0.00 N ATOM 1656 CA TYR A 121 -3.976 -6.869 -5.423 1.00 0.00 C ATOM 1657 C TYR A 121 -3.583 -6.440 -6.840 1.00 0.00 C ATOM 1658 O TYR A 121 -3.617 -7.247 -7.769 1.00 0.00 O ATOM 1659 CB TYR A 121 -5.503 -6.963 -5.311 1.00 0.00 C ATOM 1660 CG TYR A 121 -6.239 -5.786 -5.916 1.00 0.00 C ATOM 1661 CD1 TYR A 121 -6.130 -4.519 -5.369 1.00 0.00 C ATOM 1662 CD2 TYR A 121 -7.037 -5.949 -7.042 1.00 0.00 C ATOM 1663 CE1 TYR A 121 -6.787 -3.443 -5.925 1.00 0.00 C ATOM 1664 CE2 TYR A 121 -7.704 -4.877 -7.605 1.00 0.00 C ATOM 1665 CZ TYR A 121 -7.575 -3.626 -7.042 1.00 0.00 C ATOM 1666 OH TYR A 121 -8.236 -2.553 -7.598 1.00 0.00 O ATOM 0 H TYR A 121 -4.155 -5.537 -3.810 1.00 0.00 H new ATOM 0 HA TYR A 121 -3.534 -7.850 -5.246 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -5.837 -7.878 -5.801 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -5.775 -7.047 -4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -5.519 -4.371 -4.491 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -7.138 -6.929 -7.484 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -6.685 -2.461 -5.488 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -8.322 -5.019 -8.480 1.00 0.00 H new ATOM 0 HH TYR A 121 -8.746 -2.852 -8.379 1.00 0.00 H new ATOM 1676 N CYS A 122 -3.224 -5.174 -7.007 1.00 0.00 N ATOM 1677 CA CYS A 122 -2.874 -4.655 -8.320 1.00 0.00 C ATOM 1678 C CYS A 122 -1.504 -3.976 -8.285 1.00 0.00 C ATOM 1679 O CYS A 122 -1.129 -3.258 -9.210 1.00 0.00 O ATOM 1680 CB CYS A 122 -3.954 -3.672 -8.787 1.00 0.00 C ATOM 1681 SG CYS A 122 -3.837 -3.187 -10.527 1.00 0.00 S ATOM 0 H CYS A 122 -3.168 -4.491 -6.252 1.00 0.00 H new ATOM 0 HA CYS A 122 -2.818 -5.483 -9.026 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -4.933 -4.120 -8.614 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -3.901 -2.775 -8.170 1.00 0.00 H new ATOM 0 HG CYS A 122 -2.593 -2.970 -10.834 1.00 0.00 H new ATOM 1687 N LEU A 123 -0.747 -4.216 -7.217 1.00 0.00 N ATOM 1688 CA LEU A 123 0.539 -3.554 -7.048 1.00 0.00 C ATOM 1689 C LEU A 123 1.637 -4.536 -6.662 1.00 0.00 C ATOM 1690 O LEU A 123 2.681 -4.604 -7.309 1.00 0.00 O ATOM 1691 CB LEU A 123 0.425 -2.468 -5.985 1.00 0.00 C ATOM 1692 CG LEU A 123 -0.462 -1.283 -6.360 1.00 0.00 C ATOM 1693 CD1 LEU A 123 -0.792 -0.470 -5.123 1.00 0.00 C ATOM 1694 CD2 LEU A 123 0.221 -0.413 -7.409 1.00 0.00 C ATOM 0 H LEU A 123 -1.000 -4.857 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 123 0.811 -3.110 -8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.038 -2.916 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.424 -2.096 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 123 -1.391 -1.662 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -1.425 0.373 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -1.318 -1.098 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.130 -0.100 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -0.426 0.426 -7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.164 -0.037 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.415 -1.006 -8.303 1.00 0.00 H new ATOM 1706 N ALA A 124 1.402 -5.308 -5.616 1.00 0.00 N ATOM 1707 CA ALA A 124 2.436 -6.176 -5.079 1.00 0.00 C ATOM 1708 C ALA A 124 1.931 -7.606 -4.945 1.00 0.00 C ATOM 1709 O ALA A 124 1.022 -7.880 -4.165 1.00 0.00 O ATOM 1710 CB ALA A 124 2.915 -5.646 -3.733 1.00 0.00 C ATOM 0 H ALA A 124 0.510 -5.352 -5.124 1.00 0.00 H new ATOM 0 HA ALA A 124 3.277 -6.183 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.690 -6.303 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.321 -4.642 -3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.078 -5.613 -3.036 1.00 0.00 H new ATOM 1716 N PRO A 125 2.514 -8.540 -5.713 1.00 0.00 N ATOM 1717 CA PRO A 125 2.145 -9.950 -5.667 1.00 0.00 C ATOM 1718 C PRO A 125 3.024 -10.887 -4.785 1.00 0.00 C ATOM 1719 O PRO A 125 2.931 -12.103 -4.962 1.00 0.00 O ATOM 1720 CB PRO A 125 2.286 -10.338 -7.137 1.00 0.00 C ATOM 1721 CG PRO A 125 3.417 -9.499 -7.654 1.00 0.00 C ATOM 1722 CD PRO A 125 3.529 -8.293 -6.748 1.00 0.00 C ATOM 0 HA PRO A 125 1.165 -10.070 -5.205 1.00 0.00 H new ATOM 0 HB2 PRO A 125 2.502 -11.401 -7.246 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.366 -10.142 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 125 4.348 -10.067 -7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.229 -9.191 -8.683 1.00 0.00 H new ATOM 0 HD2 PRO A 125 4.527 -8.206 -6.318 1.00 0.00 H new ATOM 0 HD3 PRO A 125 3.333 -7.367 -7.288 1.00 0.00 H new ATOM 1730 N PRO A 126 3.885 -10.407 -3.832 1.00 0.00 N ATOM 1731 CA PRO A 126 4.592 -11.324 -2.924 1.00 0.00 C ATOM 1732 C PRO A 126 3.633 -11.996 -1.942 1.00 0.00 C ATOM 1733 O PRO A 126 3.962 -12.998 -1.313 1.00 0.00 O ATOM 1734 CB PRO A 126 5.582 -10.428 -2.177 1.00 0.00 C ATOM 1735 CG PRO A 126 4.995 -9.068 -2.257 1.00 0.00 C ATOM 1736 CD PRO A 126 4.282 -9.008 -3.577 1.00 0.00 C ATOM 0 HA PRO A 126 5.078 -12.135 -3.466 1.00 0.00 H new ATOM 0 HB2 PRO A 126 5.701 -10.747 -1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 126 6.570 -10.460 -2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.306 -8.890 -1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 126 5.769 -8.303 -2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 126 3.415 -8.349 -3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 126 4.932 -8.628 -4.365 1.00 0.00 H new ATOM 1744 N ILE A 127 2.444 -11.428 -1.826 1.00 0.00 N ATOM 1745 CA ILE A 127 1.403 -11.975 -0.977 1.00 0.00 C ATOM 1746 C ILE A 127 0.268 -12.531 -1.828 1.00 0.00 C ATOM 1747 O ILE A 127 -0.907 -12.273 -1.576 1.00 0.00 O ATOM 1748 CB ILE A 127 0.845 -10.927 0.015 1.00 0.00 C ATOM 1749 CG1 ILE A 127 0.430 -9.622 -0.699 1.00 0.00 C ATOM 1750 CG2 ILE A 127 1.864 -10.649 1.107 1.00 0.00 C ATOM 1751 CD1 ILE A 127 1.574 -8.685 -1.038 1.00 0.00 C ATOM 0 H ILE A 127 2.175 -10.576 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 127 1.854 -12.777 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.055 -11.341 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.094 -9.880 -1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -0.281 -9.090 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 127 1.462 -9.910 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 127 2.081 -11.571 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.781 -10.266 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 127 1.182 -7.798 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 127 2.086 -8.390 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.276 -9.193 -1.699 1.00 0.00 H new