USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 986 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 107 GLN : amide:sc= -0.481 K(o=-1.1,f=-1.6) USER MOD Set 1.2: A 125 GLN : amide:sc= -0.604 K(o=-1.1,f=-0.53) USER MOD Set 2.1: A 49 GLN : amide:sc= -6.72! C(o=-12!,f=-15!) USER MOD Set 2.2: A 71 CYS SG : rot -179:sc= -5.55! USER MOD Set 3.1: A 12 GLN : amide:sc= -5.1! C(o=-15!,f=-17!) USER MOD Set 3.2: A 40 HIS : no HE2:sc= -9.53! K(o=-15!,f=-17) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.042) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc=-0.00165 X(o=-0.0016,f=-0.11) USER MOD Single : A 31 ASN : amide:sc= -0.82 K(o=-0.82,f=-3.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 138:sc= -2.22! (180deg=-5.52!) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0219 USER MOD Single : A 50 MET CE :methyl 144:sc= -3.65! (180deg=-4.6!) USER MOD Single : A 53 HIS : no HD1:sc= -2.31 K(o=-2.3,f=-3.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 148:sc= -0.483 (180deg=-2.08!) USER MOD Single : A 70 MET CE :methyl -170:sc= -5.14! (180deg=-5.29!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.477 K(o=0.48,f=-0.94) USER MOD Single : A 78 THR OG1 : rot 37:sc= -1.24 USER MOD Single : A 81 THR OG1 : rot -96:sc= 0.00308 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 100 CYS SG : rot -130:sc= -1.28 USER MOD Single : A 104 GLN : amide:sc= -0.659 K(o=-0.66,f=-0.075) USER MOD Single : A 105 TYR OH : rot 80:sc= -1 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -27:sc= 0.249 USER MOD Single : A 114 GLN : amide:sc=-0.00453 X(o=-0.0045,f=-0.0045) USER MOD Single : A 118 THR OG1 : rot -71:sc= 0.946 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 100:sc= -0.346 USER MOD Single : A 123 MET CE :methyl 175:sc= -11! (180deg=-11.1!) USER MOD Single : A 126 ASN : amide:sc= 0.0195 X(o=0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 156 N ARG A 10 7.683 16.686 5.229 1.00 0.00 N ATOM 157 CA ARG A 10 8.354 15.438 5.568 1.00 0.00 C ATOM 158 C ARG A 10 8.812 14.706 4.309 1.00 0.00 C ATOM 159 O ARG A 10 8.725 15.239 3.204 1.00 0.00 O ATOM 160 CB ARG A 10 7.425 14.540 6.389 1.00 0.00 C ATOM 161 CG ARG A 10 7.752 14.523 7.873 1.00 0.00 C ATOM 162 CD ARG A 10 7.111 13.332 8.570 1.00 0.00 C ATOM 163 NE ARG A 10 7.659 13.120 9.907 1.00 0.00 N ATOM 164 CZ ARG A 10 7.328 13.851 10.969 1.00 0.00 C ATOM 165 NH1 ARG A 10 6.454 14.844 10.854 1.00 0.00 N ATOM 166 NH2 ARG A 10 7.872 13.589 12.150 1.00 0.00 N ATOM 0 HA ARG A 10 9.234 15.678 6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.397 14.876 6.256 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.480 13.523 6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.833 14.487 8.008 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.404 15.447 8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.035 13.489 8.640 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.264 12.435 7.969 1.00 0.00 H new ATOM 0 HE ARG A 10 8.335 12.367 10.035 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.032 15.050 9.948 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.204 15.401 11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.544 12.827 12.244 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.618 14.149 12.964 1.00 0.00 H new ATOM 180 N GLN A 11 9.300 13.483 4.487 1.00 0.00 N ATOM 181 CA GLN A 11 9.773 12.678 3.367 1.00 0.00 C ATOM 182 C GLN A 11 8.644 11.827 2.792 1.00 0.00 C ATOM 183 O GLN A 11 7.645 11.566 3.462 1.00 0.00 O ATOM 184 CB GLN A 11 10.934 11.784 3.809 1.00 0.00 C ATOM 185 CG GLN A 11 12.164 11.901 2.924 1.00 0.00 C ATOM 186 CD GLN A 11 13.282 12.692 3.576 1.00 0.00 C ATOM 187 OE1 GLN A 11 14.271 12.124 4.038 1.00 0.00 O ATOM 188 NE2 GLN A 11 13.128 14.010 3.619 1.00 0.00 N ATOM 0 H GLN A 11 9.378 13.028 5.396 1.00 0.00 H new ATOM 0 HA GLN A 11 10.123 13.354 2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.208 12.039 4.833 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.600 10.746 3.817 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.526 10.903 2.679 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.886 12.379 1.985 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.291 14.439 3.223 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.846 14.594 4.048 1.00 0.00 H new ATOM 197 N GLN A 12 8.812 11.396 1.546 1.00 0.00 N ATOM 198 CA GLN A 12 7.809 10.575 0.877 1.00 0.00 C ATOM 199 C GLN A 12 8.449 9.339 0.253 1.00 0.00 C ATOM 200 O GLN A 12 9.087 9.422 -0.797 1.00 0.00 O ATOM 201 CB GLN A 12 7.093 11.391 -0.198 1.00 0.00 C ATOM 202 CG GLN A 12 6.484 12.680 0.326 1.00 0.00 C ATOM 203 CD GLN A 12 5.519 12.445 1.473 1.00 0.00 C ATOM 204 OE1 GLN A 12 4.700 11.528 1.431 1.00 0.00 O ATOM 205 NE2 GLN A 12 5.614 13.276 2.504 1.00 0.00 N ATOM 0 H GLN A 12 9.634 11.602 0.979 1.00 0.00 H new ATOM 0 HA GLN A 12 7.082 10.249 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.800 11.629 -0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.307 10.781 -0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.281 13.346 0.657 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.962 13.187 -0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.309 14.023 2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.992 13.168 3.305 1.00 0.00 H new ATOM 214 N ARG A 13 8.282 8.196 0.909 1.00 0.00 N ATOM 215 CA ARG A 13 8.850 6.947 0.424 1.00 0.00 C ATOM 216 C ARG A 13 7.762 5.894 0.210 1.00 0.00 C ATOM 217 O ARG A 13 6.962 5.622 1.105 1.00 0.00 O ATOM 218 CB ARG A 13 9.893 6.440 1.420 1.00 0.00 C ATOM 219 CG ARG A 13 11.252 6.166 0.795 1.00 0.00 C ATOM 220 CD ARG A 13 12.379 6.450 1.776 1.00 0.00 C ATOM 221 NE ARG A 13 13.512 7.109 1.130 1.00 0.00 N ATOM 222 CZ ARG A 13 14.417 7.838 1.782 1.00 0.00 C ATOM 223 NH1 ARG A 13 14.328 8.003 3.095 1.00 0.00 N ATOM 224 NH2 ARG A 13 15.415 8.404 1.116 1.00 0.00 N ATOM 0 H ARG A 13 7.757 8.110 1.779 1.00 0.00 H new ATOM 0 HA ARG A 13 9.328 7.132 -0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.010 7.176 2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.525 5.525 1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.303 5.127 0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.377 6.784 -0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.006 7.079 2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.712 5.515 2.227 1.00 0.00 H new ATOM 0 HE ARG A 13 13.616 7.005 0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.563 7.570 3.613 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.025 8.562 3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.489 8.281 0.106 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.108 8.962 1.614 1.00 0.00 H new ATOM 238 N PHE A 14 7.744 5.305 -0.982 1.00 0.00 N ATOM 239 CA PHE A 14 6.762 4.277 -1.322 1.00 0.00 C ATOM 240 C PHE A 14 7.457 2.942 -1.567 1.00 0.00 C ATOM 241 O PHE A 14 8.616 2.910 -1.980 1.00 0.00 O ATOM 242 CB PHE A 14 5.969 4.682 -2.571 1.00 0.00 C ATOM 243 CG PHE A 14 5.668 6.153 -2.653 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.675 7.069 -2.915 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.376 6.620 -2.470 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.399 8.421 -2.993 1.00 0.00 C ATOM 247 CE2 PHE A 14 4.093 7.970 -2.546 1.00 0.00 C ATOM 248 CZ PHE A 14 5.107 8.873 -2.808 1.00 0.00 C ATOM 0 H PHE A 14 8.400 5.522 -1.732 1.00 0.00 H new ATOM 0 HA PHE A 14 6.073 4.173 -0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.531 4.386 -3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.031 4.128 -2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.687 6.722 -3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.580 5.919 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.193 9.124 -3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.081 8.320 -2.401 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.889 9.929 -2.868 1.00 0.00 H new ATOM 258 N PHE A 15 6.756 1.838 -1.309 1.00 0.00 N ATOM 259 CA PHE A 15 7.341 0.514 -1.512 1.00 0.00 C ATOM 260 C PHE A 15 6.283 -0.535 -1.843 1.00 0.00 C ATOM 261 O PHE A 15 5.100 -0.366 -1.546 1.00 0.00 O ATOM 262 CB PHE A 15 8.125 0.076 -0.271 1.00 0.00 C ATOM 263 CG PHE A 15 8.859 1.194 0.410 1.00 0.00 C ATOM 264 CD1 PHE A 15 8.178 2.099 1.203 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.230 1.339 0.255 1.00 0.00 C ATOM 266 CE1 PHE A 15 8.847 3.131 1.831 1.00 0.00 C ATOM 267 CE2 PHE A 15 10.904 2.370 0.882 1.00 0.00 C ATOM 268 CZ PHE A 15 10.210 3.267 1.670 1.00 0.00 C ATOM 0 H PHE A 15 5.796 1.833 -0.964 1.00 0.00 H new ATOM 0 HA PHE A 15 8.017 0.592 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.436 -0.379 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.841 -0.694 -0.559 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.111 1.998 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.776 0.640 -0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.303 3.831 2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.972 2.474 0.756 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.734 4.074 2.160 1.00 0.00 H new ATOM 278 N ARG A 16 6.736 -1.628 -2.455 1.00 0.00 N ATOM 279 CA ARG A 16 5.866 -2.736 -2.831 1.00 0.00 C ATOM 280 C ARG A 16 6.643 -4.047 -2.784 1.00 0.00 C ATOM 281 O ARG A 16 7.836 -4.077 -3.085 1.00 0.00 O ATOM 282 CB ARG A 16 5.302 -2.524 -4.236 1.00 0.00 C ATOM 283 CG ARG A 16 4.340 -3.615 -4.681 1.00 0.00 C ATOM 284 CD ARG A 16 4.518 -3.946 -6.156 1.00 0.00 C ATOM 285 NE ARG A 16 4.893 -5.343 -6.362 1.00 0.00 N ATOM 286 CZ ARG A 16 5.264 -5.844 -7.539 1.00 0.00 C ATOM 287 NH1 ARG A 16 5.314 -5.067 -8.613 1.00 0.00 N ATOM 288 NH2 ARG A 16 5.586 -7.126 -7.640 1.00 0.00 N ATOM 0 H ARG A 16 7.715 -1.768 -2.703 1.00 0.00 H new ATOM 0 HA ARG A 16 5.038 -2.779 -2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.788 -1.563 -4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.128 -2.469 -4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.503 -4.512 -4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.314 -3.294 -4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.590 -3.737 -6.689 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.284 -3.298 -6.583 1.00 0.00 H new ATOM 0 HE ARG A 16 4.869 -5.971 -5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.068 -4.080 -8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.599 -5.457 -9.512 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.549 -7.727 -6.817 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.870 -7.511 -8.541 1.00 0.00 H new ATOM 302 N ILE A 17 5.972 -5.128 -2.405 1.00 0.00 N ATOM 303 CA ILE A 17 6.626 -6.430 -2.326 1.00 0.00 C ATOM 304 C ILE A 17 5.634 -7.575 -2.527 1.00 0.00 C ATOM 305 O ILE A 17 4.633 -7.672 -1.815 1.00 0.00 O ATOM 306 CB ILE A 17 7.352 -6.625 -0.976 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.662 -5.825 0.137 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.813 -6.217 -1.102 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.420 -5.827 1.447 1.00 0.00 C ATOM 0 H ILE A 17 4.985 -5.131 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 17 7.360 -6.450 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 17 7.305 -7.681 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.531 -4.795 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.666 -6.235 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.314 -6.359 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.298 -6.832 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.874 -5.168 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.872 -5.242 2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.528 -6.851 1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.407 -5.389 1.297 1.00 0.00 H new ATOM 321 N PRO A 18 5.903 -8.464 -3.501 1.00 0.00 N ATOM 322 CA PRO A 18 5.045 -9.606 -3.795 1.00 0.00 C ATOM 323 C PRO A 18 5.431 -10.834 -2.976 1.00 0.00 C ATOM 324 O PRO A 18 6.422 -11.501 -3.277 1.00 0.00 O ATOM 325 CB PRO A 18 5.323 -9.847 -5.273 1.00 0.00 C ATOM 326 CG PRO A 18 6.760 -9.481 -5.445 1.00 0.00 C ATOM 327 CD PRO A 18 7.072 -8.430 -4.403 1.00 0.00 C ATOM 0 HA PRO A 18 3.997 -9.422 -3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.142 -10.886 -5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.679 -9.234 -5.904 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.399 -10.354 -5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.943 -9.097 -6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.995 -8.658 -3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.200 -7.446 -4.854 1.00 0.00 H new ATOM 335 N PHE A 19 4.651 -11.129 -1.942 1.00 0.00 N ATOM 336 CA PHE A 19 4.930 -12.280 -1.090 1.00 0.00 C ATOM 337 C PHE A 19 3.802 -13.301 -1.162 1.00 0.00 C ATOM 338 O PHE A 19 2.624 -12.944 -1.164 1.00 0.00 O ATOM 339 CB PHE A 19 5.141 -11.834 0.358 1.00 0.00 C ATOM 340 CG PHE A 19 4.000 -11.031 0.914 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.817 -11.650 1.285 1.00 0.00 C ATOM 342 CD2 PHE A 19 4.113 -9.659 1.068 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.766 -10.914 1.798 1.00 0.00 C ATOM 344 CE2 PHE A 19 3.065 -8.918 1.581 1.00 0.00 C ATOM 345 CZ PHE A 19 1.891 -9.546 1.946 1.00 0.00 C ATOM 0 H PHE A 19 3.826 -10.592 -1.674 1.00 0.00 H new ATOM 0 HA PHE A 19 5.843 -12.752 -1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.292 -12.715 0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.054 -11.241 0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.715 -12.719 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.030 -9.163 0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.848 -11.407 2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.164 -7.849 1.696 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.071 -8.969 2.347 1.00 0.00 H new ATOM 355 N ILE A 20 4.172 -14.576 -1.223 1.00 0.00 N ATOM 356 CA ILE A 20 3.195 -15.652 -1.296 1.00 0.00 C ATOM 357 C ILE A 20 2.600 -15.947 0.075 1.00 0.00 C ATOM 358 O ILE A 20 3.322 -16.045 1.068 1.00 0.00 O ATOM 359 CB ILE A 20 3.822 -16.947 -1.849 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.587 -16.661 -3.140 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.749 -17.993 -2.092 1.00 0.00 C ATOM 362 CD1 ILE A 20 5.450 -17.814 -3.596 1.00 0.00 C ATOM 0 H ILE A 20 5.143 -14.888 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 20 2.409 -15.315 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 20 4.523 -17.334 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.875 -16.416 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.215 -15.782 -2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.208 -18.901 -2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.241 -18.217 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.027 -17.612 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.964 -17.541 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.185 -18.045 -2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.824 -18.689 -3.774 1.00 0.00 H new ATOM 374 N ARG A 21 1.281 -16.090 0.123 1.00 0.00 N ATOM 375 CA ARG A 21 0.591 -16.378 1.373 1.00 0.00 C ATOM 376 C ARG A 21 1.117 -17.672 1.993 1.00 0.00 C ATOM 377 O ARG A 21 1.381 -18.643 1.284 1.00 0.00 O ATOM 378 CB ARG A 21 -0.915 -16.485 1.135 1.00 0.00 C ATOM 379 CG ARG A 21 -1.724 -15.506 1.966 1.00 0.00 C ATOM 380 CD ARG A 21 -3.203 -15.596 1.643 1.00 0.00 C ATOM 381 NE ARG A 21 -3.872 -16.632 2.427 1.00 0.00 N ATOM 382 CZ ARG A 21 -5.184 -16.670 2.642 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.976 -15.735 2.129 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.709 -17.648 3.370 1.00 0.00 N ATOM 0 H ARG A 21 0.669 -16.011 -0.689 1.00 0.00 H new ATOM 0 HA ARG A 21 0.782 -15.559 2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.122 -16.313 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.241 -17.500 1.362 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.568 -15.710 3.025 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.371 -14.491 1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.676 -14.633 1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.330 -15.806 0.581 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.298 -17.371 2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.579 -14.982 1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.981 -15.770 2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.106 -18.370 3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.715 -17.677 3.535 1.00 0.00 H new ATOM 398 N PRO A 22 1.283 -17.703 3.327 1.00 0.00 N ATOM 399 CA PRO A 22 1.784 -18.889 4.029 1.00 0.00 C ATOM 400 C PRO A 22 0.936 -20.125 3.760 1.00 0.00 C ATOM 401 O PRO A 22 1.459 -21.206 3.493 1.00 0.00 O ATOM 402 CB PRO A 22 1.712 -18.498 5.514 1.00 0.00 C ATOM 403 CG PRO A 22 0.818 -17.306 5.565 1.00 0.00 C ATOM 404 CD PRO A 22 0.998 -16.599 4.254 1.00 0.00 C ATOM 0 HA PRO A 22 2.788 -19.156 3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.314 -19.314 6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.701 -18.265 5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.221 -17.603 5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.082 -16.655 6.399 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.103 -16.049 3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.816 -15.880 4.291 1.00 0.00 H new ATOM 412 N ALA A 23 -0.378 -19.958 3.830 1.00 0.00 N ATOM 413 CA ALA A 23 -1.301 -21.062 3.596 1.00 0.00 C ATOM 414 C ALA A 23 -1.061 -21.700 2.236 1.00 0.00 C ATOM 415 O ALA A 23 -0.784 -22.895 2.138 1.00 0.00 O ATOM 416 CB ALA A 23 -2.739 -20.583 3.713 1.00 0.00 C ATOM 0 H ALA A 23 -0.829 -19.069 4.047 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.121 -21.820 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.416 -21.418 3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.909 -20.184 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.924 -19.803 2.974 1.00 0.00 H new ATOM 422 N ASP A 24 -1.170 -20.893 1.189 1.00 0.00 N ATOM 423 CA ASP A 24 -0.965 -21.372 -0.174 1.00 0.00 C ATOM 424 C ASP A 24 0.500 -21.741 -0.404 1.00 0.00 C ATOM 425 O ASP A 24 0.813 -22.625 -1.205 1.00 0.00 O ATOM 426 CB ASP A 24 -1.397 -20.304 -1.183 1.00 0.00 C ATOM 427 CG ASP A 24 -2.678 -19.599 -0.773 1.00 0.00 C ATOM 428 OD1 ASP A 24 -2.692 -18.977 0.310 1.00 0.00 O ATOM 429 OD2 ASP A 24 -3.664 -19.669 -1.536 1.00 0.00 O ATOM 0 H ASP A 24 -1.400 -19.901 1.256 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.575 -22.264 -0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.600 -19.568 -1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.538 -20.767 -2.159 1.00 0.00 H new ATOM 434 N GLN A 25 1.388 -21.053 0.309 1.00 0.00 N ATOM 435 CA GLN A 25 2.824 -21.283 0.201 1.00 0.00 C ATOM 436 C GLN A 25 3.165 -22.758 0.388 1.00 0.00 C ATOM 437 O GLN A 25 3.784 -23.377 -0.476 1.00 0.00 O ATOM 438 CB GLN A 25 3.560 -20.415 1.238 1.00 0.00 C ATOM 439 CG GLN A 25 4.952 -20.907 1.622 1.00 0.00 C ATOM 440 CD GLN A 25 6.055 -20.093 0.976 1.00 0.00 C ATOM 441 OE1 GLN A 25 6.937 -20.636 0.310 1.00 0.00 O ATOM 442 NE2 GLN A 25 6.013 -18.779 1.169 1.00 0.00 N ATOM 0 H GLN A 25 1.133 -20.324 0.975 1.00 0.00 H new ATOM 0 HA GLN A 25 3.150 -21.001 -0.800 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.645 -19.402 0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.950 -20.358 2.140 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.062 -20.866 2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.058 -21.952 1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.264 -18.369 1.728 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.729 -18.180 0.758 1.00 0.00 H new ATOM 451 N TYR A 26 2.767 -23.312 1.524 1.00 0.00 N ATOM 452 CA TYR A 26 3.045 -24.715 1.822 1.00 0.00 C ATOM 453 C TYR A 26 1.909 -25.626 1.365 1.00 0.00 C ATOM 454 O TYR A 26 2.073 -26.844 1.302 1.00 0.00 O ATOM 455 CB TYR A 26 3.311 -24.917 3.316 1.00 0.00 C ATOM 456 CG TYR A 26 2.441 -24.083 4.225 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.077 -24.323 4.323 1.00 0.00 C ATOM 458 CD2 TYR A 26 2.985 -23.060 4.990 1.00 0.00 C ATOM 459 CE1 TYR A 26 0.280 -23.566 5.157 1.00 0.00 C ATOM 460 CE2 TYR A 26 2.195 -22.298 5.828 1.00 0.00 C ATOM 461 CZ TYR A 26 0.842 -22.554 5.908 1.00 0.00 C ATOM 462 OH TYR A 26 0.050 -21.798 6.741 1.00 0.00 O ATOM 0 H TYR A 26 2.253 -22.817 2.253 1.00 0.00 H new ATOM 0 HA TYR A 26 3.942 -24.988 1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.165 -25.969 3.559 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.356 -24.685 3.521 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.633 -25.114 3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.044 -22.857 4.929 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.780 -23.765 5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.634 -21.506 6.417 1.00 0.00 H new ATOM 0 HH TYR A 26 0.601 -21.129 7.198 1.00 0.00 H new ATOM 472 N LYS A 27 0.760 -25.039 1.042 1.00 0.00 N ATOM 473 CA LYS A 27 -0.385 -25.821 0.589 1.00 0.00 C ATOM 474 C LYS A 27 -0.056 -26.549 -0.707 1.00 0.00 C ATOM 475 O LYS A 27 -0.336 -27.739 -0.851 1.00 0.00 O ATOM 476 CB LYS A 27 -1.602 -24.920 0.386 1.00 0.00 C ATOM 477 CG LYS A 27 -2.567 -24.927 1.559 1.00 0.00 C ATOM 478 CD LYS A 27 -3.383 -23.645 1.615 1.00 0.00 C ATOM 479 CE LYS A 27 -4.754 -23.828 0.984 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.830 -23.919 2.010 1.00 0.00 N ATOM 0 H LYS A 27 0.598 -24.033 1.085 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.618 -26.559 1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.263 -23.899 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.132 -25.237 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.237 -25.783 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.011 -25.047 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.498 -23.331 2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.847 -22.849 1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.960 -22.993 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.756 -24.732 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.749 -24.043 1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.648 -24.731 2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.846 -23.046 2.575 1.00 0.00 H new ATOM 494 N ASP A 28 0.544 -25.828 -1.647 1.00 0.00 N ATOM 495 CA ASP A 28 0.912 -26.413 -2.932 1.00 0.00 C ATOM 496 C ASP A 28 1.870 -25.504 -3.700 1.00 0.00 C ATOM 497 O ASP A 28 1.744 -24.281 -3.660 1.00 0.00 O ATOM 498 CB ASP A 28 -0.340 -26.675 -3.771 1.00 0.00 C ATOM 499 CG ASP A 28 -0.886 -28.076 -3.574 1.00 0.00 C ATOM 500 OD1 ASP A 28 -0.324 -29.020 -4.168 1.00 0.00 O ATOM 501 OD2 ASP A 28 -1.874 -28.228 -2.825 1.00 0.00 O ATOM 0 H ASP A 28 0.785 -24.842 -1.545 1.00 0.00 H new ATOM 0 HA ASP A 28 1.420 -27.357 -2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.109 -25.948 -3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.106 -26.524 -4.825 1.00 0.00 H new ATOM 506 N PRO A 29 2.845 -26.096 -4.416 1.00 0.00 N ATOM 507 CA PRO A 29 3.823 -25.336 -5.199 1.00 0.00 C ATOM 508 C PRO A 29 3.194 -24.669 -6.419 1.00 0.00 C ATOM 509 O PRO A 29 3.684 -23.649 -6.903 1.00 0.00 O ATOM 510 CB PRO A 29 4.835 -26.392 -5.632 1.00 0.00 C ATOM 511 CG PRO A 29 4.069 -27.664 -5.638 1.00 0.00 C ATOM 512 CD PRO A 29 3.065 -27.550 -4.524 1.00 0.00 C ATOM 0 HA PRO A 29 4.261 -24.522 -4.621 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.242 -26.170 -6.618 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.678 -26.440 -4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.572 -27.816 -6.596 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.729 -28.517 -5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.142 -28.081 -4.758 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.447 -27.970 -3.593 1.00 0.00 H new ATOM 520 N GLN A 30 2.102 -25.250 -6.905 1.00 0.00 N ATOM 521 CA GLN A 30 1.401 -24.711 -8.065 1.00 0.00 C ATOM 522 C GLN A 30 0.254 -23.806 -7.627 1.00 0.00 C ATOM 523 O GLN A 30 -0.031 -22.793 -8.266 1.00 0.00 O ATOM 524 CB GLN A 30 0.867 -25.847 -8.938 1.00 0.00 C ATOM 525 CG GLN A 30 1.854 -26.317 -9.995 1.00 0.00 C ATOM 526 CD GLN A 30 1.373 -26.043 -11.407 1.00 0.00 C ATOM 527 OE1 GLN A 30 0.869 -24.959 -11.704 1.00 0.00 O ATOM 528 NE2 GLN A 30 1.527 -27.026 -12.286 1.00 0.00 N ATOM 0 H GLN A 30 1.683 -26.094 -6.514 1.00 0.00 H new ATOM 0 HA GLN A 30 2.108 -24.120 -8.647 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.601 -26.690 -8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.049 -25.517 -9.429 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.812 -25.820 -9.839 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.027 -27.387 -9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.950 -27.908 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.223 -26.899 -13.251 1.00 0.00 H new ATOM 537 N ASN A 31 -0.398 -24.179 -6.531 1.00 0.00 N ATOM 538 CA ASN A 31 -1.511 -23.405 -6.001 1.00 0.00 C ATOM 539 C ASN A 31 -1.046 -22.503 -4.861 1.00 0.00 C ATOM 540 O ASN A 31 -1.643 -22.483 -3.784 1.00 0.00 O ATOM 541 CB ASN A 31 -2.622 -24.338 -5.512 1.00 0.00 C ATOM 542 CG ASN A 31 -2.985 -25.391 -6.539 1.00 0.00 C ATOM 543 OD1 ASN A 31 -2.116 -26.079 -7.075 1.00 0.00 O ATOM 544 ND2 ASN A 31 -4.277 -25.522 -6.820 1.00 0.00 N ATOM 0 H ASN A 31 -0.173 -25.015 -5.992 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.903 -22.778 -6.802 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.303 -24.827 -4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.507 -23.749 -5.271 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.583 -26.214 -7.504 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.963 -24.930 -6.352 1.00 0.00 H new ATOM 551 N LYS A 32 0.027 -21.758 -5.107 1.00 0.00 N ATOM 552 CA LYS A 32 0.577 -20.852 -4.105 1.00 0.00 C ATOM 553 C LYS A 32 0.336 -19.398 -4.498 1.00 0.00 C ATOM 554 O LYS A 32 1.278 -18.640 -4.730 1.00 0.00 O ATOM 555 CB LYS A 32 2.076 -21.105 -3.906 1.00 0.00 C ATOM 556 CG LYS A 32 2.749 -21.791 -5.084 1.00 0.00 C ATOM 557 CD LYS A 32 2.742 -20.908 -6.322 1.00 0.00 C ATOM 558 CE LYS A 32 4.131 -20.783 -6.927 1.00 0.00 C ATOM 559 NZ LYS A 32 4.082 -20.633 -8.407 1.00 0.00 N ATOM 0 H LYS A 32 0.533 -21.764 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 32 0.065 -21.045 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.573 -20.153 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.216 -21.716 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.776 -22.043 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.237 -22.728 -5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.058 -21.323 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.367 -19.918 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.640 -19.923 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.719 -21.664 -6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.049 -20.551 -8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.619 -21.465 -8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.543 -19.778 -8.652 1.00 0.00 H new ATOM 573 N LYS A 33 -0.936 -19.019 -4.571 1.00 0.00 N ATOM 574 CA LYS A 33 -1.322 -17.656 -4.936 1.00 0.00 C ATOM 575 C LYS A 33 -0.427 -16.623 -4.255 1.00 0.00 C ATOM 576 O LYS A 33 -0.023 -16.798 -3.105 1.00 0.00 O ATOM 577 CB LYS A 33 -2.784 -17.406 -4.558 1.00 0.00 C ATOM 578 CG LYS A 33 -3.759 -17.651 -5.700 1.00 0.00 C ATOM 579 CD LYS A 33 -4.384 -19.036 -5.614 1.00 0.00 C ATOM 580 CE LYS A 33 -3.993 -19.901 -6.801 1.00 0.00 C ATOM 581 NZ LYS A 33 -4.689 -19.482 -8.048 1.00 0.00 N ATOM 0 H LYS A 33 -1.723 -19.639 -4.381 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.202 -17.551 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.049 -18.051 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.891 -16.377 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.544 -16.895 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.240 -17.544 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.069 -19.521 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.469 -18.944 -5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.915 -19.845 -6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.231 -20.942 -6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.395 -20.097 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.717 -19.559 -7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.442 -18.496 -8.269 1.00 0.00 H new ATOM 595 N LYS A 34 -0.118 -15.549 -4.975 1.00 0.00 N ATOM 596 CA LYS A 34 0.736 -14.494 -4.441 1.00 0.00 C ATOM 597 C LYS A 34 -0.039 -13.193 -4.257 1.00 0.00 C ATOM 598 O LYS A 34 -1.011 -12.930 -4.964 1.00 0.00 O ATOM 599 CB LYS A 34 1.930 -14.261 -5.360 1.00 0.00 C ATOM 600 CG LYS A 34 3.231 -14.080 -4.597 1.00 0.00 C ATOM 601 CD LYS A 34 4.456 -14.420 -5.436 1.00 0.00 C ATOM 602 CE LYS A 34 4.265 -15.677 -6.274 1.00 0.00 C ATOM 603 NZ LYS A 34 5.530 -16.450 -6.413 1.00 0.00 N ATOM 0 H LYS A 34 -0.445 -15.387 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 34 1.093 -14.819 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.028 -15.105 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.746 -13.377 -5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.306 -13.048 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.217 -14.711 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.685 -13.581 -6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.315 -14.554 -4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.503 -16.307 -5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.897 -15.402 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.330 -17.465 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.943 -16.274 -7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.202 -16.152 -5.677 1.00 0.00 H new ATOM 617 N GLY A 35 0.406 -12.383 -3.302 1.00 0.00 N ATOM 618 CA GLY A 35 -0.246 -11.117 -3.038 1.00 0.00 C ATOM 619 C GLY A 35 0.730 -9.957 -3.036 1.00 0.00 C ATOM 620 O GLY A 35 1.835 -10.066 -2.501 1.00 0.00 O ATOM 0 H GLY A 35 1.209 -12.583 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.014 -10.942 -3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.752 -11.165 -2.074 1.00 0.00 H new ATOM 624 N TRP A 36 0.323 -8.844 -3.638 1.00 0.00 N ATOM 625 CA TRP A 36 1.170 -7.660 -3.704 1.00 0.00 C ATOM 626 C TRP A 36 0.799 -6.670 -2.606 1.00 0.00 C ATOM 627 O TRP A 36 -0.369 -6.319 -2.440 1.00 0.00 O ATOM 628 CB TRP A 36 1.051 -7.002 -5.079 1.00 0.00 C ATOM 629 CG TRP A 36 1.512 -7.894 -6.190 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.766 -7.955 -6.725 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.726 -8.859 -6.898 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.811 -8.902 -7.718 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.569 -9.471 -7.844 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.609 -9.267 -6.821 1.00 0.00 C ATOM 635 CZ2 TRP A 36 1.122 -10.469 -8.707 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.053 -10.257 -7.679 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.189 -10.848 -8.610 1.00 0.00 C ATOM 0 H TRP A 36 -0.587 -8.738 -4.086 1.00 0.00 H new ATOM 0 HA TRP A 36 2.205 -7.967 -3.551 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.013 -6.719 -5.253 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.638 -6.083 -5.089 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.602 -7.347 -6.413 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.633 -9.143 -8.271 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.281 -8.818 -6.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.786 -10.926 -9.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.083 -10.580 -7.630 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.566 -11.619 -9.265 1.00 0.00 H new ATOM 648 N TRP A 37 1.802 -6.240 -1.849 1.00 0.00 N ATOM 649 CA TRP A 37 1.583 -5.304 -0.753 1.00 0.00 C ATOM 650 C TRP A 37 2.250 -3.960 -1.030 1.00 0.00 C ATOM 651 O TRP A 37 3.472 -3.874 -1.139 1.00 0.00 O ATOM 652 CB TRP A 37 2.136 -5.902 0.541 1.00 0.00 C ATOM 653 CG TRP A 37 1.820 -5.103 1.769 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.584 -4.842 2.283 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.763 -4.472 2.644 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.699 -4.088 3.428 1.00 0.00 N ATOM 657 CE2 TRP A 37 2.027 -3.848 3.668 1.00 0.00 C ATOM 658 CE3 TRP A 37 4.156 -4.375 2.658 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.641 -3.138 4.699 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.763 -3.670 3.680 1.00 0.00 C ATOM 661 CH2 TRP A 37 4.008 -3.061 4.689 1.00 0.00 C ATOM 0 H TRP A 37 2.774 -6.524 -1.974 1.00 0.00 H new ATOM 0 HA TRP A 37 0.511 -5.132 -0.655 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.736 -6.909 0.663 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.218 -5.997 0.451 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.348 -5.178 1.854 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.077 -3.761 4.004 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.748 -4.842 1.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.060 -2.666 5.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.840 -3.587 3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.514 -2.520 5.475 1.00 0.00 H new ATOM 672 N TYR A 38 1.437 -2.910 -1.125 1.00 0.00 N ATOM 673 CA TYR A 38 1.947 -1.565 -1.370 1.00 0.00 C ATOM 674 C TYR A 38 1.739 -0.695 -0.136 1.00 0.00 C ATOM 675 O TYR A 38 0.852 -0.958 0.673 1.00 0.00 O ATOM 676 CB TYR A 38 1.245 -0.921 -2.569 1.00 0.00 C ATOM 677 CG TYR A 38 1.240 -1.768 -3.822 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.597 -2.998 -3.851 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.869 -1.328 -4.981 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.582 -3.769 -4.997 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.856 -2.092 -6.132 1.00 0.00 C ATOM 682 CZ TYR A 38 1.212 -3.312 -6.135 1.00 0.00 C ATOM 683 OH TYR A 38 1.198 -4.076 -7.278 1.00 0.00 O ATOM 0 H TYR A 38 0.422 -2.966 -1.036 1.00 0.00 H new ATOM 0 HA TYR A 38 3.012 -1.643 -1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.215 -0.697 -2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.730 0.030 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.100 -3.358 -2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.376 -0.374 -4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.079 -4.725 -5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.348 -1.736 -7.025 1.00 0.00 H new ATOM 0 HH TYR A 38 1.686 -3.610 -7.989 1.00 0.00 H new ATOM 693 N ALA A 39 2.557 0.341 0.005 1.00 0.00 N ATOM 694 CA ALA A 39 2.441 1.234 1.150 1.00 0.00 C ATOM 695 C ALA A 39 3.314 2.472 0.995 1.00 0.00 C ATOM 696 O ALA A 39 4.520 2.374 0.765 1.00 0.00 O ATOM 697 CB ALA A 39 2.796 0.495 2.430 1.00 0.00 C ATOM 0 H ALA A 39 3.300 0.582 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 39 1.405 1.568 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.706 1.173 3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.117 -0.347 2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.820 0.128 2.366 1.00 0.00 H new ATOM 703 N HIS A 40 2.692 3.636 1.142 1.00 0.00 N ATOM 704 CA HIS A 40 3.399 4.903 1.046 1.00 0.00 C ATOM 705 C HIS A 40 3.733 5.409 2.443 1.00 0.00 C ATOM 706 O HIS A 40 2.878 5.979 3.129 1.00 0.00 O ATOM 707 CB HIS A 40 2.550 5.936 0.301 1.00 0.00 C ATOM 708 CG HIS A 40 3.158 7.304 0.272 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.418 8.452 0.083 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.442 7.705 0.417 1.00 0.00 C ATOM 711 CE1 HIS A 40 3.221 9.500 0.113 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.455 9.075 0.315 1.00 0.00 N ATOM 0 H HIS A 40 1.693 3.726 1.329 1.00 0.00 H new ATOM 0 HA HIS A 40 4.323 4.750 0.488 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.394 5.595 -0.723 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.568 5.994 0.771 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.408 8.486 -0.058 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.298 7.067 0.582 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.920 10.530 -0.007 1.00 0.00 H new ATOM 721 N PHE A 41 4.972 5.179 2.866 1.00 0.00 N ATOM 722 CA PHE A 41 5.417 5.593 4.189 1.00 0.00 C ATOM 723 C PHE A 41 5.894 7.043 4.194 1.00 0.00 C ATOM 724 O PHE A 41 6.909 7.375 3.580 1.00 0.00 O ATOM 725 CB PHE A 41 6.543 4.686 4.690 1.00 0.00 C ATOM 726 CG PHE A 41 6.083 3.334 5.153 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.672 2.376 4.240 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.068 3.020 6.501 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.254 1.129 4.665 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.650 1.776 6.933 1.00 0.00 C ATOM 731 CZ PHE A 41 5.243 0.829 6.013 1.00 0.00 C ATOM 0 H PHE A 41 5.685 4.707 2.310 1.00 0.00 H new ATOM 0 HA PHE A 41 4.559 5.509 4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.272 4.555 3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.057 5.184 5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.678 2.606 3.185 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.387 3.756 7.224 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.936 0.390 3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.641 1.544 7.988 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.917 -0.145 6.348 1.00 0.00 H new ATOM 741 N ASP A 42 5.173 7.896 4.914 1.00 0.00 N ATOM 742 CA ASP A 42 5.536 9.299 5.029 1.00 0.00 C ATOM 743 C ASP A 42 6.492 9.475 6.202 1.00 0.00 C ATOM 744 O ASP A 42 6.121 9.245 7.354 1.00 0.00 O ATOM 745 CB ASP A 42 4.288 10.160 5.232 1.00 0.00 C ATOM 746 CG ASP A 42 4.597 11.644 5.205 1.00 0.00 C ATOM 747 OD1 ASP A 42 5.756 12.015 5.486 1.00 0.00 O ATOM 748 OD2 ASP A 42 3.680 12.437 4.905 1.00 0.00 O ATOM 0 H ASP A 42 4.331 7.636 5.428 1.00 0.00 H new ATOM 0 HA ASP A 42 6.025 9.619 4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.561 9.929 4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.826 9.905 6.186 1.00 0.00 H new ATOM 753 N GLY A 43 7.732 9.852 5.909 1.00 0.00 N ATOM 754 CA GLY A 43 8.709 10.009 6.966 1.00 0.00 C ATOM 755 C GLY A 43 8.911 8.707 7.720 1.00 0.00 C ATOM 756 O GLY A 43 9.001 7.645 7.104 1.00 0.00 O ATOM 0 H GLY A 43 8.074 10.049 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.658 10.339 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.381 10.786 7.657 1.00 0.00 H new ATOM 760 N PRO A 44 8.970 8.746 9.059 1.00 0.00 N ATOM 761 CA PRO A 44 9.149 7.544 9.874 1.00 0.00 C ATOM 762 C PRO A 44 7.884 6.687 9.928 1.00 0.00 C ATOM 763 O PRO A 44 7.923 5.532 10.351 1.00 0.00 O ATOM 764 CB PRO A 44 9.477 8.092 11.275 1.00 0.00 C ATOM 765 CG PRO A 44 9.649 9.569 11.111 1.00 0.00 C ATOM 766 CD PRO A 44 8.868 9.951 9.888 1.00 0.00 C ATOM 0 HA PRO A 44 9.924 6.895 9.466 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.675 7.868 11.979 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.384 7.635 11.670 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.283 10.103 11.988 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.702 9.827 10.996 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.832 10.193 10.127 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.293 10.823 9.391 1.00 0.00 H new ATOM 774 N TRP A 45 6.758 7.270 9.527 1.00 0.00 N ATOM 775 CA TRP A 45 5.475 6.577 9.557 1.00 0.00 C ATOM 776 C TRP A 45 4.877 6.434 8.162 1.00 0.00 C ATOM 777 O TRP A 45 5.513 6.769 7.163 1.00 0.00 O ATOM 778 CB TRP A 45 4.524 7.348 10.468 1.00 0.00 C ATOM 779 CG TRP A 45 5.254 8.084 11.547 1.00 0.00 C ATOM 780 CD1 TRP A 45 5.912 9.273 11.430 1.00 0.00 C ATOM 781 CD2 TRP A 45 5.431 7.657 12.894 1.00 0.00 C ATOM 782 NE1 TRP A 45 6.479 9.615 12.633 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.193 8.638 13.551 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.009 6.541 13.606 1.00 0.00 C ATOM 785 CZ2 TRP A 45 6.542 8.532 14.894 1.00 0.00 C ATOM 786 CZ3 TRP A 45 5.354 6.430 14.939 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.114 7.422 15.573 1.00 0.00 C ATOM 0 H TRP A 45 6.709 8.226 9.176 1.00 0.00 H new ATOM 0 HA TRP A 45 5.629 5.569 9.942 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.947 8.056 9.873 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.813 6.656 10.919 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.977 9.859 10.525 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.024 10.458 12.814 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.421 5.773 13.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.128 9.296 15.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.033 5.565 15.501 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.367 7.309 16.617 1.00 0.00 H new ATOM 798 N ILE A 46 3.649 5.925 8.101 1.00 0.00 N ATOM 799 CA ILE A 46 2.969 5.729 6.826 1.00 0.00 C ATOM 800 C ILE A 46 1.567 6.328 6.840 1.00 0.00 C ATOM 801 O ILE A 46 0.896 6.349 7.871 1.00 0.00 O ATOM 802 CB ILE A 46 2.897 4.231 6.452 1.00 0.00 C ATOM 803 CG1 ILE A 46 1.845 3.977 5.368 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.609 3.387 7.682 1.00 0.00 C ATOM 805 CD1 ILE A 46 2.097 2.718 4.570 1.00 0.00 C ATOM 0 H ILE A 46 3.107 5.642 8.917 1.00 0.00 H new ATOM 0 HA ILE A 46 3.558 6.249 6.070 1.00 0.00 H new ATOM 0 HB ILE A 46 3.868 3.941 6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.862 3.912 5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.820 4.830 4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.562 2.335 7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.403 3.530 8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.656 3.689 8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.315 2.600 3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.066 2.789 4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.093 1.857 5.238 1.00 0.00 H new ATOM 817 N ALA A 47 1.140 6.818 5.679 1.00 0.00 N ATOM 818 CA ALA A 47 -0.176 7.427 5.543 1.00 0.00 C ATOM 819 C ALA A 47 -1.019 6.734 4.474 1.00 0.00 C ATOM 820 O ALA A 47 -2.245 6.849 4.479 1.00 0.00 O ATOM 821 CB ALA A 47 -0.035 8.908 5.223 1.00 0.00 C ATOM 0 H ALA A 47 1.688 6.804 4.819 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.694 7.309 6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.024 9.354 5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.507 9.404 6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.513 9.028 4.288 1.00 0.00 H new ATOM 827 N ARG A 48 -0.373 6.021 3.550 1.00 0.00 N ATOM 828 CA ARG A 48 -1.103 5.333 2.489 1.00 0.00 C ATOM 829 C ARG A 48 -0.720 3.858 2.421 1.00 0.00 C ATOM 830 O ARG A 48 0.450 3.505 2.555 1.00 0.00 O ATOM 831 CB ARG A 48 -0.840 6.007 1.140 1.00 0.00 C ATOM 832 CG ARG A 48 -2.106 6.393 0.396 1.00 0.00 C ATOM 833 CD ARG A 48 -1.803 6.864 -1.018 1.00 0.00 C ATOM 834 NE ARG A 48 -0.879 7.997 -1.035 1.00 0.00 N ATOM 835 CZ ARG A 48 -0.177 8.368 -2.105 1.00 0.00 C ATOM 836 NH1 ARG A 48 -0.291 7.698 -3.245 1.00 0.00 N ATOM 837 NH2 ARG A 48 0.635 9.414 -2.038 1.00 0.00 N ATOM 0 H ARG A 48 0.640 5.907 3.516 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.167 5.397 2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.237 6.900 1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.252 5.334 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.782 5.538 0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.622 7.184 0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.376 6.040 -1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.732 7.147 -1.512 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.765 8.536 -0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.918 6.896 -3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.248 7.986 -4.062 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.723 9.936 -1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.172 9.696 -2.858 1.00 0.00 H new ATOM 851 N GLN A 49 -1.715 3.001 2.209 1.00 0.00 N ATOM 852 CA GLN A 49 -1.477 1.565 2.121 1.00 0.00 C ATOM 853 C GLN A 49 -2.562 0.886 1.289 1.00 0.00 C ATOM 854 O GLN A 49 -3.745 1.215 1.401 1.00 0.00 O ATOM 855 CB GLN A 49 -1.418 0.953 3.526 1.00 0.00 C ATOM 856 CG GLN A 49 -1.535 -0.566 3.545 1.00 0.00 C ATOM 857 CD GLN A 49 -0.488 -1.220 4.427 1.00 0.00 C ATOM 858 OE1 GLN A 49 0.667 -1.371 4.031 1.00 0.00 O ATOM 859 NE2 GLN A 49 -0.890 -1.615 5.629 1.00 0.00 N ATOM 0 H GLN A 49 -2.691 3.276 2.095 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.519 1.403 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.478 1.241 3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.220 1.377 4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.528 -0.846 3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.438 -0.947 2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.858 -1.470 5.916 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.231 -2.064 6.265 1.00 0.00 H new ATOM 868 N MET A 50 -2.151 -0.064 0.455 1.00 0.00 N ATOM 869 CA MET A 50 -3.082 -0.795 -0.396 1.00 0.00 C ATOM 870 C MET A 50 -2.704 -2.271 -0.474 1.00 0.00 C ATOM 871 O MET A 50 -1.633 -2.622 -0.967 1.00 0.00 O ATOM 872 CB MET A 50 -3.108 -0.189 -1.801 1.00 0.00 C ATOM 873 CG MET A 50 -4.151 -0.815 -2.714 1.00 0.00 C ATOM 874 SD MET A 50 -3.450 -1.433 -4.256 1.00 0.00 S ATOM 875 CE MET A 50 -2.680 0.049 -4.900 1.00 0.00 C ATOM 0 H MET A 50 -1.176 -0.346 0.351 1.00 0.00 H new ATOM 0 HA MET A 50 -4.076 -0.715 0.045 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.301 0.881 -1.723 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.124 -0.303 -2.255 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.642 -1.635 -2.189 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.920 -0.076 -2.940 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.752 -0.214 -5.408 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.355 0.533 -5.605 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.463 0.732 -4.079 1.00 0.00 H new ATOM 885 N GLU A 51 -3.593 -3.131 0.018 1.00 0.00 N ATOM 886 CA GLU A 51 -3.352 -4.572 0.005 1.00 0.00 C ATOM 887 C GLU A 51 -4.009 -5.226 -1.209 1.00 0.00 C ATOM 888 O GLU A 51 -5.147 -4.911 -1.553 1.00 0.00 O ATOM 889 CB GLU A 51 -3.882 -5.210 1.293 1.00 0.00 C ATOM 890 CG GLU A 51 -2.840 -6.019 2.048 1.00 0.00 C ATOM 891 CD GLU A 51 -2.355 -5.317 3.303 1.00 0.00 C ATOM 892 OE1 GLU A 51 -2.036 -4.112 3.224 1.00 0.00 O ATOM 893 OE2 GLU A 51 -2.294 -5.973 4.364 1.00 0.00 O ATOM 0 H GLU A 51 -4.485 -2.856 0.430 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.276 -4.734 -0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.263 -4.425 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.724 -5.857 1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.262 -6.987 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.991 -6.213 1.393 1.00 0.00 H new ATOM 900 N LEU A 52 -3.284 -6.137 -1.854 1.00 0.00 N ATOM 901 CA LEU A 52 -3.800 -6.833 -3.029 1.00 0.00 C ATOM 902 C LEU A 52 -3.521 -8.331 -2.946 1.00 0.00 C ATOM 903 O LEU A 52 -2.366 -8.753 -2.891 1.00 0.00 O ATOM 904 CB LEU A 52 -3.172 -6.265 -4.303 1.00 0.00 C ATOM 905 CG LEU A 52 -3.595 -4.838 -4.658 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.691 -4.270 -5.742 1.00 0.00 C ATOM 907 CD2 LEU A 52 -5.049 -4.811 -5.104 1.00 0.00 C ATOM 0 H LEU A 52 -2.339 -6.410 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.879 -6.681 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.088 -6.289 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.425 -6.920 -5.137 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.497 -4.215 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.005 -3.255 -5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.661 -4.256 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.758 -4.892 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.334 -3.789 -5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.172 -5.446 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.684 -5.179 -4.298 1.00 0.00 H new ATOM 919 N HIS A 53 -4.583 -9.132 -2.942 1.00 0.00 N ATOM 920 CA HIS A 53 -4.441 -10.581 -2.871 1.00 0.00 C ATOM 921 C HIS A 53 -5.500 -11.276 -3.728 1.00 0.00 C ATOM 922 O HIS A 53 -6.675 -10.917 -3.688 1.00 0.00 O ATOM 923 CB HIS A 53 -4.552 -11.052 -1.420 1.00 0.00 C ATOM 924 CG HIS A 53 -3.231 -11.366 -0.791 1.00 0.00 C ATOM 925 ND1 HIS A 53 -2.670 -12.624 -0.804 1.00 0.00 N ATOM 926 CD2 HIS A 53 -2.355 -10.573 -0.128 1.00 0.00 C ATOM 927 CE1 HIS A 53 -1.508 -12.594 -0.176 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.293 -11.360 0.242 1.00 0.00 N ATOM 0 H HIS A 53 -5.547 -8.803 -2.987 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.457 -10.845 -3.258 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.051 -10.280 -0.833 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.184 -11.940 -1.382 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.471 -9.518 0.072 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.847 -13.435 -0.030 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.471 -11.043 0.756 1.00 0.00 H new ATOM 937 N PRO A 54 -5.099 -12.292 -4.515 1.00 0.00 N ATOM 938 CA PRO A 54 -6.022 -13.034 -5.375 1.00 0.00 C ATOM 939 C PRO A 54 -7.228 -13.560 -4.606 1.00 0.00 C ATOM 940 O PRO A 54 -8.303 -13.755 -5.173 1.00 0.00 O ATOM 941 CB PRO A 54 -5.178 -14.199 -5.913 1.00 0.00 C ATOM 942 CG PRO A 54 -3.946 -14.215 -5.073 1.00 0.00 C ATOM 943 CD PRO A 54 -3.728 -12.800 -4.627 1.00 0.00 C ATOM 0 HA PRO A 54 -6.434 -12.402 -6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.718 -15.143 -5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.934 -14.055 -6.966 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.067 -14.879 -4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.091 -14.580 -5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.197 -12.751 -3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.142 -12.232 -5.349 1.00 0.00 H new ATOM 951 N ASP A 55 -7.043 -13.785 -3.310 1.00 0.00 N ATOM 952 CA ASP A 55 -8.116 -14.284 -2.458 1.00 0.00 C ATOM 953 C ASP A 55 -8.770 -13.146 -1.681 1.00 0.00 C ATOM 954 O ASP A 55 -9.927 -13.245 -1.273 1.00 0.00 O ATOM 955 CB ASP A 55 -7.580 -15.339 -1.488 1.00 0.00 C ATOM 956 CG ASP A 55 -6.300 -14.903 -0.804 1.00 0.00 C ATOM 957 OD1 ASP A 55 -6.309 -13.840 -0.148 1.00 0.00 O ATOM 958 OD2 ASP A 55 -5.287 -15.624 -0.925 1.00 0.00 O ATOM 0 H ASP A 55 -6.159 -13.629 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.870 -14.741 -3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.337 -15.552 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.400 -16.268 -2.030 1.00 0.00 H new ATOM 963 N LYS A 56 -8.024 -12.062 -1.479 1.00 0.00 N ATOM 964 CA LYS A 56 -8.535 -10.907 -0.753 1.00 0.00 C ATOM 965 C LYS A 56 -8.562 -9.669 -1.650 1.00 0.00 C ATOM 966 O LYS A 56 -7.523 -9.244 -2.163 1.00 0.00 O ATOM 967 CB LYS A 56 -7.679 -10.634 0.486 1.00 0.00 C ATOM 968 CG LYS A 56 -7.847 -11.677 1.582 1.00 0.00 C ATOM 969 CD LYS A 56 -6.505 -12.221 2.055 1.00 0.00 C ATOM 970 CE LYS A 56 -6.192 -11.782 3.478 1.00 0.00 C ATOM 971 NZ LYS A 56 -6.252 -12.921 4.434 1.00 0.00 N ATOM 0 H LYS A 56 -7.064 -11.962 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.554 -11.130 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.630 -10.594 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.936 -9.653 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.378 -11.236 2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.462 -12.497 1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.515 -13.310 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.716 -11.877 1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.199 -11.333 3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.900 -11.012 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.033 -12.582 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.206 -13.334 4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.559 -13.644 4.156 1.00 0.00 H new ATOM 985 N PRO A 57 -9.750 -9.069 -1.855 1.00 0.00 N ATOM 986 CA PRO A 57 -9.895 -7.878 -2.698 1.00 0.00 C ATOM 987 C PRO A 57 -8.959 -6.751 -2.270 1.00 0.00 C ATOM 988 O PRO A 57 -8.343 -6.815 -1.206 1.00 0.00 O ATOM 989 CB PRO A 57 -11.362 -7.461 -2.508 1.00 0.00 C ATOM 990 CG PRO A 57 -11.844 -8.226 -1.321 1.00 0.00 C ATOM 991 CD PRO A 57 -11.039 -9.492 -1.287 1.00 0.00 C ATOM 0 HA PRO A 57 -9.638 -8.087 -3.736 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.446 -6.387 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.954 -7.695 -3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.706 -7.652 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.909 -8.443 -1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.929 -9.875 -0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.502 -10.283 -1.877 1.00 0.00 H new ATOM 999 N PRO A 58 -8.837 -5.703 -3.099 1.00 0.00 N ATOM 1000 CA PRO A 58 -7.967 -4.560 -2.804 1.00 0.00 C ATOM 1001 C PRO A 58 -8.287 -3.919 -1.458 1.00 0.00 C ATOM 1002 O PRO A 58 -9.063 -2.965 -1.385 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.259 -3.580 -3.944 1.00 0.00 C ATOM 1004 CG PRO A 58 -8.787 -4.425 -5.051 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.533 -5.550 -4.389 1.00 0.00 C ATOM 0 HA PRO A 58 -6.920 -4.856 -2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.986 -2.827 -3.641 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.357 -3.048 -4.248 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.445 -3.850 -5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.977 -4.806 -5.673 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.587 -5.308 -4.252 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.490 -6.465 -4.981 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.684 -4.443 -0.395 1.00 0.00 N ATOM 1014 CA ILE A 59 -7.907 -3.910 0.944 1.00 0.00 C ATOM 1015 C ILE A 59 -7.322 -2.509 1.068 1.00 0.00 C ATOM 1016 O ILE A 59 -6.132 -2.338 1.332 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.295 -4.821 2.027 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -7.924 -6.211 1.960 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.485 -4.216 3.412 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.253 -7.218 2.865 1.00 0.00 C ATOM 0 H ILE A 59 -7.040 -5.233 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.985 -3.868 1.099 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.225 -4.910 1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.978 -6.138 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.881 -6.572 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.046 -4.875 4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.996 -3.243 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.549 -4.096 3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.750 -8.183 2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.205 -7.319 2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.319 -6.879 3.899 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.171 -1.512 0.868 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.753 -0.118 0.949 1.00 0.00 C ATOM 1034 C LEU A 60 -7.475 0.284 2.394 1.00 0.00 C ATOM 1035 O LEU A 60 -8.310 0.084 3.276 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.830 0.790 0.346 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.690 1.087 -1.155 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -7.885 0.006 -1.865 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -10.063 1.228 -1.794 1.00 0.00 C ATOM 0 H LEU A 60 -9.158 -1.642 0.647 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.831 -0.003 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.803 0.330 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.825 1.737 0.887 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.150 2.028 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.806 0.248 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.887 -0.049 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.385 -0.955 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.950 1.438 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.621 0.301 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.604 2.046 -1.318 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.294 0.846 2.628 1.00 0.00 N ATOM 1052 CA LEU A 61 -5.903 1.271 3.966 1.00 0.00 C ATOM 1053 C LEU A 61 -5.322 2.682 3.946 1.00 0.00 C ATOM 1054 O LEU A 61 -4.680 3.088 2.975 1.00 0.00 O ATOM 1055 CB LEU A 61 -4.886 0.291 4.555 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.262 -0.293 5.915 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -4.533 -1.608 6.153 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -4.949 0.704 7.021 1.00 0.00 C ATOM 0 H LEU A 61 -5.592 1.017 1.909 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.795 1.280 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.745 -0.529 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.926 0.799 4.648 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.333 -0.493 5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.814 -2.009 7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.806 -2.321 5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.457 -1.437 6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.222 0.275 7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.883 0.933 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.517 1.619 6.857 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.550 3.424 5.027 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.053 4.789 5.137 1.00 0.00 C ATOM 1072 C VAL A 62 -4.920 5.202 6.600 1.00 0.00 C ATOM 1073 O VAL A 62 -5.752 4.842 7.434 1.00 0.00 O ATOM 1074 CB VAL A 62 -5.978 5.784 4.407 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.375 5.769 5.016 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.388 7.189 4.435 1.00 0.00 C ATOM 0 H VAL A 62 -6.076 3.101 5.839 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.071 4.813 4.665 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.060 5.472 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.011 6.478 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.798 4.768 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.317 6.050 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.057 7.875 3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.269 7.513 5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.416 7.185 3.942 1.00 0.00 H new ATOM 1086 N ALA A 63 -3.869 5.956 6.905 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.628 6.414 8.268 1.00 0.00 C ATOM 1088 C ALA A 63 -4.825 7.188 8.812 1.00 0.00 C ATOM 1089 O ALA A 63 -5.699 7.611 8.055 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.372 7.271 8.324 1.00 0.00 C ATOM 0 H ALA A 63 -3.171 6.263 6.227 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.484 5.536 8.897 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.205 7.606 9.348 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.516 6.685 7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.494 8.138 7.674 1.00 0.00 H new ATOM 1096 N GLY A 64 -4.860 7.367 10.128 1.00 0.00 N ATOM 1097 CA GLY A 64 -5.956 8.087 10.750 1.00 0.00 C ATOM 1098 C GLY A 64 -7.218 7.251 10.838 1.00 0.00 C ATOM 1099 O GLY A 64 -7.623 6.841 11.924 1.00 0.00 O ATOM 0 H GLY A 64 -4.149 7.026 10.775 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.660 8.400 11.751 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.162 8.993 10.180 1.00 0.00 H new ATOM 1103 N LYS A 65 -7.835 6.995 9.689 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.055 6.198 9.637 1.00 0.00 C ATOM 1105 C LYS A 65 -8.767 4.748 10.014 1.00 0.00 C ATOM 1106 O LYS A 65 -9.357 4.210 10.951 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.668 6.263 8.238 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.174 6.479 8.244 1.00 0.00 C ATOM 1109 CD LYS A 65 -11.929 5.161 8.153 1.00 0.00 C ATOM 1110 CE LYS A 65 -12.723 4.885 9.421 1.00 0.00 C ATOM 1111 NZ LYS A 65 -14.140 5.322 9.296 1.00 0.00 N ATOM 0 H LYS A 65 -7.510 7.328 8.781 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.764 6.609 10.355 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.195 7.071 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.444 5.337 7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.463 7.003 9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.454 7.118 7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.604 5.186 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.224 4.348 7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.691 3.819 9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.257 5.401 10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.646 5.116 10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.173 6.344 9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.593 4.811 8.511 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.852 4.125 9.280 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.476 2.741 9.535 1.00 0.00 C ATOM 1127 C ASP A 66 -6.060 2.665 10.099 1.00 0.00 C ATOM 1128 O ASP A 66 -5.249 1.846 9.667 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.577 1.920 8.249 1.00 0.00 C ATOM 1130 CG ASP A 66 -9.008 1.534 7.922 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.933 2.212 8.418 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -9.202 0.554 7.172 1.00 0.00 O ATOM 0 H ASP A 66 -7.356 4.559 8.501 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.164 2.327 10.272 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.160 2.493 7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.973 1.018 8.348 1.00 0.00 H new ATOM 1137 N ASP A 67 -5.772 3.531 11.067 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.458 3.572 11.696 1.00 0.00 C ATOM 1139 C ASP A 67 -4.143 2.262 12.414 1.00 0.00 C ATOM 1140 O ASP A 67 -2.979 1.943 12.655 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.382 4.739 12.684 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.061 5.479 12.606 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -2.007 4.831 12.773 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -3.082 6.707 12.375 1.00 0.00 O ATOM 0 H ASP A 67 -6.434 4.215 11.433 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.716 3.714 10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.197 5.434 12.484 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.525 4.363 13.697 1.00 0.00 H new ATOM 1149 N MET A 68 -5.182 1.506 12.753 1.00 0.00 N ATOM 1150 CA MET A 68 -5.004 0.233 13.440 1.00 0.00 C ATOM 1151 C MET A 68 -4.649 -0.867 12.448 1.00 0.00 C ATOM 1152 O MET A 68 -3.924 -1.806 12.778 1.00 0.00 O ATOM 1153 CB MET A 68 -6.275 -0.143 14.206 1.00 0.00 C ATOM 1154 CG MET A 68 -7.495 -0.317 13.316 1.00 0.00 C ATOM 1155 SD MET A 68 -9.033 0.103 14.159 1.00 0.00 S ATOM 1156 CE MET A 68 -8.680 1.774 14.698 1.00 0.00 C ATOM 0 H MET A 68 -6.154 1.752 12.564 1.00 0.00 H new ATOM 0 HA MET A 68 -4.184 0.341 14.150 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.099 -1.070 14.752 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.484 0.629 14.947 1.00 0.00 H new ATOM 0 HG2 MET A 68 -7.387 0.310 12.431 1.00 0.00 H new ATOM 0 HG3 MET A 68 -7.544 -1.350 12.971 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.601 2.356 14.705 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.258 1.751 15.703 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.966 2.233 14.015 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.167 -0.745 11.232 1.00 0.00 N ATOM 1167 CA GLU A 69 -4.905 -1.727 10.189 1.00 0.00 C ATOM 1168 C GLU A 69 -3.600 -1.414 9.462 1.00 0.00 C ATOM 1169 O GLU A 69 -2.859 -2.321 9.082 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.065 -1.766 9.194 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.235 -2.620 9.653 1.00 0.00 C ATOM 1172 CD GLU A 69 -8.193 -1.860 10.548 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -8.179 -0.612 10.509 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -8.959 -2.515 11.288 1.00 0.00 O ATOM 0 H GLU A 69 -5.771 0.025 10.944 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.809 -2.705 10.660 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.416 -0.749 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.701 -2.147 8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.774 -2.991 8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.857 -3.491 10.188 1.00 0.00 H new ATOM 1181 N MET A 70 -3.325 -0.125 9.270 1.00 0.00 N ATOM 1182 CA MET A 70 -2.109 0.315 8.587 1.00 0.00 C ATOM 1183 C MET A 70 -0.878 -0.429 9.100 1.00 0.00 C ATOM 1184 O MET A 70 -0.943 -1.145 10.099 1.00 0.00 O ATOM 1185 CB MET A 70 -1.920 1.824 8.769 1.00 0.00 C ATOM 1186 CG MET A 70 -0.976 2.448 7.753 1.00 0.00 C ATOM 1187 SD MET A 70 -1.544 4.054 7.169 1.00 0.00 S ATOM 1188 CE MET A 70 -2.066 3.640 5.507 1.00 0.00 C ATOM 0 H MET A 70 -3.930 0.636 9.579 1.00 0.00 H new ATOM 0 HA MET A 70 -2.222 0.088 7.527 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.891 2.314 8.699 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.538 2.015 9.772 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.012 2.558 8.201 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.868 1.775 6.903 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.277 4.555 4.953 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.273 3.086 5.004 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.966 3.027 5.550 1.00 0.00 H new ATOM 1198 N CYS A 71 0.242 -0.251 8.405 1.00 0.00 N ATOM 1199 CA CYS A 71 1.495 -0.903 8.783 1.00 0.00 C ATOM 1200 C CYS A 71 1.819 -0.660 10.255 1.00 0.00 C ATOM 1201 O CYS A 71 2.505 -1.461 10.889 1.00 0.00 O ATOM 1202 CB CYS A 71 2.654 -0.403 7.911 1.00 0.00 C ATOM 1203 SG CYS A 71 2.238 -0.159 6.167 1.00 0.00 S ATOM 0 H CYS A 71 0.309 0.340 7.576 1.00 0.00 H new ATOM 0 HA CYS A 71 1.368 -1.974 8.625 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.017 0.540 8.319 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.475 -1.117 7.978 1.00 0.00 H new ATOM 0 HG CYS A 71 3.291 0.247 5.522 1.00 0.00 H new ATOM 1209 N GLU A 72 1.321 0.452 10.793 1.00 0.00 N ATOM 1210 CA GLU A 72 1.557 0.800 12.190 1.00 0.00 C ATOM 1211 C GLU A 72 3.023 1.146 12.426 1.00 0.00 C ATOM 1212 O GLU A 72 3.388 2.319 12.524 1.00 0.00 O ATOM 1213 CB GLU A 72 1.133 -0.353 13.108 1.00 0.00 C ATOM 1214 CG GLU A 72 -0.019 0.001 14.036 1.00 0.00 C ATOM 1215 CD GLU A 72 -0.516 -1.194 14.825 1.00 0.00 C ATOM 1216 OE1 GLU A 72 -0.440 -2.326 14.302 1.00 0.00 O ATOM 1217 OE2 GLU A 72 -0.982 -0.998 15.967 1.00 0.00 O ATOM 0 H GLU A 72 0.752 1.126 10.281 1.00 0.00 H new ATOM 0 HA GLU A 72 0.955 1.678 12.425 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.846 -1.208 12.495 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.989 -0.663 13.707 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.301 0.781 14.727 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.841 0.413 13.450 1.00 0.00 H new ATOM 1224 N LYS A 73 3.859 0.118 12.520 1.00 0.00 N ATOM 1225 CA LYS A 73 5.292 0.310 12.751 1.00 0.00 C ATOM 1226 C LYS A 73 5.890 1.280 11.736 1.00 0.00 C ATOM 1227 O LYS A 73 5.184 1.813 10.879 1.00 0.00 O ATOM 1228 CB LYS A 73 6.052 -1.024 12.696 1.00 0.00 C ATOM 1229 CG LYS A 73 5.361 -2.111 11.889 1.00 0.00 C ATOM 1230 CD LYS A 73 4.516 -3.004 12.781 1.00 0.00 C ATOM 1231 CE LYS A 73 4.657 -4.470 12.401 1.00 0.00 C ATOM 1232 NZ LYS A 73 3.990 -4.775 11.105 1.00 0.00 N ATOM 0 H LYS A 73 3.572 -0.858 12.440 1.00 0.00 H new ATOM 0 HA LYS A 73 5.399 0.733 13.750 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.040 -0.847 12.272 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.202 -1.384 13.714 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.731 -1.655 11.125 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.107 -2.712 11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.814 -2.867 13.821 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.470 -2.707 12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.714 -4.728 12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.226 -5.091 13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.109 -5.784 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.976 -4.553 11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.418 -4.201 10.351 1.00 0.00 H new ATOM 1246 N ASN A 74 7.197 1.504 11.839 1.00 0.00 N ATOM 1247 CA ASN A 74 7.895 2.407 10.931 1.00 0.00 C ATOM 1248 C ASN A 74 8.525 1.630 9.775 1.00 0.00 C ATOM 1249 O ASN A 74 8.185 0.472 9.537 1.00 0.00 O ATOM 1250 CB ASN A 74 8.964 3.199 11.687 1.00 0.00 C ATOM 1251 CG ASN A 74 8.427 3.835 12.956 1.00 0.00 C ATOM 1252 OD1 ASN A 74 8.176 3.149 13.948 1.00 0.00 O ATOM 1253 ND2 ASN A 74 8.245 5.153 12.933 1.00 0.00 N ATOM 0 H ASN A 74 7.794 1.071 12.544 1.00 0.00 H new ATOM 0 HA ASN A 74 7.169 3.107 10.517 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.792 2.537 11.939 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.364 3.976 11.036 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.885 5.633 13.758 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.466 5.684 12.090 1.00 0.00 H new ATOM 1260 N LEU A 75 9.441 2.276 9.059 1.00 0.00 N ATOM 1261 CA LEU A 75 10.112 1.647 7.926 1.00 0.00 C ATOM 1262 C LEU A 75 11.060 0.540 8.381 1.00 0.00 C ATOM 1263 O LEU A 75 11.034 -0.571 7.851 1.00 0.00 O ATOM 1264 CB LEU A 75 10.890 2.694 7.125 1.00 0.00 C ATOM 1265 CG LEU A 75 10.030 3.630 6.275 1.00 0.00 C ATOM 1266 CD1 LEU A 75 9.198 2.834 5.282 1.00 0.00 C ATOM 1267 CD2 LEU A 75 9.134 4.483 7.162 1.00 0.00 C ATOM 0 H LEU A 75 9.736 3.235 9.244 1.00 0.00 H new ATOM 0 HA LEU A 75 9.345 1.200 7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.479 3.295 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.595 2.179 6.472 1.00 0.00 H new ATOM 0 HG LEU A 75 10.690 4.293 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.592 3.516 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.859 2.267 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.546 2.147 5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.529 5.143 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.481 3.837 7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.750 5.081 7.834 1.00 0.00 H new ATOM 1279 N GLU A 76 11.902 0.854 9.358 1.00 0.00 N ATOM 1280 CA GLU A 76 12.869 -0.109 9.876 1.00 0.00 C ATOM 1281 C GLU A 76 12.180 -1.319 10.503 1.00 0.00 C ATOM 1282 O GLU A 76 12.712 -2.428 10.476 1.00 0.00 O ATOM 1283 CB GLU A 76 13.779 0.561 10.908 1.00 0.00 C ATOM 1284 CG GLU A 76 13.031 1.423 11.910 1.00 0.00 C ATOM 1285 CD GLU A 76 13.763 1.551 13.232 1.00 0.00 C ATOM 1286 OE1 GLU A 76 15.002 1.702 13.212 1.00 0.00 O ATOM 1287 OE2 GLU A 76 13.096 1.499 14.287 1.00 0.00 O ATOM 0 H GLU A 76 11.936 1.768 9.809 1.00 0.00 H new ATOM 0 HA GLU A 76 13.467 -0.460 9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.333 -0.209 11.446 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.513 1.177 10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.878 2.416 11.486 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.044 0.995 12.086 1.00 0.00 H new ATOM 1294 N GLU A 77 11.001 -1.100 11.077 1.00 0.00 N ATOM 1295 CA GLU A 77 10.257 -2.179 11.721 1.00 0.00 C ATOM 1296 C GLU A 77 9.445 -2.982 10.707 1.00 0.00 C ATOM 1297 O GLU A 77 9.178 -4.164 10.915 1.00 0.00 O ATOM 1298 CB GLU A 77 9.331 -1.613 12.799 1.00 0.00 C ATOM 1299 CG GLU A 77 9.908 -1.701 14.203 1.00 0.00 C ATOM 1300 CD GLU A 77 10.791 -0.519 14.546 1.00 0.00 C ATOM 1301 OE1 GLU A 77 10.260 0.605 14.666 1.00 0.00 O ATOM 1302 OE2 GLU A 77 12.016 -0.717 14.696 1.00 0.00 O ATOM 0 H GLU A 77 10.541 -0.190 11.110 1.00 0.00 H new ATOM 0 HA GLU A 77 10.980 -2.851 12.182 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.114 -0.570 12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.383 -2.150 12.770 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.092 -1.762 14.924 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.486 -2.621 14.297 1.00 0.00 H new ATOM 1309 N THR A 78 9.051 -2.336 9.614 1.00 0.00 N ATOM 1310 CA THR A 78 8.266 -3.004 8.582 1.00 0.00 C ATOM 1311 C THR A 78 9.087 -4.079 7.878 1.00 0.00 C ATOM 1312 O THR A 78 8.942 -5.269 8.159 1.00 0.00 O ATOM 1313 CB THR A 78 7.747 -1.988 7.562 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.609 -0.868 7.488 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.358 -1.479 7.878 1.00 0.00 C ATOM 0 H THR A 78 9.261 -1.357 9.421 1.00 0.00 H new ATOM 0 HA THR A 78 7.416 -3.484 9.067 1.00 0.00 H new ATOM 0 HB THR A 78 7.712 -2.523 6.613 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.539 -1.164 7.577 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.051 -0.763 7.116 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.659 -2.315 7.893 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.362 -0.992 8.853 1.00 0.00 H new ATOM 1323 N GLY A 79 9.952 -3.654 6.961 1.00 0.00 N ATOM 1324 CA GLY A 79 10.782 -4.598 6.235 1.00 0.00 C ATOM 1325 C GLY A 79 11.018 -4.185 4.794 1.00 0.00 C ATOM 1326 O GLY A 79 11.984 -4.622 4.168 1.00 0.00 O ATOM 0 H GLY A 79 10.092 -2.676 6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.742 -4.696 6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.310 -5.580 6.254 1.00 0.00 H new ATOM 1330 N LEU A 80 10.133 -3.342 4.263 1.00 0.00 N ATOM 1331 CA LEU A 80 10.254 -2.873 2.885 1.00 0.00 C ATOM 1332 C LEU A 80 11.645 -2.309 2.618 1.00 0.00 C ATOM 1333 O LEU A 80 12.172 -2.423 1.511 1.00 0.00 O ATOM 1334 CB LEU A 80 9.195 -1.808 2.595 1.00 0.00 C ATOM 1335 CG LEU A 80 7.752 -2.235 2.876 1.00 0.00 C ATOM 1336 CD1 LEU A 80 6.967 -1.091 3.499 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.078 -2.711 1.596 1.00 0.00 C ATOM 0 H LEU A 80 9.327 -2.971 4.766 1.00 0.00 H new ATOM 0 HA LEU A 80 10.097 -3.725 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.419 -0.923 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.274 -1.515 1.548 1.00 0.00 H new ATOM 0 HG LEU A 80 7.771 -3.063 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.944 -1.414 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.437 -0.796 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.957 -0.242 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.053 -3.011 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.072 -1.902 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.626 -3.562 1.191 1.00 0.00 H new ATOM 1349 N THR A 81 12.237 -1.703 3.640 1.00 0.00 N ATOM 1350 CA THR A 81 13.569 -1.123 3.519 1.00 0.00 C ATOM 1351 C THR A 81 14.643 -2.187 3.720 1.00 0.00 C ATOM 1352 O THR A 81 15.724 -2.112 3.135 1.00 0.00 O ATOM 1353 CB THR A 81 13.754 0.005 4.533 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.588 -0.477 5.855 1.00 0.00 O ATOM 1355 CG2 THR A 81 12.786 1.151 4.337 1.00 0.00 C ATOM 0 H THR A 81 11.815 -1.600 4.563 1.00 0.00 H new ATOM 0 HA THR A 81 13.670 -0.714 2.514 1.00 0.00 H new ATOM 0 HB THR A 81 14.767 0.375 4.372 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.670 -0.306 6.153 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.972 1.917 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.924 1.578 3.343 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.764 0.785 4.436 1.00 0.00 H new ATOM 1363 N ARG A 82 14.335 -3.179 4.550 1.00 0.00 N ATOM 1364 CA ARG A 82 15.270 -4.261 4.830 1.00 0.00 C ATOM 1365 C ARG A 82 15.508 -5.110 3.585 1.00 0.00 C ATOM 1366 O ARG A 82 16.585 -5.684 3.409 1.00 0.00 O ATOM 1367 CB ARG A 82 14.744 -5.137 5.967 1.00 0.00 C ATOM 1368 CG ARG A 82 14.555 -4.387 7.277 1.00 0.00 C ATOM 1369 CD ARG A 82 14.949 -5.241 8.470 1.00 0.00 C ATOM 1370 NE ARG A 82 14.194 -6.490 8.525 1.00 0.00 N ATOM 1371 CZ ARG A 82 12.949 -6.584 8.989 1.00 0.00 C ATOM 1372 NH1 ARG A 82 12.317 -5.507 9.437 1.00 0.00 N ATOM 1373 NH2 ARG A 82 12.335 -7.759 9.004 1.00 0.00 N ATOM 0 H ARG A 82 13.444 -3.255 5.040 1.00 0.00 H new ATOM 0 HA ARG A 82 16.219 -3.818 5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.791 -5.573 5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.436 -5.963 6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.155 -3.477 7.266 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.513 -4.081 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.015 -5.464 8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.785 -4.678 9.389 1.00 0.00 H new ATOM 0 HE ARG A 82 14.647 -7.340 8.188 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.784 -4.600 9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.364 -5.585 9.791 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.816 -8.590 8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.382 -7.832 9.359 1.00 0.00 H new ATOM 1387 N LYS A 83 14.499 -5.186 2.722 1.00 0.00 N ATOM 1388 CA LYS A 83 14.600 -5.965 1.493 1.00 0.00 C ATOM 1389 C LYS A 83 15.562 -5.306 0.510 1.00 0.00 C ATOM 1390 O LYS A 83 16.320 -4.407 0.876 1.00 0.00 O ATOM 1391 CB LYS A 83 13.220 -6.123 0.850 1.00 0.00 C ATOM 1392 CG LYS A 83 12.119 -6.456 1.844 1.00 0.00 C ATOM 1393 CD LYS A 83 11.073 -7.371 1.230 1.00 0.00 C ATOM 1394 CE LYS A 83 11.386 -8.836 1.492 1.00 0.00 C ATOM 1395 NZ LYS A 83 10.265 -9.532 2.182 1.00 0.00 N ATOM 0 H LYS A 83 13.602 -4.717 2.851 1.00 0.00 H new ATOM 0 HA LYS A 83 14.989 -6.951 1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.962 -5.200 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.268 -6.909 0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.553 -6.935 2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.644 -5.536 2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.092 -7.129 1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.022 -7.196 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.596 -9.336 0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.288 -8.911 2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.520 -10.528 2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.081 -9.071 3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.410 -9.484 1.591 1.00 0.00 H new ATOM 1409 N ARG A 84 15.530 -5.760 -0.740 1.00 0.00 N ATOM 1410 CA ARG A 84 16.403 -5.212 -1.774 1.00 0.00 C ATOM 1411 C ARG A 84 15.650 -4.221 -2.657 1.00 0.00 C ATOM 1412 O ARG A 84 15.032 -4.604 -3.650 1.00 0.00 O ATOM 1413 CB ARG A 84 16.984 -6.341 -2.632 1.00 0.00 C ATOM 1414 CG ARG A 84 17.853 -5.848 -3.780 1.00 0.00 C ATOM 1415 CD ARG A 84 19.191 -6.569 -3.825 1.00 0.00 C ATOM 1416 NE ARG A 84 19.240 -7.566 -4.893 1.00 0.00 N ATOM 1417 CZ ARG A 84 20.368 -8.039 -5.417 1.00 0.00 C ATOM 1418 NH1 ARG A 84 21.545 -7.611 -4.976 1.00 0.00 N ATOM 1419 NH2 ARG A 84 20.319 -8.943 -6.387 1.00 0.00 N ATOM 0 H ARG A 84 14.911 -6.504 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 84 17.218 -4.682 -1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.575 -7.001 -1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.166 -6.937 -3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.328 -5.997 -4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.021 -4.776 -3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.990 -5.842 -3.971 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.373 -7.055 -2.867 1.00 0.00 H new ATOM 0 HE ARG A 84 18.356 -7.920 -5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 84 21.588 -6.916 -4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 84 22.406 -7.978 -5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.417 -9.274 -6.730 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.183 -9.306 -6.790 1.00 0.00 H new ATOM 1433 N GLY A 85 15.710 -2.946 -2.287 1.00 0.00 N ATOM 1434 CA GLY A 85 15.033 -1.917 -3.057 1.00 0.00 C ATOM 1435 C GLY A 85 13.562 -2.213 -3.267 1.00 0.00 C ATOM 1436 O GLY A 85 13.148 -2.586 -4.366 1.00 0.00 O ATOM 0 H GLY A 85 16.215 -2.606 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.137 -0.960 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.520 -1.815 -4.027 1.00 0.00 H new ATOM 1440 N ALA A 86 12.768 -2.047 -2.215 1.00 0.00 N ATOM 1441 CA ALA A 86 11.334 -2.299 -2.292 1.00 0.00 C ATOM 1442 C ALA A 86 10.575 -1.075 -2.808 1.00 0.00 C ATOM 1443 O ALA A 86 9.348 -1.075 -2.856 1.00 0.00 O ATOM 1444 CB ALA A 86 10.801 -2.710 -0.928 1.00 0.00 C ATOM 0 H ALA A 86 13.093 -1.739 -1.299 1.00 0.00 H new ATOM 0 HA ALA A 86 11.175 -3.112 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.729 -2.896 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.306 -3.618 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.985 -1.911 -0.210 1.00 0.00 H new ATOM 1450 N GLU A 87 11.310 -0.031 -3.187 1.00 0.00 N ATOM 1451 CA GLU A 87 10.700 1.194 -3.690 1.00 0.00 C ATOM 1452 C GLU A 87 9.866 0.928 -4.943 1.00 0.00 C ATOM 1453 O GLU A 87 10.071 -0.067 -5.637 1.00 0.00 O ATOM 1454 CB GLU A 87 11.779 2.234 -3.991 1.00 0.00 C ATOM 1455 CG GLU A 87 11.231 3.632 -4.233 1.00 0.00 C ATOM 1456 CD GLU A 87 11.153 3.984 -5.706 1.00 0.00 C ATOM 1457 OE1 GLU A 87 11.836 3.320 -6.514 1.00 0.00 O ATOM 1458 OE2 GLU A 87 10.408 4.924 -6.052 1.00 0.00 O ATOM 0 H GLU A 87 12.329 -0.011 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 87 10.034 1.578 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.481 2.268 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.342 1.917 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.237 3.709 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.863 4.359 -3.723 1.00 0.00 H new ATOM 1465 N ILE A 88 8.927 1.828 -5.223 1.00 0.00 N ATOM 1466 CA ILE A 88 8.060 1.697 -6.389 1.00 0.00 C ATOM 1467 C ILE A 88 7.684 3.063 -6.952 1.00 0.00 C ATOM 1468 O ILE A 88 8.093 4.099 -6.426 1.00 0.00 O ATOM 1469 CB ILE A 88 6.767 0.933 -6.050 1.00 0.00 C ATOM 1470 CG1 ILE A 88 6.149 1.474 -4.760 1.00 0.00 C ATOM 1471 CG2 ILE A 88 7.044 -0.555 -5.933 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.716 1.928 -4.926 1.00 0.00 C ATOM 0 H ILE A 88 8.747 2.657 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 88 8.624 1.136 -7.134 1.00 0.00 H new ATOM 0 HB ILE A 88 6.053 1.083 -6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.191 0.700 -3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.748 2.311 -4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.119 -1.080 -5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.437 -0.927 -6.879 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.775 -0.728 -5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.339 2.300 -3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.670 2.724 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.104 1.088 -5.255 1.00 0.00 H new ATOM 1484 N LEU A 89 6.892 3.057 -8.020 1.00 0.00 N ATOM 1485 CA LEU A 89 6.449 4.294 -8.653 1.00 0.00 C ATOM 1486 C LEU A 89 4.979 4.565 -8.335 1.00 0.00 C ATOM 1487 O LEU A 89 4.186 3.635 -8.194 1.00 0.00 O ATOM 1488 CB LEU A 89 6.657 4.235 -10.173 1.00 0.00 C ATOM 1489 CG LEU A 89 6.717 2.829 -10.776 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.348 2.168 -10.731 1.00 0.00 C ATOM 1491 CD2 LEU A 89 7.235 2.887 -12.205 1.00 0.00 C ATOM 0 H LEU A 89 6.544 2.208 -8.465 1.00 0.00 H new ATOM 0 HA LEU A 89 7.050 5.110 -8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.848 4.784 -10.654 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.583 4.755 -10.416 1.00 0.00 H new ATOM 0 HG LEU A 89 7.406 2.228 -10.182 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.412 1.170 -11.164 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.014 2.094 -9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.636 2.766 -11.300 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.272 1.880 -12.620 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.569 3.504 -12.809 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.236 3.319 -12.212 1.00 0.00 H new ATOM 1503 N PRO A 90 4.598 5.847 -8.211 1.00 0.00 N ATOM 1504 CA PRO A 90 3.217 6.235 -7.901 1.00 0.00 C ATOM 1505 C PRO A 90 2.249 5.928 -9.041 1.00 0.00 C ATOM 1506 O PRO A 90 1.034 5.904 -8.842 1.00 0.00 O ATOM 1507 CB PRO A 90 3.310 7.745 -7.674 1.00 0.00 C ATOM 1508 CG PRO A 90 4.517 8.171 -8.435 1.00 0.00 C ATOM 1509 CD PRO A 90 5.481 7.020 -8.357 1.00 0.00 C ATOM 0 HA PRO A 90 2.828 5.683 -7.045 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.416 8.255 -8.033 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.407 7.980 -6.614 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.265 8.400 -9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.951 9.074 -8.005 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.098 6.950 -9.253 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.160 7.120 -7.510 1.00 0.00 H new ATOM 1517 N ARG A 91 2.787 5.699 -10.234 1.00 0.00 N ATOM 1518 CA ARG A 91 1.958 5.403 -11.398 1.00 0.00 C ATOM 1519 C ARG A 91 1.163 4.115 -11.195 1.00 0.00 C ATOM 1520 O ARG A 91 -0.062 4.108 -11.321 1.00 0.00 O ATOM 1521 CB ARG A 91 2.829 5.289 -12.651 1.00 0.00 C ATOM 1522 CG ARG A 91 2.377 6.187 -13.790 1.00 0.00 C ATOM 1523 CD ARG A 91 1.159 5.617 -14.500 1.00 0.00 C ATOM 1524 NE ARG A 91 0.182 6.653 -14.830 1.00 0.00 N ATOM 1525 CZ ARG A 91 -1.072 6.398 -15.198 1.00 0.00 C ATOM 1526 NH1 ARG A 91 -1.503 5.147 -15.288 1.00 0.00 N ATOM 1527 NH2 ARG A 91 -1.896 7.398 -15.479 1.00 0.00 N ATOM 0 H ARG A 91 3.790 5.712 -10.421 1.00 0.00 H new ATOM 0 HA ARG A 91 1.251 6.223 -11.526 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.858 5.536 -12.391 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.826 4.254 -12.992 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.142 7.178 -13.402 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.192 6.309 -14.504 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.475 5.113 -15.413 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.689 4.865 -13.866 1.00 0.00 H new ATOM 0 HE ARG A 91 0.478 7.628 -14.775 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.873 4.374 -15.075 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.465 4.958 -15.570 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.569 8.362 -15.413 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.857 7.203 -15.761 1.00 0.00 H new ATOM 1541 N GLN A 92 1.864 3.033 -10.880 1.00 0.00 N ATOM 1542 CA GLN A 92 1.223 1.739 -10.662 1.00 0.00 C ATOM 1543 C GLN A 92 0.416 1.740 -9.367 1.00 0.00 C ATOM 1544 O GLN A 92 -0.690 1.204 -9.311 1.00 0.00 O ATOM 1545 CB GLN A 92 2.271 0.626 -10.621 1.00 0.00 C ATOM 1546 CG GLN A 92 2.649 0.095 -11.994 1.00 0.00 C ATOM 1547 CD GLN A 92 2.130 -1.308 -12.238 1.00 0.00 C ATOM 1548 OE1 GLN A 92 2.516 -2.253 -11.551 1.00 0.00 O ATOM 1549 NE2 GLN A 92 1.249 -1.449 -13.222 1.00 0.00 N ATOM 0 H GLN A 92 2.878 3.024 -10.769 1.00 0.00 H new ATOM 0 HA GLN A 92 0.542 1.557 -11.493 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.167 1.000 -10.126 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.892 -0.196 -10.014 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.254 0.763 -12.759 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.734 0.100 -12.096 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.958 -0.637 -13.766 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.864 -2.369 -13.434 1.00 0.00 H new ATOM 1558 N PHE A 93 0.981 2.343 -8.328 1.00 0.00 N ATOM 1559 CA PHE A 93 0.324 2.415 -7.028 1.00 0.00 C ATOM 1560 C PHE A 93 -1.034 3.098 -7.141 1.00 0.00 C ATOM 1561 O PHE A 93 -2.049 2.553 -6.709 1.00 0.00 O ATOM 1562 CB PHE A 93 1.208 3.169 -6.031 1.00 0.00 C ATOM 1563 CG PHE A 93 0.622 3.264 -4.650 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.120 2.218 -4.120 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.818 4.399 -3.879 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.655 2.305 -2.849 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.284 4.490 -2.608 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.453 3.442 -2.091 1.00 0.00 C ATOM 0 H PHE A 93 1.897 2.791 -8.361 1.00 0.00 H new ATOM 0 HA PHE A 93 0.168 1.398 -6.669 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.177 2.673 -5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.389 4.175 -6.409 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.281 1.326 -4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.395 5.221 -4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.231 1.484 -2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.443 5.381 -2.018 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.870 3.512 -1.097 1.00 0.00 H new ATOM 1578 N GLU A 94 -1.045 4.289 -7.728 1.00 0.00 N ATOM 1579 CA GLU A 94 -2.285 5.037 -7.897 1.00 0.00 C ATOM 1580 C GLU A 94 -3.147 4.419 -8.995 1.00 0.00 C ATOM 1581 O GLU A 94 -4.361 4.625 -9.029 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.990 6.503 -8.215 1.00 0.00 C ATOM 1583 CG GLU A 94 -2.703 7.475 -7.289 1.00 0.00 C ATOM 1584 CD GLU A 94 -1.831 7.925 -6.135 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -0.803 8.589 -6.389 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -2.175 7.614 -4.975 1.00 0.00 O ATOM 0 H GLU A 94 -0.215 4.755 -8.093 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.838 4.990 -6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.915 6.672 -8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.284 6.711 -9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.023 8.347 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.604 7.003 -6.897 1.00 0.00 H new ATOM 1593 N GLU A 95 -2.521 3.649 -9.883 1.00 0.00 N ATOM 1594 CA GLU A 95 -3.247 2.995 -10.964 1.00 0.00 C ATOM 1595 C GLU A 95 -4.290 2.053 -10.382 1.00 0.00 C ATOM 1596 O GLU A 95 -5.464 2.095 -10.748 1.00 0.00 O ATOM 1597 CB GLU A 95 -2.283 2.218 -11.863 1.00 0.00 C ATOM 1598 CG GLU A 95 -2.255 2.716 -13.299 1.00 0.00 C ATOM 1599 CD GLU A 95 -1.127 2.103 -14.105 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -1.187 0.887 -14.381 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -0.183 2.841 -14.461 1.00 0.00 O ATOM 0 H GLU A 95 -1.518 3.465 -9.874 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.743 3.756 -11.566 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.278 2.282 -11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.564 1.165 -11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.206 2.486 -13.778 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.151 3.801 -13.302 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.844 1.211 -9.458 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.724 0.262 -8.801 1.00 0.00 C ATOM 1610 C ILE A 96 -5.597 0.964 -7.772 1.00 0.00 C ATOM 1611 O ILE A 96 -6.759 0.607 -7.576 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.917 -0.846 -8.110 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.840 -1.379 -9.059 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.838 -1.966 -7.650 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -3.378 -1.804 -10.409 1.00 0.00 C ATOM 0 H ILE A 96 -2.873 1.169 -9.148 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.358 -0.185 -9.567 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.426 -0.430 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.083 -0.609 -9.205 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.344 -2.229 -8.591 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.250 -2.743 -7.162 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.570 -1.569 -6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.355 -2.389 -8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.559 -2.170 -11.028 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.114 -2.597 -10.274 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.849 -0.951 -10.898 1.00 0.00 H new ATOM 1627 N TRP A 97 -5.032 1.978 -7.124 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.756 2.750 -6.122 1.00 0.00 C ATOM 1629 C TRP A 97 -7.072 3.253 -6.705 1.00 0.00 C ATOM 1630 O TRP A 97 -8.107 3.239 -6.040 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.905 3.931 -5.650 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.386 4.546 -4.373 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.849 5.818 -4.198 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.445 3.917 -3.088 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -6.195 6.018 -2.883 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.957 4.865 -2.180 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -5.117 2.643 -2.616 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -6.147 4.578 -0.830 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.305 2.358 -1.277 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.817 3.321 -0.398 1.00 0.00 C ATOM 0 H TRP A 97 -4.071 2.284 -7.276 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.969 2.108 -5.267 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.876 3.596 -5.517 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.894 4.694 -6.429 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.931 6.559 -4.979 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.568 6.884 -2.493 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.723 1.894 -3.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.540 5.319 -0.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.053 1.377 -0.902 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.954 3.067 0.643 1.00 0.00 H new ATOM 1651 N GLU A 98 -7.015 3.685 -7.959 1.00 0.00 N ATOM 1652 CA GLU A 98 -8.194 4.181 -8.657 1.00 0.00 C ATOM 1653 C GLU A 98 -8.964 3.032 -9.299 1.00 0.00 C ATOM 1654 O GLU A 98 -10.180 3.111 -9.479 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.790 5.199 -9.724 1.00 0.00 C ATOM 1656 CG GLU A 98 -8.964 5.968 -10.307 1.00 0.00 C ATOM 1657 CD GLU A 98 -8.557 6.868 -11.458 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -7.750 6.427 -12.301 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -9.047 8.017 -11.513 1.00 0.00 O ATOM 0 H GLU A 98 -6.160 3.702 -8.515 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.841 4.669 -7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.083 5.906 -9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.270 4.681 -10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.720 5.263 -10.652 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.424 6.571 -9.524 1.00 0.00 H new ATOM 1666 N ARG A 99 -8.247 1.966 -9.647 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.858 0.800 -10.275 1.00 0.00 C ATOM 1668 C ARG A 99 -9.977 0.228 -9.409 1.00 0.00 C ATOM 1669 O ARG A 99 -11.049 -0.111 -9.909 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.803 -0.276 -10.538 1.00 0.00 C ATOM 1671 CG ARG A 99 -8.126 -1.165 -11.728 1.00 0.00 C ATOM 1672 CD ARG A 99 -8.153 -2.635 -11.341 1.00 0.00 C ATOM 1673 NE ARG A 99 -8.291 -3.505 -12.507 1.00 0.00 N ATOM 1674 CZ ARG A 99 -8.045 -4.813 -12.489 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -7.649 -5.406 -11.368 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -8.194 -5.531 -13.593 1.00 0.00 N ATOM 0 H ARG A 99 -7.240 1.887 -9.504 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.289 1.120 -11.224 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.839 0.205 -10.705 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.699 -0.897 -9.648 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.093 -0.880 -12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.384 -1.008 -12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.236 -2.886 -10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.981 -2.814 -10.655 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.594 -3.085 -13.386 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.532 -4.859 -10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.462 -6.409 -11.360 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.497 -5.081 -14.457 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.005 -6.533 -13.579 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.722 0.124 -8.108 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.712 -0.407 -7.178 1.00 0.00 C ATOM 1692 C CYS A 100 -11.594 0.708 -6.622 1.00 0.00 C ATOM 1693 O CYS A 100 -12.740 0.873 -7.043 1.00 0.00 O ATOM 1694 CB CYS A 100 -10.020 -1.152 -6.033 1.00 0.00 C ATOM 1695 SG CYS A 100 -11.158 -1.842 -4.808 1.00 0.00 S ATOM 0 H CYS A 100 -8.840 0.400 -7.675 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.347 -1.105 -7.723 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -9.419 -1.960 -6.450 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -9.334 -0.469 -5.532 1.00 0.00 H new ATOM 0 HG CYS A 100 -10.773 -1.497 -3.615 1.00 0.00 H new ATOM 1701 N GLY A 101 -11.056 1.471 -5.676 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.813 2.557 -5.082 1.00 0.00 C ATOM 1703 C GLY A 101 -11.082 3.212 -3.926 1.00 0.00 C ATOM 1704 O GLY A 101 -11.699 3.601 -2.932 1.00 0.00 O ATOM 0 H GLY A 101 -10.111 1.357 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.026 3.307 -5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.773 2.177 -4.732 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.766 3.337 -4.055 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.972 3.952 -3.006 1.00 0.00 C ATOM 1710 C GLY A 102 -9.240 5.435 -2.871 1.00 0.00 C ATOM 1711 O GLY A 102 -9.387 5.948 -1.762 1.00 0.00 O ATOM 0 H GLY A 102 -9.234 3.024 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.185 3.460 -2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.914 3.795 -3.216 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.308 6.124 -4.003 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.565 7.557 -4.007 1.00 0.00 C ATOM 1717 C ILE A 103 -10.916 7.869 -3.377 1.00 0.00 C ATOM 1718 O ILE A 103 -11.058 8.838 -2.633 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.524 8.123 -5.433 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.233 7.669 -6.119 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.634 9.642 -5.403 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -7.866 8.476 -7.339 1.00 0.00 C ATOM 0 H ILE A 103 -9.189 5.713 -4.929 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.779 8.029 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.372 7.745 -6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.415 7.723 -5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.336 6.623 -6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.603 10.029 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.575 9.929 -4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -8.803 10.056 -4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.940 8.090 -7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.664 8.402 -8.078 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.728 9.520 -7.057 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.906 7.032 -3.675 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.246 7.211 -3.130 1.00 0.00 C ATOM 1736 C GLN A 104 -13.218 7.070 -1.612 1.00 0.00 C ATOM 1737 O GLN A 104 -13.798 7.881 -0.891 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.215 6.191 -3.735 1.00 0.00 C ATOM 1739 CG GLN A 104 -14.020 5.968 -5.227 1.00 0.00 C ATOM 1740 CD GLN A 104 -13.947 7.264 -6.011 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -14.910 8.028 -6.061 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -12.799 7.517 -6.630 1.00 0.00 N ATOM 0 H GLN A 104 -11.805 6.225 -4.290 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.592 8.212 -3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -14.097 5.240 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -15.237 6.526 -3.558 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -13.104 5.399 -5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -14.842 5.363 -5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.026 6.855 -6.561 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.691 8.373 -7.174 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.529 6.037 -1.136 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.412 5.792 0.295 1.00 0.00 C ATOM 1753 C TYR A 105 -11.701 6.959 0.972 1.00 0.00 C ATOM 1754 O TYR A 105 -12.035 7.338 2.095 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.647 4.489 0.548 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.385 4.207 2.010 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.407 4.283 2.947 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.114 3.861 2.454 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.171 4.026 4.284 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -9.870 3.601 3.789 1.00 0.00 C ATOM 1761 CZ TYR A 105 -10.901 3.684 4.700 1.00 0.00 C ATOM 1762 OH TYR A 105 -10.662 3.426 6.030 1.00 0.00 O ATOM 0 H TYR A 105 -12.044 5.357 -1.721 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.413 5.698 0.717 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.212 3.659 0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.695 4.530 0.019 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.403 4.548 2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.303 3.794 1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -12.977 4.093 5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.876 3.334 4.117 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.952 2.515 6.244 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.725 7.530 0.272 1.00 0.00 N ATOM 1773 CA LEU A 106 -9.970 8.660 0.797 1.00 0.00 C ATOM 1774 C LEU A 106 -10.833 9.917 0.820 1.00 0.00 C ATOM 1775 O LEU A 106 -10.785 10.697 1.769 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.714 8.896 -0.047 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.404 8.884 0.740 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -6.220 8.655 -0.184 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.239 10.182 1.515 1.00 0.00 C ATOM 0 H LEU A 106 -10.440 7.228 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.669 8.429 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.664 8.130 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.809 9.856 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.440 8.059 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.299 8.651 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.334 7.696 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.177 9.454 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.301 10.158 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.228 11.022 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.070 10.298 2.211 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.626 10.099 -0.230 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.511 11.254 -0.330 1.00 0.00 C ATOM 1793 C GLN A 107 -13.572 11.213 0.764 1.00 0.00 C ATOM 1794 O GLN A 107 -14.047 12.250 1.228 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.177 11.294 -1.708 1.00 0.00 C ATOM 1796 CG GLN A 107 -12.693 12.437 -2.586 1.00 0.00 C ATOM 1797 CD GLN A 107 -12.831 13.788 -1.914 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -11.897 14.277 -1.278 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -14.002 14.402 -2.052 1.00 0.00 N ATOM 0 H GLN A 107 -11.674 9.461 -1.025 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.914 12.157 -0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.990 10.350 -2.220 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.256 11.378 -1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.648 12.271 -2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.259 12.439 -3.517 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.749 13.961 -2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.153 15.315 -1.622 1.00 0.00 H new ATOM 1808 N SER A 108 -13.937 10.002 1.176 1.00 0.00 N ATOM 1809 CA SER A 108 -14.938 9.810 2.220 1.00 0.00 C ATOM 1810 C SER A 108 -14.373 10.204 3.579 1.00 0.00 C ATOM 1811 O SER A 108 -14.982 10.979 4.315 1.00 0.00 O ATOM 1812 CB SER A 108 -15.405 8.353 2.249 1.00 0.00 C ATOM 1813 OG SER A 108 -16.370 8.107 1.241 1.00 0.00 O ATOM 0 H SER A 108 -13.552 9.135 0.800 1.00 0.00 H new ATOM 0 HA SER A 108 -15.793 10.449 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.551 7.691 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.829 8.123 3.227 1.00 0.00 H new ATOM 0 HG SER A 108 -16.651 7.169 1.279 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.194 9.679 3.894 1.00 0.00 N ATOM 1820 CA ALA A 109 -12.534 9.993 5.154 1.00 0.00 C ATOM 1821 C ALA A 109 -12.058 11.436 5.135 1.00 0.00 C ATOM 1822 O ALA A 109 -12.064 12.129 6.153 1.00 0.00 O ATOM 1823 CB ALA A 109 -11.365 9.047 5.389 1.00 0.00 C ATOM 0 H ALA A 109 -12.677 9.035 3.295 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.244 9.866 5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.882 9.294 6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.729 8.020 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.646 9.148 4.576 1.00 0.00 H new ATOM 1829 N ILE A 110 -11.661 11.879 3.948 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.190 13.238 3.745 1.00 0.00 C ATOM 1831 C ILE A 110 -12.253 14.244 4.183 1.00 0.00 C ATOM 1832 O ILE A 110 -11.968 15.180 4.931 1.00 0.00 O ATOM 1833 CB ILE A 110 -10.829 13.458 2.257 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.384 13.038 1.995 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.044 14.904 1.840 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.081 12.786 0.532 1.00 0.00 C ATOM 0 H ILE A 110 -11.657 11.306 3.104 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.298 13.391 4.352 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.494 12.837 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.716 13.814 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.169 12.133 2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.781 15.023 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.090 15.173 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.415 15.555 2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.037 12.492 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.724 11.989 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.264 13.696 -0.039 1.00 0.00 H new ATOM 1848 N GLU A 111 -13.480 14.036 3.716 1.00 0.00 N ATOM 1849 CA GLU A 111 -14.590 14.915 4.062 1.00 0.00 C ATOM 1850 C GLU A 111 -15.009 14.706 5.513 1.00 0.00 C ATOM 1851 O GLU A 111 -15.418 15.647 6.195 1.00 0.00 O ATOM 1852 CB GLU A 111 -15.778 14.661 3.132 1.00 0.00 C ATOM 1853 CG GLU A 111 -15.503 15.029 1.682 1.00 0.00 C ATOM 1854 CD GLU A 111 -16.323 16.217 1.214 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -16.503 17.162 2.008 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -16.784 16.200 0.054 1.00 0.00 O ATOM 0 H GLU A 111 -13.730 13.265 3.096 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.260 15.947 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.052 13.607 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -16.636 15.232 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.443 15.255 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.719 14.170 1.046 1.00 0.00 H new ATOM 1863 N SER A 112 -14.902 13.465 5.978 1.00 0.00 N ATOM 1864 CA SER A 112 -15.266 13.128 7.350 1.00 0.00 C ATOM 1865 C SER A 112 -14.200 13.597 8.338 1.00 0.00 C ATOM 1866 O SER A 112 -14.405 13.547 9.551 1.00 0.00 O ATOM 1867 CB SER A 112 -15.472 11.618 7.486 1.00 0.00 C ATOM 1868 OG SER A 112 -16.066 11.295 8.732 1.00 0.00 O ATOM 0 H SER A 112 -14.566 12.676 5.425 1.00 0.00 H new ATOM 0 HA SER A 112 -16.198 13.643 7.585 1.00 0.00 H new ATOM 0 HB2 SER A 112 -16.105 11.259 6.674 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.514 11.107 7.393 1.00 0.00 H new ATOM 0 HG SER A 112 -15.835 11.982 9.392 1.00 0.00 H new ATOM 1874 N ARG A 113 -13.060 14.050 7.814 1.00 0.00 N ATOM 1875 CA ARG A 113 -11.963 14.524 8.652 1.00 0.00 C ATOM 1876 C ARG A 113 -11.334 13.372 9.428 1.00 0.00 C ATOM 1877 O ARG A 113 -10.778 13.568 10.510 1.00 0.00 O ATOM 1878 CB ARG A 113 -12.448 15.610 9.619 1.00 0.00 C ATOM 1879 CG ARG A 113 -13.036 16.826 8.922 1.00 0.00 C ATOM 1880 CD ARG A 113 -11.949 17.785 8.459 1.00 0.00 C ATOM 1881 NE ARG A 113 -11.588 18.746 9.501 1.00 0.00 N ATOM 1882 CZ ARG A 113 -10.578 18.580 10.355 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -9.813 17.496 10.294 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -10.331 19.505 11.271 1.00 0.00 N ATOM 0 H ARG A 113 -12.874 14.098 6.812 1.00 0.00 H new ATOM 0 HA ARG A 113 -11.205 14.954 7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -13.199 15.184 10.284 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.613 15.928 10.244 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.628 16.504 8.065 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.714 17.343 9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.065 17.218 8.167 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -12.291 18.321 7.574 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.144 19.597 9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.996 16.782 9.589 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.042 17.378 10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -10.913 20.341 11.321 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.559 19.381 11.926 1.00 0.00 H new ATOM 1898 N GLN A 114 -11.421 12.172 8.866 1.00 0.00 N ATOM 1899 CA GLN A 114 -10.856 10.985 9.498 1.00 0.00 C ATOM 1900 C GLN A 114 -9.634 10.491 8.727 1.00 0.00 C ATOM 1901 O GLN A 114 -8.767 9.818 9.285 1.00 0.00 O ATOM 1902 CB GLN A 114 -11.905 9.875 9.580 1.00 0.00 C ATOM 1903 CG GLN A 114 -12.761 9.939 10.835 1.00 0.00 C ATOM 1904 CD GLN A 114 -12.042 9.407 12.059 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -11.532 10.173 12.877 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -11.996 8.085 12.189 1.00 0.00 N ATOM 0 H GLN A 114 -11.878 11.995 7.972 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.545 11.254 10.507 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -12.553 9.933 8.705 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -11.403 8.908 9.541 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -13.060 10.972 11.014 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -13.674 9.366 10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -12.433 7.488 11.487 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -11.524 7.668 12.991 1.00 0.00 H new ATOM 1915 N ALA A 115 -9.571 10.832 7.443 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.457 10.426 6.595 1.00 0.00 C ATOM 1917 C ALA A 115 -7.122 10.900 7.167 1.00 0.00 C ATOM 1918 O ALA A 115 -6.071 10.343 6.852 1.00 0.00 O ATOM 1919 CB ALA A 115 -8.651 10.964 5.184 1.00 0.00 C ATOM 0 H ALA A 115 -10.280 11.390 6.967 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.436 9.337 6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.813 10.655 4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.579 10.570 4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.700 12.053 5.213 1.00 0.00 H new ATOM 1925 N ARG A 116 -7.173 11.929 8.011 1.00 0.00 N ATOM 1926 CA ARG A 116 -5.970 12.476 8.635 1.00 0.00 C ATOM 1927 C ARG A 116 -5.068 13.152 7.604 1.00 0.00 C ATOM 1928 O ARG A 116 -4.225 12.502 6.986 1.00 0.00 O ATOM 1929 CB ARG A 116 -5.197 11.374 9.364 1.00 0.00 C ATOM 1930 CG ARG A 116 -3.968 11.877 10.104 1.00 0.00 C ATOM 1931 CD ARG A 116 -3.292 10.758 10.880 1.00 0.00 C ATOM 1932 NE ARG A 116 -1.979 11.154 11.384 1.00 0.00 N ATOM 1933 CZ ARG A 116 -1.215 10.381 12.152 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -1.631 9.170 12.508 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -0.035 10.817 12.566 1.00 0.00 N ATOM 0 H ARG A 116 -8.036 12.401 8.279 1.00 0.00 H new ATOM 0 HA ARG A 116 -6.285 13.229 9.358 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.863 10.884 10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.891 10.618 8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -3.263 12.306 9.392 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.255 12.675 10.789 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -3.926 10.462 11.716 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -3.185 9.885 10.237 1.00 0.00 H new ATOM 0 HE ARG A 116 -1.627 12.078 11.132 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -2.539 8.830 12.192 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.042 8.581 13.097 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.289 11.746 12.296 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.550 10.224 13.155 1.00 0.00 H new ATOM 1949 N PRO A 117 -5.227 14.475 7.413 1.00 0.00 N ATOM 1950 CA PRO A 117 -4.416 15.247 6.460 1.00 0.00 C ATOM 1951 C PRO A 117 -2.926 14.935 6.581 1.00 0.00 C ATOM 1952 O PRO A 117 -2.210 15.567 7.359 1.00 0.00 O ATOM 1953 CB PRO A 117 -4.695 16.693 6.873 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.074 16.659 7.431 1.00 0.00 C ATOM 1955 CD PRO A 117 -6.206 15.328 8.119 1.00 0.00 C ATOM 0 HA PRO A 117 -4.667 15.022 5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -3.975 17.041 7.614 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.628 17.370 6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.232 17.479 8.132 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.818 16.766 6.642 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.980 15.402 9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.218 14.931 8.035 1.00 0.00 H new ATOM 1963 N THR A 118 -2.464 13.952 5.811 1.00 0.00 N ATOM 1964 CA THR A 118 -1.060 13.554 5.839 1.00 0.00 C ATOM 1965 C THR A 118 -0.374 13.857 4.509 1.00 0.00 C ATOM 1966 O THR A 118 0.555 14.663 4.450 1.00 0.00 O ATOM 1967 CB THR A 118 -0.939 12.063 6.162 1.00 0.00 C ATOM 1968 OG1 THR A 118 -2.124 11.375 5.803 1.00 0.00 O ATOM 1969 CG2 THR A 118 -0.673 11.786 7.626 1.00 0.00 C ATOM 0 H THR A 118 -3.041 13.418 5.161 1.00 0.00 H new ATOM 0 HA THR A 118 -0.563 14.131 6.618 1.00 0.00 H new ATOM 0 HB THR A 118 -0.086 11.711 5.582 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.843 11.617 6.423 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.599 10.710 7.785 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.262 12.262 7.922 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.490 12.186 8.226 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.833 13.204 3.446 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.261 13.408 2.119 1.00 0.00 C ATOM 1979 C TYR A 119 -1.210 12.917 1.033 1.00 0.00 C ATOM 1980 O TYR A 119 -1.574 13.668 0.127 1.00 0.00 O ATOM 1981 CB TYR A 119 1.083 12.683 2.001 1.00 0.00 C ATOM 1982 CG TYR A 119 1.778 12.905 0.675 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.279 12.347 -0.496 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.931 13.675 0.595 1.00 0.00 C ATOM 1985 CE1 TYR A 119 1.911 12.549 -1.709 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.569 13.882 -0.615 1.00 0.00 C ATOM 1987 CZ TYR A 119 3.055 13.317 -1.762 1.00 0.00 C ATOM 1988 OH TYR A 119 3.687 13.521 -2.968 1.00 0.00 O ATOM 0 H TYR A 119 -1.598 12.530 3.477 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.104 14.478 1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.738 13.017 2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.923 11.614 2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.383 11.746 -0.458 1.00 0.00 H new ATOM 0 HD2 TYR A 119 3.336 14.119 1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.511 12.108 -2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.465 14.483 -0.660 1.00 0.00 H new ATOM 0 HH TYR A 119 4.477 14.085 -2.832 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.606 11.650 1.123 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.509 11.059 0.143 1.00 0.00 C ATOM 2000 C ALA A 120 -3.776 11.892 -0.011 1.00 0.00 C ATOM 2001 O ALA A 120 -4.381 11.927 -1.081 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.863 9.634 0.536 1.00 0.00 C ATOM 0 H ALA A 120 -1.315 11.014 1.865 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.994 11.042 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.538 9.209 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.954 9.034 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.351 9.636 1.511 1.00 0.00 H new ATOM 2008 N THR A 121 -4.174 12.561 1.064 1.00 0.00 N ATOM 2009 CA THR A 121 -5.370 13.392 1.042 1.00 0.00 C ATOM 2010 C THR A 121 -5.151 14.631 0.181 1.00 0.00 C ATOM 2011 O THR A 121 -6.053 15.067 -0.536 1.00 0.00 O ATOM 2012 CB THR A 121 -5.757 13.799 2.464 1.00 0.00 C ATOM 2013 OG1 THR A 121 -4.637 14.311 3.163 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.320 12.650 3.274 1.00 0.00 C ATOM 0 H THR A 121 -3.687 12.544 1.960 1.00 0.00 H new ATOM 0 HA THR A 121 -6.183 12.811 0.607 1.00 0.00 H new ATOM 0 HB THR A 121 -6.529 14.560 2.351 1.00 0.00 H new ATOM 0 HG1 THR A 121 -4.668 15.290 3.159 1.00 0.00 H new ATOM 0 HG21 THR A 121 -6.576 13.001 4.274 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.214 12.264 2.785 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.575 11.857 3.347 1.00 0.00 H new ATOM 2022 N ALA A 122 -3.947 15.190 0.249 1.00 0.00 N ATOM 2023 CA ALA A 122 -3.612 16.372 -0.534 1.00 0.00 C ATOM 2024 C ALA A 122 -3.554 16.036 -2.018 1.00 0.00 C ATOM 2025 O ALA A 122 -4.225 16.665 -2.838 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.287 16.958 -0.067 1.00 0.00 C ATOM 0 H ALA A 122 -3.189 14.844 0.837 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.393 17.117 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.050 17.840 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.363 17.238 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.498 16.216 -0.189 1.00 0.00 H new ATOM 2032 N MET A 123 -2.754 15.031 -2.354 1.00 0.00 N ATOM 2033 CA MET A 123 -2.613 14.599 -3.737 1.00 0.00 C ATOM 2034 C MET A 123 -3.968 14.197 -4.314 1.00 0.00 C ATOM 2035 O MET A 123 -4.205 14.339 -5.513 1.00 0.00 O ATOM 2036 CB MET A 123 -1.610 13.445 -3.843 1.00 0.00 C ATOM 2037 CG MET A 123 -1.926 12.272 -2.931 1.00 0.00 C ATOM 2038 SD MET A 123 -2.296 10.764 -3.844 1.00 0.00 S ATOM 2039 CE MET A 123 -3.502 11.376 -5.015 1.00 0.00 C ATOM 0 H MET A 123 -2.194 14.501 -1.687 1.00 0.00 H new ATOM 0 HA MET A 123 -2.229 15.435 -4.322 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.582 13.094 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 123 -0.614 13.819 -3.607 1.00 0.00 H new ATOM 0 HG2 MET A 123 -1.079 12.093 -2.269 1.00 0.00 H new ATOM 0 HG3 MET A 123 -2.776 12.527 -2.299 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.766 10.582 -5.713 1.00 0.00 H new ATOM 0 HE2 MET A 123 -4.395 11.702 -4.481 1.00 0.00 H new ATOM 0 HE3 MET A 123 -3.081 12.218 -5.565 1.00 0.00 H new ATOM 2049 N LEU A 124 -4.860 13.713 -3.452 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.195 13.317 -3.889 1.00 0.00 C ATOM 2051 C LEU A 124 -6.988 14.537 -4.337 1.00 0.00 C ATOM 2052 O LEU A 124 -7.565 14.556 -5.425 1.00 0.00 O ATOM 2053 CB LEU A 124 -6.944 12.597 -2.765 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.763 11.381 -3.208 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.092 10.089 -2.766 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.184 11.464 -2.663 1.00 0.00 C ATOM 0 H LEU A 124 -4.684 13.587 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.086 12.632 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.221 12.276 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.612 13.309 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.813 11.382 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.691 9.238 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.099 10.024 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.005 10.077 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.750 10.591 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.155 11.492 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.665 12.368 -3.036 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.001 15.560 -3.488 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.715 16.796 -3.787 1.00 0.00 C ATOM 2070 C GLN A 125 -7.284 17.351 -5.139 1.00 0.00 C ATOM 2071 O GLN A 125 -8.110 17.810 -5.927 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.468 17.832 -2.690 1.00 0.00 C ATOM 2073 CG GLN A 125 -7.981 17.403 -1.324 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.460 17.684 -1.144 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -9.886 18.838 -1.117 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -10.252 16.625 -1.018 1.00 0.00 N ATOM 0 H GLN A 125 -6.524 15.557 -2.586 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.781 16.574 -3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.398 18.029 -2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.948 18.769 -2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.798 16.337 -1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.419 17.923 -0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.856 15.686 -1.046 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.256 16.751 -0.893 1.00 0.00 H new ATOM 2085 N ASN A 126 -5.983 17.294 -5.403 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.443 17.780 -6.666 1.00 0.00 C ATOM 2087 C ASN A 126 -5.624 16.734 -7.758 1.00 0.00 C ATOM 2088 O ASN A 126 -5.805 17.067 -8.929 1.00 0.00 O ATOM 2089 CB ASN A 126 -3.961 18.133 -6.514 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.747 19.386 -5.688 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -3.984 20.499 -6.155 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -3.296 19.207 -4.452 1.00 0.00 N ATOM 0 H ASN A 126 -5.285 16.917 -4.761 1.00 0.00 H new ATOM 0 HA ASN A 126 -5.988 18.680 -6.950 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.438 17.299 -6.046 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.520 18.272 -7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -3.132 20.012 -3.847 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -3.113 18.265 -4.107 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.593 15.468 -7.362 1.00 0.00 N ATOM 2100 CA LEU A 127 -5.772 14.369 -8.294 1.00 0.00 C ATOM 2101 C LEU A 127 -7.218 14.312 -8.784 1.00 0.00 C ATOM 2102 O LEU A 127 -7.532 13.601 -9.740 1.00 0.00 O ATOM 2103 CB LEU A 127 -5.380 13.053 -7.614 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.939 11.788 -8.259 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -4.960 10.635 -8.101 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -7.287 11.435 -7.646 1.00 0.00 C ATOM 0 H LEU A 127 -5.444 15.179 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.129 14.527 -9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.292 12.982 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -5.712 13.088 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 127 -6.082 11.973 -9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -5.374 9.740 -8.566 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.016 10.891 -8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.788 10.446 -7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -7.674 10.531 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -7.167 11.266 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.986 12.256 -7.807 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.097 15.066 -8.125 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.506 15.100 -8.495 1.00 0.00 C ATOM 2120 C LEU A 128 -9.791 16.214 -9.501 1.00 0.00 C ATOM 2121 O LEU A 128 -10.879 16.279 -10.073 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.377 15.288 -7.249 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.360 14.116 -6.267 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -10.555 14.612 -4.842 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -11.433 13.100 -6.631 1.00 0.00 C ATOM 0 H LEU A 128 -7.855 15.661 -7.332 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.750 14.147 -8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -10.048 16.186 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.405 15.463 -7.566 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.388 13.627 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -10.540 13.765 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -9.751 15.302 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -11.513 15.126 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -11.406 12.273 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -12.413 13.577 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -11.250 12.722 -7.637 1.00 0.00 H new