USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 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 29 TYR OH : rot 30:sc= 0.432 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -2.63 K(o=-2.2,f=-3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.019 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.943 K(o=0.94,f=-0.014) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.8 X(o=-1.8,f=-2.2) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -50:sc= -3.38! USER MOD Single : A 42 MET CE :methyl -143:sc= -0.0217 (180deg=-0.294) USER MOD Single : A 43 LYS NZ :NH3+ -127:sc= 0.158 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -137:sc=0.000347 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.62 K(o=-2.6,f=-7.4!) USER MOD Single : A 63 CYS SG : rot 170:sc= -0.745 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 150:sc= 0 USER MOD Single : A 74 THR OG1 : rot -13:sc= 0.704 USER MOD Single : A 79 ASN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot -114:sc= -1.59 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 8 -3.025 12.517 -9.659 1.00 0.00 N ATOM 152 CA GLU A 8 -2.365 11.293 -9.222 1.00 0.00 C ATOM 153 C GLU A 8 -0.856 11.497 -9.113 1.00 0.00 C ATOM 154 O GLU A 8 -0.074 10.601 -9.431 1.00 0.00 O ATOM 155 CB GLU A 8 -2.667 10.150 -10.194 1.00 0.00 C ATOM 156 CG GLU A 8 -4.127 10.072 -10.607 1.00 0.00 C ATOM 157 CD GLU A 8 -4.430 8.850 -11.451 1.00 0.00 C ATOM 158 OE1 GLU A 8 -4.030 7.737 -11.048 1.00 0.00 O ATOM 159 OE2 GLU A 8 -5.067 9.005 -12.514 1.00 0.00 O ATOM 0 HA GLU A 8 -2.751 11.034 -8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.052 10.271 -11.086 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.378 9.206 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.753 10.057 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.391 10.970 -11.166 1.00 0.00 H new ATOM 166 N ILE A 9 -0.457 12.681 -8.663 1.00 0.00 N ATOM 167 CA ILE A 9 0.957 13.003 -8.512 1.00 0.00 C ATOM 168 C ILE A 9 1.549 12.316 -7.286 1.00 0.00 C ATOM 169 O ILE A 9 2.510 11.554 -7.391 1.00 0.00 O ATOM 170 CB ILE A 9 1.179 14.522 -8.391 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.515 15.251 -9.562 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.666 14.838 -8.339 1.00 0.00 C ATOM 173 CD1 ILE A 9 0.581 16.758 -9.451 1.00 0.00 C ATOM 0 H ILE A 9 -1.092 13.433 -8.397 1.00 0.00 H new ATOM 0 HA ILE A 9 1.460 12.640 -9.408 1.00 0.00 H new ATOM 0 HB ILE A 9 0.721 14.868 -7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.994 14.942 -10.491 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.529 14.945 -9.625 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.806 15.916 -8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.113 14.344 -7.476 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.146 14.481 -9.250 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.091 17.208 -10.314 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.076 17.078 -8.540 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.623 17.075 -9.419 1.00 0.00 H new ATOM 185 N GLY A 10 0.967 12.588 -6.122 1.00 0.00 N ATOM 186 CA GLY A 10 1.449 11.987 -4.892 1.00 0.00 C ATOM 187 C GLY A 10 0.806 10.643 -4.613 1.00 0.00 C ATOM 188 O GLY A 10 0.855 10.144 -3.489 1.00 0.00 O ATOM 0 H GLY A 10 0.170 13.214 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.530 11.864 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.250 12.662 -4.059 1.00 0.00 H new ATOM 192 N LYS A 11 0.198 10.055 -5.639 1.00 0.00 N ATOM 193 CA LYS A 11 -0.458 8.761 -5.500 1.00 0.00 C ATOM 194 C LYS A 11 0.464 7.632 -5.947 1.00 0.00 C ATOM 195 O LYS A 11 1.229 7.782 -6.901 1.00 0.00 O ATOM 196 CB LYS A 11 -1.752 8.732 -6.318 1.00 0.00 C ATOM 197 CG LYS A 11 -2.675 7.582 -5.954 1.00 0.00 C ATOM 198 CD LYS A 11 -4.034 7.727 -6.619 1.00 0.00 C ATOM 199 CE LYS A 11 -4.887 8.776 -5.921 1.00 0.00 C ATOM 200 NZ LYS A 11 -6.341 8.486 -6.054 1.00 0.00 N ATOM 0 H LYS A 11 0.146 10.455 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.697 8.614 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.284 9.673 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.501 8.665 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.220 6.639 -6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.800 7.543 -4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.901 8.002 -7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.551 6.768 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.620 8.817 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.672 9.758 -6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.888 9.223 -5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.601 8.472 -7.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.551 7.560 -5.629 1.00 0.00 H new ATOM 214 N LEU A 12 0.387 6.501 -5.254 1.00 0.00 N ATOM 215 CA LEU A 12 1.215 5.345 -5.582 1.00 0.00 C ATOM 216 C LEU A 12 0.357 4.098 -5.770 1.00 0.00 C ATOM 217 O LEU A 12 -0.216 3.575 -4.814 1.00 0.00 O ATOM 218 CB LEU A 12 2.249 5.105 -4.480 1.00 0.00 C ATOM 219 CG LEU A 12 3.456 4.251 -4.868 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.286 4.951 -5.933 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.306 3.943 -3.644 1.00 0.00 C ATOM 0 H LEU A 12 -0.240 6.360 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 12 1.733 5.553 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.610 6.072 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.748 4.629 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 12 3.093 3.310 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.141 4.328 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.674 5.120 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.639 5.908 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.161 3.334 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.659 4.875 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.708 3.399 -2.913 1.00 0.00 H new ATOM 233 N PHE A 13 0.276 3.624 -7.009 1.00 0.00 N ATOM 234 CA PHE A 13 -0.510 2.437 -7.324 1.00 0.00 C ATOM 235 C PHE A 13 0.321 1.170 -7.143 1.00 0.00 C ATOM 236 O PHE A 13 1.203 0.872 -7.949 1.00 0.00 O ATOM 237 CB PHE A 13 -1.038 2.513 -8.758 1.00 0.00 C ATOM 238 CG PHE A 13 -1.221 1.169 -9.402 1.00 0.00 C ATOM 239 CD1 PHE A 13 -1.689 0.092 -8.667 1.00 0.00 C ATOM 240 CD2 PHE A 13 -0.924 0.983 -10.743 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.858 -1.147 -9.257 1.00 0.00 C ATOM 242 CE2 PHE A 13 -1.092 -0.253 -11.338 1.00 0.00 C ATOM 243 CZ PHE A 13 -1.559 -1.320 -10.594 1.00 0.00 C ATOM 0 H PHE A 13 0.745 4.044 -7.811 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.354 2.399 -6.635 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.992 3.040 -8.758 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.348 3.104 -9.360 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.925 0.222 -7.621 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.557 1.813 -11.329 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.223 -1.979 -8.673 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.858 -0.385 -12.384 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.690 -2.287 -11.057 1.00 0.00 H new ATOM 253 N VAL A 14 0.035 0.428 -6.078 1.00 0.00 N ATOM 254 CA VAL A 14 0.755 -0.807 -5.790 1.00 0.00 C ATOM 255 C VAL A 14 0.136 -1.988 -6.528 1.00 0.00 C ATOM 256 O VAL A 14 -1.050 -2.278 -6.374 1.00 0.00 O ATOM 257 CB VAL A 14 0.769 -1.109 -4.280 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.695 -2.277 -3.978 1.00 0.00 C ATOM 259 CG2 VAL A 14 1.180 0.126 -3.493 1.00 0.00 C ATOM 0 H VAL A 14 -0.691 0.661 -5.400 1.00 0.00 H new ATOM 0 HA VAL A 14 1.780 -0.664 -6.134 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.239 -1.387 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.692 -2.476 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.350 -3.162 -4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.707 -2.031 -4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.184 -0.106 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.178 0.438 -3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.472 0.932 -3.686 1.00 0.00 H new ATOM 269 N GLY A 15 0.949 -2.669 -7.331 1.00 0.00 N ATOM 270 CA GLY A 15 0.463 -3.812 -8.082 1.00 0.00 C ATOM 271 C GLY A 15 1.134 -5.106 -7.665 1.00 0.00 C ATOM 272 O GLY A 15 2.258 -5.391 -8.074 1.00 0.00 O ATOM 0 H GLY A 15 1.935 -2.449 -7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.614 -3.903 -7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.634 -3.644 -9.145 1.00 0.00 H new ATOM 276 N GLY A 16 0.442 -5.892 -6.846 1.00 0.00 N ATOM 277 CA GLY A 16 0.994 -7.153 -6.385 1.00 0.00 C ATOM 278 C GLY A 16 0.824 -7.349 -4.892 1.00 0.00 C ATOM 279 O GLY A 16 1.766 -7.735 -4.198 1.00 0.00 O ATOM 0 H GLY A 16 -0.491 -5.678 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.509 -7.973 -6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.054 -7.195 -6.635 1.00 0.00 H new ATOM 283 N LEU A 17 -0.378 -7.080 -4.394 1.00 0.00 N ATOM 284 CA LEU A 17 -0.668 -7.228 -2.972 1.00 0.00 C ATOM 285 C LEU A 17 -1.037 -8.669 -2.638 1.00 0.00 C ATOM 286 O LEU A 17 -1.106 -9.524 -3.522 1.00 0.00 O ATOM 287 CB LEU A 17 -1.805 -6.290 -2.563 1.00 0.00 C ATOM 288 CG LEU A 17 -1.457 -4.802 -2.496 1.00 0.00 C ATOM 289 CD1 LEU A 17 -0.863 -4.454 -1.140 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.494 -4.429 -3.613 1.00 0.00 C ATOM 0 H LEU A 17 -1.168 -6.758 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 17 0.231 -6.965 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.627 -6.419 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.172 -6.601 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.374 -4.227 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.621 -3.392 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.585 -4.684 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.044 -5.037 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.257 -3.367 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.422 -5.011 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.956 -4.641 -4.577 1.00 0.00 H new ATOM 302 N ASP A 18 -1.276 -8.932 -1.358 1.00 0.00 N ATOM 303 CA ASP A 18 -1.642 -10.270 -0.907 1.00 0.00 C ATOM 304 C ASP A 18 -3.002 -10.257 -0.216 1.00 0.00 C ATOM 305 O ASP A 18 -3.330 -9.321 0.513 1.00 0.00 O ATOM 306 CB ASP A 18 -0.578 -10.820 0.044 1.00 0.00 C ATOM 307 CG ASP A 18 -0.646 -12.328 0.178 1.00 0.00 C ATOM 308 OD1 ASP A 18 -1.748 -12.851 0.442 1.00 0.00 O ATOM 309 OD2 ASP A 18 0.404 -12.986 0.020 1.00 0.00 O ATOM 0 H ASP A 18 -1.223 -8.236 -0.614 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.705 -10.917 -1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.410 -10.534 -0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.703 -10.365 1.027 1.00 0.00 H new ATOM 314 N TRP A 19 -3.789 -11.300 -0.452 1.00 0.00 N ATOM 315 CA TRP A 19 -5.115 -11.408 0.147 1.00 0.00 C ATOM 316 C TRP A 19 -5.065 -11.097 1.638 1.00 0.00 C ATOM 317 O TRP A 19 -6.013 -10.547 2.199 1.00 0.00 O ATOM 318 CB TRP A 19 -5.685 -12.810 -0.076 1.00 0.00 C ATOM 319 CG TRP A 19 -4.774 -13.903 0.395 1.00 0.00 C ATOM 320 CD1 TRP A 19 -3.919 -14.644 -0.370 1.00 0.00 C ATOM 321 CD2 TRP A 19 -4.629 -14.379 1.738 1.00 0.00 C ATOM 322 NE1 TRP A 19 -3.251 -15.552 0.416 1.00 0.00 N ATOM 323 CE2 TRP A 19 -3.668 -15.409 1.713 1.00 0.00 C ATOM 324 CE3 TRP A 19 -5.215 -14.034 2.958 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -3.284 -16.096 2.862 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -4.833 -14.717 4.097 1.00 0.00 C ATOM 327 CH2 TRP A 19 -3.874 -15.737 4.043 1.00 0.00 C ATOM 0 H TRP A 19 -3.533 -12.083 -1.053 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.765 -10.678 -0.335 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.640 -12.893 0.444 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.887 -12.948 -1.138 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.787 -14.533 -1.436 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.557 -16.223 0.087 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.953 -13.248 3.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.547 -16.884 2.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -5.282 -14.460 5.045 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -3.595 -16.250 4.952 1.00 0.00 H new ATOM 338 N SER A 20 -3.954 -11.452 2.276 1.00 0.00 N ATOM 339 CA SER A 20 -3.783 -11.214 3.704 1.00 0.00 C ATOM 340 C SER A 20 -3.430 -9.754 3.973 1.00 0.00 C ATOM 341 O SER A 20 -3.974 -9.128 4.883 1.00 0.00 O ATOM 342 CB SER A 20 -2.693 -12.126 4.268 1.00 0.00 C ATOM 343 OG SER A 20 -1.445 -11.875 3.644 1.00 0.00 O ATOM 0 H SER A 20 -3.159 -11.906 1.826 1.00 0.00 H new ATOM 0 HA SER A 20 -4.727 -11.439 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.604 -11.970 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.974 -13.169 4.120 1.00 0.00 H new ATOM 0 HG SER A 20 -0.764 -12.470 4.023 1.00 0.00 H new ATOM 349 N THR A 21 -2.515 -9.216 3.173 1.00 0.00 N ATOM 350 CA THR A 21 -2.087 -7.831 3.323 1.00 0.00 C ATOM 351 C THR A 21 -3.259 -6.931 3.698 1.00 0.00 C ATOM 352 O THR A 21 -4.366 -7.089 3.183 1.00 0.00 O ATOM 353 CB THR A 21 -1.440 -7.300 2.030 1.00 0.00 C ATOM 354 OG1 THR A 21 -0.218 -8.000 1.770 1.00 0.00 O ATOM 355 CG2 THR A 21 -1.161 -5.808 2.138 1.00 0.00 C ATOM 0 H THR A 21 -2.056 -9.719 2.414 1.00 0.00 H new ATOM 0 HA THR A 21 -1.348 -7.813 4.124 1.00 0.00 H new ATOM 0 HB THR A 21 -2.136 -7.466 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.186 -7.657 0.946 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.704 -5.455 1.213 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.096 -5.274 2.307 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.482 -5.624 2.971 1.00 0.00 H new ATOM 363 N THR A 22 -3.009 -5.986 4.599 1.00 0.00 N ATOM 364 CA THR A 22 -4.044 -5.061 5.043 1.00 0.00 C ATOM 365 C THR A 22 -3.620 -3.614 4.821 1.00 0.00 C ATOM 366 O THR A 22 -2.445 -3.331 4.587 1.00 0.00 O ATOM 367 CB THR A 22 -4.375 -5.263 6.534 1.00 0.00 C ATOM 368 OG1 THR A 22 -3.258 -4.877 7.341 1.00 0.00 O ATOM 369 CG2 THR A 22 -4.734 -6.714 6.816 1.00 0.00 C ATOM 0 H THR A 22 -2.099 -5.841 5.035 1.00 0.00 H new ATOM 0 HA THR A 22 -4.933 -5.272 4.448 1.00 0.00 H new ATOM 0 HB THR A 22 -5.233 -4.638 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.478 -5.007 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.964 -6.833 7.875 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.603 -6.996 6.222 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.892 -7.355 6.553 1.00 0.00 H new ATOM 377 N GLN A 23 -4.583 -2.701 4.895 1.00 0.00 N ATOM 378 CA GLN A 23 -4.308 -1.283 4.701 1.00 0.00 C ATOM 379 C GLN A 23 -3.404 -0.748 5.807 1.00 0.00 C ATOM 380 O GLN A 23 -2.569 0.124 5.570 1.00 0.00 O ATOM 381 CB GLN A 23 -5.615 -0.489 4.665 1.00 0.00 C ATOM 382 CG GLN A 23 -6.294 -0.494 3.305 1.00 0.00 C ATOM 383 CD GLN A 23 -7.754 -0.094 3.380 1.00 0.00 C ATOM 384 OE1 GLN A 23 -8.629 -0.931 3.604 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.026 1.192 3.192 1.00 0.00 N ATOM 0 H GLN A 23 -5.561 -2.918 5.088 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.793 -1.165 3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.301 -0.901 5.405 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.412 0.542 4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.768 0.189 2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.216 -1.489 2.868 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.270 1.852 3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.991 1.520 3.231 1.00 0.00 H new ATOM 394 N GLU A 24 -3.578 -1.275 7.014 1.00 0.00 N ATOM 395 CA GLU A 24 -2.778 -0.849 8.156 1.00 0.00 C ATOM 396 C GLU A 24 -1.294 -1.098 7.904 1.00 0.00 C ATOM 397 O GLU A 24 -0.499 -0.160 7.827 1.00 0.00 O ATOM 398 CB GLU A 24 -3.222 -1.585 9.422 1.00 0.00 C ATOM 399 CG GLU A 24 -4.361 -0.899 10.158 1.00 0.00 C ATOM 400 CD GLU A 24 -5.063 -1.820 11.136 1.00 0.00 C ATOM 401 OE1 GLU A 24 -5.890 -2.642 10.687 1.00 0.00 O ATOM 402 OE2 GLU A 24 -4.787 -1.720 12.350 1.00 0.00 O ATOM 0 H GLU A 24 -4.266 -1.998 7.227 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.931 0.221 8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.530 -2.596 9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.370 -1.679 10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.972 -0.034 10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.084 -0.526 9.433 1.00 0.00 H new ATOM 409 N THR A 25 -0.926 -2.369 7.777 1.00 0.00 N ATOM 410 CA THR A 25 0.461 -2.743 7.535 1.00 0.00 C ATOM 411 C THR A 25 1.009 -2.050 6.293 1.00 0.00 C ATOM 412 O THR A 25 2.183 -1.678 6.243 1.00 0.00 O ATOM 413 CB THR A 25 0.612 -4.267 7.367 1.00 0.00 C ATOM 414 OG1 THR A 25 0.281 -4.930 8.593 1.00 0.00 O ATOM 415 CG2 THR A 25 2.031 -4.628 6.957 1.00 0.00 C ATOM 0 H THR A 25 -1.570 -3.157 7.838 1.00 0.00 H new ATOM 0 HA THR A 25 1.030 -2.423 8.408 1.00 0.00 H new ATOM 0 HB THR A 25 -0.070 -4.593 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.378 -5.898 8.478 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.113 -5.709 6.844 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.270 -4.145 6.009 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.728 -4.289 7.723 1.00 0.00 H new ATOM 423 N LEU A 26 0.154 -1.878 5.292 1.00 0.00 N ATOM 424 CA LEU A 26 0.552 -1.228 4.048 1.00 0.00 C ATOM 425 C LEU A 26 0.949 0.224 4.295 1.00 0.00 C ATOM 426 O LEU A 26 1.949 0.704 3.761 1.00 0.00 O ATOM 427 CB LEU A 26 -0.587 -1.290 3.029 1.00 0.00 C ATOM 428 CG LEU A 26 -0.221 -0.926 1.590 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.968 -1.749 1.117 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.414 -1.131 0.668 1.00 0.00 C ATOM 0 H LEU A 26 -0.820 -2.180 5.317 1.00 0.00 H new ATOM 0 HA LEU A 26 1.416 -1.760 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.997 -2.300 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.381 -0.621 3.361 1.00 0.00 H new ATOM 0 HG LEU A 26 0.058 0.127 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.214 -1.476 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.826 -1.552 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.717 -2.809 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.135 -0.867 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.724 -2.176 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.239 -0.498 0.994 1.00 0.00 H new ATOM 442 N ARG A 27 0.161 0.917 5.111 1.00 0.00 N ATOM 443 CA ARG A 27 0.431 2.314 5.430 1.00 0.00 C ATOM 444 C ARG A 27 1.857 2.488 5.945 1.00 0.00 C ATOM 445 O ARG A 27 2.633 3.272 5.399 1.00 0.00 O ATOM 446 CB ARG A 27 -0.565 2.822 6.474 1.00 0.00 C ATOM 447 CG ARG A 27 -1.963 3.051 5.921 1.00 0.00 C ATOM 448 CD ARG A 27 -3.014 2.979 7.018 1.00 0.00 C ATOM 449 NE ARG A 27 -3.233 4.275 7.652 1.00 0.00 N ATOM 450 CZ ARG A 27 -3.694 5.341 7.007 1.00 0.00 C ATOM 451 NH1 ARG A 27 -3.983 5.264 5.715 1.00 0.00 N ATOM 452 NH2 ARG A 27 -3.867 6.487 7.654 1.00 0.00 N ATOM 0 H ARG A 27 -0.669 0.534 5.563 1.00 0.00 H new ATOM 0 HA ARG A 27 0.319 2.898 4.516 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.620 2.103 7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.192 3.756 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.008 4.026 5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.180 2.304 5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.953 2.618 6.598 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.703 2.255 7.771 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.020 4.368 8.645 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.851 4.385 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.337 6.084 5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.646 6.550 8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.221 7.305 7.157 1.00 0.00 H new ATOM 466 N SER A 28 2.194 1.752 6.999 1.00 0.00 N ATOM 467 CA SER A 28 3.525 1.828 7.591 1.00 0.00 C ATOM 468 C SER A 28 4.595 1.454 6.570 1.00 0.00 C ATOM 469 O SER A 28 5.480 2.253 6.261 1.00 0.00 O ATOM 470 CB SER A 28 3.619 0.904 8.807 1.00 0.00 C ATOM 471 OG SER A 28 3.169 1.559 9.980 1.00 0.00 O ATOM 0 H SER A 28 1.564 1.096 7.461 1.00 0.00 H new ATOM 0 HA SER A 28 3.696 2.856 7.911 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.022 0.009 8.635 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.650 0.578 8.941 1.00 0.00 H new ATOM 0 HG SER A 28 3.237 0.947 10.743 1.00 0.00 H new ATOM 477 N TYR A 29 4.507 0.235 6.050 1.00 0.00 N ATOM 478 CA TYR A 29 5.469 -0.247 5.066 1.00 0.00 C ATOM 479 C TYR A 29 5.898 0.877 4.127 1.00 0.00 C ATOM 480 O TYR A 29 7.079 1.021 3.811 1.00 0.00 O ATOM 481 CB TYR A 29 4.870 -1.400 4.259 1.00 0.00 C ATOM 482 CG TYR A 29 5.832 -2.005 3.261 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.834 -2.875 3.672 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.738 -1.707 1.907 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.715 -3.429 2.764 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.614 -2.257 0.992 1.00 0.00 C ATOM 487 CZ TYR A 29 7.601 -3.118 1.425 1.00 0.00 C ATOM 488 OH TYR A 29 8.476 -3.669 0.517 1.00 0.00 O ATOM 0 H TYR A 29 3.780 -0.437 6.293 1.00 0.00 H new ATOM 0 HA TYR A 29 6.349 -0.605 5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.535 -2.178 4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.988 -1.041 3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.926 -3.122 4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.966 -1.034 1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.489 -4.102 3.101 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.527 -2.014 -0.057 1.00 0.00 H new ATOM 0 HH TYR A 29 8.767 -4.549 0.835 1.00 0.00 H new ATOM 498 N PHE A 30 4.929 1.671 3.684 1.00 0.00 N ATOM 499 CA PHE A 30 5.204 2.782 2.781 1.00 0.00 C ATOM 500 C PHE A 30 5.519 4.054 3.564 1.00 0.00 C ATOM 501 O PHE A 30 6.239 4.929 3.084 1.00 0.00 O ATOM 502 CB PHE A 30 4.009 3.023 1.856 1.00 0.00 C ATOM 503 CG PHE A 30 4.050 2.201 0.599 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.909 2.534 -0.435 1.00 0.00 C ATOM 505 CD2 PHE A 30 3.228 1.095 0.452 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.950 1.780 -1.593 1.00 0.00 C ATOM 507 CE2 PHE A 30 3.264 0.337 -0.703 1.00 0.00 C ATOM 508 CZ PHE A 30 4.125 0.680 -1.727 1.00 0.00 C ATOM 0 H PHE A 30 3.946 1.566 3.936 1.00 0.00 H new ATOM 0 HA PHE A 30 6.074 2.521 2.179 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.090 2.800 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.973 4.079 1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.555 3.394 -0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.552 0.822 1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.625 2.050 -2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.619 -0.523 -0.805 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.153 0.089 -2.631 1.00 0.00 H new ATOM 518 N SER A 31 4.973 4.148 4.772 1.00 0.00 N ATOM 519 CA SER A 31 5.192 5.314 5.621 1.00 0.00 C ATOM 520 C SER A 31 6.683 5.559 5.833 1.00 0.00 C ATOM 521 O SER A 31 7.147 6.698 5.787 1.00 0.00 O ATOM 522 CB SER A 31 4.497 5.126 6.971 1.00 0.00 C ATOM 523 OG SER A 31 4.531 6.320 7.733 1.00 0.00 O ATOM 0 H SER A 31 4.376 3.431 5.185 1.00 0.00 H new ATOM 0 HA SER A 31 4.766 6.183 5.120 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.462 4.822 6.812 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.983 4.323 7.525 1.00 0.00 H new ATOM 0 HG SER A 31 4.079 6.174 8.590 1.00 0.00 H new ATOM 529 N GLN A 32 7.426 4.482 6.067 1.00 0.00 N ATOM 530 CA GLN A 32 8.864 4.580 6.287 1.00 0.00 C ATOM 531 C GLN A 32 9.530 5.393 5.182 1.00 0.00 C ATOM 532 O GLN A 32 10.617 5.940 5.370 1.00 0.00 O ATOM 533 CB GLN A 32 9.486 3.185 6.356 1.00 0.00 C ATOM 534 CG GLN A 32 8.845 2.185 5.407 1.00 0.00 C ATOM 535 CD GLN A 32 9.797 1.079 4.995 1.00 0.00 C ATOM 536 OE1 GLN A 32 10.962 1.330 4.686 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.304 -0.154 4.987 1.00 0.00 N ATOM 0 H GLN A 32 7.056 3.532 6.109 1.00 0.00 H new ATOM 0 HA GLN A 32 9.027 5.090 7.236 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.549 3.259 6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.404 2.810 7.376 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.969 1.746 5.885 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.494 2.708 4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.332 -0.316 5.251 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.897 -0.939 4.717 1.00 0.00 H new ATOM 546 N TYR A 33 8.872 5.468 4.031 1.00 0.00 N ATOM 547 CA TYR A 33 9.401 6.212 2.895 1.00 0.00 C ATOM 548 C TYR A 33 8.802 7.614 2.834 1.00 0.00 C ATOM 549 O TYR A 33 9.520 8.602 2.689 1.00 0.00 O ATOM 550 CB TYR A 33 9.114 5.466 1.591 1.00 0.00 C ATOM 551 CG TYR A 33 9.721 4.082 1.539 1.00 0.00 C ATOM 552 CD1 TYR A 33 11.010 3.885 1.057 1.00 0.00 C ATOM 553 CD2 TYR A 33 9.007 2.972 1.972 1.00 0.00 C ATOM 554 CE1 TYR A 33 11.568 2.622 1.007 1.00 0.00 C ATOM 555 CE2 TYR A 33 9.558 1.706 1.927 1.00 0.00 C ATOM 556 CZ TYR A 33 10.838 1.536 1.443 1.00 0.00 C ATOM 557 OH TYR A 33 11.392 0.277 1.396 1.00 0.00 O ATOM 0 H TYR A 33 7.971 5.022 3.860 1.00 0.00 H new ATOM 0 HA TYR A 33 10.479 6.303 3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.035 5.386 1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.495 6.053 0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 33 11.585 4.733 0.716 1.00 0.00 H new ATOM 0 HD2 TYR A 33 8.004 3.101 2.350 1.00 0.00 H new ATOM 0 HE1 TYR A 33 12.570 2.486 0.629 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.989 0.854 2.269 1.00 0.00 H new ATOM 0 HH TYR A 33 10.748 -0.377 1.740 1.00 0.00 H new ATOM 567 N GLY A 34 7.480 7.690 2.947 1.00 0.00 N ATOM 568 CA GLY A 34 6.804 8.974 2.904 1.00 0.00 C ATOM 569 C GLY A 34 5.570 9.011 3.783 1.00 0.00 C ATOM 570 O GLY A 34 4.865 8.011 3.915 1.00 0.00 O ATOM 0 H GLY A 34 6.865 6.886 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.495 9.755 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.520 9.197 1.876 1.00 0.00 H new ATOM 574 N GLU A 35 5.310 10.166 4.388 1.00 0.00 N ATOM 575 CA GLU A 35 4.154 10.326 5.262 1.00 0.00 C ATOM 576 C GLU A 35 2.873 9.892 4.555 1.00 0.00 C ATOM 577 O GLU A 35 2.307 10.640 3.757 1.00 0.00 O ATOM 578 CB GLU A 35 4.029 11.781 5.717 1.00 0.00 C ATOM 579 CG GLU A 35 2.656 12.133 6.264 1.00 0.00 C ATOM 580 CD GLU A 35 2.708 13.225 7.315 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.629 14.065 7.253 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.827 13.238 8.200 1.00 0.00 O ATOM 0 H GLU A 35 5.884 11.004 4.289 1.00 0.00 H new ATOM 0 HA GLU A 35 4.300 9.690 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.778 11.978 6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.254 12.436 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.014 12.454 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.201 11.241 6.695 1.00 0.00 H new ATOM 589 N VAL A 36 2.423 8.677 4.852 1.00 0.00 N ATOM 590 CA VAL A 36 1.209 8.142 4.247 1.00 0.00 C ATOM 591 C VAL A 36 -0.011 8.967 4.641 1.00 0.00 C ATOM 592 O VAL A 36 -0.341 9.082 5.821 1.00 0.00 O ATOM 593 CB VAL A 36 0.978 6.675 4.655 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.337 6.164 4.086 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.140 5.806 4.199 1.00 0.00 C ATOM 0 H VAL A 36 2.881 8.044 5.508 1.00 0.00 H new ATOM 0 HA VAL A 36 1.344 8.193 3.167 1.00 0.00 H new ATOM 0 HB VAL A 36 0.921 6.623 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.484 5.126 4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.159 6.771 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.312 6.229 2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.960 4.773 4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.232 5.861 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.062 6.160 4.660 1.00 0.00 H new ATOM 605 N VAL A 37 -0.679 9.539 3.644 1.00 0.00 N ATOM 606 CA VAL A 37 -1.865 10.352 3.886 1.00 0.00 C ATOM 607 C VAL A 37 -3.130 9.500 3.859 1.00 0.00 C ATOM 608 O VAL A 37 -4.037 9.694 4.669 1.00 0.00 O ATOM 609 CB VAL A 37 -1.996 11.478 2.843 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.904 12.583 3.361 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.625 12.029 2.480 1.00 0.00 C ATOM 0 H VAL A 37 -0.419 9.454 2.661 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.749 10.795 4.875 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.447 11.064 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.984 13.370 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.894 12.175 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.486 12.998 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.736 12.824 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.145 12.428 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.011 11.231 2.064 1.00 0.00 H new ATOM 621 N ASP A 38 -3.182 8.558 2.925 1.00 0.00 N ATOM 622 CA ASP A 38 -4.335 7.675 2.794 1.00 0.00 C ATOM 623 C ASP A 38 -3.962 6.401 2.042 1.00 0.00 C ATOM 624 O ASP A 38 -3.408 6.457 0.943 1.00 0.00 O ATOM 625 CB ASP A 38 -5.475 8.393 2.070 1.00 0.00 C ATOM 626 CG ASP A 38 -6.839 7.866 2.471 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.102 6.666 2.243 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.643 8.652 3.013 1.00 0.00 O ATOM 0 H ASP A 38 -2.439 8.386 2.247 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.666 7.401 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.423 9.460 2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.347 8.279 0.994 1.00 0.00 H new ATOM 633 N CYS A 39 -4.267 5.255 2.640 1.00 0.00 N ATOM 634 CA CYS A 39 -3.962 3.967 2.028 1.00 0.00 C ATOM 635 C CYS A 39 -5.241 3.211 1.686 1.00 0.00 C ATOM 636 O CYS A 39 -6.158 3.119 2.502 1.00 0.00 O ATOM 637 CB CYS A 39 -3.093 3.127 2.964 1.00 0.00 C ATOM 638 SG CYS A 39 -2.723 1.471 2.340 1.00 0.00 S ATOM 0 H CYS A 39 -4.726 5.191 3.549 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.414 4.152 1.104 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.156 3.654 3.143 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.597 3.037 3.926 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.825 0.894 1.962 1.00 0.00 H new ATOM 644 N VAL A 40 -5.297 2.672 0.472 1.00 0.00 N ATOM 645 CA VAL A 40 -6.465 1.923 0.021 1.00 0.00 C ATOM 646 C VAL A 40 -6.065 0.555 -0.520 1.00 0.00 C ATOM 647 O VAL A 40 -5.033 0.414 -1.177 1.00 0.00 O ATOM 648 CB VAL A 40 -7.235 2.690 -1.070 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.572 2.019 -1.351 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.434 4.142 -0.661 1.00 0.00 C ATOM 0 H VAL A 40 -4.548 2.740 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.112 1.792 0.888 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.646 2.672 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.102 2.574 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.402 0.997 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.170 2.004 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.980 4.669 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.002 4.184 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.463 4.615 -0.514 1.00 0.00 H new ATOM 660 N ILE A 41 -6.889 -0.449 -0.241 1.00 0.00 N ATOM 661 CA ILE A 41 -6.622 -1.806 -0.702 1.00 0.00 C ATOM 662 C ILE A 41 -7.856 -2.417 -1.357 1.00 0.00 C ATOM 663 O ILE A 41 -8.782 -2.853 -0.674 1.00 0.00 O ATOM 664 CB ILE A 41 -6.167 -2.714 0.455 1.00 0.00 C ATOM 665 CG1 ILE A 41 -4.761 -2.323 0.916 1.00 0.00 C ATOM 666 CG2 ILE A 41 -6.204 -4.174 0.029 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.153 -3.302 1.896 1.00 0.00 C ATOM 0 H ILE A 41 -7.747 -0.349 0.302 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.820 -1.737 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.853 -2.583 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.111 -2.242 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.800 -1.336 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.880 -4.803 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.221 -4.444 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.538 -4.322 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.157 -2.962 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.781 -3.365 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.082 -4.285 1.431 1.00 0.00 H new ATOM 679 N MET A 42 -7.861 -2.445 -2.686 1.00 0.00 N ATOM 680 CA MET A 42 -8.981 -3.006 -3.434 1.00 0.00 C ATOM 681 C MET A 42 -9.216 -4.463 -3.050 1.00 0.00 C ATOM 682 O MET A 42 -8.288 -5.273 -3.048 1.00 0.00 O ATOM 683 CB MET A 42 -8.722 -2.898 -4.938 1.00 0.00 C ATOM 684 CG MET A 42 -8.455 -1.477 -5.408 1.00 0.00 C ATOM 685 SD MET A 42 -9.970 -0.563 -5.754 1.00 0.00 S ATOM 686 CE MET A 42 -10.160 0.364 -4.233 1.00 0.00 C ATOM 0 H MET A 42 -7.103 -2.086 -3.267 1.00 0.00 H new ATOM 0 HA MET A 42 -9.875 -2.435 -3.184 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.868 -3.524 -5.197 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.583 -3.294 -5.476 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.882 -0.948 -4.646 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.839 -1.506 -6.307 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.218 0.432 -3.978 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.625 -0.142 -3.429 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.753 1.367 -4.365 1.00 0.00 H new ATOM 696 N LYS A 43 -10.461 -4.791 -2.724 1.00 0.00 N ATOM 697 CA LYS A 43 -10.819 -6.151 -2.339 1.00 0.00 C ATOM 698 C LYS A 43 -11.854 -6.733 -3.297 1.00 0.00 C ATOM 699 O LYS A 43 -12.345 -6.043 -4.190 1.00 0.00 O ATOM 700 CB LYS A 43 -11.363 -6.172 -0.909 1.00 0.00 C ATOM 701 CG LYS A 43 -10.289 -6.359 0.148 1.00 0.00 C ATOM 702 CD LYS A 43 -10.675 -5.696 1.459 1.00 0.00 C ATOM 703 CE LYS A 43 -9.505 -5.657 2.430 1.00 0.00 C ATOM 704 NZ LYS A 43 -9.229 -6.995 3.021 1.00 0.00 N ATOM 0 H LYS A 43 -11.240 -4.133 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.919 -6.764 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.891 -5.238 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.093 -6.976 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.121 -7.423 0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.349 -5.940 -0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.023 -4.681 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.506 -6.237 1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.615 -5.298 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.719 -4.945 3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.212 -6.920 4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.974 -7.662 2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.307 -7.340 2.684 1.00 0.00 H new ATOM 718 N ASP A 44 -12.183 -8.006 -3.103 1.00 0.00 N ATOM 719 CA ASP A 44 -13.162 -8.680 -3.948 1.00 0.00 C ATOM 720 C ASP A 44 -14.565 -8.141 -3.690 1.00 0.00 C ATOM 721 O ASP A 44 -14.775 -7.331 -2.786 1.00 0.00 O ATOM 722 CB ASP A 44 -13.128 -10.189 -3.701 1.00 0.00 C ATOM 723 CG ASP A 44 -13.897 -10.965 -4.751 1.00 0.00 C ATOM 724 OD1 ASP A 44 -13.434 -11.013 -5.910 1.00 0.00 O ATOM 725 OD2 ASP A 44 -14.962 -11.524 -4.416 1.00 0.00 O ATOM 0 H ASP A 44 -11.786 -8.591 -2.368 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.903 -8.484 -4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.092 -10.529 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.546 -10.403 -2.717 1.00 0.00 H new ATOM 730 N LYS A 45 -15.524 -8.594 -4.490 1.00 0.00 N ATOM 731 CA LYS A 45 -16.909 -8.159 -4.349 1.00 0.00 C ATOM 732 C LYS A 45 -17.598 -8.899 -3.207 1.00 0.00 C ATOM 733 O LYS A 45 -18.378 -8.313 -2.455 1.00 0.00 O ATOM 734 CB LYS A 45 -17.673 -8.388 -5.655 1.00 0.00 C ATOM 735 CG LYS A 45 -19.167 -8.140 -5.537 1.00 0.00 C ATOM 736 CD LYS A 45 -19.906 -8.584 -6.788 1.00 0.00 C ATOM 737 CE LYS A 45 -20.067 -10.096 -6.834 1.00 0.00 C ATOM 738 NZ LYS A 45 -21.192 -10.507 -7.717 1.00 0.00 N ATOM 0 H LYS A 45 -15.368 -9.263 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.907 -7.094 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.264 -7.734 -6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.508 -9.413 -5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.559 -8.676 -4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.348 -7.079 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.888 -8.112 -6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -19.363 -8.248 -7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.142 -10.549 -7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.240 -10.474 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.269 -11.544 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.079 -10.096 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.015 -10.169 -8.684 1.00 0.00 H new ATOM 752 N THR A 46 -17.305 -10.189 -3.082 1.00 0.00 N ATOM 753 CA THR A 46 -17.896 -11.009 -2.032 1.00 0.00 C ATOM 754 C THR A 46 -16.831 -11.522 -1.069 1.00 0.00 C ATOM 755 O THR A 46 -17.055 -11.595 0.140 1.00 0.00 O ATOM 756 CB THR A 46 -18.661 -12.210 -2.620 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.672 -11.751 -3.524 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.299 -13.039 -1.516 1.00 0.00 C ATOM 0 H THR A 46 -16.661 -10.689 -3.695 1.00 0.00 H new ATOM 0 HA THR A 46 -18.595 -10.372 -1.490 1.00 0.00 H new ATOM 0 HB THR A 46 -17.950 -12.837 -3.158 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.153 -12.520 -3.895 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.833 -13.881 -1.956 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.524 -13.411 -0.846 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.998 -12.420 -0.954 1.00 0.00 H new ATOM 766 N THR A 47 -15.670 -11.876 -1.612 1.00 0.00 N ATOM 767 CA THR A 47 -14.570 -12.382 -0.801 1.00 0.00 C ATOM 768 C THR A 47 -14.000 -11.289 0.096 1.00 0.00 C ATOM 769 O THR A 47 -13.432 -11.572 1.150 1.00 0.00 O ATOM 770 CB THR A 47 -13.441 -12.952 -1.679 1.00 0.00 C ATOM 771 OG1 THR A 47 -13.984 -13.480 -2.894 1.00 0.00 O ATOM 772 CG2 THR A 47 -12.679 -14.042 -0.941 1.00 0.00 C ATOM 0 H THR A 47 -15.468 -11.821 -2.610 1.00 0.00 H new ATOM 0 HA THR A 47 -14.976 -13.181 -0.181 1.00 0.00 H new ATOM 0 HB THR A 47 -12.749 -12.143 -1.913 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.259 -13.839 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.887 -14.429 -1.581 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.242 -13.629 -0.032 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.362 -14.850 -0.680 1.00 0.00 H new ATOM 780 N ASN A 48 -14.156 -10.040 -0.330 1.00 0.00 N ATOM 781 CA ASN A 48 -13.655 -8.904 0.436 1.00 0.00 C ATOM 782 C ASN A 48 -12.182 -9.090 0.786 1.00 0.00 C ATOM 783 O ASN A 48 -11.713 -8.604 1.814 1.00 0.00 O ATOM 784 CB ASN A 48 -14.476 -8.723 1.714 1.00 0.00 C ATOM 785 CG ASN A 48 -15.921 -8.364 1.428 1.00 0.00 C ATOM 786 OD1 ASN A 48 -16.204 -7.464 0.637 1.00 0.00 O ATOM 787 ND2 ASN A 48 -16.844 -9.069 2.072 1.00 0.00 N ATOM 0 H ASN A 48 -14.625 -9.789 -1.200 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.753 -8.010 -0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.442 -9.643 2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.024 -7.941 2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.833 -8.873 1.920 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.563 -9.806 2.719 1.00 0.00 H new ATOM 794 N GLN A 49 -11.459 -9.795 -0.078 1.00 0.00 N ATOM 795 CA GLN A 49 -10.039 -10.045 0.140 1.00 0.00 C ATOM 796 C GLN A 49 -9.191 -9.295 -0.881 1.00 0.00 C ATOM 797 O GLN A 49 -9.527 -9.243 -2.064 1.00 0.00 O ATOM 798 CB GLN A 49 -9.746 -11.545 0.061 1.00 0.00 C ATOM 799 CG GLN A 49 -10.234 -12.325 1.271 1.00 0.00 C ATOM 800 CD GLN A 49 -9.467 -13.615 1.482 1.00 0.00 C ATOM 801 OE1 GLN A 49 -8.843 -13.817 2.524 1.00 0.00 O ATOM 802 NE2 GLN A 49 -9.509 -14.498 0.490 1.00 0.00 N ATOM 0 H GLN A 49 -11.833 -10.203 -0.935 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.781 -9.683 1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.214 -11.951 -0.836 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.671 -11.692 -0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.142 -11.702 2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.293 -12.552 1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.039 -14.289 -0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.012 -15.384 0.575 1.00 0.00 H new ATOM 811 N SER A 50 -8.090 -8.713 -0.415 1.00 0.00 N ATOM 812 CA SER A 50 -7.196 -7.961 -1.287 1.00 0.00 C ATOM 813 C SER A 50 -6.920 -8.730 -2.576 1.00 0.00 C ATOM 814 O SER A 50 -6.131 -9.675 -2.591 1.00 0.00 O ATOM 815 CB SER A 50 -5.879 -7.661 -0.567 1.00 0.00 C ATOM 816 OG SER A 50 -4.847 -7.366 -1.492 1.00 0.00 O ATOM 0 H SER A 50 -7.796 -8.748 0.561 1.00 0.00 H new ATOM 0 HA SER A 50 -7.685 -7.021 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.015 -6.819 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.591 -8.517 0.043 1.00 0.00 H new ATOM 0 HG SER A 50 -4.024 -7.824 -1.221 1.00 0.00 H new ATOM 822 N ARG A 51 -7.576 -8.317 -3.655 1.00 0.00 N ATOM 823 CA ARG A 51 -7.403 -8.967 -4.949 1.00 0.00 C ATOM 824 C ARG A 51 -5.925 -9.061 -5.317 1.00 0.00 C ATOM 825 O ARG A 51 -5.482 -10.049 -5.902 1.00 0.00 O ATOM 826 CB ARG A 51 -8.162 -8.201 -6.034 1.00 0.00 C ATOM 827 CG ARG A 51 -9.649 -8.515 -6.074 1.00 0.00 C ATOM 828 CD ARG A 51 -10.456 -7.328 -6.575 1.00 0.00 C ATOM 829 NE ARG A 51 -10.592 -7.332 -8.029 1.00 0.00 N ATOM 830 CZ ARG A 51 -11.428 -8.128 -8.686 1.00 0.00 C ATOM 831 NH1 ARG A 51 -12.199 -8.979 -8.022 1.00 0.00 N ATOM 832 NH2 ARG A 51 -11.495 -8.074 -10.010 1.00 0.00 N ATOM 0 H ARG A 51 -8.232 -7.536 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.807 -9.977 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.029 -7.131 -5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.724 -8.433 -7.005 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.823 -9.374 -6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.990 -8.793 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.446 -7.344 -6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.974 -6.403 -6.259 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.014 -6.689 -8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.151 -9.023 -7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.840 -9.589 -8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.904 -7.421 -10.524 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.137 -8.686 -10.514 1.00 0.00 H new ATOM 846 N GLY A 52 -5.167 -8.025 -4.971 1.00 0.00 N ATOM 847 CA GLY A 52 -3.748 -8.011 -5.273 1.00 0.00 C ATOM 848 C GLY A 52 -3.281 -6.667 -5.797 1.00 0.00 C ATOM 849 O GLY A 52 -2.351 -6.595 -6.601 1.00 0.00 O ATOM 0 H GLY A 52 -5.510 -7.195 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.186 -8.262 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.529 -8.782 -6.012 1.00 0.00 H new ATOM 853 N PHE A 53 -3.928 -5.599 -5.342 1.00 0.00 N ATOM 854 CA PHE A 53 -3.575 -4.251 -5.772 1.00 0.00 C ATOM 855 C PHE A 53 -4.293 -3.205 -4.925 1.00 0.00 C ATOM 856 O PHE A 53 -5.371 -3.457 -4.389 1.00 0.00 O ATOM 857 CB PHE A 53 -3.924 -4.056 -7.249 1.00 0.00 C ATOM 858 CG PHE A 53 -5.382 -4.254 -7.551 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.914 -5.529 -7.657 1.00 0.00 C ATOM 860 CD2 PHE A 53 -6.221 -3.166 -7.728 1.00 0.00 C ATOM 861 CE1 PHE A 53 -7.255 -5.715 -7.936 1.00 0.00 C ATOM 862 CE2 PHE A 53 -7.563 -3.345 -8.006 1.00 0.00 C ATOM 863 CZ PHE A 53 -8.081 -4.621 -8.109 1.00 0.00 C ATOM 0 H PHE A 53 -4.699 -5.641 -4.676 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.500 -4.124 -5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.631 -3.051 -7.554 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.339 -4.754 -7.848 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.273 -6.388 -7.520 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.822 -2.166 -7.648 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.657 -6.714 -8.019 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.206 -2.488 -8.143 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.130 -4.763 -8.324 1.00 0.00 H new ATOM 873 N GLY A 54 -3.686 -2.027 -4.809 1.00 0.00 N ATOM 874 CA GLY A 54 -4.280 -0.960 -4.026 1.00 0.00 C ATOM 875 C GLY A 54 -3.728 0.403 -4.390 1.00 0.00 C ATOM 876 O GLY A 54 -3.332 0.636 -5.533 1.00 0.00 O ATOM 0 H GLY A 54 -2.793 -1.793 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.360 -0.963 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.103 -1.149 -2.967 1.00 0.00 H new ATOM 880 N PHE A 55 -3.702 1.309 -3.418 1.00 0.00 N ATOM 881 CA PHE A 55 -3.196 2.658 -3.643 1.00 0.00 C ATOM 882 C PHE A 55 -2.591 3.232 -2.365 1.00 0.00 C ATOM 883 O PHE A 55 -2.865 2.753 -1.265 1.00 0.00 O ATOM 884 CB PHE A 55 -4.319 3.569 -4.143 1.00 0.00 C ATOM 885 CG PHE A 55 -4.944 3.102 -5.426 1.00 0.00 C ATOM 886 CD1 PHE A 55 -5.961 2.162 -5.414 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.514 3.603 -6.644 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.537 1.729 -6.594 1.00 0.00 C ATOM 889 CE2 PHE A 55 -5.087 3.175 -7.827 1.00 0.00 C ATOM 890 CZ PHE A 55 -6.100 2.237 -7.801 1.00 0.00 C ATOM 0 H PHE A 55 -4.026 1.133 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.415 2.605 -4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.090 3.636 -3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.924 4.575 -4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.308 1.763 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.722 4.337 -6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.328 0.994 -6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.743 3.574 -8.770 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.550 1.901 -8.724 1.00 0.00 H new ATOM 900 N VAL A 56 -1.765 4.262 -2.519 1.00 0.00 N ATOM 901 CA VAL A 56 -1.120 4.903 -1.379 1.00 0.00 C ATOM 902 C VAL A 56 -0.851 6.377 -1.657 1.00 0.00 C ATOM 903 O VAL A 56 -0.214 6.727 -2.651 1.00 0.00 O ATOM 904 CB VAL A 56 0.208 4.208 -1.022 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.897 4.932 0.124 1.00 0.00 C ATOM 906 CG2 VAL A 56 -0.033 2.747 -0.673 1.00 0.00 C ATOM 0 H VAL A 56 -1.527 4.671 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.806 4.815 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 56 0.864 4.246 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.833 4.427 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.104 5.962 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.248 4.927 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.915 2.271 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.707 2.683 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.481 2.238 -1.527 1.00 0.00 H new ATOM 916 N LYS A 57 -1.339 7.239 -0.772 1.00 0.00 N ATOM 917 CA LYS A 57 -1.151 8.678 -0.920 1.00 0.00 C ATOM 918 C LYS A 57 0.023 9.162 -0.075 1.00 0.00 C ATOM 919 O LYS A 57 0.318 8.597 0.978 1.00 0.00 O ATOM 920 CB LYS A 57 -2.425 9.424 -0.516 1.00 0.00 C ATOM 921 CG LYS A 57 -2.593 10.762 -1.215 1.00 0.00 C ATOM 922 CD LYS A 57 -3.786 11.529 -0.670 1.00 0.00 C ATOM 923 CE LYS A 57 -3.734 12.996 -1.069 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.955 13.732 -0.637 1.00 0.00 N ATOM 0 H LYS A 57 -1.868 6.966 0.056 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.933 8.885 -1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.289 8.797 -0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.415 9.585 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.688 11.356 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.721 10.601 -2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.708 11.082 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.807 11.447 0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.854 13.462 -0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.626 13.075 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.881 14.728 -0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.793 13.304 -1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.044 13.679 0.398 1.00 0.00 H new ATOM 938 N PHE A 58 0.690 10.212 -0.544 1.00 0.00 N ATOM 939 CA PHE A 58 1.832 10.772 0.169 1.00 0.00 C ATOM 940 C PHE A 58 1.693 12.285 0.316 1.00 0.00 C ATOM 941 O PHE A 58 1.472 12.998 -0.664 1.00 0.00 O ATOM 942 CB PHE A 58 3.132 10.437 -0.564 1.00 0.00 C ATOM 943 CG PHE A 58 3.605 9.031 -0.334 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.308 8.701 0.814 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.347 8.037 -1.265 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.744 7.407 1.028 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.781 6.742 -1.056 1.00 0.00 C ATOM 948 CZ PHE A 58 4.480 6.426 0.093 1.00 0.00 C ATOM 0 H PHE A 58 0.459 10.692 -1.414 1.00 0.00 H new ATOM 0 HA PHE A 58 1.860 10.329 1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.987 10.593 -1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.910 11.130 -0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.517 9.464 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.800 8.278 -2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.291 7.163 1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.574 5.977 -1.790 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.819 5.414 0.259 1.00 0.00 H new ATOM 958 N LYS A 59 1.822 12.768 1.546 1.00 0.00 N ATOM 959 CA LYS A 59 1.712 14.195 1.824 1.00 0.00 C ATOM 960 C LYS A 59 2.457 15.013 0.774 1.00 0.00 C ATOM 961 O LYS A 59 2.079 16.145 0.471 1.00 0.00 O ATOM 962 CB LYS A 59 2.263 14.509 3.216 1.00 0.00 C ATOM 963 CG LYS A 59 1.780 15.836 3.777 1.00 0.00 C ATOM 964 CD LYS A 59 1.839 15.854 5.295 1.00 0.00 C ATOM 965 CE LYS A 59 1.866 17.276 5.835 1.00 0.00 C ATOM 966 NZ LYS A 59 3.241 17.848 5.824 1.00 0.00 N ATOM 0 H LYS A 59 2.003 12.192 2.368 1.00 0.00 H new ATOM 0 HA LYS A 59 0.657 14.466 1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.977 13.710 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.352 14.517 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.392 16.645 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.757 16.020 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.976 15.326 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.727 15.319 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.207 17.904 5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.477 17.285 6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.217 18.818 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.865 17.263 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.603 17.863 4.849 1.00 0.00 H new ATOM 980 N ASP A 60 3.517 14.432 0.222 1.00 0.00 N ATOM 981 CA ASP A 60 4.314 15.107 -0.797 1.00 0.00 C ATOM 982 C ASP A 60 4.422 14.252 -2.056 1.00 0.00 C ATOM 983 O ASP A 60 4.578 13.032 -1.996 1.00 0.00 O ATOM 984 CB ASP A 60 5.710 15.421 -0.257 1.00 0.00 C ATOM 985 CG ASP A 60 6.385 16.545 -1.017 1.00 0.00 C ATOM 986 OD1 ASP A 60 6.004 17.716 -0.809 1.00 0.00 O ATOM 987 OD2 ASP A 60 7.296 16.253 -1.821 1.00 0.00 O ATOM 0 H ASP A 60 3.844 13.496 0.462 1.00 0.00 H new ATOM 0 HA ASP A 60 3.815 16.041 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.637 15.691 0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.328 14.525 -0.314 1.00 0.00 H new ATOM 992 N PRO A 61 4.337 14.905 -3.224 1.00 0.00 N ATOM 993 CA PRO A 61 4.423 14.225 -4.520 1.00 0.00 C ATOM 994 C PRO A 61 5.825 13.696 -4.805 1.00 0.00 C ATOM 995 O PRO A 61 6.048 13.010 -5.801 1.00 0.00 O ATOM 996 CB PRO A 61 4.050 15.321 -5.521 1.00 0.00 C ATOM 997 CG PRO A 61 4.398 16.596 -4.834 1.00 0.00 C ATOM 998 CD PRO A 61 4.151 16.359 -3.370 1.00 0.00 C ATOM 0 HA PRO A 61 3.775 13.350 -4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.603 15.210 -6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.990 15.283 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.438 16.866 -5.015 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.786 17.418 -5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.851 16.918 -2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.148 16.667 -3.077 1.00 0.00 H new ATOM 1006 N ASN A 62 6.765 14.021 -3.924 1.00 0.00 N ATOM 1007 CA ASN A 62 8.146 13.578 -4.082 1.00 0.00 C ATOM 1008 C ASN A 62 8.356 12.212 -3.438 1.00 0.00 C ATOM 1009 O ASN A 62 9.246 11.457 -3.835 1.00 0.00 O ATOM 1010 CB ASN A 62 9.104 14.599 -3.465 1.00 0.00 C ATOM 1011 CG ASN A 62 8.898 15.995 -4.019 1.00 0.00 C ATOM 1012 OD1 ASN A 62 7.776 16.388 -4.340 1.00 0.00 O ATOM 1013 ND2 ASN A 62 9.982 16.753 -4.133 1.00 0.00 N ATOM 0 H ASN A 62 6.596 14.589 -3.094 1.00 0.00 H new ATOM 0 HA ASN A 62 8.355 13.492 -5.148 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.965 14.616 -2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.132 14.286 -3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.905 17.702 -4.499 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.892 16.386 -3.855 1.00 0.00 H new ATOM 1020 N CYS A 63 7.533 11.899 -2.444 1.00 0.00 N ATOM 1021 CA CYS A 63 7.628 10.623 -1.744 1.00 0.00 C ATOM 1022 C CYS A 63 7.483 9.457 -2.717 1.00 0.00 C ATOM 1023 O CYS A 63 8.133 8.423 -2.565 1.00 0.00 O ATOM 1024 CB CYS A 63 6.556 10.532 -0.657 1.00 0.00 C ATOM 1025 SG CYS A 63 6.545 11.932 0.488 1.00 0.00 S ATOM 0 H CYS A 63 6.792 12.512 -2.104 1.00 0.00 H new ATOM 0 HA CYS A 63 8.612 10.565 -1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.578 10.457 -1.132 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.706 9.614 -0.090 1.00 0.00 H new ATOM 0 HG CYS A 63 5.481 11.875 1.233 1.00 0.00 H new ATOM 1031 N VAL A 64 6.624 9.631 -3.717 1.00 0.00 N ATOM 1032 CA VAL A 64 6.393 8.594 -4.715 1.00 0.00 C ATOM 1033 C VAL A 64 7.706 8.114 -5.324 1.00 0.00 C ATOM 1034 O VAL A 64 8.015 6.924 -5.301 1.00 0.00 O ATOM 1035 CB VAL A 64 5.470 9.094 -5.841 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.309 8.028 -6.914 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.117 9.504 -5.279 1.00 0.00 C ATOM 0 H VAL A 64 6.077 10.480 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 64 5.909 7.763 -4.201 1.00 0.00 H new ATOM 0 HB VAL A 64 5.928 9.970 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.653 8.400 -7.701 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.284 7.788 -7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.874 7.131 -6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.478 9.855 -6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.650 8.647 -4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.253 10.304 -4.551 1.00 0.00 H new ATOM 1047 N GLY A 65 8.476 9.051 -5.869 1.00 0.00 N ATOM 1048 CA GLY A 65 9.748 8.705 -6.477 1.00 0.00 C ATOM 1049 C GLY A 65 10.640 7.912 -5.542 1.00 0.00 C ATOM 1050 O GLY A 65 11.142 6.847 -5.904 1.00 0.00 O ATOM 0 H GLY A 65 8.242 10.043 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.569 8.125 -7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.263 9.617 -6.779 1.00 0.00 H new ATOM 1054 N THR A 66 10.841 8.432 -4.335 1.00 0.00 N ATOM 1055 CA THR A 66 11.681 7.768 -3.347 1.00 0.00 C ATOM 1056 C THR A 66 11.419 6.266 -3.323 1.00 0.00 C ATOM 1057 O THR A 66 12.352 5.464 -3.285 1.00 0.00 O ATOM 1058 CB THR A 66 11.449 8.340 -1.936 1.00 0.00 C ATOM 1059 OG1 THR A 66 11.991 9.663 -1.849 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.090 7.453 -0.880 1.00 0.00 C ATOM 0 H THR A 66 10.433 9.312 -4.019 1.00 0.00 H new ATOM 0 HA THR A 66 12.715 7.950 -3.639 1.00 0.00 H new ATOM 0 HB THR A 66 10.375 8.375 -1.754 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.838 10.021 -0.950 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.913 7.878 0.108 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.654 6.455 -0.930 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.163 7.390 -1.061 1.00 0.00 H new ATOM 1068 N VAL A 67 10.144 5.892 -3.347 1.00 0.00 N ATOM 1069 CA VAL A 67 9.759 4.486 -3.330 1.00 0.00 C ATOM 1070 C VAL A 67 10.013 3.830 -4.683 1.00 0.00 C ATOM 1071 O VAL A 67 10.496 2.699 -4.756 1.00 0.00 O ATOM 1072 CB VAL A 67 8.274 4.314 -2.960 1.00 0.00 C ATOM 1073 CG1 VAL A 67 7.866 2.852 -3.049 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.005 4.867 -1.568 1.00 0.00 C ATOM 0 H VAL A 67 9.360 6.543 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 67 10.373 4.000 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 67 7.673 4.877 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.814 2.751 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.020 2.493 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.472 2.263 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.951 4.737 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.616 4.333 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.256 5.928 -1.543 1.00 0.00 H new ATOM 1084 N LEU A 68 9.686 4.547 -5.752 1.00 0.00 N ATOM 1085 CA LEU A 68 9.879 4.035 -7.104 1.00 0.00 C ATOM 1086 C LEU A 68 11.344 3.689 -7.352 1.00 0.00 C ATOM 1087 O LEU A 68 11.656 2.762 -8.098 1.00 0.00 O ATOM 1088 CB LEU A 68 9.406 5.064 -8.133 1.00 0.00 C ATOM 1089 CG LEU A 68 7.902 5.337 -8.166 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.594 6.522 -9.069 1.00 0.00 C ATOM 1091 CD2 LEU A 68 7.146 4.101 -8.629 1.00 0.00 C ATOM 0 H LEU A 68 9.286 5.484 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 68 9.287 3.126 -7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.922 6.005 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.716 4.728 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 68 7.574 5.582 -7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.519 6.701 -9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.106 7.408 -8.694 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.936 6.307 -10.081 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.077 4.314 -8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.478 3.825 -9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.341 3.277 -7.943 1.00 0.00 H new ATOM 1103 N ALA A 69 12.239 4.439 -6.717 1.00 0.00 N ATOM 1104 CA ALA A 69 13.671 4.209 -6.865 1.00 0.00 C ATOM 1105 C ALA A 69 14.142 3.080 -5.954 1.00 0.00 C ATOM 1106 O ALA A 69 15.174 2.458 -6.205 1.00 0.00 O ATOM 1107 CB ALA A 69 14.444 5.486 -6.570 1.00 0.00 C ATOM 0 H ALA A 69 11.998 5.211 -6.095 1.00 0.00 H new ATOM 0 HA ALA A 69 13.862 3.912 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.512 5.300 -6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.135 6.267 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.239 5.808 -5.549 1.00 0.00 H new ATOM 1113 N SER A 70 13.380 2.823 -4.896 1.00 0.00 N ATOM 1114 CA SER A 70 13.723 1.771 -3.945 1.00 0.00 C ATOM 1115 C SER A 70 13.324 0.401 -4.484 1.00 0.00 C ATOM 1116 O SER A 70 13.728 -0.631 -3.947 1.00 0.00 O ATOM 1117 CB SER A 70 13.034 2.025 -2.603 1.00 0.00 C ATOM 1118 OG SER A 70 13.845 2.821 -1.756 1.00 0.00 O ATOM 0 H SER A 70 12.522 3.328 -4.675 1.00 0.00 H new ATOM 0 HA SER A 70 14.803 1.784 -3.799 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.079 2.523 -2.770 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.818 1.074 -2.116 1.00 0.00 H new ATOM 0 HG SER A 70 13.275 3.357 -1.166 1.00 0.00 H new ATOM 1124 N ARG A 71 12.528 0.399 -5.548 1.00 0.00 N ATOM 1125 CA ARG A 71 12.073 -0.844 -6.160 1.00 0.00 C ATOM 1126 C ARG A 71 13.252 -1.762 -6.468 1.00 0.00 C ATOM 1127 O ARG A 71 14.393 -1.321 -6.611 1.00 0.00 O ATOM 1128 CB ARG A 71 11.292 -0.550 -7.442 1.00 0.00 C ATOM 1129 CG ARG A 71 9.850 -0.139 -7.196 1.00 0.00 C ATOM 1130 CD ARG A 71 9.206 0.414 -8.458 1.00 0.00 C ATOM 1131 NE ARG A 71 9.311 -0.515 -9.579 1.00 0.00 N ATOM 1132 CZ ARG A 71 8.986 -0.199 -10.828 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.539 1.016 -11.113 1.00 0.00 N ATOM 1134 NH2 ARG A 71 9.110 -1.100 -11.795 1.00 0.00 N ATOM 0 H ARG A 71 12.185 1.244 -6.004 1.00 0.00 H new ATOM 0 HA ARG A 71 11.417 -1.350 -5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.798 0.243 -7.992 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.305 -1.436 -8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.281 -0.999 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.814 0.613 -6.408 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.155 0.630 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.682 1.358 -8.724 1.00 0.00 H new ATOM 0 HE ARG A 71 9.652 -1.458 -9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.444 1.711 -10.373 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.290 1.256 -12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.455 -2.035 -11.579 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.860 -0.857 -12.754 1.00 0.00 H new ATOM 1148 N PRO A 72 12.973 -3.069 -6.573 1.00 0.00 N ATOM 1149 CA PRO A 72 11.619 -3.606 -6.405 1.00 0.00 C ATOM 1150 C PRO A 72 11.136 -3.519 -4.961 1.00 0.00 C ATOM 1151 O PRO A 72 11.842 -3.009 -4.090 1.00 0.00 O ATOM 1152 CB PRO A 72 11.761 -5.068 -6.834 1.00 0.00 C ATOM 1153 CG PRO A 72 13.195 -5.394 -6.600 1.00 0.00 C ATOM 1154 CD PRO A 72 13.957 -4.125 -6.864 1.00 0.00 C ATOM 0 HA PRO A 72 10.884 -3.047 -6.985 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.107 -5.717 -6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.491 -5.201 -7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.355 -5.740 -5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.527 -6.193 -7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.835 -4.043 -6.224 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.308 -4.074 -7.895 1.00 0.00 H new ATOM 1162 N HIS A 73 9.930 -4.020 -4.714 1.00 0.00 N ATOM 1163 CA HIS A 73 9.354 -3.999 -3.374 1.00 0.00 C ATOM 1164 C HIS A 73 8.660 -5.322 -3.061 1.00 0.00 C ATOM 1165 O HIS A 73 8.298 -6.075 -3.966 1.00 0.00 O ATOM 1166 CB HIS A 73 8.360 -2.845 -3.241 1.00 0.00 C ATOM 1167 CG HIS A 73 9.010 -1.525 -2.958 1.00 0.00 C ATOM 1168 ND1 HIS A 73 9.161 -1.019 -1.684 1.00 0.00 N ATOM 1169 CD2 HIS A 73 9.551 -0.607 -3.793 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.765 0.154 -1.748 1.00 0.00 C ATOM 1171 NE2 HIS A 73 10.013 0.427 -3.017 1.00 0.00 N ATOM 0 H HIS A 73 9.333 -4.445 -5.423 1.00 0.00 H new ATOM 0 HA HIS A 73 10.164 -3.855 -2.659 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.782 -2.766 -4.162 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.656 -3.073 -2.441 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.608 -0.675 -4.869 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.014 0.783 -0.906 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.473 1.269 -3.364 1.00 0.00 H new ATOM 1180 N THR A 74 8.478 -5.598 -1.774 1.00 0.00 N ATOM 1181 CA THR A 74 7.830 -6.830 -1.341 1.00 0.00 C ATOM 1182 C THR A 74 7.347 -6.720 0.101 1.00 0.00 C ATOM 1183 O THR A 74 8.146 -6.745 1.038 1.00 0.00 O ATOM 1184 CB THR A 74 8.779 -8.037 -1.462 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.180 -8.210 -2.826 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.107 -9.306 -0.961 1.00 0.00 C ATOM 0 H THR A 74 8.770 -4.985 -1.013 1.00 0.00 H new ATOM 0 HA THR A 74 6.974 -6.984 -1.997 1.00 0.00 H new ATOM 0 HB THR A 74 9.658 -7.843 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.604 -7.670 -3.407 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.796 -10.145 -1.056 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.829 -9.182 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.213 -9.502 -1.553 1.00 0.00 H new ATOM 1194 N LEU A 75 6.035 -6.599 0.273 1.00 0.00 N ATOM 1195 CA LEU A 75 5.445 -6.486 1.602 1.00 0.00 C ATOM 1196 C LEU A 75 4.522 -7.665 1.890 1.00 0.00 C ATOM 1197 O LEU A 75 3.879 -8.199 0.985 1.00 0.00 O ATOM 1198 CB LEU A 75 4.670 -5.174 1.728 1.00 0.00 C ATOM 1199 CG LEU A 75 3.663 -5.096 2.876 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.376 -5.163 4.217 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.834 -3.824 2.774 1.00 0.00 C ATOM 0 H LEU A 75 5.360 -6.577 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 75 6.253 -6.494 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.387 -4.362 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.139 -4.998 0.793 1.00 0.00 H new ATOM 0 HG LEU A 75 2.991 -5.951 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.643 -5.106 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.924 -6.102 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.073 -4.329 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.123 -3.786 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.492 -2.956 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.293 -3.817 1.828 1.00 0.00 H new ATOM 1213 N ASP A 76 4.459 -8.066 3.155 1.00 0.00 N ATOM 1214 CA ASP A 76 3.610 -9.180 3.563 1.00 0.00 C ATOM 1215 C ASP A 76 3.999 -10.457 2.825 1.00 0.00 C ATOM 1216 O ASP A 76 3.141 -11.182 2.323 1.00 0.00 O ATOM 1217 CB ASP A 76 2.140 -8.852 3.300 1.00 0.00 C ATOM 1218 CG ASP A 76 1.529 -8.010 4.403 1.00 0.00 C ATOM 1219 OD1 ASP A 76 1.066 -8.592 5.407 1.00 0.00 O ATOM 1220 OD2 ASP A 76 1.514 -6.770 4.263 1.00 0.00 O ATOM 0 H ASP A 76 4.986 -7.636 3.916 1.00 0.00 H new ATOM 0 HA ASP A 76 3.752 -9.341 4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.053 -8.322 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.576 -9.779 3.200 1.00 0.00 H new ATOM 1225 N GLY A 77 5.300 -10.727 2.763 1.00 0.00 N ATOM 1226 CA GLY A 77 5.780 -11.916 2.084 1.00 0.00 C ATOM 1227 C GLY A 77 5.213 -12.053 0.685 1.00 0.00 C ATOM 1228 O GLY A 77 5.159 -13.153 0.135 1.00 0.00 O ATOM 0 H GLY A 77 6.030 -10.143 3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.868 -11.886 2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.514 -12.797 2.668 1.00 0.00 H new ATOM 1232 N ARG A 78 4.787 -10.934 0.108 1.00 0.00 N ATOM 1233 CA ARG A 78 4.219 -10.934 -1.234 1.00 0.00 C ATOM 1234 C ARG A 78 4.884 -9.874 -2.107 1.00 0.00 C ATOM 1235 O ARG A 78 4.892 -8.692 -1.766 1.00 0.00 O ATOM 1236 CB ARG A 78 2.711 -10.686 -1.172 1.00 0.00 C ATOM 1237 CG ARG A 78 1.938 -11.348 -2.302 1.00 0.00 C ATOM 1238 CD ARG A 78 1.833 -10.436 -3.514 1.00 0.00 C ATOM 1239 NE ARG A 78 1.387 -11.156 -4.704 1.00 0.00 N ATOM 1240 CZ ARG A 78 2.195 -11.877 -5.473 1.00 0.00 C ATOM 1241 NH1 ARG A 78 3.484 -11.972 -5.180 1.00 0.00 N ATOM 1242 NH2 ARG A 78 1.714 -12.503 -6.539 1.00 0.00 N ATOM 0 H ARG A 78 4.825 -10.015 0.550 1.00 0.00 H new ATOM 0 HA ARG A 78 4.402 -11.912 -1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.330 -11.053 -0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.527 -9.612 -1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.432 -12.277 -2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.939 -11.611 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.137 -9.626 -3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.803 -9.979 -3.709 1.00 0.00 H new ATOM 0 HE ARG A 78 0.401 -11.102 -4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.858 -11.491 -4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.102 -12.526 -5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.723 -12.431 -6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.335 -13.056 -7.129 1.00 0.00 H new ATOM 1256 N ASN A 79 5.442 -10.306 -3.233 1.00 0.00 N ATOM 1257 CA ASN A 79 6.111 -9.395 -4.154 1.00 0.00 C ATOM 1258 C ASN A 79 5.146 -8.326 -4.658 1.00 0.00 C ATOM 1259 O ASN A 79 4.068 -8.639 -5.164 1.00 0.00 O ATOM 1260 CB ASN A 79 6.696 -10.169 -5.337 1.00 0.00 C ATOM 1261 CG ASN A 79 8.019 -10.829 -4.998 1.00 0.00 C ATOM 1262 OD1 ASN A 79 9.063 -10.465 -5.540 1.00 0.00 O ATOM 1263 ND2 ASN A 79 7.980 -11.805 -4.099 1.00 0.00 N ATOM 0 H ASN A 79 5.444 -11.282 -3.530 1.00 0.00 H new ATOM 0 HA ASN A 79 6.921 -8.904 -3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.985 -10.930 -5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 79 6.837 -9.490 -6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.838 -12.287 -3.832 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.092 -12.073 -3.676 1.00 0.00 H new ATOM 1270 N ILE A 80 5.541 -7.066 -4.517 1.00 0.00 N ATOM 1271 CA ILE A 80 4.712 -5.951 -4.960 1.00 0.00 C ATOM 1272 C ILE A 80 5.523 -4.957 -5.785 1.00 0.00 C ATOM 1273 O ILE A 80 6.753 -5.009 -5.806 1.00 0.00 O ATOM 1274 CB ILE A 80 4.076 -5.214 -3.767 1.00 0.00 C ATOM 1275 CG1 ILE A 80 5.137 -4.412 -3.011 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.389 -6.204 -2.838 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.557 -3.378 -2.071 1.00 0.00 C ATOM 0 H ILE A 80 6.430 -6.791 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 80 3.920 -6.372 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 80 3.325 -4.520 -4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.763 -5.099 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.786 -3.913 -3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.944 -5.668 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.609 -6.735 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.121 -6.920 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.366 -2.848 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.955 -2.668 -2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.931 -3.872 -1.328 1.00 0.00 H new ATOM 1289 N ASP A 81 4.826 -4.051 -6.461 1.00 0.00 N ATOM 1290 CA ASP A 81 5.480 -3.041 -7.285 1.00 0.00 C ATOM 1291 C ASP A 81 4.622 -1.785 -7.389 1.00 0.00 C ATOM 1292 O ASP A 81 3.551 -1.783 -7.996 1.00 0.00 O ATOM 1293 CB ASP A 81 5.763 -3.598 -8.682 1.00 0.00 C ATOM 1294 CG ASP A 81 6.914 -2.886 -9.366 1.00 0.00 C ATOM 1295 OD1 ASP A 81 7.959 -2.684 -8.713 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.769 -2.532 -10.555 1.00 0.00 O ATOM 0 H ASP A 81 3.808 -3.995 -6.455 1.00 0.00 H new ATOM 0 HA ASP A 81 6.424 -2.775 -6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.990 -4.661 -8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.867 -3.506 -9.295 1.00 0.00 H new ATOM 1301 N PRO A 82 5.101 -0.689 -6.782 1.00 0.00 N ATOM 1302 CA PRO A 82 4.393 0.595 -6.791 1.00 0.00 C ATOM 1303 C PRO A 82 4.386 1.243 -8.172 1.00 0.00 C ATOM 1304 O PRO A 82 5.220 0.928 -9.021 1.00 0.00 O ATOM 1305 CB PRO A 82 5.193 1.448 -5.804 1.00 0.00 C ATOM 1306 CG PRO A 82 6.560 0.856 -5.812 1.00 0.00 C ATOM 1307 CD PRO A 82 6.371 -0.618 -6.040 1.00 0.00 C ATOM 0 HA PRO A 82 3.342 0.483 -6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.213 2.494 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.754 1.416 -4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.172 1.297 -6.599 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.072 1.042 -4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.195 -1.045 -6.612 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.318 -1.166 -5.100 1.00 0.00 H new ATOM 1315 N LYS A 83 3.441 2.151 -8.389 1.00 0.00 N ATOM 1316 CA LYS A 83 3.326 2.846 -9.666 1.00 0.00 C ATOM 1317 C LYS A 83 2.986 4.318 -9.456 1.00 0.00 C ATOM 1318 O LYS A 83 2.247 4.685 -8.542 1.00 0.00 O ATOM 1319 CB LYS A 83 2.255 2.184 -10.536 1.00 0.00 C ATOM 1320 CG LYS A 83 2.594 0.759 -10.940 1.00 0.00 C ATOM 1321 CD LYS A 83 1.983 0.400 -12.284 1.00 0.00 C ATOM 1322 CE LYS A 83 2.784 0.987 -13.435 1.00 0.00 C ATOM 1323 NZ LYS A 83 2.011 0.984 -14.708 1.00 0.00 N ATOM 0 H LYS A 83 2.743 2.423 -7.697 1.00 0.00 H new ATOM 0 HA LYS A 83 4.289 2.782 -10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.309 2.184 -9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.108 2.782 -11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.677 0.641 -10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.232 0.068 -10.179 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.938 -0.684 -12.386 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.958 0.767 -12.328 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.076 2.008 -13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.703 0.415 -13.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.592 1.392 -15.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.754 0.007 -14.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.147 1.551 -14.591 1.00 0.00 H new ATOM 1337 N PRO A 84 3.536 5.182 -10.321 1.00 0.00 N ATOM 1338 CA PRO A 84 3.304 6.628 -10.252 1.00 0.00 C ATOM 1339 C PRO A 84 1.876 7.005 -10.631 1.00 0.00 C ATOM 1340 O PRO A 84 1.498 8.176 -10.580 1.00 0.00 O ATOM 1341 CB PRO A 84 4.295 7.196 -11.270 1.00 0.00 C ATOM 1342 CG PRO A 84 4.526 6.085 -12.235 1.00 0.00 C ATOM 1343 CD PRO A 84 4.427 4.815 -11.435 1.00 0.00 C ATOM 0 HA PRO A 84 3.441 7.015 -9.242 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.889 8.076 -11.769 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.224 7.502 -10.789 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.785 6.102 -13.034 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.505 6.174 -12.706 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.014 3.998 -12.027 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.403 4.488 -11.078 1.00 0.00 H new ATOM 1351 N CYS A 85 1.087 6.006 -11.011 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.301 6.233 -11.400 1.00 0.00 C ATOM 1353 C CYS A 85 -0.381 7.138 -12.625 1.00 0.00 C ATOM 1354 O CYS A 85 -1.227 8.029 -12.698 1.00 0.00 O ATOM 1355 CB CYS A 85 -1.082 6.853 -10.241 1.00 0.00 C ATOM 1356 SG CYS A 85 -1.827 5.643 -9.122 1.00 0.00 S ATOM 0 H CYS A 85 1.384 5.031 -11.058 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.744 5.270 -11.653 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.413 7.497 -9.670 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.868 7.490 -10.646 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.122 5.727 -9.193 1.00 0.00 H new ATOM 1362 N THR A 86 0.507 6.905 -13.586 1.00 0.00 N ATOM 1363 CA THR A 86 0.539 7.700 -14.807 1.00 0.00 C ATOM 1364 C THR A 86 0.709 6.814 -16.036 1.00 0.00 C ATOM 1365 O THR A 86 1.288 5.729 -15.974 1.00 0.00 O ATOM 1366 CB THR A 86 1.679 8.735 -14.773 1.00 0.00 C ATOM 1367 OG1 THR A 86 2.925 8.084 -14.500 1.00 0.00 O ATOM 1368 CG2 THR A 86 1.414 9.797 -13.717 1.00 0.00 C ATOM 0 H THR A 86 1.214 6.171 -13.542 1.00 0.00 H new ATOM 0 HA THR A 86 -0.415 8.223 -14.869 1.00 0.00 H new ATOM 0 HB THR A 86 1.729 9.219 -15.748 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.645 8.749 -14.482 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.232 10.517 -13.712 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.480 10.311 -13.944 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.339 9.325 -12.737 1.00 0.00 H new