USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 876 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 106 THR OG1 : rot 180:sc= 0.409 USER MOD Set 1.2: A 115 THR OG1 : rot -95:sc= -4.5! USER MOD Set 2.1: A 49 ASN : amide:sc= -1.77 K(o=-7.2,f=-4.5) USER MOD Set 2.2: A 53 GLN : amide:sc= -3.97! C(o=-7.2!,f=-4.5!) USER MOD Set 2.3: A 65 MET CE :methyl -150:sc= -1.45 (180deg=-2.85!) USER MOD Set 3.1: A 44 TYR OH : rot 60:sc= 0.984 USER MOD Set 3.2: A 114 CYS SG : rot 51:sc= 0.665 USER MOD Single : A 15 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 21:sc= -3.49 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.05! C(o=-2.1!,f=-3.9!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.5) USER MOD Single : A 43 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.063) USER MOD Single : A 46 ASN : amide:sc= -0.0794 X(o=-0.079,f=-0.3) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -19:sc= 0.257 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.84 X(o=-0.84,f=-0.73) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 92 MET CE :methyl 180:sc= -5.95! (180deg=-5.95!) USER MOD Single : A 94 HIS : no HD1:sc= -0.445 X(o=-0.44,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot -4:sc= 0.986 USER MOD Single : A 107 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0249) USER MOD Single : A 112 SER OG : rot 31:sc= 0.0631 USER MOD Single : A 117 CYS SG : rot 80:sc= -7.17! USER MOD Single : A 121 LYS NZ :NH3+ 175:sc= -1.3 (180deg=-1.67) USER MOD ----------------------------------------------------------------- ATOM 151 N ASP A 12 2.286 14.490 4.385 1.00 0.00 N ATOM 152 CA ASP A 12 2.313 13.179 5.023 1.00 0.00 C ATOM 153 C ASP A 12 1.380 12.208 4.308 1.00 0.00 C ATOM 154 O ASP A 12 1.725 11.047 4.089 1.00 0.00 O ATOM 155 CB ASP A 12 1.916 13.297 6.496 1.00 0.00 C ATOM 156 CG ASP A 12 2.492 12.178 7.341 1.00 0.00 C ATOM 157 OD1 ASP A 12 3.733 12.042 7.380 1.00 0.00 O ATOM 158 OD2 ASP A 12 1.702 11.438 7.963 1.00 0.00 O ATOM 0 HA ASP A 12 3.330 12.791 4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.258 14.256 6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.829 13.288 6.578 1.00 0.00 H new ATOM 163 N ASP A 13 0.195 12.691 3.946 1.00 0.00 N ATOM 164 CA ASP A 13 -0.788 11.865 3.254 1.00 0.00 C ATOM 165 C ASP A 13 -0.226 11.344 1.935 1.00 0.00 C ATOM 166 O ASP A 13 -0.255 10.142 1.669 1.00 0.00 O ATOM 167 CB ASP A 13 -2.066 12.663 2.997 1.00 0.00 C ATOM 168 CG ASP A 13 -3.317 11.835 3.214 1.00 0.00 C ATOM 169 OD1 ASP A 13 -3.635 10.999 2.342 1.00 0.00 O ATOM 170 OD2 ASP A 13 -3.979 12.021 4.258 1.00 0.00 O ATOM 0 H ASP A 13 -0.107 13.649 4.120 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.023 11.013 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.089 13.530 3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.056 13.041 1.975 1.00 0.00 H new ATOM 175 N PHE A 14 0.290 12.254 1.117 1.00 0.00 N ATOM 176 CA PHE A 14 0.865 11.885 -0.171 1.00 0.00 C ATOM 177 C PHE A 14 2.143 11.075 0.021 1.00 0.00 C ATOM 178 O PHE A 14 2.507 10.261 -0.828 1.00 0.00 O ATOM 179 CB PHE A 14 1.154 13.135 -1.004 1.00 0.00 C ATOM 180 CG PHE A 14 -0.061 13.691 -1.691 1.00 0.00 C ATOM 181 CD1 PHE A 14 -0.563 13.089 -2.834 1.00 0.00 C ATOM 182 CD2 PHE A 14 -0.699 14.815 -1.193 1.00 0.00 C ATOM 183 CE1 PHE A 14 -1.681 13.599 -3.466 1.00 0.00 C ATOM 184 CE2 PHE A 14 -1.818 15.328 -1.821 1.00 0.00 C ATOM 185 CZ PHE A 14 -2.309 14.719 -2.959 1.00 0.00 C ATOM 0 H PHE A 14 0.322 13.253 1.323 1.00 0.00 H new ATOM 0 HA PHE A 14 0.141 11.268 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.579 13.903 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.908 12.896 -1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.076 12.213 -3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.318 15.296 -0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.063 13.122 -4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.308 16.204 -1.422 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.183 15.118 -3.452 1.00 0.00 H new ATOM 195 N GLN A 15 2.813 11.292 1.149 1.00 0.00 N ATOM 196 CA GLN A 15 4.038 10.569 1.455 1.00 0.00 C ATOM 197 C GLN A 15 3.707 9.131 1.818 1.00 0.00 C ATOM 198 O GLN A 15 4.464 8.207 1.512 1.00 0.00 O ATOM 199 CB GLN A 15 4.787 11.245 2.605 1.00 0.00 C ATOM 200 CG GLN A 15 6.152 10.635 2.885 1.00 0.00 C ATOM 201 CD GLN A 15 6.295 10.153 4.315 1.00 0.00 C ATOM 202 OE1 GLN A 15 7.197 10.577 5.038 1.00 0.00 O ATOM 203 NE2 GLN A 15 5.402 9.261 4.731 1.00 0.00 N ATOM 0 H GLN A 15 2.527 11.962 1.863 1.00 0.00 H new ATOM 0 HA GLN A 15 4.681 10.577 0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.912 12.303 2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.179 11.185 3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.318 9.799 2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.925 11.374 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.671 8.937 4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.447 8.900 5.684 1.00 0.00 H new ATOM 212 N PHE A 16 2.559 8.949 2.463 1.00 0.00 N ATOM 213 CA PHE A 16 2.114 7.624 2.855 1.00 0.00 C ATOM 214 C PHE A 16 1.900 6.758 1.620 1.00 0.00 C ATOM 215 O PHE A 16 2.187 5.561 1.628 1.00 0.00 O ATOM 216 CB PHE A 16 0.822 7.709 3.670 1.00 0.00 C ATOM 217 CG PHE A 16 0.271 6.369 4.065 1.00 0.00 C ATOM 218 CD1 PHE A 16 0.911 5.596 5.022 1.00 0.00 C ATOM 219 CD2 PHE A 16 -0.884 5.879 3.476 1.00 0.00 C ATOM 220 CE1 PHE A 16 0.408 4.361 5.384 1.00 0.00 C ATOM 221 CE2 PHE A 16 -1.392 4.644 3.836 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.744 3.885 4.791 1.00 0.00 C ATOM 0 H PHE A 16 1.924 9.703 2.723 1.00 0.00 H new ATOM 0 HA PHE A 16 2.885 7.170 3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.008 8.296 4.570 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.071 8.245 3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.813 5.963 5.490 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.393 6.468 2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.916 3.768 6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.294 4.274 3.371 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.138 2.920 5.073 1.00 0.00 H new ATOM 232 N LEU A 17 1.401 7.380 0.556 1.00 0.00 N ATOM 233 CA LEU A 17 1.158 6.675 -0.693 1.00 0.00 C ATOM 234 C LEU A 17 2.464 6.137 -1.259 1.00 0.00 C ATOM 235 O LEU A 17 2.521 5.015 -1.763 1.00 0.00 O ATOM 236 CB LEU A 17 0.480 7.600 -1.707 1.00 0.00 C ATOM 237 CG LEU A 17 -0.980 7.259 -2.008 1.00 0.00 C ATOM 238 CD1 LEU A 17 -1.860 8.491 -1.868 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.114 6.662 -3.401 1.00 0.00 C ATOM 0 H LEU A 17 1.158 8.370 0.536 1.00 0.00 H new ATOM 0 HA LEU A 17 0.493 5.835 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.530 8.623 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.045 7.571 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.313 6.517 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.894 8.226 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.791 8.874 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.526 9.258 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.160 6.426 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.760 7.380 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.518 5.751 -3.465 1.00 0.00 H new ATOM 251 N SER A 18 3.522 6.940 -1.157 1.00 0.00 N ATOM 252 CA SER A 18 4.834 6.535 -1.643 1.00 0.00 C ATOM 253 C SER A 18 5.236 5.208 -1.010 1.00 0.00 C ATOM 254 O SER A 18 5.873 4.368 -1.646 1.00 0.00 O ATOM 255 CB SER A 18 5.877 7.609 -1.327 1.00 0.00 C ATOM 256 OG SER A 18 6.701 7.867 -2.450 1.00 0.00 O ATOM 0 H SER A 18 3.494 7.872 -0.743 1.00 0.00 H new ATOM 0 HA SER A 18 4.783 6.411 -2.725 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.376 8.528 -1.021 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.492 7.287 -0.487 1.00 0.00 H new ATOM 0 HG SER A 18 7.358 8.558 -2.222 1.00 0.00 H new ATOM 262 N ASP A 19 4.839 5.025 0.246 1.00 0.00 N ATOM 263 CA ASP A 19 5.136 3.798 0.971 1.00 0.00 C ATOM 264 C ASP A 19 4.204 2.680 0.519 1.00 0.00 C ATOM 265 O ASP A 19 4.614 1.526 0.397 1.00 0.00 O ATOM 266 CB ASP A 19 4.998 4.022 2.478 1.00 0.00 C ATOM 267 CG ASP A 19 6.243 4.635 3.089 1.00 0.00 C ATOM 268 OD1 ASP A 19 7.352 4.151 2.785 1.00 0.00 O ATOM 269 OD2 ASP A 19 6.106 5.599 3.871 1.00 0.00 O ATOM 0 H ASP A 19 4.310 5.713 0.782 1.00 0.00 H new ATOM 0 HA ASP A 19 6.164 3.508 0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.145 4.673 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.788 3.070 2.966 1.00 0.00 H new ATOM 274 N VAL A 20 2.945 3.033 0.260 1.00 0.00 N ATOM 275 CA VAL A 20 1.961 2.060 -0.192 1.00 0.00 C ATOM 276 C VAL A 20 2.344 1.515 -1.558 1.00 0.00 C ATOM 277 O VAL A 20 2.549 0.313 -1.723 1.00 0.00 O ATOM 278 CB VAL A 20 0.553 2.677 -0.261 1.00 0.00 C ATOM 279 CG1 VAL A 20 -0.480 1.627 -0.648 1.00 0.00 C ATOM 280 CG2 VAL A 20 0.204 3.318 1.070 1.00 0.00 C ATOM 0 H VAL A 20 2.587 3.983 0.356 1.00 0.00 H new ATOM 0 HA VAL A 20 1.946 1.246 0.533 1.00 0.00 H new ATOM 0 HB VAL A 20 0.545 3.448 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.468 2.086 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.230 1.213 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.483 0.829 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.794 3.753 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.227 2.562 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.928 4.100 1.298 1.00 0.00 H new ATOM 290 N LEU A 21 2.467 2.413 -2.530 1.00 0.00 N ATOM 291 CA LEU A 21 2.857 2.020 -3.876 1.00 0.00 C ATOM 292 C LEU A 21 4.213 1.321 -3.839 1.00 0.00 C ATOM 293 O LEU A 21 4.545 0.534 -4.724 1.00 0.00 O ATOM 294 CB LEU A 21 2.921 3.242 -4.794 1.00 0.00 C ATOM 295 CG LEU A 21 1.686 4.143 -4.760 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.874 5.342 -5.677 1.00 0.00 C ATOM 297 CD2 LEU A 21 0.444 3.357 -5.155 1.00 0.00 C ATOM 0 H LEU A 21 2.303 3.413 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 21 2.110 1.331 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.793 3.836 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.075 2.901 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 21 1.553 4.508 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.985 5.972 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.740 5.917 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.032 4.997 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.426 4.013 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.568 2.963 -6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.299 2.531 -4.459 1.00 0.00 H new ATOM 309 N ASP A 22 4.986 1.611 -2.793 1.00 0.00 N ATOM 310 CA ASP A 22 6.299 1.010 -2.618 1.00 0.00 C ATOM 311 C ASP A 22 6.167 -0.451 -2.202 1.00 0.00 C ATOM 312 O ASP A 22 7.007 -1.281 -2.549 1.00 0.00 O ATOM 313 CB ASP A 22 7.103 1.783 -1.570 1.00 0.00 C ATOM 314 CG ASP A 22 8.047 2.792 -2.195 1.00 0.00 C ATOM 315 OD1 ASP A 22 7.653 3.437 -3.188 1.00 0.00 O ATOM 316 OD2 ASP A 22 9.180 2.937 -1.690 1.00 0.00 O ATOM 0 H ASP A 22 4.720 2.262 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 22 6.827 1.055 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.417 2.299 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.675 1.081 -0.964 1.00 0.00 H new ATOM 321 N CYS A 23 5.104 -0.760 -1.457 1.00 0.00 N ATOM 322 CA CYS A 23 4.865 -2.128 -0.998 1.00 0.00 C ATOM 323 C CYS A 23 4.996 -3.129 -2.146 1.00 0.00 C ATOM 324 O CYS A 23 5.212 -2.747 -3.297 1.00 0.00 O ATOM 325 CB CYS A 23 3.476 -2.243 -0.372 1.00 0.00 C ATOM 326 SG CYS A 23 3.157 -1.035 0.932 1.00 0.00 S ATOM 0 H CYS A 23 4.399 -0.085 -1.160 1.00 0.00 H new ATOM 0 HA CYS A 23 5.620 -2.363 -0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.725 -2.126 -1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.355 -3.246 0.038 1.00 0.00 H new ATOM 0 HG CYS A 23 3.974 -0.032 0.804 1.00 0.00 H new ATOM 332 N ARG A 24 4.862 -4.411 -1.824 1.00 0.00 N ATOM 333 CA ARG A 24 4.966 -5.464 -2.827 1.00 0.00 C ATOM 334 C ARG A 24 3.594 -6.046 -3.146 1.00 0.00 C ATOM 335 O ARG A 24 3.111 -5.945 -4.274 1.00 0.00 O ATOM 336 CB ARG A 24 5.905 -6.571 -2.338 1.00 0.00 C ATOM 337 CG ARG A 24 7.334 -6.430 -2.843 1.00 0.00 C ATOM 338 CD ARG A 24 7.844 -5.005 -2.697 1.00 0.00 C ATOM 339 NE ARG A 24 9.244 -4.879 -3.095 1.00 0.00 N ATOM 340 CZ ARG A 24 9.665 -4.947 -4.357 1.00 0.00 C ATOM 341 NH1 ARG A 24 8.798 -5.139 -5.343 1.00 0.00 N ATOM 342 NH2 ARG A 24 10.956 -4.821 -4.631 1.00 0.00 N ATOM 0 H ARG A 24 4.681 -4.746 -0.878 1.00 0.00 H new ATOM 0 HA ARG A 24 5.375 -5.027 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.913 -6.573 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.511 -7.536 -2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.984 -7.108 -2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.381 -6.728 -3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.233 -4.338 -3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.732 -4.685 -1.661 1.00 0.00 H new ATOM 0 HE ARG A 24 9.940 -4.730 -2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.804 -5.235 -5.136 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.126 -5.190 -6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.625 -4.672 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.280 -4.873 -5.597 1.00 0.00 H new ATOM 356 N ALA A 25 2.969 -6.649 -2.143 1.00 0.00 N ATOM 357 CA ALA A 25 1.650 -7.242 -2.311 1.00 0.00 C ATOM 358 C ALA A 25 0.626 -6.528 -1.437 1.00 0.00 C ATOM 359 O ALA A 25 0.915 -6.168 -0.296 1.00 0.00 O ATOM 360 CB ALA A 25 1.692 -8.727 -1.979 1.00 0.00 C ATOM 0 H ALA A 25 3.356 -6.740 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 25 1.350 -7.128 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.699 -9.157 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.395 -9.229 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.012 -8.860 -0.946 1.00 0.00 H new ATOM 366 N VAL A 26 -0.570 -6.322 -1.978 1.00 0.00 N ATOM 367 CA VAL A 26 -1.628 -5.648 -1.239 1.00 0.00 C ATOM 368 C VAL A 26 -2.885 -6.507 -1.167 1.00 0.00 C ATOM 369 O VAL A 26 -3.403 -6.962 -2.187 1.00 0.00 O ATOM 370 CB VAL A 26 -1.964 -4.271 -1.857 1.00 0.00 C ATOM 371 CG1 VAL A 26 -2.020 -4.350 -3.366 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.268 -3.715 -1.293 1.00 0.00 C ATOM 0 H VAL A 26 -0.829 -6.611 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.257 -5.488 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.163 -3.584 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.258 -3.367 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.053 -4.677 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.789 -5.063 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.477 -2.746 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.083 -4.403 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.177 -3.598 -0.213 1.00 0.00 H new ATOM 382 N ARG A 27 -3.366 -6.721 0.053 1.00 0.00 N ATOM 383 CA ARG A 27 -4.562 -7.521 0.279 1.00 0.00 C ATOM 384 C ARG A 27 -5.378 -6.949 1.434 1.00 0.00 C ATOM 385 O ARG A 27 -5.033 -5.910 1.995 1.00 0.00 O ATOM 386 CB ARG A 27 -4.176 -8.974 0.580 1.00 0.00 C ATOM 387 CG ARG A 27 -4.323 -9.911 -0.611 1.00 0.00 C ATOM 388 CD ARG A 27 -5.689 -9.782 -1.268 1.00 0.00 C ATOM 389 NE ARG A 27 -5.606 -9.118 -2.568 1.00 0.00 N ATOM 390 CZ ARG A 27 -6.250 -7.993 -2.880 1.00 0.00 C ATOM 391 NH1 ARG A 27 -7.047 -7.399 -1.999 1.00 0.00 N ATOM 392 NH2 ARG A 27 -6.097 -7.460 -4.084 1.00 0.00 N ATOM 0 H ARG A 27 -2.943 -6.349 0.903 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.171 -7.494 -0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.143 -9.001 0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.795 -9.342 1.398 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.546 -9.692 -1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.173 -10.940 -0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.127 -10.772 -1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.355 -9.219 -0.614 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.017 -9.544 -3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.172 -7.803 -1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.534 -6.539 -2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.489 -7.910 -4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.588 -6.599 -4.327 1.00 0.00 H new ATOM 406 N SER A 28 -6.460 -7.636 1.785 1.00 0.00 N ATOM 407 CA SER A 28 -7.322 -7.194 2.875 1.00 0.00 C ATOM 408 C SER A 28 -7.191 -8.121 4.078 1.00 0.00 C ATOM 409 O SER A 28 -7.213 -9.343 3.936 1.00 0.00 O ATOM 410 CB SER A 28 -8.779 -7.143 2.412 1.00 0.00 C ATOM 411 OG SER A 28 -9.370 -8.431 2.441 1.00 0.00 O ATOM 0 H SER A 28 -6.760 -8.499 1.332 1.00 0.00 H new ATOM 0 HA SER A 28 -7.008 -6.193 3.172 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.344 -6.466 3.053 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.828 -6.740 1.401 1.00 0.00 H new ATOM 0 HG SER A 28 -10.301 -8.370 2.142 1.00 0.00 H new ATOM 417 N ALA A 29 -7.055 -7.533 5.262 1.00 0.00 N ATOM 418 CA ALA A 29 -6.921 -8.310 6.489 1.00 0.00 C ATOM 419 C ALA A 29 -8.116 -9.236 6.675 1.00 0.00 C ATOM 420 O ALA A 29 -7.958 -10.406 7.024 1.00 0.00 O ATOM 421 CB ALA A 29 -6.769 -7.384 7.687 1.00 0.00 C ATOM 0 H ALA A 29 -7.035 -6.522 5.398 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.025 -8.925 6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.670 -7.978 8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.880 -6.766 7.559 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.648 -6.744 7.766 1.00 0.00 H new ATOM 427 N MET A 30 -9.313 -8.707 6.434 1.00 0.00 N ATOM 428 CA MET A 30 -10.534 -9.494 6.569 1.00 0.00 C ATOM 429 C MET A 30 -10.458 -10.763 5.721 1.00 0.00 C ATOM 430 O MET A 30 -11.106 -11.764 6.024 1.00 0.00 O ATOM 431 CB MET A 30 -11.751 -8.662 6.158 1.00 0.00 C ATOM 432 CG MET A 30 -12.443 -7.979 7.326 1.00 0.00 C ATOM 433 SD MET A 30 -14.218 -7.795 7.069 1.00 0.00 S ATOM 434 CE MET A 30 -14.841 -9.213 7.968 1.00 0.00 C ATOM 0 H MET A 30 -9.463 -7.740 6.145 1.00 0.00 H new ATOM 0 HA MET A 30 -10.638 -9.782 7.615 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.437 -7.905 5.439 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.467 -9.307 5.649 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.269 -8.556 8.234 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.998 -6.996 7.483 1.00 0.00 H new ATOM 0 HE1 MET A 30 -15.929 -9.237 7.902 1.00 0.00 H new ATOM 0 HE2 MET A 30 -14.431 -10.126 7.537 1.00 0.00 H new ATOM 0 HE3 MET A 30 -14.543 -9.140 9.014 1.00 0.00 H new ATOM 444 N ASN A 31 -9.657 -10.711 4.660 1.00 0.00 N ATOM 445 CA ASN A 31 -9.487 -11.851 3.768 1.00 0.00 C ATOM 446 C ASN A 31 -8.146 -11.769 3.042 1.00 0.00 C ATOM 447 O ASN A 31 -8.095 -11.577 1.827 1.00 0.00 O ATOM 448 CB ASN A 31 -10.631 -11.908 2.753 1.00 0.00 C ATOM 449 CG ASN A 31 -10.901 -13.318 2.265 1.00 0.00 C ATOM 450 OD1 ASN A 31 -10.090 -13.905 1.549 1.00 0.00 O ATOM 451 ND2 ASN A 31 -12.045 -13.869 2.652 1.00 0.00 N ATOM 0 H ASN A 31 -9.114 -9.888 4.398 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.503 -12.761 4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.536 -11.504 3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.390 -11.272 1.902 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.281 -14.816 2.355 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.688 -13.345 3.246 1.00 0.00 H new ATOM 458 N LEU A 32 -7.064 -11.911 3.799 1.00 0.00 N ATOM 459 CA LEU A 32 -5.719 -11.849 3.236 1.00 0.00 C ATOM 460 C LEU A 32 -5.434 -13.051 2.337 1.00 0.00 C ATOM 461 O LEU A 32 -4.503 -13.025 1.532 1.00 0.00 O ATOM 462 CB LEU A 32 -4.680 -11.780 4.361 1.00 0.00 C ATOM 463 CG LEU A 32 -3.790 -10.535 4.346 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.787 -10.583 5.488 1.00 0.00 C ATOM 465 CD2 LEU A 32 -3.071 -10.410 3.011 1.00 0.00 C ATOM 0 H LEU A 32 -7.091 -12.070 4.806 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.653 -10.948 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.200 -11.825 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.044 -12.663 4.302 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.423 -9.658 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.163 -9.690 5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.319 -10.626 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.159 -11.468 5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.443 -9.519 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.450 -11.291 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.805 -10.330 2.209 1.00 0.00 H new ATOM 477 N ARG A 33 -6.230 -14.106 2.484 1.00 0.00 N ATOM 478 CA ARG A 33 -6.047 -15.315 1.688 1.00 0.00 C ATOM 479 C ARG A 33 -6.815 -15.251 0.368 1.00 0.00 C ATOM 480 O ARG A 33 -6.960 -16.262 -0.319 1.00 0.00 O ATOM 481 CB ARG A 33 -6.491 -16.542 2.485 1.00 0.00 C ATOM 482 CG ARG A 33 -5.599 -16.850 3.678 1.00 0.00 C ATOM 483 CD ARG A 33 -6.391 -16.889 4.976 1.00 0.00 C ATOM 484 NE ARG A 33 -5.531 -17.119 6.135 1.00 0.00 N ATOM 485 CZ ARG A 33 -5.924 -16.943 7.394 1.00 0.00 C ATOM 486 NH1 ARG A 33 -7.159 -16.537 7.662 1.00 0.00 N ATOM 487 NH2 ARG A 33 -5.079 -17.175 8.390 1.00 0.00 N ATOM 0 H ARG A 33 -7.006 -14.148 3.145 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.986 -15.394 1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.511 -16.387 2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.509 -17.408 1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.104 -17.809 3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.816 -16.095 3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.926 -15.948 5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.142 -17.677 4.919 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.575 -17.432 5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.814 -16.358 6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.454 -16.404 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.129 -17.488 8.190 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.379 -17.040 9.355 1.00 0.00 H new ATOM 501 N ALA A 34 -7.308 -14.066 0.009 1.00 0.00 N ATOM 502 CA ALA A 34 -8.055 -13.904 -1.236 1.00 0.00 C ATOM 503 C ALA A 34 -8.488 -12.456 -1.448 1.00 0.00 C ATOM 504 O ALA A 34 -8.871 -11.766 -0.504 1.00 0.00 O ATOM 505 CB ALA A 34 -9.269 -14.821 -1.245 1.00 0.00 C ATOM 0 H ALA A 34 -7.205 -13.212 0.557 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.393 -14.177 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.817 -14.690 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.943 -15.857 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.918 -14.573 -0.405 1.00 0.00 H new ATOM 511 N ALA A 35 -8.430 -12.007 -2.698 1.00 0.00 N ATOM 512 CA ALA A 35 -8.824 -10.645 -3.043 1.00 0.00 C ATOM 513 C ALA A 35 -10.339 -10.539 -3.177 1.00 0.00 C ATOM 514 O ALA A 35 -11.052 -11.534 -3.045 1.00 0.00 O ATOM 515 CB ALA A 35 -8.147 -10.209 -4.333 1.00 0.00 C ATOM 0 H ALA A 35 -8.114 -12.567 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.504 -9.982 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.451 -9.191 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.065 -10.244 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.439 -10.879 -5.142 1.00 0.00 H new ATOM 521 N LEU A 36 -10.828 -9.332 -3.440 1.00 0.00 N ATOM 522 CA LEU A 36 -12.262 -9.114 -3.590 1.00 0.00 C ATOM 523 C LEU A 36 -12.706 -9.407 -5.018 1.00 0.00 C ATOM 524 O LEU A 36 -13.416 -10.382 -5.265 1.00 0.00 O ATOM 525 CB LEU A 36 -12.605 -7.676 -3.206 1.00 0.00 C ATOM 526 CG LEU A 36 -12.201 -7.281 -1.783 1.00 0.00 C ATOM 527 CD1 LEU A 36 -10.789 -6.718 -1.767 1.00 0.00 C ATOM 528 CD2 LEU A 36 -13.184 -6.273 -1.207 1.00 0.00 C ATOM 0 H LEU A 36 -10.257 -8.495 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.794 -9.796 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.117 -7.000 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.679 -7.531 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.223 -8.175 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.519 -6.443 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.093 -7.471 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.742 -5.836 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.879 -6.005 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.196 -5.379 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.182 -6.711 -1.181 1.00 0.00 H new ATOM 540 N THR A 37 -12.263 -8.578 -5.955 1.00 0.00 N ATOM 541 CA THR A 37 -12.597 -8.773 -7.364 1.00 0.00 C ATOM 542 C THR A 37 -11.956 -7.689 -8.230 1.00 0.00 C ATOM 543 O THR A 37 -11.216 -6.841 -7.734 1.00 0.00 O ATOM 544 CB THR A 37 -14.123 -8.823 -7.562 1.00 0.00 C ATOM 545 OG1 THR A 37 -14.459 -9.721 -8.605 1.00 0.00 O ATOM 546 CG2 THR A 37 -14.761 -7.490 -7.893 1.00 0.00 C ATOM 0 H THR A 37 -11.674 -7.767 -5.768 1.00 0.00 H new ATOM 0 HA THR A 37 -12.190 -9.733 -7.683 1.00 0.00 H new ATOM 0 HB THR A 37 -14.512 -9.149 -6.597 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.432 -9.743 -8.717 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.836 -7.621 -8.015 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.571 -6.785 -7.084 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.336 -7.103 -8.819 1.00 0.00 H new ATOM 554 N SER A 38 -12.236 -7.730 -9.529 1.00 0.00 N ATOM 555 CA SER A 38 -11.677 -6.759 -10.466 1.00 0.00 C ATOM 556 C SER A 38 -12.001 -5.326 -10.047 1.00 0.00 C ATOM 557 O SER A 38 -11.140 -4.610 -9.537 1.00 0.00 O ATOM 558 CB SER A 38 -12.207 -7.020 -11.877 1.00 0.00 C ATOM 559 OG SER A 38 -11.340 -7.881 -12.596 1.00 0.00 O ATOM 0 H SER A 38 -12.847 -8.425 -9.958 1.00 0.00 H new ATOM 0 HA SER A 38 -10.593 -6.877 -10.458 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.201 -7.465 -11.819 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.311 -6.075 -12.410 1.00 0.00 H new ATOM 0 HG SER A 38 -11.702 -8.034 -13.494 1.00 0.00 H new ATOM 565 N PHE A 39 -13.242 -4.913 -10.279 1.00 0.00 N ATOM 566 CA PHE A 39 -13.681 -3.562 -9.939 1.00 0.00 C ATOM 567 C PHE A 39 -13.378 -3.221 -8.482 1.00 0.00 C ATOM 568 O PHE A 39 -13.020 -2.087 -8.163 1.00 0.00 O ATOM 569 CB PHE A 39 -15.179 -3.410 -10.207 1.00 0.00 C ATOM 570 CG PHE A 39 -16.034 -4.301 -9.351 1.00 0.00 C ATOM 571 CD1 PHE A 39 -16.359 -3.935 -8.054 1.00 0.00 C ATOM 572 CD2 PHE A 39 -16.515 -5.502 -9.845 1.00 0.00 C ATOM 573 CE1 PHE A 39 -17.147 -4.751 -7.266 1.00 0.00 C ATOM 574 CE2 PHE A 39 -17.304 -6.324 -9.061 1.00 0.00 C ATOM 575 CZ PHE A 39 -17.619 -5.947 -7.770 1.00 0.00 C ATOM 0 H PHE A 39 -13.965 -5.495 -10.702 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.126 -2.867 -10.570 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -15.467 -2.372 -10.038 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.376 -3.629 -11.256 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -15.992 -3.001 -7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.271 -5.800 -10.854 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -17.394 -4.454 -6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.673 -7.258 -9.457 1.00 0.00 H new ATOM 0 HZ PHE A 39 -18.234 -6.587 -7.155 1.00 0.00 H new ATOM 585 N GLN A 40 -13.531 -4.203 -7.599 1.00 0.00 N ATOM 586 CA GLN A 40 -13.280 -3.995 -6.176 1.00 0.00 C ATOM 587 C GLN A 40 -11.875 -3.454 -5.938 1.00 0.00 C ATOM 588 O GLN A 40 -11.707 -2.371 -5.377 1.00 0.00 O ATOM 589 CB GLN A 40 -13.487 -5.290 -5.393 1.00 0.00 C ATOM 590 CG GLN A 40 -14.433 -5.129 -4.215 1.00 0.00 C ATOM 591 CD GLN A 40 -15.824 -5.661 -4.501 1.00 0.00 C ATOM 592 OE1 GLN A 40 -15.984 -6.704 -5.134 1.00 0.00 O ATOM 593 NE2 GLN A 40 -16.839 -4.944 -4.033 1.00 0.00 N ATOM 0 H GLN A 40 -13.827 -5.148 -7.842 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.996 -3.254 -5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.878 -6.055 -6.064 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.523 -5.647 -5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.021 -5.649 -3.350 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.500 -4.074 -3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.660 -4.085 -3.513 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.798 -5.252 -4.193 1.00 0.00 H new ATOM 602 N VAL A 41 -10.870 -4.205 -6.371 1.00 0.00 N ATOM 603 CA VAL A 41 -9.484 -3.782 -6.205 1.00 0.00 C ATOM 604 C VAL A 41 -9.256 -2.420 -6.853 1.00 0.00 C ATOM 605 O VAL A 41 -8.549 -1.571 -6.309 1.00 0.00 O ATOM 606 CB VAL A 41 -8.502 -4.805 -6.813 1.00 0.00 C ATOM 607 CG1 VAL A 41 -7.065 -4.315 -6.690 1.00 0.00 C ATOM 608 CG2 VAL A 41 -8.665 -6.161 -6.144 1.00 0.00 C ATOM 0 H VAL A 41 -10.987 -5.105 -6.837 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.295 -3.713 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.733 -4.913 -7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.391 -5.052 -7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.957 -3.368 -7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.818 -4.174 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.965 -6.871 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.463 -6.067 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.684 -6.519 -6.290 1.00 0.00 H new ATOM 618 N ALA A 42 -9.868 -2.216 -8.015 1.00 0.00 N ATOM 619 CA ALA A 42 -9.739 -0.957 -8.735 1.00 0.00 C ATOM 620 C ALA A 42 -10.369 0.184 -7.946 1.00 0.00 C ATOM 621 O ALA A 42 -9.914 1.327 -8.018 1.00 0.00 O ATOM 622 CB ALA A 42 -10.379 -1.069 -10.111 1.00 0.00 C ATOM 0 H ALA A 42 -10.458 -2.908 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.678 -0.739 -8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.276 -0.121 -10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.884 -1.857 -10.679 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.436 -1.310 -10.002 1.00 0.00 H new ATOM 628 N GLN A 43 -11.414 -0.132 -7.186 1.00 0.00 N ATOM 629 CA GLN A 43 -12.100 0.868 -6.376 1.00 0.00 C ATOM 630 C GLN A 43 -11.123 1.539 -5.420 1.00 0.00 C ATOM 631 O GLN A 43 -10.968 2.760 -5.429 1.00 0.00 O ATOM 632 CB GLN A 43 -13.244 0.224 -5.590 1.00 0.00 C ATOM 633 CG GLN A 43 -14.434 1.145 -5.382 1.00 0.00 C ATOM 634 CD GLN A 43 -15.760 0.420 -5.501 1.00 0.00 C ATOM 635 OE1 GLN A 43 -16.617 0.521 -4.622 1.00 0.00 O ATOM 636 NE2 GLN A 43 -15.935 -0.319 -6.590 1.00 0.00 N ATOM 0 H GLN A 43 -11.803 -1.072 -7.115 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.514 1.625 -7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.576 -0.671 -6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.870 -0.097 -4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.364 1.607 -4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.398 1.951 -6.115 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.198 -0.374 -7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -16.807 -0.832 -6.724 1.00 0.00 H new ATOM 645 N TYR A 44 -10.455 0.729 -4.604 1.00 0.00 N ATOM 646 CA TYR A 44 -9.479 1.238 -3.651 1.00 0.00 C ATOM 647 C TYR A 44 -8.372 1.992 -4.381 1.00 0.00 C ATOM 648 O TYR A 44 -7.870 3.008 -3.898 1.00 0.00 O ATOM 649 CB TYR A 44 -8.888 0.082 -2.836 1.00 0.00 C ATOM 650 CG TYR A 44 -7.763 0.485 -1.906 1.00 0.00 C ATOM 651 CD1 TYR A 44 -7.676 1.776 -1.397 1.00 0.00 C ATOM 652 CD2 TYR A 44 -6.788 -0.433 -1.534 1.00 0.00 C ATOM 653 CE1 TYR A 44 -6.649 2.140 -0.547 1.00 0.00 C ATOM 654 CE2 TYR A 44 -5.758 -0.077 -0.685 1.00 0.00 C ATOM 655 CZ TYR A 44 -5.693 1.210 -0.194 1.00 0.00 C ATOM 656 OH TYR A 44 -4.670 1.569 0.652 1.00 0.00 O ATOM 0 H TYR A 44 -10.573 -0.284 -4.585 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.978 1.928 -2.970 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.683 -0.376 -2.248 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.520 -0.680 -3.523 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.423 2.506 -1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.836 -1.442 -1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.595 3.147 -0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.008 -0.803 -0.407 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.043 1.870 1.507 1.00 0.00 H new ATOM 666 N ARG A 45 -8.007 1.489 -5.556 1.00 0.00 N ATOM 667 CA ARG A 45 -6.971 2.112 -6.368 1.00 0.00 C ATOM 668 C ARG A 45 -7.405 3.504 -6.811 1.00 0.00 C ATOM 669 O ARG A 45 -6.584 4.413 -6.939 1.00 0.00 O ATOM 670 CB ARG A 45 -6.667 1.248 -7.595 1.00 0.00 C ATOM 671 CG ARG A 45 -5.845 0.008 -7.282 1.00 0.00 C ATOM 672 CD ARG A 45 -5.381 -0.682 -8.555 1.00 0.00 C ATOM 673 NE ARG A 45 -5.282 -2.130 -8.389 1.00 0.00 N ATOM 674 CZ ARG A 45 -5.277 -2.994 -9.402 1.00 0.00 C ATOM 675 NH1 ARG A 45 -5.361 -2.560 -10.655 1.00 0.00 N ATOM 676 NH2 ARG A 45 -5.187 -4.294 -9.163 1.00 0.00 N ATOM 0 H ARG A 45 -8.415 0.649 -5.967 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.069 2.201 -5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.607 0.943 -8.055 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.133 1.851 -8.329 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.980 0.285 -6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.440 -0.685 -6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.077 -0.457 -9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.410 -0.284 -8.850 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.213 -2.501 -7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.430 -1.560 -10.845 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.357 -3.227 -11.427 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.122 -4.633 -8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.183 -4.956 -9.939 1.00 0.00 H new ATOM 690 N ASN A 46 -8.703 3.661 -7.045 1.00 0.00 N ATOM 691 CA ASN A 46 -9.257 4.939 -7.474 1.00 0.00 C ATOM 692 C ASN A 46 -9.267 5.940 -6.323 1.00 0.00 C ATOM 693 O ASN A 46 -9.138 7.145 -6.537 1.00 0.00 O ATOM 694 CB ASN A 46 -10.675 4.748 -8.015 1.00 0.00 C ATOM 695 CG ASN A 46 -10.885 5.444 -9.346 1.00 0.00 C ATOM 696 OD1 ASN A 46 -10.045 5.361 -10.243 1.00 0.00 O ATOM 697 ND2 ASN A 46 -12.010 6.136 -9.481 1.00 0.00 N ATOM 0 H ASN A 46 -9.393 2.916 -6.944 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.624 5.334 -8.269 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.877 3.683 -8.129 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.392 5.132 -7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.206 6.626 -10.354 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.678 6.178 -8.712 1.00 0.00 H new ATOM 704 N ILE A 47 -9.417 5.435 -5.102 1.00 0.00 N ATOM 705 CA ILE A 47 -9.440 6.291 -3.921 1.00 0.00 C ATOM 706 C ILE A 47 -8.157 7.111 -3.823 1.00 0.00 C ATOM 707 O ILE A 47 -8.191 8.341 -3.854 1.00 0.00 O ATOM 708 CB ILE A 47 -9.619 5.466 -2.629 1.00 0.00 C ATOM 709 CG1 ILE A 47 -10.877 4.600 -2.722 1.00 0.00 C ATOM 710 CG2 ILE A 47 -9.690 6.382 -1.413 1.00 0.00 C ATOM 711 CD1 ILE A 47 -11.055 3.663 -1.547 1.00 0.00 C ATOM 0 H ILE A 47 -9.524 4.440 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.292 6.963 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.755 4.812 -2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.750 5.249 -2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.838 4.014 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.816 5.782 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.769 6.959 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.536 7.061 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.967 3.081 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.200 2.990 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.126 4.243 -0.627 1.00 0.00 H new ATOM 723 N LEU A 48 -7.026 6.422 -3.712 1.00 0.00 N ATOM 724 CA LEU A 48 -5.737 7.094 -3.617 1.00 0.00 C ATOM 725 C LEU A 48 -5.393 7.777 -4.937 1.00 0.00 C ATOM 726 O LEU A 48 -4.903 8.906 -4.955 1.00 0.00 O ATOM 727 CB LEU A 48 -4.636 6.099 -3.240 1.00 0.00 C ATOM 728 CG LEU A 48 -4.956 5.162 -2.066 1.00 0.00 C ATOM 729 CD1 LEU A 48 -3.691 4.847 -1.285 1.00 0.00 C ATOM 730 CD2 LEU A 48 -6.007 5.769 -1.145 1.00 0.00 C ATOM 0 H LEU A 48 -6.976 5.404 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.805 7.851 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.408 5.490 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.733 6.660 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.361 4.236 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.932 4.182 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.969 4.361 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.263 5.771 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.212 5.082 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.638 6.713 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.924 5.947 -1.707 1.00 0.00 H new ATOM 742 N ASN A 49 -5.657 7.084 -6.040 1.00 0.00 N ATOM 743 CA ASN A 49 -5.380 7.624 -7.364 1.00 0.00 C ATOM 744 C ASN A 49 -6.184 8.899 -7.605 1.00 0.00 C ATOM 745 O ASN A 49 -5.747 9.792 -8.332 1.00 0.00 O ATOM 746 CB ASN A 49 -5.705 6.586 -8.441 1.00 0.00 C ATOM 747 CG ASN A 49 -5.425 7.097 -9.840 1.00 0.00 C ATOM 748 OD1 ASN A 49 -4.406 6.763 -10.444 1.00 0.00 O ATOM 749 ND2 ASN A 49 -6.333 7.913 -10.362 1.00 0.00 N ATOM 0 H ASN A 49 -6.062 6.148 -6.042 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.319 7.868 -7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.118 5.685 -8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.755 6.303 -8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.200 8.290 -11.300 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.163 8.163 -9.825 1.00 0.00 H new ATOM 756 N ALA A 50 -7.360 8.979 -6.988 1.00 0.00 N ATOM 757 CA ALA A 50 -8.220 10.147 -7.134 1.00 0.00 C ATOM 758 C ALA A 50 -7.649 11.345 -6.385 1.00 0.00 C ATOM 759 O ALA A 50 -7.891 12.490 -6.756 1.00 0.00 O ATOM 760 CB ALA A 50 -9.628 9.843 -6.655 1.00 0.00 C ATOM 0 H ALA A 50 -7.738 8.249 -6.383 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.263 10.399 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.252 10.729 -6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.044 9.025 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.601 9.556 -5.604 1.00 0.00 H new ATOM 766 N SER A 51 -6.895 11.072 -5.329 1.00 0.00 N ATOM 767 CA SER A 51 -6.288 12.129 -4.530 1.00 0.00 C ATOM 768 C SER A 51 -5.202 12.851 -5.325 1.00 0.00 C ATOM 769 O SER A 51 -4.979 14.049 -5.151 1.00 0.00 O ATOM 770 CB SER A 51 -5.695 11.546 -3.245 1.00 0.00 C ATOM 771 OG SER A 51 -5.550 12.546 -2.250 1.00 0.00 O ATOM 0 H SER A 51 -6.689 10.127 -5.005 1.00 0.00 H new ATOM 0 HA SER A 51 -7.063 12.849 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.339 10.749 -2.873 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.725 11.098 -3.459 1.00 0.00 H new ATOM 0 HG SER A 51 -5.171 12.148 -1.439 1.00 0.00 H new ATOM 777 N LEU A 52 -4.521 12.103 -6.186 1.00 0.00 N ATOM 778 CA LEU A 52 -3.440 12.654 -7.006 1.00 0.00 C ATOM 779 C LEU A 52 -3.942 13.750 -7.947 1.00 0.00 C ATOM 780 O LEU A 52 -3.438 14.873 -7.929 1.00 0.00 O ATOM 781 CB LEU A 52 -2.769 11.544 -7.826 1.00 0.00 C ATOM 782 CG LEU A 52 -2.805 10.146 -7.199 1.00 0.00 C ATOM 783 CD1 LEU A 52 -1.941 9.180 -7.992 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.347 10.200 -5.750 1.00 0.00 C ATOM 0 H LEU A 52 -4.697 11.110 -6.337 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.713 13.096 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.250 11.497 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.728 11.820 -7.996 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.834 9.787 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.980 8.193 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.311 9.117 -9.015 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.911 9.536 -8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.379 9.199 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.327 10.582 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.006 10.858 -5.184 1.00 0.00 H new ATOM 796 N GLN A 53 -4.925 13.415 -8.779 1.00 0.00 N ATOM 797 CA GLN A 53 -5.481 14.370 -9.741 1.00 0.00 C ATOM 798 C GLN A 53 -5.836 15.702 -9.082 1.00 0.00 C ATOM 799 O GLN A 53 -5.854 16.741 -9.741 1.00 0.00 O ATOM 800 CB GLN A 53 -6.718 13.789 -10.434 1.00 0.00 C ATOM 801 CG GLN A 53 -7.638 13.006 -9.517 1.00 0.00 C ATOM 802 CD GLN A 53 -8.118 11.718 -10.151 1.00 0.00 C ATOM 803 OE1 GLN A 53 -9.273 11.603 -10.561 1.00 0.00 O ATOM 804 NE2 GLN A 53 -7.226 10.736 -10.234 1.00 0.00 N ATOM 0 H GLN A 53 -5.355 12.490 -8.808 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.707 14.557 -10.486 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.283 14.604 -10.886 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.393 13.138 -11.245 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.115 12.779 -8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.498 13.623 -9.255 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.279 10.876 -9.881 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.488 9.843 -10.651 1.00 0.00 H new ATOM 813 N VAL A 54 -6.116 15.671 -7.785 1.00 0.00 N ATOM 814 CA VAL A 54 -6.468 16.885 -7.055 1.00 0.00 C ATOM 815 C VAL A 54 -5.314 17.359 -6.176 1.00 0.00 C ATOM 816 O VAL A 54 -5.520 18.091 -5.207 1.00 0.00 O ATOM 817 CB VAL A 54 -7.721 16.684 -6.179 1.00 0.00 C ATOM 818 CG1 VAL A 54 -8.983 16.821 -7.017 1.00 0.00 C ATOM 819 CG2 VAL A 54 -7.682 15.333 -5.483 1.00 0.00 C ATOM 0 H VAL A 54 -6.107 14.823 -7.218 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.683 17.645 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.731 17.459 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.858 16.676 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.018 17.815 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.979 16.070 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.576 15.213 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.645 14.540 -6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.797 15.276 -4.849 1.00 0.00 H new ATOM 829 N ASP A 55 -4.099 16.943 -6.522 1.00 0.00 N ATOM 830 CA ASP A 55 -2.914 17.331 -5.766 1.00 0.00 C ATOM 831 C ASP A 55 -2.268 18.573 -6.371 1.00 0.00 C ATOM 832 O ASP A 55 -2.497 18.897 -7.536 1.00 0.00 O ATOM 833 CB ASP A 55 -1.906 16.182 -5.732 1.00 0.00 C ATOM 834 CG ASP A 55 -0.733 16.469 -4.814 1.00 0.00 C ATOM 835 OD1 ASP A 55 -0.948 17.095 -3.755 1.00 0.00 O ATOM 836 OD2 ASP A 55 0.400 16.068 -5.154 1.00 0.00 O ATOM 0 H ASP A 55 -3.910 16.338 -7.321 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.223 17.563 -4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.407 15.272 -5.403 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.537 15.996 -6.741 1.00 0.00 H new ATOM 841 N ARG A 56 -1.462 19.265 -5.573 1.00 0.00 N ATOM 842 CA ARG A 56 -0.784 20.472 -6.033 1.00 0.00 C ATOM 843 C ARG A 56 0.309 20.132 -7.041 1.00 0.00 C ATOM 844 O ARG A 56 0.425 20.773 -8.085 1.00 0.00 O ATOM 845 CB ARG A 56 -0.183 21.228 -4.846 1.00 0.00 C ATOM 846 CG ARG A 56 -1.202 22.038 -4.062 1.00 0.00 C ATOM 847 CD ARG A 56 -1.055 23.529 -4.325 1.00 0.00 C ATOM 848 NE ARG A 56 -2.124 24.302 -3.697 1.00 0.00 N ATOM 849 CZ ARG A 56 -2.225 24.501 -2.385 1.00 0.00 C ATOM 850 NH1 ARG A 56 -1.323 23.986 -1.558 1.00 0.00 N ATOM 851 NH2 ARG A 56 -3.229 25.217 -1.897 1.00 0.00 N ATOM 0 H ARG A 56 -1.262 19.011 -4.605 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.521 21.108 -6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.295 20.514 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.598 21.896 -5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.208 21.718 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.081 21.842 -2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.091 23.871 -3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.060 23.710 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.836 24.714 -4.300 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.548 23.435 -1.927 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.405 24.141 -0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.925 25.616 -2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.305 25.369 -0.891 1.00 0.00 H new ATOM 865 N ASP A 57 1.107 19.119 -6.722 1.00 0.00 N ATOM 866 CA ASP A 57 2.191 18.694 -7.600 1.00 0.00 C ATOM 867 C ASP A 57 1.676 17.746 -8.680 1.00 0.00 C ATOM 868 O ASP A 57 1.573 16.539 -8.462 1.00 0.00 O ATOM 869 CB ASP A 57 3.294 18.012 -6.789 1.00 0.00 C ATOM 870 CG ASP A 57 4.681 18.358 -7.295 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.984 18.037 -8.464 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.465 18.949 -6.522 1.00 0.00 O ATOM 0 H ASP A 57 1.024 18.577 -5.862 1.00 0.00 H new ATOM 0 HA ASP A 57 2.602 19.580 -8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.208 18.307 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.155 16.932 -6.828 1.00 0.00 H new ATOM 877 N ALA A 58 1.356 18.302 -9.843 1.00 0.00 N ATOM 878 CA ALA A 58 0.853 17.507 -10.957 1.00 0.00 C ATOM 879 C ALA A 58 1.926 16.563 -11.488 1.00 0.00 C ATOM 880 O ALA A 58 1.620 15.486 -12.001 1.00 0.00 O ATOM 881 CB ALA A 58 0.350 18.416 -12.068 1.00 0.00 C ATOM 0 H ALA A 58 1.436 19.300 -10.039 1.00 0.00 H new ATOM 0 HA ALA A 58 0.023 16.902 -10.593 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.023 17.810 -12.894 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.455 19.045 -11.687 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.167 19.046 -12.420 1.00 0.00 H new ATOM 887 N ALA A 59 3.184 16.973 -11.364 1.00 0.00 N ATOM 888 CA ALA A 59 4.302 16.163 -11.833 1.00 0.00 C ATOM 889 C ALA A 59 4.535 14.964 -10.920 1.00 0.00 C ATOM 890 O ALA A 59 4.822 13.862 -11.387 1.00 0.00 O ATOM 891 CB ALA A 59 5.562 17.011 -11.928 1.00 0.00 C ATOM 0 H ALA A 59 3.455 17.862 -10.943 1.00 0.00 H new ATOM 0 HA ALA A 59 4.055 15.785 -12.825 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.390 16.395 -12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.397 17.830 -12.628 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.803 17.416 -10.945 1.00 0.00 H new ATOM 897 N ARG A 60 4.411 15.188 -9.617 1.00 0.00 N ATOM 898 CA ARG A 60 4.609 14.125 -8.637 1.00 0.00 C ATOM 899 C ARG A 60 3.445 13.139 -8.660 1.00 0.00 C ATOM 900 O ARG A 60 3.624 11.948 -8.405 1.00 0.00 O ATOM 901 CB ARG A 60 4.767 14.720 -7.235 1.00 0.00 C ATOM 902 CG ARG A 60 6.061 14.319 -6.546 1.00 0.00 C ATOM 903 CD ARG A 60 7.091 15.435 -6.601 1.00 0.00 C ATOM 904 NE ARG A 60 8.102 15.298 -5.554 1.00 0.00 N ATOM 905 CZ ARG A 60 7.887 15.591 -4.273 1.00 0.00 C ATOM 906 NH1 ARG A 60 6.700 16.036 -3.877 1.00 0.00 N ATOM 907 NH2 ARG A 60 8.860 15.439 -3.386 1.00 0.00 N ATOM 0 H ARG A 60 4.175 16.095 -9.214 1.00 0.00 H new ATOM 0 HA ARG A 60 5.520 13.586 -8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.724 15.807 -7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.925 14.406 -6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.856 14.062 -5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.466 13.425 -7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.577 15.433 -7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.589 16.397 -6.497 1.00 0.00 H new ATOM 0 HE ARG A 60 9.026 14.958 -5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.948 16.155 -4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.541 16.259 -2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.774 15.098 -3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.695 15.663 -2.405 1.00 0.00 H new ATOM 921 N SER A 61 2.253 13.643 -8.963 1.00 0.00 N ATOM 922 CA SER A 61 1.061 12.805 -9.016 1.00 0.00 C ATOM 923 C SER A 61 1.194 11.730 -10.089 1.00 0.00 C ATOM 924 O SER A 61 0.939 10.553 -9.836 1.00 0.00 O ATOM 925 CB SER A 61 -0.178 13.661 -9.286 1.00 0.00 C ATOM 926 OG SER A 61 -0.021 14.429 -10.466 1.00 0.00 O ATOM 0 H SER A 61 2.087 14.627 -9.175 1.00 0.00 H new ATOM 0 HA SER A 61 0.952 12.313 -8.049 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.054 13.019 -9.380 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.358 14.323 -8.439 1.00 0.00 H new ATOM 0 HG SER A 61 0.930 14.483 -10.697 1.00 0.00 H new ATOM 932 N ARG A 62 1.593 12.142 -11.289 1.00 0.00 N ATOM 933 CA ARG A 62 1.757 11.214 -12.405 1.00 0.00 C ATOM 934 C ARG A 62 2.667 10.049 -12.025 1.00 0.00 C ATOM 935 O ARG A 62 2.417 8.906 -12.406 1.00 0.00 O ATOM 936 CB ARG A 62 2.329 11.945 -13.622 1.00 0.00 C ATOM 937 CG ARG A 62 1.587 13.227 -13.966 1.00 0.00 C ATOM 938 CD ARG A 62 1.334 13.344 -15.461 1.00 0.00 C ATOM 939 NE ARG A 62 1.409 14.729 -15.922 1.00 0.00 N ATOM 940 CZ ARG A 62 1.575 15.080 -17.195 1.00 0.00 C ATOM 941 NH1 ARG A 62 1.688 14.152 -18.138 1.00 0.00 N ATOM 942 NH2 ARG A 62 1.629 16.362 -17.529 1.00 0.00 N ATOM 0 H ARG A 62 1.809 13.113 -11.514 1.00 0.00 H new ATOM 0 HA ARG A 62 0.774 10.813 -12.655 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.377 12.180 -13.435 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.301 11.277 -14.483 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.637 13.252 -13.433 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.166 14.086 -13.626 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.065 12.742 -16.001 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.351 12.937 -15.695 1.00 0.00 H new ATOM 0 HE ARG A 62 1.329 15.471 -15.227 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.648 13.164 -17.888 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.815 14.427 -19.112 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.543 17.080 -16.810 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.756 16.630 -18.505 1.00 0.00 H new ATOM 956 N ARG A 63 3.721 10.347 -11.272 1.00 0.00 N ATOM 957 CA ARG A 63 4.665 9.323 -10.841 1.00 0.00 C ATOM 958 C ARG A 63 3.965 8.248 -10.016 1.00 0.00 C ATOM 959 O ARG A 63 4.240 7.058 -10.167 1.00 0.00 O ATOM 960 CB ARG A 63 5.796 9.952 -10.025 1.00 0.00 C ATOM 961 CG ARG A 63 6.771 10.766 -10.862 1.00 0.00 C ATOM 962 CD ARG A 63 8.217 10.412 -10.544 1.00 0.00 C ATOM 963 NE ARG A 63 8.852 9.677 -11.634 1.00 0.00 N ATOM 964 CZ ARG A 63 10.065 9.132 -11.555 1.00 0.00 C ATOM 965 NH1 ARG A 63 10.774 9.237 -10.438 1.00 0.00 N ATOM 966 NH2 ARG A 63 10.568 8.481 -12.595 1.00 0.00 N ATOM 0 H ARG A 63 3.942 11.288 -10.948 1.00 0.00 H new ATOM 0 HA ARG A 63 5.085 8.856 -11.732 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.365 10.594 -9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.343 9.163 -9.510 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.577 10.590 -11.920 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.608 11.828 -10.680 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.779 11.325 -10.347 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.252 9.813 -9.634 1.00 0.00 H new ATOM 0 HE ARG A 63 8.336 9.575 -12.508 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.391 9.737 -9.636 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.702 8.818 -10.382 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.026 8.398 -13.455 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.497 8.064 -12.535 1.00 0.00 H new ATOM 980 N LEU A 64 3.056 8.677 -9.148 1.00 0.00 N ATOM 981 CA LEU A 64 2.312 7.750 -8.300 1.00 0.00 C ATOM 982 C LEU A 64 1.324 6.937 -9.129 1.00 0.00 C ATOM 983 O LEU A 64 1.120 5.748 -8.883 1.00 0.00 O ATOM 984 CB LEU A 64 1.560 8.503 -7.191 1.00 0.00 C ATOM 985 CG LEU A 64 2.139 9.866 -6.803 1.00 0.00 C ATOM 986 CD1 LEU A 64 1.454 10.399 -5.553 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.642 9.769 -6.588 1.00 0.00 C ATOM 0 H LEU A 64 2.816 9.659 -9.012 1.00 0.00 H new ATOM 0 HA LEU A 64 3.031 7.073 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.527 8.645 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.535 7.873 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 64 1.955 10.562 -7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.878 11.369 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.386 10.509 -5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.607 9.702 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.034 10.748 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.850 9.057 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.120 9.432 -7.508 1.00 0.00 H new ATOM 999 N MET A 65 0.714 7.590 -10.112 1.00 0.00 N ATOM 1000 CA MET A 65 -0.256 6.936 -10.981 1.00 0.00 C ATOM 1001 C MET A 65 0.365 5.736 -11.690 1.00 0.00 C ATOM 1002 O MET A 65 -0.316 4.751 -11.975 1.00 0.00 O ATOM 1003 CB MET A 65 -0.798 7.932 -12.007 1.00 0.00 C ATOM 1004 CG MET A 65 -1.428 9.163 -11.377 1.00 0.00 C ATOM 1005 SD MET A 65 -2.742 9.871 -12.388 1.00 0.00 S ATOM 1006 CE MET A 65 -3.951 10.280 -11.132 1.00 0.00 C ATOM 0 H MET A 65 0.875 8.574 -10.327 1.00 0.00 H new ATOM 0 HA MET A 65 -1.079 6.577 -10.363 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.014 8.244 -12.664 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.539 7.433 -12.631 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.831 8.899 -10.399 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.657 9.916 -11.212 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.953 10.214 -11.556 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.863 9.581 -10.300 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.775 11.294 -10.774 1.00 0.00 H new ATOM 1016 N ALA A 66 1.663 5.821 -11.965 1.00 0.00 N ATOM 1017 CA ALA A 66 2.370 4.737 -12.633 1.00 0.00 C ATOM 1018 C ALA A 66 2.732 3.642 -11.641 1.00 0.00 C ATOM 1019 O ALA A 66 2.735 2.459 -11.979 1.00 0.00 O ATOM 1020 CB ALA A 66 3.618 5.264 -13.325 1.00 0.00 C ATOM 0 H ALA A 66 2.244 6.627 -11.736 1.00 0.00 H new ATOM 0 HA ALA A 66 1.710 4.310 -13.388 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.135 4.441 -13.819 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.335 6.012 -14.066 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.280 5.717 -12.587 1.00 0.00 H new ATOM 1026 N LYS A 67 3.030 4.047 -10.411 1.00 0.00 N ATOM 1027 CA LYS A 67 3.385 3.101 -9.365 1.00 0.00 C ATOM 1028 C LYS A 67 2.150 2.340 -8.897 1.00 0.00 C ATOM 1029 O LYS A 67 2.231 1.168 -8.526 1.00 0.00 O ATOM 1030 CB LYS A 67 4.037 3.825 -8.186 1.00 0.00 C ATOM 1031 CG LYS A 67 5.360 4.486 -8.534 1.00 0.00 C ATOM 1032 CD LYS A 67 5.986 5.153 -7.319 1.00 0.00 C ATOM 1033 CE LYS A 67 5.503 6.585 -7.156 1.00 0.00 C ATOM 1034 NZ LYS A 67 6.627 7.523 -6.886 1.00 0.00 N ATOM 0 H LYS A 67 3.032 5.024 -10.116 1.00 0.00 H new ATOM 0 HA LYS A 67 4.101 2.389 -9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.349 4.583 -7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.198 3.112 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.046 3.740 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.203 5.228 -9.317 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.742 4.582 -6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.072 5.143 -7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.979 6.897 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.784 6.635 -6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.256 8.489 -6.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.111 7.241 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.300 7.495 -7.678 1.00 0.00 H new ATOM 1048 N LEU A 68 1.007 3.016 -8.922 1.00 0.00 N ATOM 1049 CA LEU A 68 -0.253 2.411 -8.508 1.00 0.00 C ATOM 1050 C LEU A 68 -0.791 1.480 -9.593 1.00 0.00 C ATOM 1051 O LEU A 68 -1.597 0.591 -9.317 1.00 0.00 O ATOM 1052 CB LEU A 68 -1.284 3.497 -8.193 1.00 0.00 C ATOM 1053 CG LEU A 68 -2.679 2.984 -7.829 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -3.313 3.870 -6.767 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -3.560 2.918 -9.066 1.00 0.00 C ATOM 0 H LEU A 68 0.927 3.986 -9.226 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.069 1.823 -7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.910 4.102 -7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.370 4.155 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.582 1.978 -7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.304 3.490 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.691 3.867 -5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.399 4.888 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.548 2.551 -8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.651 3.913 -9.501 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.113 2.242 -9.795 1.00 0.00 H new ATOM 1067 N ALA A 69 -0.341 1.690 -10.828 1.00 0.00 N ATOM 1068 CA ALA A 69 -0.778 0.870 -11.952 1.00 0.00 C ATOM 1069 C ALA A 69 -0.532 -0.613 -11.684 1.00 0.00 C ATOM 1070 O ALA A 69 -1.210 -1.475 -12.241 1.00 0.00 O ATOM 1071 CB ALA A 69 -0.068 1.301 -13.225 1.00 0.00 C ATOM 0 H ALA A 69 0.326 2.421 -11.074 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.851 1.015 -12.078 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.403 0.681 -14.056 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.299 2.345 -13.435 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.008 1.186 -13.098 1.00 0.00 H new ATOM 1077 N ASP A 70 0.443 -0.902 -10.827 1.00 0.00 N ATOM 1078 CA ASP A 70 0.780 -2.281 -10.485 1.00 0.00 C ATOM 1079 C ASP A 70 0.237 -2.659 -9.107 1.00 0.00 C ATOM 1080 O ASP A 70 0.672 -3.645 -8.510 1.00 0.00 O ATOM 1081 CB ASP A 70 2.296 -2.480 -10.519 1.00 0.00 C ATOM 1082 CG ASP A 70 2.685 -3.891 -10.915 1.00 0.00 C ATOM 1083 OD1 ASP A 70 2.666 -4.193 -12.127 1.00 0.00 O ATOM 1084 OD2 ASP A 70 3.008 -4.692 -10.014 1.00 0.00 O ATOM 0 H ASP A 70 1.014 -0.200 -10.356 1.00 0.00 H new ATOM 0 HA ASP A 70 0.315 -2.932 -11.225 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.737 -1.774 -11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.712 -2.253 -9.537 1.00 0.00 H new ATOM 1089 N PHE A 71 -0.710 -1.871 -8.605 1.00 0.00 N ATOM 1090 CA PHE A 71 -1.304 -2.124 -7.297 1.00 0.00 C ATOM 1091 C PHE A 71 -2.051 -3.456 -7.273 1.00 0.00 C ATOM 1092 O PHE A 71 -2.878 -3.732 -8.140 1.00 0.00 O ATOM 1093 CB PHE A 71 -2.260 -0.988 -6.925 1.00 0.00 C ATOM 1094 CG PHE A 71 -2.606 -0.941 -5.464 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -1.824 -0.217 -4.578 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -3.714 -1.617 -4.977 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -2.140 -0.168 -3.234 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -4.034 -1.571 -3.633 1.00 0.00 C ATOM 1099 CZ PHE A 71 -3.246 -0.846 -2.761 1.00 0.00 C ATOM 0 H PHE A 71 -1.082 -1.052 -9.085 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.496 -2.174 -6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.810 -0.038 -7.213 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.178 -1.094 -7.503 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.958 0.315 -4.942 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.334 -2.185 -5.655 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.523 0.400 -2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.900 -2.102 -3.265 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.494 -0.809 -1.711 1.00 0.00 H new ATOM 1109 N ALA A 72 -1.756 -4.272 -6.264 1.00 0.00 N ATOM 1110 CA ALA A 72 -2.401 -5.574 -6.109 1.00 0.00 C ATOM 1111 C ALA A 72 -2.016 -6.530 -7.235 1.00 0.00 C ATOM 1112 O ALA A 72 -2.832 -7.334 -7.685 1.00 0.00 O ATOM 1113 CB ALA A 72 -3.914 -5.408 -6.045 1.00 0.00 C ATOM 0 H ALA A 72 -1.072 -4.054 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.051 -6.010 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.383 -6.385 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.175 -4.778 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.268 -4.942 -6.965 1.00 0.00 H new ATOM 1119 N VAL A 73 -0.768 -6.443 -7.683 1.00 0.00 N ATOM 1120 CA VAL A 73 -0.281 -7.306 -8.752 1.00 0.00 C ATOM 1121 C VAL A 73 0.677 -8.363 -8.207 1.00 0.00 C ATOM 1122 O VAL A 73 1.291 -8.176 -7.157 1.00 0.00 O ATOM 1123 CB VAL A 73 0.427 -6.495 -9.855 1.00 0.00 C ATOM 1124 CG1 VAL A 73 0.940 -7.412 -10.956 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -0.513 -5.445 -10.425 1.00 0.00 C ATOM 0 H VAL A 73 -0.077 -5.785 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.151 -7.799 -9.185 1.00 0.00 H new ATOM 0 HB VAL A 73 1.284 -5.988 -9.412 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.436 -6.817 -11.723 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.649 -8.125 -10.535 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.103 -7.951 -11.400 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.001 -4.880 -11.203 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.389 -5.934 -10.851 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.826 -4.767 -9.631 1.00 0.00 H new ATOM 1135 N GLU A 74 0.795 -9.473 -8.928 1.00 0.00 N ATOM 1136 CA GLU A 74 1.676 -10.561 -8.515 1.00 0.00 C ATOM 1137 C GLU A 74 3.140 -10.154 -8.639 1.00 0.00 C ATOM 1138 O GLU A 74 3.757 -10.324 -9.691 1.00 0.00 O ATOM 1139 CB GLU A 74 1.405 -11.810 -9.359 1.00 0.00 C ATOM 1140 CG GLU A 74 0.591 -12.869 -8.634 1.00 0.00 C ATOM 1141 CD GLU A 74 1.461 -13.897 -7.937 1.00 0.00 C ATOM 1142 OE1 GLU A 74 2.121 -14.690 -8.641 1.00 0.00 O ATOM 1143 OE2 GLU A 74 1.482 -13.908 -6.689 1.00 0.00 O ATOM 0 H GLU A 74 0.293 -9.643 -9.799 1.00 0.00 H new ATOM 0 HA GLU A 74 1.470 -10.786 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.878 -11.517 -10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.356 -12.243 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.054 -12.387 -7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.060 -13.373 -9.348 1.00 0.00 H new ATOM 1150 N GLN A 75 3.693 -9.619 -7.555 1.00 0.00 N ATOM 1151 CA GLN A 75 5.086 -9.190 -7.539 1.00 0.00 C ATOM 1152 C GLN A 75 5.881 -9.973 -6.500 1.00 0.00 C ATOM 1153 O GLN A 75 5.395 -10.234 -5.400 1.00 0.00 O ATOM 1154 CB GLN A 75 5.177 -7.691 -7.245 1.00 0.00 C ATOM 1155 CG GLN A 75 4.898 -6.816 -8.456 1.00 0.00 C ATOM 1156 CD GLN A 75 5.054 -5.338 -8.155 1.00 0.00 C ATOM 1157 OE1 GLN A 75 5.771 -4.623 -8.855 1.00 0.00 O ATOM 1158 NE2 GLN A 75 4.381 -4.873 -7.109 1.00 0.00 N ATOM 0 H GLN A 75 3.197 -9.472 -6.676 1.00 0.00 H new ATOM 0 HA GLN A 75 5.513 -9.386 -8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.469 -7.440 -6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.173 -7.464 -6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.576 -7.092 -9.263 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.885 -7.006 -8.811 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.798 -5.502 -6.557 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.447 -3.887 -6.858 1.00 0.00 H new ATOM 1167 N GLU A 76 7.107 -10.345 -6.856 1.00 0.00 N ATOM 1168 CA GLU A 76 7.967 -11.101 -5.952 1.00 0.00 C ATOM 1169 C GLU A 76 8.252 -10.306 -4.683 1.00 0.00 C ATOM 1170 O GLU A 76 8.949 -9.292 -4.717 1.00 0.00 O ATOM 1171 CB GLU A 76 9.283 -11.461 -6.643 1.00 0.00 C ATOM 1172 CG GLU A 76 9.841 -12.812 -6.224 1.00 0.00 C ATOM 1173 CD GLU A 76 9.339 -13.946 -7.095 1.00 0.00 C ATOM 1174 OE1 GLU A 76 9.293 -13.770 -8.330 1.00 0.00 O ATOM 1175 OE2 GLU A 76 8.991 -15.011 -6.541 1.00 0.00 O ATOM 0 H GLU A 76 7.526 -10.136 -7.762 1.00 0.00 H new ATOM 0 HA GLU A 76 7.445 -12.018 -5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.129 -11.460 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.021 -10.689 -6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.930 -12.780 -6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.569 -13.008 -5.187 1.00 0.00 H new ATOM 1182 N VAL A 77 7.717 -10.777 -3.562 1.00 0.00 N ATOM 1183 CA VAL A 77 7.925 -10.113 -2.283 1.00 0.00 C ATOM 1184 C VAL A 77 9.268 -10.504 -1.689 1.00 0.00 C ATOM 1185 O VAL A 77 9.836 -11.539 -2.038 1.00 0.00 O ATOM 1186 CB VAL A 77 6.801 -10.445 -1.282 1.00 0.00 C ATOM 1187 CG1 VAL A 77 7.000 -9.687 0.021 1.00 0.00 C ATOM 1188 CG2 VAL A 77 5.442 -10.128 -1.887 1.00 0.00 C ATOM 0 H VAL A 77 7.137 -11.615 -3.514 1.00 0.00 H new ATOM 0 HA VAL A 77 7.912 -9.039 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 77 6.840 -11.512 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.196 -9.936 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.957 -9.966 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.990 -8.615 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.659 -10.368 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.393 -9.068 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.299 -10.721 -2.791 1.00 0.00 H new ATOM 1198 N THR A 78 9.782 -9.662 -0.804 1.00 0.00 N ATOM 1199 CA THR A 78 11.072 -9.917 -0.181 1.00 0.00 C ATOM 1200 C THR A 78 11.180 -9.227 1.170 1.00 0.00 C ATOM 1201 O THR A 78 10.450 -8.277 1.454 1.00 0.00 O ATOM 1202 CB THR A 78 12.189 -9.428 -1.100 1.00 0.00 C ATOM 1203 OG1 THR A 78 11.720 -9.273 -2.428 1.00 0.00 O ATOM 1204 CG2 THR A 78 13.370 -10.363 -1.140 1.00 0.00 C ATOM 0 H THR A 78 9.328 -8.800 -0.502 1.00 0.00 H new ATOM 0 HA THR A 78 11.167 -10.991 -0.021 1.00 0.00 H new ATOM 0 HB THR A 78 12.509 -8.473 -0.684 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.452 -8.958 -2.999 1.00 0.00 H new ATOM 0 HG21 THR A 78 14.130 -9.961 -1.810 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.787 -10.466 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 78 13.049 -11.340 -1.501 1.00 0.00 H new ATOM 1212 N ALA A 79 12.106 -9.700 2.000 1.00 0.00 N ATOM 1213 CA ALA A 79 12.311 -9.109 3.312 1.00 0.00 C ATOM 1214 C ALA A 79 12.771 -7.667 3.168 1.00 0.00 C ATOM 1215 O ALA A 79 13.413 -7.305 2.182 1.00 0.00 O ATOM 1216 CB ALA A 79 13.312 -9.912 4.122 1.00 0.00 C ATOM 0 H ALA A 79 12.721 -10.485 1.786 1.00 0.00 H new ATOM 0 HA ALA A 79 11.362 -9.124 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.446 -9.447 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.943 -10.929 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.267 -9.937 3.598 1.00 0.00 H new ATOM 1222 N GLY A 80 12.420 -6.840 4.142 1.00 0.00 N ATOM 1223 CA GLY A 80 12.784 -5.441 4.086 1.00 0.00 C ATOM 1224 C GLY A 80 11.683 -4.614 3.456 1.00 0.00 C ATOM 1225 O GLY A 80 11.486 -3.452 3.810 1.00 0.00 O ATOM 0 H GLY A 80 11.890 -7.114 4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.987 -5.075 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.704 -5.324 3.513 1.00 0.00 H new ATOM 1229 N ASP A 81 10.948 -5.230 2.531 1.00 0.00 N ATOM 1230 CA ASP A 81 9.841 -4.560 1.863 1.00 0.00 C ATOM 1231 C ASP A 81 8.693 -4.364 2.848 1.00 0.00 C ATOM 1232 O ASP A 81 8.901 -4.398 4.060 1.00 0.00 O ATOM 1233 CB ASP A 81 9.378 -5.380 0.656 1.00 0.00 C ATOM 1234 CG ASP A 81 10.532 -5.830 -0.217 1.00 0.00 C ATOM 1235 OD1 ASP A 81 11.561 -5.122 -0.252 1.00 0.00 O ATOM 1236 OD2 ASP A 81 10.408 -6.889 -0.866 1.00 0.00 O ATOM 0 H ASP A 81 11.102 -6.192 2.229 1.00 0.00 H new ATOM 0 HA ASP A 81 10.173 -3.584 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.828 -6.254 1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.686 -4.785 0.060 1.00 0.00 H new ATOM 1241 N ARG A 82 7.482 -4.164 2.336 1.00 0.00 N ATOM 1242 CA ARG A 82 6.324 -3.972 3.200 1.00 0.00 C ATOM 1243 C ARG A 82 5.056 -4.525 2.565 1.00 0.00 C ATOM 1244 O ARG A 82 4.935 -4.592 1.342 1.00 0.00 O ATOM 1245 CB ARG A 82 6.134 -2.489 3.518 1.00 0.00 C ATOM 1246 CG ARG A 82 6.951 -2.005 4.705 1.00 0.00 C ATOM 1247 CD ARG A 82 7.512 -0.613 4.465 1.00 0.00 C ATOM 1248 NE ARG A 82 8.752 -0.385 5.203 1.00 0.00 N ATOM 1249 CZ ARG A 82 9.619 0.582 4.914 1.00 0.00 C ATOM 1250 NH1 ARG A 82 9.385 1.413 3.905 1.00 0.00 N ATOM 1251 NH2 ARG A 82 10.724 0.719 5.634 1.00 0.00 N ATOM 0 H ARG A 82 7.279 -4.131 1.337 1.00 0.00 H new ATOM 0 HA ARG A 82 6.512 -4.519 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.403 -1.902 2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.078 -2.302 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.327 -1.998 5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.769 -2.701 4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.694 -0.475 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.773 0.131 4.761 1.00 0.00 H new ATOM 0 HE ARG A 82 8.966 -1.003 5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.537 1.312 3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.053 2.153 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.909 0.083 6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.389 1.460 5.412 1.00 0.00 H new ATOM 1265 N VAL A 83 4.110 -4.908 3.412 1.00 0.00 N ATOM 1266 CA VAL A 83 2.835 -5.445 2.956 1.00 0.00 C ATOM 1267 C VAL A 83 1.693 -4.531 3.385 1.00 0.00 C ATOM 1268 O VAL A 83 1.513 -4.268 4.572 1.00 0.00 O ATOM 1269 CB VAL A 83 2.591 -6.859 3.518 1.00 0.00 C ATOM 1270 CG1 VAL A 83 1.264 -7.416 3.021 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.737 -7.787 3.146 1.00 0.00 C ATOM 0 H VAL A 83 4.203 -4.856 4.426 1.00 0.00 H new ATOM 0 HA VAL A 83 2.872 -5.502 1.868 1.00 0.00 H new ATOM 0 HB VAL A 83 2.544 -6.791 4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.113 -8.415 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.452 -6.765 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.276 -7.468 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.547 -8.781 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.819 -7.848 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.668 -7.399 3.559 1.00 0.00 H new ATOM 1281 N VAL A 84 0.930 -4.040 2.414 1.00 0.00 N ATOM 1282 CA VAL A 84 -0.183 -3.146 2.708 1.00 0.00 C ATOM 1283 C VAL A 84 -1.491 -3.916 2.870 1.00 0.00 C ATOM 1284 O VAL A 84 -1.893 -4.675 1.990 1.00 0.00 O ATOM 1285 CB VAL A 84 -0.356 -2.070 1.608 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -1.178 -2.599 0.452 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -0.991 -0.814 2.183 1.00 0.00 C ATOM 0 H VAL A 84 1.061 -4.244 1.423 1.00 0.00 H new ATOM 0 HA VAL A 84 0.057 -2.652 3.650 1.00 0.00 H new ATOM 0 HB VAL A 84 0.634 -1.816 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.283 -1.822 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.679 -3.465 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.165 -2.892 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.104 -0.070 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.970 -1.057 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.355 -0.413 2.972 1.00 0.00 H new ATOM 1297 N VAL A 85 -2.156 -3.698 3.996 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.428 -4.352 4.266 1.00 0.00 C ATOM 1299 C VAL A 85 -4.564 -3.339 4.168 1.00 0.00 C ATOM 1300 O VAL A 85 -4.606 -2.365 4.919 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.443 -5.021 5.653 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.676 -5.896 5.808 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -2.177 -5.838 5.862 1.00 0.00 C ATOM 0 H VAL A 85 -1.836 -3.074 4.736 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.565 -5.133 3.518 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.478 -4.241 6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.671 -6.361 6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.572 -5.285 5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.671 -6.671 5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.203 -6.304 6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.112 -6.611 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.307 -5.185 5.793 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.470 -3.560 3.220 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.591 -2.649 3.002 1.00 0.00 C ATOM 1315 C ILE A 86 -7.452 -2.478 4.252 1.00 0.00 C ATOM 1316 O ILE A 86 -8.236 -1.534 4.344 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.484 -3.108 1.834 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -6.634 -3.508 0.623 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -8.451 -1.997 1.457 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -6.997 -4.860 0.052 1.00 0.00 C ATOM 0 H ILE A 86 -5.451 -4.362 2.590 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.144 -1.687 2.753 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.052 -3.982 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.745 -2.752 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.583 -3.515 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.080 -2.327 0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.078 -1.753 2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.890 -1.113 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.356 -5.078 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.859 -5.626 0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.039 -4.852 -0.269 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.303 -3.379 5.219 1.00 0.00 N ATOM 1333 CA ASP A 87 -8.067 -3.295 6.457 1.00 0.00 C ATOM 1334 C ASP A 87 -7.184 -2.755 7.577 1.00 0.00 C ATOM 1335 O ASP A 87 -7.592 -1.888 8.347 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.628 -4.666 6.839 1.00 0.00 C ATOM 1337 CG ASP A 87 -10.136 -4.651 6.994 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -10.644 -3.823 7.780 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -10.810 -5.466 6.330 1.00 0.00 O ATOM 0 H ASP A 87 -6.663 -4.172 5.169 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.904 -2.614 6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.351 -5.394 6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.173 -4.994 7.773 1.00 0.00 H new ATOM 1344 N GLY A 88 -5.961 -3.273 7.648 1.00 0.00 N ATOM 1345 CA GLY A 88 -5.015 -2.833 8.656 1.00 0.00 C ATOM 1346 C GLY A 88 -4.277 -3.995 9.297 1.00 0.00 C ATOM 1347 O GLY A 88 -4.294 -5.109 8.775 1.00 0.00 O ATOM 0 H GLY A 88 -5.607 -3.995 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.294 -2.153 8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.543 -2.271 9.426 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.637 -3.738 10.434 1.00 0.00 N ATOM 1352 CA LEU A 89 -2.899 -4.777 11.149 1.00 0.00 C ATOM 1353 C LEU A 89 -2.305 -4.231 12.445 1.00 0.00 C ATOM 1354 O LEU A 89 -1.348 -3.457 12.423 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.787 -5.351 10.266 1.00 0.00 C ATOM 1356 CG LEU A 89 -1.248 -6.717 10.705 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -2.388 -7.698 10.932 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -0.271 -7.261 9.671 1.00 0.00 C ATOM 0 H LEU A 89 -3.614 -2.821 10.880 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.600 -5.574 11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.162 -5.436 9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.960 -4.642 10.243 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.717 -6.589 11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.983 -8.661 11.243 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.049 -7.314 11.709 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.950 -7.823 10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.102 -8.231 9.998 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.779 -7.372 8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.564 -6.569 9.561 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.879 -4.638 13.572 1.00 0.00 N ATOM 1371 CA ASP A 90 -2.403 -4.187 14.875 1.00 0.00 C ATOM 1372 C ASP A 90 -1.714 -5.321 15.630 1.00 0.00 C ATOM 1373 O ASP A 90 -1.905 -5.484 16.835 1.00 0.00 O ATOM 1374 CB ASP A 90 -3.567 -3.639 15.704 1.00 0.00 C ATOM 1375 CG ASP A 90 -3.817 -2.166 15.446 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -2.868 -1.368 15.594 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -4.961 -1.811 15.094 1.00 0.00 O ATOM 0 H ASP A 90 -3.673 -5.278 13.610 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.675 -3.392 14.711 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.471 -4.204 15.474 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.358 -3.789 16.763 1.00 0.00 H new ATOM 1382 N ARG A 91 -0.911 -6.102 14.912 1.00 0.00 N ATOM 1383 CA ARG A 91 -0.193 -7.219 15.516 1.00 0.00 C ATOM 1384 C ARG A 91 0.698 -7.913 14.491 1.00 0.00 C ATOM 1385 O ARG A 91 0.460 -7.826 13.286 1.00 0.00 O ATOM 1386 CB ARG A 91 -1.179 -8.225 16.111 1.00 0.00 C ATOM 1387 CG ARG A 91 -2.071 -8.890 15.073 1.00 0.00 C ATOM 1388 CD ARG A 91 -2.031 -10.407 15.181 1.00 0.00 C ATOM 1389 NE ARG A 91 -3.299 -10.955 15.656 1.00 0.00 N ATOM 1390 CZ ARG A 91 -3.669 -10.964 16.935 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -2.875 -10.454 17.867 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -4.840 -11.483 17.281 1.00 0.00 N ATOM 0 H ARG A 91 -0.742 -5.982 13.913 1.00 0.00 H new ATOM 0 HA ARG A 91 0.438 -6.823 16.312 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.622 -8.994 16.646 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.805 -7.717 16.844 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.097 -8.544 15.200 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.754 -8.588 14.075 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.794 -10.834 14.206 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.231 -10.701 15.861 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.938 -11.354 14.968 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.975 -10.052 17.606 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.165 -10.464 18.845 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.455 -11.874 16.568 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.125 -11.491 18.260 1.00 0.00 H new ATOM 1406 N MET A 92 1.724 -8.604 14.977 1.00 0.00 N ATOM 1407 CA MET A 92 2.650 -9.316 14.105 1.00 0.00 C ATOM 1408 C MET A 92 1.997 -10.573 13.539 1.00 0.00 C ATOM 1409 O MET A 92 1.482 -11.406 14.285 1.00 0.00 O ATOM 1410 CB MET A 92 3.922 -9.686 14.871 1.00 0.00 C ATOM 1411 CG MET A 92 4.921 -10.486 14.048 1.00 0.00 C ATOM 1412 SD MET A 92 6.316 -11.073 15.028 1.00 0.00 S ATOM 1413 CE MET A 92 7.572 -9.879 14.579 1.00 0.00 C ATOM 0 H MET A 92 1.935 -8.686 15.972 1.00 0.00 H new ATOM 0 HA MET A 92 2.914 -8.659 13.277 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.403 -8.773 15.222 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.649 -10.262 15.755 1.00 0.00 H new ATOM 0 HG2 MET A 92 4.414 -11.339 13.597 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.291 -9.867 13.231 1.00 0.00 H new ATOM 0 HE1 MET A 92 8.498 -10.109 15.106 1.00 0.00 H new ATOM 0 HE2 MET A 92 7.746 -9.921 13.504 1.00 0.00 H new ATOM 0 HE3 MET A 92 7.237 -8.878 14.853 1.00 0.00 H new ATOM 1423 N ALA A 93 2.019 -10.705 12.216 1.00 0.00 N ATOM 1424 CA ALA A 93 1.422 -11.863 11.557 1.00 0.00 C ATOM 1425 C ALA A 93 2.284 -12.358 10.400 1.00 0.00 C ATOM 1426 O ALA A 93 2.979 -11.576 9.754 1.00 0.00 O ATOM 1427 CB ALA A 93 0.025 -11.523 11.062 1.00 0.00 C ATOM 0 H ALA A 93 2.442 -10.028 11.581 1.00 0.00 H new ATOM 0 HA ALA A 93 1.358 -12.666 12.291 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.410 -12.394 10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.600 -11.232 11.907 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.081 -10.698 10.352 1.00 0.00 H new ATOM 1433 N HIS A 94 2.229 -13.663 10.140 1.00 0.00 N ATOM 1434 CA HIS A 94 3.002 -14.259 9.054 1.00 0.00 C ATOM 1435 C HIS A 94 2.290 -14.086 7.719 1.00 0.00 C ATOM 1436 O HIS A 94 1.065 -13.986 7.665 1.00 0.00 O ATOM 1437 CB HIS A 94 3.262 -15.746 9.318 1.00 0.00 C ATOM 1438 CG HIS A 94 2.053 -16.612 9.143 1.00 0.00 C ATOM 1439 ND1 HIS A 94 2.111 -17.886 8.615 1.00 0.00 N ATOM 1440 CD2 HIS A 94 0.747 -16.381 9.420 1.00 0.00 C ATOM 1441 CE1 HIS A 94 0.894 -18.399 8.574 1.00 0.00 C ATOM 1442 NE2 HIS A 94 0.050 -17.507 9.057 1.00 0.00 N ATOM 0 H HIS A 94 1.659 -14.326 10.665 1.00 0.00 H new ATOM 0 HA HIS A 94 3.959 -13.740 9.008 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.046 -16.093 8.645 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.638 -15.865 10.334 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.332 -15.480 9.847 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.634 -19.381 8.208 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.958 -17.634 9.146 1.00 0.00 H new ATOM 1451 N PHE A 95 3.067 -14.053 6.644 1.00 0.00 N ATOM 1452 CA PHE A 95 2.512 -13.893 5.309 1.00 0.00 C ATOM 1453 C PHE A 95 2.667 -15.171 4.491 1.00 0.00 C ATOM 1454 O PHE A 95 1.799 -15.509 3.685 1.00 0.00 O ATOM 1455 CB PHE A 95 3.192 -12.726 4.589 1.00 0.00 C ATOM 1456 CG PHE A 95 2.657 -12.476 3.207 1.00 0.00 C ATOM 1457 CD1 PHE A 95 1.292 -12.479 2.966 1.00 0.00 C ATOM 1458 CD2 PHE A 95 3.519 -12.237 2.150 1.00 0.00 C ATOM 1459 CE1 PHE A 95 0.798 -12.250 1.696 1.00 0.00 C ATOM 1460 CE2 PHE A 95 3.031 -12.007 0.878 1.00 0.00 C ATOM 1461 CZ PHE A 95 1.669 -12.013 0.650 1.00 0.00 C ATOM 0 H PHE A 95 4.083 -14.135 6.672 1.00 0.00 H new ATOM 0 HA PHE A 95 1.448 -13.680 5.411 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.070 -11.822 5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.262 -12.924 4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.607 -12.662 3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.585 -12.230 2.322 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.268 -12.256 1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.714 -11.823 0.062 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.286 -11.833 -0.343 1.00 0.00 H new ATOM 1471 N LYS A 96 3.774 -15.882 4.697 1.00 0.00 N ATOM 1472 CA LYS A 96 4.024 -17.121 3.967 1.00 0.00 C ATOM 1473 C LYS A 96 5.364 -17.726 4.364 1.00 0.00 C ATOM 1474 O LYS A 96 6.213 -17.044 4.935 1.00 0.00 O ATOM 1475 CB LYS A 96 3.996 -16.867 2.457 1.00 0.00 C ATOM 1476 CG LYS A 96 4.867 -15.701 2.020 1.00 0.00 C ATOM 1477 CD LYS A 96 4.480 -15.206 0.636 1.00 0.00 C ATOM 1478 CE LYS A 96 5.365 -14.053 0.189 1.00 0.00 C ATOM 1479 NZ LYS A 96 6.580 -14.531 -0.527 1.00 0.00 N ATOM 0 H LYS A 96 4.506 -15.623 5.358 1.00 0.00 H new ATOM 0 HA LYS A 96 3.235 -17.827 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.324 -17.768 1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.968 -16.678 2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.774 -14.886 2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.913 -16.007 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.558 -16.025 -0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.438 -14.886 0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.796 -13.391 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.663 -13.466 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.157 -13.715 -0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.136 -15.143 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.297 -15.070 -1.370 1.00 0.00 H new ATOM 1493 N ASP A 97 5.546 -19.010 4.055 1.00 0.00 N ATOM 1494 CA ASP A 97 6.786 -19.715 4.376 1.00 0.00 C ATOM 1495 C ASP A 97 7.241 -19.404 5.803 1.00 0.00 C ATOM 1496 O ASP A 97 6.850 -20.089 6.748 1.00 0.00 O ATOM 1497 CB ASP A 97 7.882 -19.350 3.370 1.00 0.00 C ATOM 1498 CG ASP A 97 7.648 -19.975 2.008 1.00 0.00 C ATOM 1499 OD1 ASP A 97 6.895 -20.968 1.932 1.00 0.00 O ATOM 1500 OD2 ASP A 97 8.219 -19.471 1.018 1.00 0.00 O ATOM 0 H ASP A 97 4.848 -19.584 3.582 1.00 0.00 H new ATOM 0 HA ASP A 97 6.595 -20.786 4.310 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.930 -18.266 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.848 -19.676 3.755 1.00 0.00 H new ATOM 1505 N ASP A 98 8.056 -18.362 5.957 1.00 0.00 N ATOM 1506 CA ASP A 98 8.539 -17.969 7.274 1.00 0.00 C ATOM 1507 C ASP A 98 8.701 -16.455 7.385 1.00 0.00 C ATOM 1508 O ASP A 98 9.298 -15.959 8.340 1.00 0.00 O ATOM 1509 CB ASP A 98 9.864 -18.664 7.587 1.00 0.00 C ATOM 1510 CG ASP A 98 9.677 -20.113 7.991 1.00 0.00 C ATOM 1511 OD1 ASP A 98 9.637 -20.979 7.091 1.00 0.00 O ATOM 1512 OD2 ASP A 98 9.570 -20.383 9.206 1.00 0.00 O ATOM 0 H ASP A 98 8.392 -17.780 5.190 1.00 0.00 H new ATOM 0 HA ASP A 98 7.792 -18.280 8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.512 -18.615 6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.371 -18.129 8.390 1.00 0.00 H new ATOM 1517 N LEU A 99 8.157 -15.720 6.418 1.00 0.00 N ATOM 1518 CA LEU A 99 8.237 -14.268 6.437 1.00 0.00 C ATOM 1519 C LEU A 99 7.104 -13.704 7.283 1.00 0.00 C ATOM 1520 O LEU A 99 5.932 -13.974 7.023 1.00 0.00 O ATOM 1521 CB LEU A 99 8.165 -13.706 5.015 1.00 0.00 C ATOM 1522 CG LEU A 99 9.511 -13.588 4.298 1.00 0.00 C ATOM 1523 CD1 LEU A 99 9.316 -13.071 2.880 1.00 0.00 C ATOM 1524 CD2 LEU A 99 10.450 -12.676 5.074 1.00 0.00 C ATOM 0 H LEU A 99 7.659 -16.107 5.616 1.00 0.00 H new ATOM 0 HA LEU A 99 9.192 -13.974 6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.509 -14.343 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.703 -12.720 5.053 1.00 0.00 H new ATOM 0 HG LEU A 99 9.961 -14.579 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.284 -12.993 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.679 -13.760 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.845 -12.088 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.403 -12.604 4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.006 -11.684 5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.615 -13.086 6.070 1.00 0.00 H new ATOM 1536 N VAL A 100 7.456 -12.938 8.306 1.00 0.00 N ATOM 1537 CA VAL A 100 6.458 -12.363 9.194 1.00 0.00 C ATOM 1538 C VAL A 100 6.351 -10.853 9.010 1.00 0.00 C ATOM 1539 O VAL A 100 7.356 -10.155 8.882 1.00 0.00 O ATOM 1540 CB VAL A 100 6.766 -12.704 10.674 1.00 0.00 C ATOM 1541 CG1 VAL A 100 7.216 -11.478 11.460 1.00 0.00 C ATOM 1542 CG2 VAL A 100 5.556 -13.348 11.334 1.00 0.00 C ATOM 0 H VAL A 100 8.420 -12.702 8.540 1.00 0.00 H new ATOM 0 HA VAL A 100 5.497 -12.805 8.930 1.00 0.00 H new ATOM 0 HB VAL A 100 7.592 -13.415 10.681 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.421 -11.763 12.492 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.120 -11.069 11.010 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.429 -10.725 11.441 1.00 0.00 H new ATOM 0 HG21 VAL A 100 5.789 -13.581 12.373 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.712 -12.659 11.297 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.299 -14.266 10.805 1.00 0.00 H new ATOM 1552 N LEU A 101 5.117 -10.364 9.000 1.00 0.00 N ATOM 1553 CA LEU A 101 4.856 -8.943 8.836 1.00 0.00 C ATOM 1554 C LEU A 101 4.607 -8.289 10.190 1.00 0.00 C ATOM 1555 O LEU A 101 3.727 -8.710 10.940 1.00 0.00 O ATOM 1556 CB LEU A 101 3.647 -8.725 7.921 1.00 0.00 C ATOM 1557 CG LEU A 101 3.376 -9.848 6.916 1.00 0.00 C ATOM 1558 CD1 LEU A 101 2.170 -9.513 6.053 1.00 0.00 C ATOM 1559 CD2 LEU A 101 4.604 -10.093 6.050 1.00 0.00 C ATOM 0 H LEU A 101 4.279 -10.936 9.104 1.00 0.00 H new ATOM 0 HA LEU A 101 5.732 -8.483 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.761 -8.594 8.542 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.791 -7.795 7.371 1.00 0.00 H new ATOM 0 HG LEU A 101 3.157 -10.761 7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.993 -10.323 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.292 -9.387 6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.359 -8.589 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.395 -10.894 5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.853 -9.182 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.444 -10.378 6.683 1.00 0.00 H new ATOM 1571 N VAL A 102 5.389 -7.263 10.500 1.00 0.00 N ATOM 1572 CA VAL A 102 5.252 -6.559 11.768 1.00 0.00 C ATOM 1573 C VAL A 102 4.650 -5.172 11.564 1.00 0.00 C ATOM 1574 O VAL A 102 5.093 -4.420 10.696 1.00 0.00 O ATOM 1575 CB VAL A 102 6.612 -6.412 12.476 1.00 0.00 C ATOM 1576 CG1 VAL A 102 6.426 -5.880 13.889 1.00 0.00 C ATOM 1577 CG2 VAL A 102 7.353 -7.740 12.491 1.00 0.00 C ATOM 0 H VAL A 102 6.123 -6.900 9.892 1.00 0.00 H new ATOM 0 HA VAL A 102 4.586 -7.155 12.391 1.00 0.00 H new ATOM 0 HB VAL A 102 7.214 -5.693 11.920 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.398 -5.783 14.372 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.942 -4.904 13.850 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.805 -6.571 14.459 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.311 -7.616 12.995 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.757 -8.483 13.021 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.522 -8.074 11.467 1.00 0.00 H new ATOM 1587 N PRO A 103 3.627 -4.806 12.361 1.00 0.00 N ATOM 1588 CA PRO A 103 2.979 -3.498 12.246 1.00 0.00 C ATOM 1589 C PRO A 103 3.999 -2.371 12.159 1.00 0.00 C ATOM 1590 O PRO A 103 4.863 -2.229 13.025 1.00 0.00 O ATOM 1591 CB PRO A 103 2.177 -3.392 13.543 1.00 0.00 C ATOM 1592 CG PRO A 103 1.875 -4.802 13.923 1.00 0.00 C ATOM 1593 CD PRO A 103 3.020 -5.640 13.416 1.00 0.00 C ATOM 0 HA PRO A 103 2.371 -3.411 11.346 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.749 -2.887 14.321 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.262 -2.818 13.396 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.773 -4.899 15.004 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.932 -5.128 13.484 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.734 -5.864 14.209 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.673 -6.595 13.021 1.00 0.00 H new ATOM 1601 N LEU A 104 3.907 -1.587 11.091 1.00 0.00 N ATOM 1602 CA LEU A 104 4.835 -0.489 10.868 1.00 0.00 C ATOM 1603 C LEU A 104 4.106 0.848 10.753 1.00 0.00 C ATOM 1604 O LEU A 104 4.609 1.876 11.207 1.00 0.00 O ATOM 1605 CB LEU A 104 5.651 -0.757 9.601 1.00 0.00 C ATOM 1606 CG LEU A 104 6.861 0.154 9.390 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.654 0.311 10.679 1.00 0.00 C ATOM 1608 CD2 LEU A 104 7.748 -0.390 8.280 1.00 0.00 C ATOM 0 H LEU A 104 3.197 -1.693 10.366 1.00 0.00 H new ATOM 0 HA LEU A 104 5.502 -0.427 11.728 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.997 -1.791 9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.992 -0.661 8.738 1.00 0.00 H new ATOM 0 HG LEU A 104 6.499 1.138 9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.509 0.963 10.503 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.016 0.748 11.447 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.005 -0.666 11.011 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.605 0.270 8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.097 -1.387 8.549 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.178 -0.443 7.352 1.00 0.00 H new ATOM 1620 N THR A 105 2.926 0.834 10.142 1.00 0.00 N ATOM 1621 CA THR A 105 2.146 2.056 9.975 1.00 0.00 C ATOM 1622 C THR A 105 0.694 1.748 9.636 1.00 0.00 C ATOM 1623 O THR A 105 0.391 0.722 9.029 1.00 0.00 O ATOM 1624 CB THR A 105 2.772 2.936 8.889 1.00 0.00 C ATOM 1625 OG1 THR A 105 4.038 3.418 9.305 1.00 0.00 O ATOM 1626 CG2 THR A 105 1.927 4.137 8.518 1.00 0.00 C ATOM 0 H THR A 105 2.491 -0.004 9.756 1.00 0.00 H new ATOM 0 HA THR A 105 2.158 2.595 10.922 1.00 0.00 H new ATOM 0 HB THR A 105 2.857 2.291 8.014 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.211 3.130 10.226 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.434 4.713 7.744 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.960 3.800 8.145 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.779 4.763 9.398 1.00 0.00 H new ATOM 1634 N THR A 106 -0.197 2.650 10.039 1.00 0.00 N ATOM 1635 CA THR A 106 -1.624 2.494 9.789 1.00 0.00 C ATOM 1636 C THR A 106 -2.271 3.845 9.495 1.00 0.00 C ATOM 1637 O THR A 106 -2.326 4.718 10.361 1.00 0.00 O ATOM 1638 CB THR A 106 -2.308 1.847 10.994 1.00 0.00 C ATOM 1639 OG1 THR A 106 -1.643 0.655 11.370 1.00 0.00 O ATOM 1640 CG2 THR A 106 -3.761 1.505 10.746 1.00 0.00 C ATOM 0 H THR A 106 0.048 3.502 10.544 1.00 0.00 H new ATOM 0 HA THR A 106 -1.747 1.849 8.919 1.00 0.00 H new ATOM 0 HB THR A 106 -2.258 2.593 11.788 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.096 0.258 12.143 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.185 1.049 11.641 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.313 2.414 10.505 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.833 0.805 9.913 1.00 0.00 H new ATOM 1648 N LYS A 107 -2.757 4.013 8.269 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.397 5.261 7.867 1.00 0.00 C ATOM 1650 C LYS A 107 -4.759 4.998 7.232 1.00 0.00 C ATOM 1651 O LYS A 107 -4.918 4.062 6.448 1.00 0.00 O ATOM 1652 CB LYS A 107 -2.504 6.025 6.888 1.00 0.00 C ATOM 1653 CG LYS A 107 -1.188 6.482 7.495 1.00 0.00 C ATOM 1654 CD LYS A 107 -0.748 7.824 6.929 1.00 0.00 C ATOM 1655 CE LYS A 107 -0.203 8.736 8.016 1.00 0.00 C ATOM 1656 NZ LYS A 107 0.967 8.132 8.713 1.00 0.00 N ATOM 0 H LYS A 107 -2.720 3.302 7.538 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.546 5.866 8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.296 5.390 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.046 6.896 6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.293 6.559 8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.418 5.735 7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.016 7.666 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.592 8.307 6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.089 9.690 7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.989 8.946 8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.392 8.835 9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.655 7.308 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 1.672 7.831 8.010 1.00 0.00 H new ATOM 1670 N VAL A 108 -5.736 5.830 7.574 1.00 0.00 N ATOM 1671 CA VAL A 108 -7.084 5.690 7.038 1.00 0.00 C ATOM 1672 C VAL A 108 -7.365 6.746 5.976 1.00 0.00 C ATOM 1673 O VAL A 108 -7.341 7.944 6.256 1.00 0.00 O ATOM 1674 CB VAL A 108 -8.147 5.801 8.149 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.518 5.408 7.617 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -7.762 4.944 9.347 1.00 0.00 C ATOM 0 H VAL A 108 -5.619 6.610 8.221 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.143 4.699 6.588 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.196 6.839 8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.256 5.492 8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.794 6.071 6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.488 4.379 7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.525 5.036 10.120 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.682 3.902 9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.803 5.280 9.742 1.00 0.00 H new ATOM 1686 N VAL A 109 -7.632 6.293 4.755 1.00 0.00 N ATOM 1687 CA VAL A 109 -7.917 7.200 3.649 1.00 0.00 C ATOM 1688 C VAL A 109 -9.346 7.019 3.146 1.00 0.00 C ATOM 1689 O VAL A 109 -9.734 5.927 2.730 1.00 0.00 O ATOM 1690 CB VAL A 109 -6.939 6.983 2.479 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -7.154 8.034 1.399 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -5.500 7.005 2.973 1.00 0.00 C ATOM 0 H VAL A 109 -7.657 5.304 4.507 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.795 8.214 4.030 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.135 6.003 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.454 7.864 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.175 7.966 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.988 9.026 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.824 6.850 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.289 7.969 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.355 6.212 3.706 1.00 0.00 H new ATOM 1702 N GLY A 110 -10.122 8.097 3.185 1.00 0.00 N ATOM 1703 CA GLY A 110 -11.498 8.037 2.731 1.00 0.00 C ATOM 1704 C GLY A 110 -12.415 7.371 3.739 1.00 0.00 C ATOM 1705 O GLY A 110 -13.179 8.043 4.430 1.00 0.00 O ATOM 0 H GLY A 110 -9.822 9.011 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.856 9.047 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.543 7.491 1.788 1.00 0.00 H new ATOM 1709 N GLY A 111 -12.336 6.048 3.822 1.00 0.00 N ATOM 1710 CA GLY A 111 -13.169 5.314 4.756 1.00 0.00 C ATOM 1711 C GLY A 111 -12.693 3.889 4.959 1.00 0.00 C ATOM 1712 O GLY A 111 -13.494 2.991 5.219 1.00 0.00 O ATOM 0 H GLY A 111 -11.711 5.471 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.177 5.831 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.196 5.303 4.391 1.00 0.00 H new ATOM 1716 N SER A 112 -11.386 3.682 4.841 1.00 0.00 N ATOM 1717 CA SER A 112 -10.805 2.356 5.015 1.00 0.00 C ATOM 1718 C SER A 112 -9.390 2.450 5.577 1.00 0.00 C ATOM 1719 O SER A 112 -8.569 3.230 5.094 1.00 0.00 O ATOM 1720 CB SER A 112 -10.786 1.605 3.681 1.00 0.00 C ATOM 1721 OG SER A 112 -11.963 0.832 3.514 1.00 0.00 O ATOM 0 H SER A 112 -10.710 4.415 4.626 1.00 0.00 H new ATOM 0 HA SER A 112 -11.423 1.807 5.725 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.695 2.317 2.861 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.912 0.956 3.638 1.00 0.00 H new ATOM 0 HG SER A 112 -12.710 1.270 3.974 1.00 0.00 H new ATOM 1727 N ARG A 113 -9.113 1.649 6.599 1.00 0.00 N ATOM 1728 CA ARG A 113 -7.797 1.639 7.228 1.00 0.00 C ATOM 1729 C ARG A 113 -6.741 1.093 6.272 1.00 0.00 C ATOM 1730 O ARG A 113 -7.042 0.283 5.398 1.00 0.00 O ATOM 1731 CB ARG A 113 -7.830 0.793 8.503 1.00 0.00 C ATOM 1732 CG ARG A 113 -8.021 1.609 9.773 1.00 0.00 C ATOM 1733 CD ARG A 113 -7.654 0.807 11.012 1.00 0.00 C ATOM 1734 NE ARG A 113 -8.823 0.503 11.833 1.00 0.00 N ATOM 1735 CZ ARG A 113 -9.449 1.398 12.595 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -9.021 2.654 12.643 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -10.504 1.036 13.311 1.00 0.00 N ATOM 0 H ARG A 113 -9.782 0.998 7.010 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.534 2.666 7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.637 0.065 8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -6.900 0.230 8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.406 2.508 9.725 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.058 1.936 9.844 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -7.170 -0.122 10.712 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -6.930 1.366 11.605 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.181 -0.452 11.822 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.209 2.937 12.095 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.504 3.335 13.228 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -10.836 0.072 13.278 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.984 1.721 13.895 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.503 1.543 6.442 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.407 1.095 5.593 1.00 0.00 C ATOM 1753 C CYS A 114 -3.133 0.891 6.408 1.00 0.00 C ATOM 1754 O CYS A 114 -2.355 1.824 6.601 1.00 0.00 O ATOM 1755 CB CYS A 114 -4.152 2.107 4.474 1.00 0.00 C ATOM 1756 SG CYS A 114 -5.642 2.610 3.582 1.00 0.00 S ATOM 0 H CYS A 114 -5.234 2.217 7.159 1.00 0.00 H new ATOM 0 HA CYS A 114 -4.692 0.140 5.152 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -3.680 2.992 4.900 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.444 1.678 3.765 1.00 0.00 H new ATOM 0 HG CYS A 114 -6.553 2.980 4.433 1.00 0.00 H new ATOM 1762 N THR A 115 -2.926 -0.333 6.884 1.00 0.00 N ATOM 1763 CA THR A 115 -1.744 -0.649 7.676 1.00 0.00 C ATOM 1764 C THR A 115 -0.684 -1.347 6.833 1.00 0.00 C ATOM 1765 O THR A 115 -0.999 -2.195 5.998 1.00 0.00 O ATOM 1766 CB THR A 115 -2.103 -1.539 8.865 1.00 0.00 C ATOM 1767 OG1 THR A 115 -3.083 -0.923 9.682 1.00 0.00 O ATOM 1768 CG2 THR A 115 -0.914 -1.870 9.738 1.00 0.00 C ATOM 0 H THR A 115 -3.559 -1.119 6.735 1.00 0.00 H new ATOM 0 HA THR A 115 -1.342 0.296 8.041 1.00 0.00 H new ATOM 0 HB THR A 115 -2.485 -2.463 8.430 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.644 -0.446 10.417 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.235 -2.504 10.564 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.164 -2.396 9.147 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.485 -0.949 10.133 1.00 0.00 H new ATOM 1776 N ILE A 116 0.575 -1.007 7.080 1.00 0.00 N ATOM 1777 CA ILE A 116 1.687 -1.626 6.367 1.00 0.00 C ATOM 1778 C ILE A 116 2.649 -2.245 7.360 1.00 0.00 C ATOM 1779 O ILE A 116 2.880 -1.700 8.439 1.00 0.00 O ATOM 1780 CB ILE A 116 2.466 -0.642 5.464 1.00 0.00 C ATOM 1781 CG1 ILE A 116 1.981 0.789 5.678 1.00 0.00 C ATOM 1782 CG2 ILE A 116 2.333 -1.048 4.001 1.00 0.00 C ATOM 1783 CD1 ILE A 116 2.483 1.772 4.635 1.00 0.00 C ATOM 0 H ILE A 116 0.852 -0.307 7.768 1.00 0.00 H new ATOM 0 HA ILE A 116 1.250 -2.383 5.716 1.00 0.00 H new ATOM 0 HB ILE A 116 3.520 -0.682 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.891 0.797 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.300 1.127 6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 116 2.886 -0.346 3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.736 -2.051 3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.281 -1.037 3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.095 2.766 4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.573 1.795 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.142 1.461 3.648 1.00 0.00 H new ATOM 1795 N CYS A 117 3.192 -3.395 7.006 1.00 0.00 N ATOM 1796 CA CYS A 117 4.110 -4.089 7.893 1.00 0.00 C ATOM 1797 C CYS A 117 5.373 -4.540 7.168 1.00 0.00 C ATOM 1798 O CYS A 117 5.310 -5.095 6.071 1.00 0.00 O ATOM 1799 CB CYS A 117 3.412 -5.301 8.509 1.00 0.00 C ATOM 1800 SG CYS A 117 1.834 -4.921 9.302 1.00 0.00 S ATOM 0 H CYS A 117 3.016 -3.866 6.118 1.00 0.00 H new ATOM 0 HA CYS A 117 4.408 -3.390 8.674 1.00 0.00 H new ATOM 0 HB2 CYS A 117 3.245 -6.045 7.730 1.00 0.00 H new ATOM 0 HB3 CYS A 117 4.076 -5.754 9.245 1.00 0.00 H new ATOM 0 HG CYS A 117 0.906 -4.823 8.397 1.00 0.00 H new ATOM 1806 N ASP A 118 6.519 -4.315 7.804 1.00 0.00 N ATOM 1807 CA ASP A 118 7.800 -4.717 7.235 1.00 0.00 C ATOM 1808 C ASP A 118 7.859 -6.232 7.089 1.00 0.00 C ATOM 1809 O ASP A 118 7.284 -6.963 7.895 1.00 0.00 O ATOM 1810 CB ASP A 118 8.950 -4.232 8.120 1.00 0.00 C ATOM 1811 CG ASP A 118 8.730 -4.560 9.585 1.00 0.00 C ATOM 1812 OD1 ASP A 118 8.002 -3.801 10.259 1.00 0.00 O ATOM 1813 OD2 ASP A 118 9.286 -5.574 10.055 1.00 0.00 O ATOM 0 H ASP A 118 6.586 -3.857 8.713 1.00 0.00 H new ATOM 0 HA ASP A 118 7.900 -4.263 6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 118 9.881 -4.689 7.784 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.064 -3.154 8.005 1.00 0.00 H new ATOM 1818 N VAL A 119 8.552 -6.705 6.059 1.00 0.00 N ATOM 1819 CA VAL A 119 8.674 -8.135 5.824 1.00 0.00 C ATOM 1820 C VAL A 119 9.960 -8.670 6.441 1.00 0.00 C ATOM 1821 O VAL A 119 11.049 -8.476 5.902 1.00 0.00 O ATOM 1822 CB VAL A 119 8.647 -8.470 4.320 1.00 0.00 C ATOM 1823 CG1 VAL A 119 8.332 -9.944 4.107 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.637 -7.591 3.592 1.00 0.00 C ATOM 0 H VAL A 119 9.035 -6.120 5.377 1.00 0.00 H new ATOM 0 HA VAL A 119 7.816 -8.614 6.297 1.00 0.00 H new ATOM 0 HB VAL A 119 9.634 -8.268 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 119 8.317 -10.162 3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 119 9.095 -10.553 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 119 7.358 -10.174 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.633 -7.843 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.643 -7.757 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.911 -6.543 3.715 1.00 0.00 H new ATOM 1834 N VAL A 120 9.824 -9.332 7.582 1.00 0.00 N ATOM 1835 CA VAL A 120 10.970 -9.887 8.286 1.00 0.00 C ATOM 1836 C VAL A 120 10.772 -11.373 8.557 1.00 0.00 C ATOM 1837 O VAL A 120 9.669 -11.812 8.874 1.00 0.00 O ATOM 1838 CB VAL A 120 11.215 -9.153 9.620 1.00 0.00 C ATOM 1839 CG1 VAL A 120 12.052 -7.904 9.394 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.895 -8.799 10.289 1.00 0.00 C ATOM 0 H VAL A 120 8.928 -9.498 8.040 1.00 0.00 H new ATOM 0 HA VAL A 120 11.841 -9.752 7.644 1.00 0.00 H new ATOM 0 HB VAL A 120 11.765 -9.821 10.283 1.00 0.00 H new ATOM 0 HG11 VAL A 120 12.215 -7.398 10.346 1.00 0.00 H new ATOM 0 HG12 VAL A 120 13.013 -8.183 8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.529 -7.234 8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.090 -8.282 11.228 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.316 -8.150 9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.331 -9.711 10.487 1.00 0.00 H new ATOM 1850 N LYS A 121 11.846 -12.145 8.426 1.00 0.00 N ATOM 1851 CA LYS A 121 11.781 -13.583 8.651 1.00 0.00 C ATOM 1852 C LYS A 121 11.683 -13.900 10.139 1.00 0.00 C ATOM 1853 O LYS A 121 12.395 -13.320 10.958 1.00 0.00 O ATOM 1854 CB LYS A 121 13.009 -14.269 8.051 1.00 0.00 C ATOM 1855 CG LYS A 121 12.794 -15.744 7.749 1.00 0.00 C ATOM 1856 CD LYS A 121 11.898 -15.939 6.537 1.00 0.00 C ATOM 1857 CE LYS A 121 12.707 -16.245 5.287 1.00 0.00 C ATOM 1858 NZ LYS A 121 12.194 -15.510 4.098 1.00 0.00 N ATOM 0 H LYS A 121 12.770 -11.799 8.166 1.00 0.00 H new ATOM 0 HA LYS A 121 10.884 -13.961 8.160 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.289 -13.755 7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 121 13.846 -14.166 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.756 -16.224 7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.348 -16.233 8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 121 11.199 -16.754 6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 121 11.303 -15.040 6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.750 -15.978 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.680 -17.317 5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.823 -15.680 3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 11.236 -15.845 3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.164 -14.491 4.306 1.00 0.00 H new ATOM 1872 N GLU A 122 10.791 -14.825 10.479 1.00 0.00 N ATOM 1873 CA GLU A 122 10.591 -15.223 11.866 1.00 0.00 C ATOM 1874 C GLU A 122 11.709 -16.148 12.335 1.00 0.00 C ATOM 1875 O GLU A 122 11.750 -17.323 11.968 1.00 0.00 O ATOM 1876 CB GLU A 122 9.233 -15.913 12.027 1.00 0.00 C ATOM 1877 CG GLU A 122 8.229 -15.100 12.829 1.00 0.00 C ATOM 1878 CD GLU A 122 7.749 -15.825 14.072 1.00 0.00 C ATOM 1879 OE1 GLU A 122 7.772 -17.073 14.077 1.00 0.00 O ATOM 1880 OE2 GLU A 122 7.351 -15.143 15.039 1.00 0.00 O ATOM 0 H GLU A 122 10.195 -15.313 9.811 1.00 0.00 H new ATOM 0 HA GLU A 122 10.610 -14.325 12.484 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.818 -16.115 11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.380 -16.877 12.515 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.683 -14.152 13.119 1.00 0.00 H new ATOM 0 HG3 GLU A 122 7.372 -14.863 12.198 1.00 0.00 H new