USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 668 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 59 LYS NZ :NH3+ -121:sc= 0.104 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.155 USER MOD Set 2.1: A 43 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 64 MET CE :methyl -148:sc= -0.0142 (180deg=-1.24) USER MOD Set 2.3: A 80 GLN : amide:sc= 0.358 X(o=0.34,f=0.068) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.649 K(o=0.65,f=-6.3!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -70:sc= 0.614 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.626 K(o=0.63,f=0) USER MOD Single : A 78 MET CE :methyl 162:sc= -0.139 (180deg=-0.699) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 86 HIS : no HD1:sc= -0.135 K(o=-0.14,f=-2.1) USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.12) USER MOD Single : A 93 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0.835) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 -9.604 3.497 -24.169 1.00 0.00 N ATOM 175 CA LEU A 14 -10.685 3.709 -25.132 1.00 0.00 C ATOM 176 C LEU A 14 -11.786 4.624 -24.560 1.00 0.00 C ATOM 177 O LEU A 14 -12.732 4.966 -25.272 1.00 0.00 O ATOM 178 CB LEU A 14 -11.238 2.333 -25.552 1.00 0.00 C ATOM 179 CG LEU A 14 -10.149 1.348 -26.054 1.00 0.00 C ATOM 180 CD1 LEU A 14 -10.069 0.120 -25.134 1.00 0.00 C ATOM 181 CD2 LEU A 14 -10.429 0.901 -27.496 1.00 0.00 C ATOM 0 HA LEU A 14 -10.297 4.225 -26.010 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.756 1.886 -24.704 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.978 2.474 -26.340 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.193 1.871 -26.035 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.300 -0.560 -25.501 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.818 0.439 -24.122 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.032 -0.391 -25.125 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.650 0.212 -27.821 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.397 0.402 -27.541 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.439 1.772 -28.151 1.00 0.00 H new ATOM 193 N LEU A 15 -11.668 5.007 -23.280 1.00 0.00 N ATOM 194 CA LEU A 15 -12.645 5.818 -22.549 1.00 0.00 C ATOM 195 C LEU A 15 -12.317 7.320 -22.593 1.00 0.00 C ATOM 196 O LEU A 15 -11.376 7.774 -23.244 1.00 0.00 O ATOM 197 CB LEU A 15 -12.763 5.321 -21.090 1.00 0.00 C ATOM 198 CG LEU A 15 -12.936 3.800 -20.886 1.00 0.00 C ATOM 199 CD1 LEU A 15 -13.166 3.522 -19.395 1.00 0.00 C ATOM 200 CD2 LEU A 15 -14.094 3.216 -21.708 1.00 0.00 C ATOM 0 H LEU A 15 -10.862 4.751 -22.709 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.607 5.696 -23.047 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.871 5.637 -20.550 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.611 5.825 -20.627 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.026 3.313 -21.236 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.290 2.450 -19.240 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.308 3.875 -18.822 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -14.064 4.043 -19.062 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -14.167 2.144 -21.524 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.027 3.698 -21.416 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.912 3.390 -22.768 1.00 0.00 H new ATOM 212 N SER A 16 -13.107 8.091 -21.855 1.00 0.00 N ATOM 213 CA SER A 16 -13.035 9.539 -21.709 1.00 0.00 C ATOM 214 C SER A 16 -12.428 9.948 -20.352 1.00 0.00 C ATOM 215 O SER A 16 -12.495 9.175 -19.386 1.00 0.00 O ATOM 216 CB SER A 16 -14.469 10.064 -21.824 1.00 0.00 C ATOM 217 OG SER A 16 -14.872 10.172 -23.182 1.00 0.00 O ATOM 0 H SER A 16 -13.868 7.692 -21.305 1.00 0.00 H new ATOM 0 HA SER A 16 -12.388 9.960 -22.479 1.00 0.00 H new ATOM 0 HB2 SER A 16 -15.147 9.395 -21.293 1.00 0.00 H new ATOM 0 HB3 SER A 16 -14.541 11.039 -21.342 1.00 0.00 H new ATOM 0 HG SER A 16 -15.792 10.508 -23.225 1.00 0.00 H new ATOM 223 N PRO A 17 -11.906 11.183 -20.230 1.00 0.00 N ATOM 224 CA PRO A 17 -11.308 11.701 -18.999 1.00 0.00 C ATOM 225 C PRO A 17 -12.295 11.753 -17.825 1.00 0.00 C ATOM 226 O PRO A 17 -11.876 11.659 -16.674 1.00 0.00 O ATOM 227 CB PRO A 17 -10.775 13.092 -19.362 1.00 0.00 C ATOM 228 CG PRO A 17 -11.664 13.525 -20.529 1.00 0.00 C ATOM 229 CD PRO A 17 -11.926 12.213 -21.257 1.00 0.00 C ATOM 0 HA PRO A 17 -10.516 11.040 -18.647 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.852 13.782 -18.522 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.724 13.056 -19.650 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -12.588 13.988 -20.183 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -11.165 14.251 -21.171 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.887 12.235 -21.771 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.164 12.026 -22.014 1.00 0.00 H new ATOM 237 N GLU A 18 -13.599 11.840 -18.107 1.00 0.00 N ATOM 238 CA GLU A 18 -14.672 11.823 -17.103 1.00 0.00 C ATOM 239 C GLU A 18 -15.136 10.406 -16.704 1.00 0.00 C ATOM 240 O GLU A 18 -15.840 10.261 -15.708 1.00 0.00 O ATOM 241 CB GLU A 18 -15.848 12.698 -17.574 1.00 0.00 C ATOM 242 CG GLU A 18 -16.522 12.207 -18.864 1.00 0.00 C ATOM 243 CD GLU A 18 -17.687 13.129 -19.254 1.00 0.00 C ATOM 244 OE1 GLU A 18 -18.833 12.891 -18.803 1.00 0.00 O ATOM 245 OE2 GLU A 18 -17.467 14.098 -20.019 1.00 0.00 O ATOM 0 H GLU A 18 -13.948 11.926 -19.062 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.254 12.246 -16.189 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -16.595 12.741 -16.781 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.490 13.716 -17.729 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.791 12.175 -19.672 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.888 11.190 -18.724 1.00 0.00 H new ATOM 252 N GLU A 19 -14.731 9.358 -17.434 1.00 0.00 N ATOM 253 CA GLU A 19 -15.035 7.956 -17.116 1.00 0.00 C ATOM 254 C GLU A 19 -14.018 7.381 -16.127 1.00 0.00 C ATOM 255 O GLU A 19 -14.376 6.818 -15.094 1.00 0.00 O ATOM 256 CB GLU A 19 -14.992 7.102 -18.392 1.00 0.00 C ATOM 257 CG GLU A 19 -16.230 7.225 -19.281 1.00 0.00 C ATOM 258 CD GLU A 19 -17.485 6.622 -18.631 1.00 0.00 C ATOM 259 OE1 GLU A 19 -17.583 5.376 -18.537 1.00 0.00 O ATOM 260 OE2 GLU A 19 -18.395 7.388 -18.231 1.00 0.00 O ATOM 0 H GLU A 19 -14.171 9.463 -18.280 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.030 7.931 -16.672 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.114 7.384 -18.973 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.865 6.057 -18.110 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.410 8.277 -19.504 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.042 6.726 -20.231 1.00 0.00 H new ATOM 267 N LEU A 20 -12.735 7.540 -16.456 1.00 0.00 N ATOM 268 CA LEU A 20 -11.586 7.012 -15.710 1.00 0.00 C ATOM 269 C LEU A 20 -11.546 7.603 -14.296 1.00 0.00 C ATOM 270 O LEU A 20 -11.440 6.884 -13.301 1.00 0.00 O ATOM 271 CB LEU A 20 -10.303 7.381 -16.479 1.00 0.00 C ATOM 272 CG LEU A 20 -10.272 6.920 -17.956 1.00 0.00 C ATOM 273 CD1 LEU A 20 -9.464 7.938 -18.766 1.00 0.00 C ATOM 274 CD2 LEU A 20 -9.705 5.503 -18.099 1.00 0.00 C ATOM 0 H LEU A 20 -12.454 8.063 -17.285 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.670 5.929 -15.617 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.178 8.463 -16.449 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.448 6.947 -15.960 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.291 6.876 -18.342 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.432 7.629 -19.811 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.935 8.918 -18.692 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.449 7.993 -18.372 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.700 5.217 -19.151 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.686 5.478 -17.712 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.324 4.805 -17.536 1.00 0.00 H new ATOM 286 N LYS A 21 -11.704 8.928 -14.211 1.00 0.00 N ATOM 287 CA LYS A 21 -11.828 9.647 -12.935 1.00 0.00 C ATOM 288 C LYS A 21 -13.067 9.208 -12.129 1.00 0.00 C ATOM 289 O LYS A 21 -12.967 9.052 -10.911 1.00 0.00 O ATOM 290 CB LYS A 21 -11.828 11.167 -13.188 1.00 0.00 C ATOM 291 CG LYS A 21 -10.427 11.807 -13.231 1.00 0.00 C ATOM 292 CD LYS A 21 -9.421 11.118 -14.167 1.00 0.00 C ATOM 293 CE LYS A 21 -8.159 11.981 -14.301 1.00 0.00 C ATOM 294 NZ LYS A 21 -7.149 11.351 -15.194 1.00 0.00 N ATOM 0 H LYS A 21 -11.750 9.536 -15.028 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.963 9.391 -12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.333 11.365 -14.133 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.412 11.653 -12.406 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.530 12.848 -13.537 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.016 11.811 -12.222 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.160 10.135 -13.775 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.871 10.961 -15.147 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.429 12.961 -14.693 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.722 12.141 -13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.312 11.965 -15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.872 10.427 -14.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.557 11.221 -16.142 1.00 0.00 H new ATOM 308 N ALA A 22 -14.205 8.938 -12.781 1.00 0.00 N ATOM 309 CA ALA A 22 -15.429 8.484 -12.105 1.00 0.00 C ATOM 310 C ALA A 22 -15.320 7.043 -11.579 1.00 0.00 C ATOM 311 O ALA A 22 -15.783 6.765 -10.472 1.00 0.00 O ATOM 312 CB ALA A 22 -16.624 8.653 -13.052 1.00 0.00 C ATOM 0 H ALA A 22 -14.304 9.028 -13.792 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.578 9.106 -11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.533 8.317 -12.554 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.726 9.703 -13.325 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -16.462 8.059 -13.951 1.00 0.00 H new ATOM 391 N GLU A 29 -12.956 1.949 -1.861 1.00 0.00 N ATOM 392 CA GLU A 29 -12.187 0.910 -1.168 1.00 0.00 C ATOM 393 C GLU A 29 -10.675 1.156 -1.284 1.00 0.00 C ATOM 394 O GLU A 29 -10.251 2.098 -1.951 1.00 0.00 O ATOM 395 CB GLU A 29 -12.540 -0.477 -1.731 1.00 0.00 C ATOM 396 CG GLU A 29 -13.313 -1.340 -0.732 1.00 0.00 C ATOM 397 CD GLU A 29 -12.454 -1.969 0.377 1.00 0.00 C ATOM 398 OE1 GLU A 29 -11.698 -1.236 1.052 1.00 0.00 O ATOM 399 OE2 GLU A 29 -12.570 -3.196 0.602 1.00 0.00 O ATOM 0 HA GLU A 29 -12.453 0.948 -0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.134 -0.357 -2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.623 -0.993 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.088 -0.729 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.818 -2.137 -1.277 1.00 0.00 H new ATOM 406 N TYR A 30 -9.858 0.302 -0.655 1.00 0.00 N ATOM 407 CA TYR A 30 -8.391 0.401 -0.621 1.00 0.00 C ATOM 408 C TYR A 30 -7.694 -0.827 -0.010 1.00 0.00 C ATOM 409 O TYR A 30 -8.206 -1.480 0.902 1.00 0.00 O ATOM 410 CB TYR A 30 -7.952 1.657 0.144 1.00 0.00 C ATOM 411 CG TYR A 30 -8.247 1.589 1.630 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.569 1.729 2.100 1.00 0.00 C ATOM 413 CD2 TYR A 30 -7.208 1.289 2.536 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.846 1.616 3.475 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.482 1.159 3.911 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.803 1.336 4.386 1.00 0.00 C ATOM 417 OH TYR A 30 -9.077 1.217 5.716 1.00 0.00 O ATOM 0 H TYR A 30 -10.210 -0.504 -0.138 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.082 0.457 -1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.882 1.806 -0.000 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.455 2.526 -0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.371 1.923 1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.199 1.159 2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.857 1.743 3.834 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.685 0.925 4.602 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.250 1.022 6.204 1.00 0.00 H new ATOM 427 N ALA A 31 -6.481 -1.101 -0.493 1.00 0.00 N ATOM 428 CA ALA A 31 -5.599 -2.172 -0.034 1.00 0.00 C ATOM 429 C ALA A 31 -4.129 -1.812 -0.292 1.00 0.00 C ATOM 430 O ALA A 31 -3.817 -1.035 -1.194 1.00 0.00 O ATOM 431 CB ALA A 31 -6.001 -3.473 -0.745 1.00 0.00 C ATOM 0 H ALA A 31 -6.069 -0.556 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.704 -2.309 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.352 -4.284 -0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.036 -3.715 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.900 -3.345 -1.823 1.00 0.00 H new ATOM 437 N TRP A 32 -3.228 -2.411 0.487 1.00 0.00 N ATOM 438 CA TRP A 32 -1.780 -2.364 0.262 1.00 0.00 C ATOM 439 C TRP A 32 -1.242 -3.755 -0.097 1.00 0.00 C ATOM 440 O TRP A 32 -1.753 -4.777 0.368 1.00 0.00 O ATOM 441 CB TRP A 32 -1.062 -1.800 1.496 1.00 0.00 C ATOM 442 CG TRP A 32 -1.190 -0.323 1.715 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.315 0.330 2.078 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.159 0.708 1.587 1.00 0.00 C ATOM 445 NE1 TRP A 32 -2.058 1.680 2.184 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.732 1.966 1.942 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.205 0.711 1.213 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.012 3.155 1.956 1.00 0.00 C ATOM 449 CZ3 TRP A 32 1.958 1.902 1.217 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.366 3.120 1.596 1.00 0.00 C ATOM 0 H TRP A 32 -3.488 -2.954 1.310 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.583 -1.699 -0.579 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.444 -2.312 2.379 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.003 -2.045 1.418 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.273 -0.136 2.258 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.763 2.381 2.413 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.677 -0.215 0.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.453 4.087 2.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.998 1.879 0.927 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.953 4.026 1.610 1.00 0.00 H new ATOM 461 N TYR A 33 -0.177 -3.785 -0.897 1.00 0.00 N ATOM 462 CA TYR A 33 0.482 -5.004 -1.377 1.00 0.00 C ATOM 463 C TYR A 33 2.013 -4.887 -1.316 1.00 0.00 C ATOM 464 O TYR A 33 2.561 -3.786 -1.314 1.00 0.00 O ATOM 465 CB TYR A 33 0.045 -5.307 -2.823 1.00 0.00 C ATOM 466 CG TYR A 33 -1.412 -5.670 -3.039 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.405 -4.671 -3.031 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.770 -7.006 -3.316 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.752 -5.009 -3.247 1.00 0.00 C ATOM 470 CE2 TYR A 33 -3.117 -7.348 -3.542 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.116 -6.349 -3.499 1.00 0.00 C ATOM 472 OH TYR A 33 -5.424 -6.667 -3.709 1.00 0.00 O ATOM 0 H TYR A 33 0.267 -2.934 -1.242 1.00 0.00 H new ATOM 0 HA TYR A 33 0.180 -5.820 -0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.271 -4.434 -3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.658 -6.127 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.130 -3.641 -2.858 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.008 -7.770 -3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.511 -4.241 -3.220 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.387 -8.373 -3.748 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.505 -7.630 -3.869 1.00 0.00 H new ATOM 482 N TYR A 34 2.702 -6.029 -1.330 1.00 0.00 N ATOM 483 CA TYR A 34 4.164 -6.153 -1.410 1.00 0.00 C ATOM 484 C TYR A 34 4.576 -7.209 -2.453 1.00 0.00 C ATOM 485 O TYR A 34 3.851 -8.183 -2.662 1.00 0.00 O ATOM 486 CB TYR A 34 4.733 -6.493 -0.023 1.00 0.00 C ATOM 487 CG TYR A 34 4.334 -7.845 0.545 1.00 0.00 C ATOM 488 CD1 TYR A 34 3.130 -7.982 1.265 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.180 -8.959 0.380 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.766 -9.226 1.812 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.827 -10.208 0.930 1.00 0.00 C ATOM 492 CZ TYR A 34 3.617 -10.343 1.652 1.00 0.00 C ATOM 493 OH TYR A 34 3.268 -11.545 2.188 1.00 0.00 O ATOM 0 H TYR A 34 2.238 -6.936 -1.284 1.00 0.00 H new ATOM 0 HA TYR A 34 4.579 -5.199 -1.734 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.821 -6.450 -0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.418 -5.719 0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.483 -7.127 1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.103 -8.856 -0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.837 -9.327 2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.478 -11.060 0.801 1.00 0.00 H new ATOM 0 HH TYR A 34 3.962 -12.207 1.986 1.00 0.00 H new ATOM 503 N GLU A 35 5.724 -7.029 -3.114 1.00 0.00 N ATOM 504 CA GLU A 35 6.263 -8.022 -4.053 1.00 0.00 C ATOM 505 C GLU A 35 6.968 -9.149 -3.284 1.00 0.00 C ATOM 506 O GLU A 35 8.019 -8.936 -2.675 1.00 0.00 O ATOM 507 CB GLU A 35 7.223 -7.395 -5.082 1.00 0.00 C ATOM 508 CG GLU A 35 6.506 -6.457 -6.060 1.00 0.00 C ATOM 509 CD GLU A 35 7.369 -6.067 -7.276 1.00 0.00 C ATOM 510 OE1 GLU A 35 7.846 -6.972 -8.001 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.550 -4.852 -7.533 1.00 0.00 O ATOM 0 H GLU A 35 6.304 -6.196 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 35 5.420 -8.433 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.001 -6.841 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.719 -8.188 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.593 -6.938 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.206 -5.552 -5.531 1.00 0.00 H new ATOM 518 N GLY A 36 6.388 -10.353 -3.329 1.00 0.00 N ATOM 519 CA GLY A 36 7.002 -11.597 -2.850 1.00 0.00 C ATOM 520 C GLY A 36 7.628 -12.405 -3.991 1.00 0.00 C ATOM 521 O GLY A 36 7.884 -11.882 -5.079 1.00 0.00 O ATOM 0 H GLY A 36 5.452 -10.493 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.767 -11.362 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.248 -12.203 -2.348 1.00 0.00 H new ATOM 525 N ARG A 37 7.860 -13.700 -3.746 1.00 0.00 N ATOM 526 CA ARG A 37 8.489 -14.629 -4.702 1.00 0.00 C ATOM 527 C ARG A 37 7.693 -14.778 -6.013 1.00 0.00 C ATOM 528 O ARG A 37 8.274 -14.764 -7.099 1.00 0.00 O ATOM 529 CB ARG A 37 8.649 -15.996 -4.010 1.00 0.00 C ATOM 530 CG ARG A 37 9.488 -16.990 -4.831 1.00 0.00 C ATOM 531 CD ARG A 37 9.420 -18.395 -4.220 1.00 0.00 C ATOM 532 NE ARG A 37 10.208 -19.367 -5.000 1.00 0.00 N ATOM 533 CZ ARG A 37 9.842 -19.972 -6.126 1.00 0.00 C ATOM 534 NH1 ARG A 37 8.690 -19.729 -6.719 1.00 0.00 N ATOM 535 NH2 ARG A 37 10.650 -20.848 -6.683 1.00 0.00 N ATOM 0 H ARG A 37 7.612 -14.144 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 37 9.458 -14.220 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.117 -15.852 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.663 -16.424 -3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.125 -17.017 -5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.524 -16.654 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.791 -18.365 -3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.381 -18.722 -4.174 1.00 0.00 H new ATOM 0 HE ARG A 37 11.132 -19.600 -4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.041 -19.054 -6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.448 -20.215 -7.582 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.550 -21.059 -6.251 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.377 -21.317 -7.547 1.00 0.00 H new ATOM 549 N ASN A 38 6.366 -14.908 -5.906 1.00 0.00 N ATOM 550 CA ASN A 38 5.474 -15.282 -7.017 1.00 0.00 C ATOM 551 C ASN A 38 4.630 -14.112 -7.584 1.00 0.00 C ATOM 552 O ASN A 38 3.953 -14.285 -8.602 1.00 0.00 O ATOM 553 CB ASN A 38 4.585 -16.458 -6.560 1.00 0.00 C ATOM 554 CG ASN A 38 5.319 -17.795 -6.406 1.00 0.00 C ATOM 555 OD1 ASN A 38 6.521 -17.874 -6.175 1.00 0.00 O ATOM 556 ND2 ASN A 38 4.607 -18.900 -6.525 1.00 0.00 N ATOM 0 H ASN A 38 5.869 -14.754 -5.029 1.00 0.00 H new ATOM 0 HA ASN A 38 6.104 -15.584 -7.854 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.126 -16.199 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.776 -16.584 -7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.057 -19.810 -6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.607 -18.844 -6.717 1.00 0.00 H new ATOM 563 N GLY A 39 4.674 -12.925 -6.962 1.00 0.00 N ATOM 564 CA GLY A 39 3.967 -11.706 -7.388 1.00 0.00 C ATOM 565 C GLY A 39 3.575 -10.802 -6.218 1.00 0.00 C ATOM 566 O GLY A 39 4.122 -10.923 -5.121 1.00 0.00 O ATOM 0 H GLY A 39 5.224 -12.781 -6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.601 -11.146 -8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.070 -11.987 -7.939 1.00 0.00 H new ATOM 570 N TRP A 40 2.629 -9.890 -6.455 1.00 0.00 N ATOM 571 CA TRP A 40 2.019 -9.056 -5.416 1.00 0.00 C ATOM 572 C TRP A 40 1.148 -9.873 -4.447 1.00 0.00 C ATOM 573 O TRP A 40 0.284 -10.641 -4.877 1.00 0.00 O ATOM 574 CB TRP A 40 1.172 -7.963 -6.080 1.00 0.00 C ATOM 575 CG TRP A 40 1.946 -6.994 -6.911 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.023 -7.002 -8.260 1.00 0.00 C ATOM 577 CD2 TRP A 40 2.780 -5.882 -6.468 1.00 0.00 C ATOM 578 NE1 TRP A 40 2.843 -5.977 -8.679 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.318 -5.233 -7.618 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.127 -5.355 -5.207 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.142 -4.101 -7.522 1.00 0.00 C ATOM 582 CZ3 TRP A 40 3.959 -4.224 -5.100 1.00 0.00 C ATOM 583 CH2 TRP A 40 4.461 -3.590 -6.251 1.00 0.00 C ATOM 0 H TRP A 40 2.260 -9.707 -7.388 1.00 0.00 H new ATOM 0 HA TRP A 40 2.823 -8.612 -4.830 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.418 -8.438 -6.707 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.641 -7.412 -5.304 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.520 -7.703 -8.909 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.071 -5.791 -9.655 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.750 -5.825 -4.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.527 -3.628 -8.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.214 -3.839 -4.124 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.088 -2.715 -6.159 1.00 0.00 H new ATOM 594 N TRP A 41 1.327 -9.637 -3.144 1.00 0.00 N ATOM 595 CA TRP A 41 0.552 -10.243 -2.054 1.00 0.00 C ATOM 596 C TRP A 41 0.053 -9.161 -1.087 1.00 0.00 C ATOM 597 O TRP A 41 0.753 -8.184 -0.828 1.00 0.00 O ATOM 598 CB TRP A 41 1.411 -11.315 -1.363 1.00 0.00 C ATOM 599 CG TRP A 41 1.840 -12.413 -2.289 1.00 0.00 C ATOM 600 CD1 TRP A 41 3.114 -12.734 -2.608 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.996 -13.271 -3.117 1.00 0.00 C ATOM 602 NE1 TRP A 41 3.115 -13.697 -3.599 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.834 -14.026 -3.989 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.397 -13.446 -3.255 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.317 -14.871 -4.983 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -0.928 -14.303 -4.237 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.076 -15.008 -5.107 1.00 0.00 C ATOM 0 H TRP A 41 2.043 -8.994 -2.805 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.338 -10.735 -2.448 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.295 -10.843 -0.935 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.847 -11.746 -0.535 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.996 -12.304 -2.157 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.959 -14.113 -3.993 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.067 -12.914 -2.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.981 -15.409 -5.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.998 -14.420 -4.323 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.491 -15.652 -5.868 1.00 0.00 H new ATOM 618 N GLN A 42 -1.188 -9.296 -0.615 1.00 0.00 N ATOM 619 CA GLN A 42 -1.890 -8.249 0.134 1.00 0.00 C ATOM 620 C GLN A 42 -1.516 -8.268 1.628 1.00 0.00 C ATOM 621 O GLN A 42 -1.421 -9.331 2.244 1.00 0.00 O ATOM 622 CB GLN A 42 -3.407 -8.427 -0.064 1.00 0.00 C ATOM 623 CG GLN A 42 -4.194 -7.145 0.254 1.00 0.00 C ATOM 624 CD GLN A 42 -5.711 -7.344 0.200 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.254 -8.100 -0.599 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.465 -6.685 1.057 1.00 0.00 N ATOM 0 H GLN A 42 -1.741 -10.144 -0.743 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.585 -7.275 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.604 -8.725 -1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.762 -9.236 0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.915 -6.791 1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.910 -6.366 -0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.036 -6.051 1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.477 -6.809 1.046 1.00 0.00 H new ATOM 635 N TYR A 43 -1.345 -7.085 2.224 1.00 0.00 N ATOM 636 CA TYR A 43 -1.210 -6.910 3.677 1.00 0.00 C ATOM 637 C TYR A 43 -2.541 -7.156 4.423 1.00 0.00 C ATOM 638 O TYR A 43 -3.630 -6.962 3.878 1.00 0.00 O ATOM 639 CB TYR A 43 -0.699 -5.492 3.970 1.00 0.00 C ATOM 640 CG TYR A 43 0.779 -5.274 3.730 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.715 -5.685 4.697 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.218 -4.614 2.567 1.00 0.00 C ATOM 643 CE1 TYR A 43 3.086 -5.431 4.508 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.585 -4.351 2.371 1.00 0.00 C ATOM 645 CZ TYR A 43 3.523 -4.761 3.342 1.00 0.00 C ATOM 646 OH TYR A 43 4.845 -4.527 3.137 1.00 0.00 O ATOM 0 H TYR A 43 -1.295 -6.208 1.706 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.497 -7.651 4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.258 -4.788 3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.921 -5.251 5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.380 -6.197 5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.500 -4.308 1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.803 -5.747 5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.916 -3.837 1.481 1.00 0.00 H new ATOM 0 HH TYR A 43 5.372 -5.234 3.564 1.00 0.00 H new ATOM 656 N ASP A 44 -2.451 -7.542 5.701 1.00 0.00 N ATOM 657 CA ASP A 44 -3.604 -7.717 6.597 1.00 0.00 C ATOM 658 C ASP A 44 -4.335 -6.390 6.872 1.00 0.00 C ATOM 659 O ASP A 44 -3.740 -5.312 6.794 1.00 0.00 O ATOM 660 CB ASP A 44 -3.135 -8.345 7.918 1.00 0.00 C ATOM 661 CG ASP A 44 -2.604 -9.774 7.727 1.00 0.00 C ATOM 662 OD1 ASP A 44 -3.431 -10.716 7.682 1.00 0.00 O ATOM 663 OD2 ASP A 44 -1.366 -9.949 7.631 1.00 0.00 O ATOM 0 H ASP A 44 -1.559 -7.746 6.151 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.314 -8.378 6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.353 -7.724 8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.964 -8.359 8.626 1.00 0.00 H new ATOM 668 N GLU A 45 -5.614 -6.457 7.260 1.00 0.00 N ATOM 669 CA GLU A 45 -6.444 -5.284 7.577 1.00 0.00 C ATOM 670 C GLU A 45 -5.947 -4.520 8.819 1.00 0.00 C ATOM 671 O GLU A 45 -6.263 -3.343 8.994 1.00 0.00 O ATOM 672 CB GLU A 45 -7.921 -5.705 7.736 1.00 0.00 C ATOM 673 CG GLU A 45 -8.132 -6.906 8.677 1.00 0.00 C ATOM 674 CD GLU A 45 -9.607 -7.098 9.062 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.460 -7.289 8.165 1.00 0.00 O ATOM 676 OE2 GLU A 45 -9.906 -7.087 10.280 1.00 0.00 O ATOM 0 H GLU A 45 -6.111 -7.341 7.365 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.360 -4.591 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.491 -4.856 8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.326 -5.950 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.765 -7.811 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.539 -6.764 9.581 1.00 0.00 H new ATOM 683 N ARG A 46 -5.131 -5.173 9.658 1.00 0.00 N ATOM 684 CA ARG A 46 -4.524 -4.588 10.862 1.00 0.00 C ATOM 685 C ARG A 46 -3.154 -3.946 10.579 1.00 0.00 C ATOM 686 O ARG A 46 -2.662 -3.167 11.400 1.00 0.00 O ATOM 687 CB ARG A 46 -4.403 -5.658 11.965 1.00 0.00 C ATOM 688 CG ARG A 46 -5.642 -6.558 12.164 1.00 0.00 C ATOM 689 CD ARG A 46 -6.962 -5.776 12.248 1.00 0.00 C ATOM 690 NE ARG A 46 -8.127 -6.657 12.428 1.00 0.00 N ATOM 691 CZ ARG A 46 -8.553 -7.247 13.535 1.00 0.00 C ATOM 692 NH1 ARG A 46 -7.923 -7.139 14.688 1.00 0.00 N ATOM 693 NH2 ARG A 46 -9.651 -7.966 13.475 1.00 0.00 N ATOM 0 H ARG A 46 -4.868 -6.148 9.514 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.182 -3.788 11.202 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.548 -6.294 11.736 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.185 -5.158 12.909 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.702 -7.268 11.339 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.515 -7.140 13.077 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.911 -5.072 13.078 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.091 -5.189 11.339 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.679 -6.837 11.590 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.070 -6.583 14.753 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.288 -7.611 15.515 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.152 -8.059 12.592 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.002 -8.432 14.312 1.00 0.00 H new ATOM 707 N THR A 47 -2.553 -4.258 9.419 1.00 0.00 N ATOM 708 CA THR A 47 -1.224 -3.795 8.986 1.00 0.00 C ATOM 709 C THR A 47 -1.334 -2.727 7.910 1.00 0.00 C ATOM 710 O THR A 47 -0.770 -1.650 8.062 1.00 0.00 O ATOM 711 CB THR A 47 -0.374 -4.980 8.519 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.302 -5.903 9.586 1.00 0.00 O ATOM 713 CG2 THR A 47 1.047 -4.538 8.166 1.00 0.00 C ATOM 0 H THR A 47 -2.998 -4.864 8.729 1.00 0.00 H new ATOM 0 HA THR A 47 -0.725 -3.337 9.840 1.00 0.00 H new ATOM 0 HB THR A 47 -0.829 -5.418 7.631 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.236 -6.676 9.314 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.626 -5.401 7.838 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.010 -3.800 7.364 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.519 -4.097 9.044 1.00 0.00 H new ATOM 721 N SER A 48 -2.112 -2.972 6.858 1.00 0.00 N ATOM 722 CA SER A 48 -2.316 -2.009 5.763 1.00 0.00 C ATOM 723 C SER A 48 -2.911 -0.679 6.233 1.00 0.00 C ATOM 724 O SER A 48 -2.579 0.374 5.683 1.00 0.00 O ATOM 725 CB SER A 48 -3.197 -2.610 4.662 1.00 0.00 C ATOM 726 OG SER A 48 -4.474 -3.009 5.138 1.00 0.00 O ATOM 0 H SER A 48 -2.623 -3.846 6.735 1.00 0.00 H new ATOM 0 HA SER A 48 -1.325 -1.796 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.324 -1.878 3.864 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.691 -3.472 4.227 1.00 0.00 H new ATOM 0 HG SER A 48 -4.376 -3.792 5.719 1.00 0.00 H new ATOM 732 N ARG A 49 -3.703 -0.693 7.316 1.00 0.00 N ATOM 733 CA ARG A 49 -4.222 0.529 7.929 1.00 0.00 C ATOM 734 C ARG A 49 -3.110 1.434 8.466 1.00 0.00 C ATOM 735 O ARG A 49 -3.280 2.647 8.467 1.00 0.00 O ATOM 736 CB ARG A 49 -5.290 0.202 8.985 1.00 0.00 C ATOM 737 CG ARG A 49 -4.762 -0.332 10.332 1.00 0.00 C ATOM 738 CD ARG A 49 -4.240 0.704 11.349 1.00 0.00 C ATOM 739 NE ARG A 49 -5.130 1.870 11.513 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.745 3.129 11.710 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.498 3.468 11.951 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.629 4.102 11.672 1.00 0.00 N ATOM 0 H ARG A 49 -3.998 -1.549 7.786 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.711 1.108 7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.872 1.103 9.176 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.974 -0.536 8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.563 -0.898 10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.956 -1.035 10.123 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.110 0.218 12.316 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.257 1.050 11.031 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.134 1.695 11.472 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.774 2.751 11.994 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.255 4.448 12.095 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.611 3.892 11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.333 5.066 11.823 1.00 0.00 H new ATOM 756 N GLU A 50 -1.965 0.878 8.886 1.00 0.00 N ATOM 757 CA GLU A 50 -0.844 1.674 9.409 1.00 0.00 C ATOM 758 C GLU A 50 -0.168 2.439 8.263 1.00 0.00 C ATOM 759 O GLU A 50 0.173 3.613 8.394 1.00 0.00 O ATOM 760 CB GLU A 50 0.194 0.780 10.117 1.00 0.00 C ATOM 761 CG GLU A 50 -0.345 -0.037 11.302 1.00 0.00 C ATOM 762 CD GLU A 50 -0.537 0.823 12.561 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.452 1.677 12.579 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.217 0.639 13.547 1.00 0.00 O ATOM 0 H GLU A 50 -1.790 -0.127 8.874 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.242 2.380 10.138 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.617 0.092 9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.010 1.409 10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.297 -0.491 11.025 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.344 -0.852 11.523 1.00 0.00 H new ATOM 771 N LEU A 51 -0.046 1.774 7.111 1.00 0.00 N ATOM 772 CA LEU A 51 0.527 2.306 5.878 1.00 0.00 C ATOM 773 C LEU A 51 -0.381 3.395 5.283 1.00 0.00 C ATOM 774 O LEU A 51 0.094 4.476 4.929 1.00 0.00 O ATOM 775 CB LEU A 51 0.729 1.134 4.894 1.00 0.00 C ATOM 776 CG LEU A 51 1.418 -0.125 5.464 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.477 -1.229 4.404 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.825 0.194 5.974 1.00 0.00 C ATOM 0 H LEU A 51 -0.358 0.808 7.011 1.00 0.00 H new ATOM 0 HA LEU A 51 1.490 2.775 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.246 0.843 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.317 1.493 4.049 1.00 0.00 H new ATOM 0 HG LEU A 51 0.824 -0.476 6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.966 -2.109 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.465 -1.489 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.042 -0.876 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.283 -0.713 6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.431 0.579 5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.765 0.943 6.763 1.00 0.00 H new ATOM 790 N GLU A 52 -1.690 3.127 5.242 1.00 0.00 N ATOM 791 CA GLU A 52 -2.727 4.053 4.779 1.00 0.00 C ATOM 792 C GLU A 52 -2.839 5.311 5.664 1.00 0.00 C ATOM 793 O GLU A 52 -3.151 6.394 5.170 1.00 0.00 O ATOM 794 CB GLU A 52 -4.072 3.299 4.749 1.00 0.00 C ATOM 795 CG GLU A 52 -5.215 4.045 4.042 1.00 0.00 C ATOM 796 CD GLU A 52 -5.070 4.128 2.514 1.00 0.00 C ATOM 797 OE1 GLU A 52 -4.105 3.579 1.934 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.933 4.762 1.868 1.00 0.00 O ATOM 0 H GLU A 52 -2.069 2.228 5.541 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.456 4.402 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.923 2.339 4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.376 3.086 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.157 3.550 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.276 5.056 4.444 1.00 0.00 H new ATOM 805 N ASP A 53 -2.564 5.197 6.966 1.00 0.00 N ATOM 806 CA ASP A 53 -2.635 6.305 7.924 1.00 0.00 C ATOM 807 C ASP A 53 -1.375 7.172 7.852 1.00 0.00 C ATOM 808 O ASP A 53 -1.444 8.393 7.911 1.00 0.00 O ATOM 809 CB ASP A 53 -2.804 5.708 9.329 1.00 0.00 C ATOM 810 CG ASP A 53 -3.236 6.684 10.433 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.790 7.767 10.138 1.00 0.00 O ATOM 812 OD2 ASP A 53 -3.088 6.300 11.619 1.00 0.00 O ATOM 0 H ASP A 53 -2.280 4.315 7.393 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.482 6.948 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.540 4.906 9.274 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.858 5.254 9.624 1.00 0.00 H new ATOM 817 N ALA A 54 -0.219 6.538 7.674 1.00 0.00 N ATOM 818 CA ALA A 54 1.094 7.181 7.649 1.00 0.00 C ATOM 819 C ALA A 54 1.258 8.234 6.539 1.00 0.00 C ATOM 820 O ALA A 54 1.633 9.372 6.841 1.00 0.00 O ATOM 821 CB ALA A 54 2.143 6.076 7.562 1.00 0.00 C ATOM 0 H ALA A 54 -0.168 5.528 7.539 1.00 0.00 H new ATOM 0 HA ALA A 54 1.219 7.758 8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.138 6.520 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.055 5.422 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.986 5.496 6.653 1.00 0.00 H new ATOM 827 N PHE A 55 0.923 7.907 5.283 1.00 0.00 N ATOM 828 CA PHE A 55 0.992 8.885 4.183 1.00 0.00 C ATOM 829 C PHE A 55 -0.072 9.992 4.328 1.00 0.00 C ATOM 830 O PHE A 55 0.065 11.078 3.768 1.00 0.00 O ATOM 831 CB PHE A 55 0.925 8.185 2.811 1.00 0.00 C ATOM 832 CG PHE A 55 -0.452 8.065 2.186 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.287 6.984 2.515 1.00 0.00 C ATOM 834 CD2 PHE A 55 -0.895 9.032 1.261 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.552 6.867 1.918 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.162 8.913 0.663 1.00 0.00 C ATOM 837 CZ PHE A 55 -2.992 7.827 0.990 1.00 0.00 C ATOM 0 H PHE A 55 0.603 6.980 5.002 1.00 0.00 H new ATOM 0 HA PHE A 55 1.960 9.381 4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.569 8.727 2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.341 7.183 2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.956 6.243 3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.259 9.868 1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.191 6.035 2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.497 9.655 -0.047 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.964 7.730 0.530 1.00 0.00 H new ATOM 847 N SER A 56 -1.109 9.719 5.120 1.00 0.00 N ATOM 848 CA SER A 56 -2.180 10.666 5.455 1.00 0.00 C ATOM 849 C SER A 56 -1.798 11.607 6.620 1.00 0.00 C ATOM 850 O SER A 56 -2.201 12.774 6.644 1.00 0.00 O ATOM 851 CB SER A 56 -3.459 9.881 5.789 1.00 0.00 C ATOM 852 OG SER A 56 -4.618 10.676 5.582 1.00 0.00 O ATOM 0 H SER A 56 -1.233 8.807 5.560 1.00 0.00 H new ATOM 0 HA SER A 56 -2.349 11.304 4.588 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.513 8.987 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.424 9.548 6.826 1.00 0.00 H new ATOM 0 HG SER A 56 -5.417 10.152 5.800 1.00 0.00 H new ATOM 858 N LYS A 57 -0.968 11.139 7.562 1.00 0.00 N ATOM 859 CA LYS A 57 -0.434 11.924 8.685 1.00 0.00 C ATOM 860 C LYS A 57 0.639 12.920 8.225 1.00 0.00 C ATOM 861 O LYS A 57 0.662 14.065 8.682 1.00 0.00 O ATOM 862 CB LYS A 57 0.174 10.964 9.722 1.00 0.00 C ATOM 863 CG LYS A 57 -0.867 10.240 10.590 1.00 0.00 C ATOM 864 CD LYS A 57 -0.311 8.914 11.133 1.00 0.00 C ATOM 865 CE LYS A 57 1.029 9.054 11.877 1.00 0.00 C ATOM 866 NZ LYS A 57 0.832 9.382 13.316 1.00 0.00 N ATOM 0 H LYS A 57 -0.639 10.174 7.564 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.254 12.494 9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.779 10.221 9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.846 11.525 10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.161 10.881 11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.764 10.048 10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.045 8.473 11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.183 8.219 10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.592 8.125 11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.627 9.834 11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.758 9.468 13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.317 10.282 13.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.283 8.626 13.773 1.00 0.00 H new ATOM 880 N GLY A 58 1.524 12.476 7.322 1.00 0.00 N ATOM 881 CA GLY A 58 2.617 13.270 6.754 1.00 0.00 C ATOM 882 C GLY A 58 3.997 12.642 6.921 1.00 0.00 C ATOM 883 O GLY A 58 4.958 13.157 6.349 1.00 0.00 O ATOM 0 H GLY A 58 1.496 11.524 6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.426 13.424 5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.618 14.254 7.223 1.00 0.00 H new ATOM 887 N LYS A 59 4.125 11.541 7.676 1.00 0.00 N ATOM 888 CA LYS A 59 5.386 10.798 7.747 1.00 0.00 C ATOM 889 C LYS A 59 5.759 10.148 6.402 1.00 0.00 C ATOM 890 O LYS A 59 4.912 9.770 5.592 1.00 0.00 O ATOM 891 CB LYS A 59 5.388 9.784 8.906 1.00 0.00 C ATOM 892 CG LYS A 59 4.128 8.915 8.980 1.00 0.00 C ATOM 893 CD LYS A 59 4.318 7.670 9.855 1.00 0.00 C ATOM 894 CE LYS A 59 4.808 7.960 11.282 1.00 0.00 C ATOM 895 NZ LYS A 59 5.008 6.702 12.053 1.00 0.00 N ATOM 0 H LYS A 59 3.373 11.149 8.243 1.00 0.00 H new ATOM 0 HA LYS A 59 6.169 11.526 7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.258 9.135 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.500 10.324 9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.304 9.510 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.845 8.607 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.371 7.134 9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.031 7.005 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.744 8.516 11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.084 8.592 11.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.405 6.714 12.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.754 5.887 11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.005 6.625 12.339 1.00 0.00 H new ATOM 909 N LYS A 60 7.068 9.995 6.193 1.00 0.00 N ATOM 910 CA LYS A 60 7.678 9.493 4.949 1.00 0.00 C ATOM 911 C LYS A 60 8.059 8.004 5.019 1.00 0.00 C ATOM 912 O LYS A 60 8.578 7.439 4.057 1.00 0.00 O ATOM 913 CB LYS A 60 8.845 10.428 4.572 1.00 0.00 C ATOM 914 CG LYS A 60 10.130 10.245 5.395 1.00 0.00 C ATOM 915 CD LYS A 60 11.208 11.291 5.071 1.00 0.00 C ATOM 916 CE LYS A 60 10.812 12.707 5.517 1.00 0.00 C ATOM 917 NZ LYS A 60 11.884 13.694 5.224 1.00 0.00 N ATOM 0 H LYS A 60 7.761 10.223 6.906 1.00 0.00 H new ATOM 0 HA LYS A 60 6.942 9.519 4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.084 10.277 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.510 11.460 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.886 10.300 6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.533 9.249 5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.141 11.008 5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.397 11.292 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.894 13.005 5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.600 12.706 6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.582 14.638 5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.753 13.423 5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.069 13.713 4.201 1.00 0.00 H new ATOM 931 N ASN A 61 7.793 7.363 6.160 1.00 0.00 N ATOM 932 CA ASN A 61 8.032 5.946 6.450 1.00 0.00 C ATOM 933 C ASN A 61 7.387 5.581 7.793 1.00 0.00 C ATOM 934 O ASN A 61 7.336 6.412 8.703 1.00 0.00 O ATOM 935 CB ASN A 61 9.533 5.584 6.459 1.00 0.00 C ATOM 936 CG ASN A 61 10.306 6.247 7.592 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.581 7.527 7.446 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.646 5.635 8.596 1.00 0.00 N flip ATOM 0 H ASN A 61 7.379 7.849 6.955 1.00 0.00 H new ATOM 0 HA ASN A 61 7.576 5.366 5.648 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.638 4.502 6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.976 5.876 5.507 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.423 4.644 8.689 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.152 6.116 9.339 1.00 0.00 H new ATOM 945 N THR A 62 6.908 4.343 7.913 1.00 0.00 N ATOM 946 CA THR A 62 6.300 3.806 9.149 1.00 0.00 C ATOM 947 C THR A 62 6.763 2.382 9.456 1.00 0.00 C ATOM 948 O THR A 62 7.500 1.789 8.679 1.00 0.00 O ATOM 949 CB THR A 62 4.779 3.985 9.106 1.00 0.00 C ATOM 950 OG1 THR A 62 4.315 3.962 10.437 1.00 0.00 O ATOM 951 CG2 THR A 62 4.057 2.921 8.277 1.00 0.00 C ATOM 0 H THR A 62 6.928 3.668 7.148 1.00 0.00 H new ATOM 0 HA THR A 62 6.658 4.385 10.000 1.00 0.00 H new ATOM 0 HB THR A 62 4.560 4.933 8.614 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.342 4.076 10.446 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.984 3.113 8.293 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.416 2.955 7.249 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.255 1.935 8.698 1.00 0.00 H new ATOM 959 N GLU A 63 6.363 1.847 10.606 1.00 0.00 N ATOM 960 CA GLU A 63 6.823 0.574 11.173 1.00 0.00 C ATOM 961 C GLU A 63 5.657 -0.398 11.387 1.00 0.00 C ATOM 962 O GLU A 63 4.543 0.004 11.740 1.00 0.00 O ATOM 963 CB GLU A 63 7.534 0.850 12.508 1.00 0.00 C ATOM 964 CG GLU A 63 8.921 1.464 12.278 1.00 0.00 C ATOM 965 CD GLU A 63 9.655 1.861 13.570 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.008 2.177 14.597 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.908 1.883 13.550 1.00 0.00 O ATOM 0 H GLU A 63 5.675 2.309 11.201 1.00 0.00 H new ATOM 0 HA GLU A 63 7.514 0.108 10.471 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.929 1.526 13.113 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.633 -0.079 13.070 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.535 0.751 11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.816 2.347 11.647 1.00 0.00 H new ATOM 974 N MET A 64 5.923 -1.693 11.190 1.00 0.00 N ATOM 975 CA MET A 64 4.921 -2.767 11.194 1.00 0.00 C ATOM 976 C MET A 64 5.517 -4.127 11.579 1.00 0.00 C ATOM 977 O MET A 64 6.681 -4.416 11.297 1.00 0.00 O ATOM 978 CB MET A 64 4.230 -2.854 9.820 1.00 0.00 C ATOM 979 CG MET A 64 5.237 -2.949 8.668 1.00 0.00 C ATOM 980 SD MET A 64 4.532 -3.298 7.044 1.00 0.00 S ATOM 981 CE MET A 64 6.076 -3.756 6.219 1.00 0.00 C ATOM 0 H MET A 64 6.869 -2.034 11.018 1.00 0.00 H new ATOM 0 HA MET A 64 4.184 -2.516 11.957 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.575 -3.725 9.800 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.599 -1.977 9.677 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.787 -2.010 8.611 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.961 -3.728 8.905 1.00 0.00 H new ATOM 0 HE1 MET A 64 6.026 -3.471 5.168 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.910 -3.240 6.695 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.224 -4.833 6.296 1.00 0.00 H new ATOM 991 N LEU A 65 4.697 -4.968 12.211 1.00 0.00 N ATOM 992 CA LEU A 65 5.039 -6.311 12.681 1.00 0.00 C ATOM 993 C LEU A 65 4.433 -7.370 11.752 1.00 0.00 C ATOM 994 O LEU A 65 3.314 -7.217 11.257 1.00 0.00 O ATOM 995 CB LEU A 65 4.528 -6.477 14.131 1.00 0.00 C ATOM 996 CG LEU A 65 5.488 -7.151 15.127 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.889 -8.583 14.760 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.731 -6.284 15.337 1.00 0.00 C ATOM 0 H LEU A 65 3.730 -4.719 12.419 1.00 0.00 H new ATOM 0 HA LEU A 65 6.121 -6.446 12.669 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.274 -5.490 14.518 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.605 -7.056 14.103 1.00 0.00 H new ATOM 0 HG LEU A 65 4.928 -7.238 16.058 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.566 -8.977 15.518 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.998 -9.209 14.709 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.389 -8.584 13.791 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.401 -6.774 16.044 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.245 -6.148 14.385 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.434 -5.312 15.732 1.00 0.00 H new ATOM 1010 N ILE A 66 5.174 -8.454 11.546 1.00 0.00 N ATOM 1011 CA ILE A 66 4.791 -9.594 10.688 1.00 0.00 C ATOM 1012 C ILE A 66 4.793 -10.928 11.464 1.00 0.00 C ATOM 1013 O ILE A 66 4.603 -10.942 12.680 1.00 0.00 O ATOM 1014 CB ILE A 66 5.640 -9.596 9.399 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.130 -9.909 9.671 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.460 -8.267 8.643 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.619 -11.139 8.899 1.00 0.00 C ATOM 0 H ILE A 66 6.088 -8.577 11.981 1.00 0.00 H new ATOM 0 HA ILE A 66 3.755 -9.474 10.370 1.00 0.00 H new ATOM 0 HB ILE A 66 5.278 -10.405 8.764 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.736 -9.046 9.395 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.275 -10.072 10.739 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.064 -8.280 7.736 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.410 -8.138 8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.778 -7.441 9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.671 -11.316 9.125 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.033 -12.010 9.193 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.501 -10.967 7.829 1.00 0.00 H new ATOM 1029 N ALA A 67 5.020 -12.059 10.785 1.00 0.00 N ATOM 1030 CA ALA A 67 5.090 -13.400 11.373 1.00 0.00 C ATOM 1031 C ALA A 67 6.178 -13.600 12.456 1.00 0.00 C ATOM 1032 O ALA A 67 6.112 -14.576 13.209 1.00 0.00 O ATOM 1033 CB ALA A 67 5.326 -14.376 10.213 1.00 0.00 C ATOM 0 H ALA A 67 5.165 -12.064 9.775 1.00 0.00 H new ATOM 0 HA ALA A 67 4.153 -13.573 11.903 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.386 -15.393 10.600 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.501 -14.305 9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.259 -14.124 9.709 1.00 0.00 H new ATOM 1039 N GLY A 68 7.164 -12.697 12.553 1.00 0.00 N ATOM 1040 CA GLY A 68 8.242 -12.765 13.551 1.00 0.00 C ATOM 1041 C GLY A 68 9.281 -11.638 13.522 1.00 0.00 C ATOM 1042 O GLY A 68 10.349 -11.800 14.114 1.00 0.00 O ATOM 0 H GLY A 68 7.237 -11.890 11.934 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.788 -12.783 14.542 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.765 -13.713 13.423 1.00 0.00 H new ATOM 1046 N PHE A 69 9.002 -10.519 12.836 1.00 0.00 N ATOM 1047 CA PHE A 69 9.969 -9.453 12.539 1.00 0.00 C ATOM 1048 C PHE A 69 9.297 -8.075 12.441 1.00 0.00 C ATOM 1049 O PHE A 69 8.125 -7.968 12.074 1.00 0.00 O ATOM 1050 CB PHE A 69 10.701 -9.763 11.216 1.00 0.00 C ATOM 1051 CG PHE A 69 11.547 -11.024 11.210 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.871 -10.981 11.687 1.00 0.00 C ATOM 1053 CD2 PHE A 69 11.022 -12.237 10.721 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.665 -12.143 11.677 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.815 -13.398 10.713 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.137 -13.351 11.189 1.00 0.00 C ATOM 0 H PHE A 69 8.072 -10.326 12.463 1.00 0.00 H new ATOM 0 HA PHE A 69 10.681 -9.419 13.363 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.959 -9.842 10.422 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.342 -8.916 10.970 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.278 -10.054 12.062 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.008 -12.275 10.351 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.680 -12.107 12.044 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.408 -14.327 10.341 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.747 -14.242 11.180 1.00 0.00 H new ATOM 1066 N LEU A 70 10.067 -7.019 12.729 1.00 0.00 N ATOM 1067 CA LEU A 70 9.684 -5.624 12.490 1.00 0.00 C ATOM 1068 C LEU A 70 10.248 -5.201 11.127 1.00 0.00 C ATOM 1069 O LEU A 70 11.458 -5.264 10.893 1.00 0.00 O ATOM 1070 CB LEU A 70 10.223 -4.752 13.642 1.00 0.00 C ATOM 1071 CG LEU A 70 9.670 -3.317 13.814 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.751 -2.436 12.560 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.232 -3.289 14.340 1.00 0.00 C ATOM 0 H LEU A 70 10.994 -7.114 13.144 1.00 0.00 H new ATOM 0 HA LEU A 70 8.601 -5.502 12.466 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.043 -5.289 14.574 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.304 -4.677 13.521 1.00 0.00 H new ATOM 0 HG LEU A 70 10.343 -2.891 14.558 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.340 -1.451 12.780 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.792 -2.334 12.253 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.179 -2.896 11.754 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.901 -2.255 14.439 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.579 -3.814 13.642 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.191 -3.778 15.313 1.00 0.00 H new ATOM 1085 N TYR A 71 9.368 -4.732 10.253 1.00 0.00 N ATOM 1086 CA TYR A 71 9.712 -4.125 8.964 1.00 0.00 C ATOM 1087 C TYR A 71 9.352 -2.630 8.932 1.00 0.00 C ATOM 1088 O TYR A 71 8.263 -2.224 9.339 1.00 0.00 O ATOM 1089 CB TYR A 71 9.045 -4.899 7.813 1.00 0.00 C ATOM 1090 CG TYR A 71 9.505 -6.336 7.606 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.862 -6.700 7.742 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.566 -7.322 7.249 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.268 -8.035 7.559 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.960 -8.661 7.090 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.315 -9.025 7.238 1.00 0.00 C ATOM 1096 OH TYR A 71 10.705 -10.317 7.072 1.00 0.00 O ATOM 0 H TYR A 71 8.363 -4.762 10.422 1.00 0.00 H new ATOM 0 HA TYR A 71 10.792 -4.191 8.831 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.969 -4.906 7.985 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.216 -4.349 6.888 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.596 -5.947 7.989 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.533 -7.047 7.096 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.309 -8.302 7.664 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.223 -9.414 6.854 1.00 0.00 H new ATOM 0 HH TYR A 71 9.925 -10.869 6.856 1.00 0.00 H new ATOM 1106 N VAL A 72 10.279 -1.816 8.430 1.00 0.00 N ATOM 1107 CA VAL A 72 10.074 -0.401 8.111 1.00 0.00 C ATOM 1108 C VAL A 72 9.509 -0.336 6.697 1.00 0.00 C ATOM 1109 O VAL A 72 10.169 -0.776 5.758 1.00 0.00 O ATOM 1110 CB VAL A 72 11.378 0.431 8.179 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.074 1.935 8.100 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.174 0.160 9.461 1.00 0.00 C ATOM 0 H VAL A 72 11.227 -2.133 8.227 1.00 0.00 H new ATOM 0 HA VAL A 72 9.396 0.027 8.850 1.00 0.00 H new ATOM 0 HB VAL A 72 11.980 0.125 7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.006 2.498 8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.567 2.155 7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.433 2.221 8.934 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.080 0.767 9.462 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.565 0.415 10.328 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.444 -0.895 9.505 1.00 0.00 H new ATOM 1122 N ALA A 73 8.301 0.196 6.542 1.00 0.00 N ATOM 1123 CA ALA A 73 7.709 0.522 5.252 1.00 0.00 C ATOM 1124 C ALA A 73 8.101 1.958 4.877 1.00 0.00 C ATOM 1125 O ALA A 73 7.675 2.920 5.515 1.00 0.00 O ATOM 1126 CB ALA A 73 6.193 0.327 5.344 1.00 0.00 C ATOM 0 H ALA A 73 7.693 0.417 7.330 1.00 0.00 H new ATOM 0 HA ALA A 73 8.078 -0.134 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.736 0.568 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.974 -0.710 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.788 0.984 6.114 1.00 0.00 H new ATOM 1132 N ASP A 74 8.933 2.099 3.850 1.00 0.00 N ATOM 1133 CA ASP A 74 9.376 3.372 3.296 1.00 0.00 C ATOM 1134 C ASP A 74 8.363 3.877 2.261 1.00 0.00 C ATOM 1135 O ASP A 74 8.215 3.308 1.173 1.00 0.00 O ATOM 1136 CB ASP A 74 10.779 3.213 2.703 1.00 0.00 C ATOM 1137 CG ASP A 74 11.295 4.553 2.171 1.00 0.00 C ATOM 1138 OD1 ASP A 74 11.760 5.381 2.986 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.191 4.781 0.945 1.00 0.00 O ATOM 0 H ASP A 74 9.332 1.297 3.362 1.00 0.00 H new ATOM 0 HA ASP A 74 9.432 4.122 4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.460 2.831 3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.758 2.480 1.897 1.00 0.00 H new ATOM 1144 N LEU A 75 7.671 4.961 2.621 1.00 0.00 N ATOM 1145 CA LEU A 75 6.624 5.595 1.819 1.00 0.00 C ATOM 1146 C LEU A 75 7.205 6.560 0.760 1.00 0.00 C ATOM 1147 O LEU A 75 6.475 6.966 -0.145 1.00 0.00 O ATOM 1148 CB LEU A 75 5.613 6.301 2.756 1.00 0.00 C ATOM 1149 CG LEU A 75 4.512 5.433 3.404 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.974 4.206 4.197 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.668 6.327 4.327 1.00 0.00 C ATOM 0 H LEU A 75 7.830 5.437 3.509 1.00 0.00 H new ATOM 0 HA LEU A 75 6.099 4.821 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.176 6.782 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.125 7.093 2.188 1.00 0.00 H new ATOM 0 HG LEU A 75 3.952 5.021 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.105 3.684 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.528 3.536 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.618 4.524 5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.884 5.731 4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.306 6.757 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.215 7.128 3.743 1.00 0.00 H new ATOM 1163 N GLU A 76 8.501 6.895 0.824 1.00 0.00 N ATOM 1164 CA GLU A 76 9.184 7.715 -0.190 1.00 0.00 C ATOM 1165 C GLU A 76 9.365 6.958 -1.515 1.00 0.00 C ATOM 1166 O GLU A 76 8.966 7.434 -2.579 1.00 0.00 O ATOM 1167 CB GLU A 76 10.578 8.154 0.288 1.00 0.00 C ATOM 1168 CG GLU A 76 10.588 9.072 1.504 1.00 0.00 C ATOM 1169 CD GLU A 76 11.918 9.836 1.605 1.00 0.00 C ATOM 1170 OE1 GLU A 76 12.895 9.304 2.180 1.00 0.00 O ATOM 1171 OE2 GLU A 76 11.991 10.986 1.109 1.00 0.00 O ATOM 0 H GLU A 76 9.111 6.603 1.587 1.00 0.00 H new ATOM 0 HA GLU A 76 8.546 8.585 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.162 7.263 0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.083 8.661 -0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.762 9.780 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.432 8.485 2.409 1.00 0.00 H new ATOM 1178 N ASN A 77 9.989 5.779 -1.446 1.00 0.00 N ATOM 1179 CA ASN A 77 10.413 4.968 -2.593 1.00 0.00 C ATOM 1180 C ASN A 77 9.452 3.793 -2.867 1.00 0.00 C ATOM 1181 O ASN A 77 9.628 3.065 -3.846 1.00 0.00 O ATOM 1182 CB ASN A 77 11.838 4.447 -2.330 1.00 0.00 C ATOM 1183 CG ASN A 77 12.866 5.559 -2.126 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.566 5.956 -3.053 1.00 0.00 O ATOM 1185 ND2 ASN A 77 13.005 6.081 -0.920 1.00 0.00 N ATOM 0 H ASN A 77 10.223 5.345 -0.553 1.00 0.00 H new ATOM 0 HA ASN A 77 10.398 5.597 -3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.825 3.808 -1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.149 3.825 -3.169 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.695 6.815 -0.758 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.423 5.750 -0.151 1.00 0.00 H new ATOM 1192 N MET A 78 8.465 3.592 -1.982 1.00 0.00 N ATOM 1193 CA MET A 78 7.521 2.462 -1.963 1.00 0.00 C ATOM 1194 C MET A 78 8.263 1.117 -1.856 1.00 0.00 C ATOM 1195 O MET A 78 8.145 0.241 -2.715 1.00 0.00 O ATOM 1196 CB MET A 78 6.542 2.497 -3.150 1.00 0.00 C ATOM 1197 CG MET A 78 5.661 3.751 -3.235 1.00 0.00 C ATOM 1198 SD MET A 78 4.008 3.599 -2.498 1.00 0.00 S ATOM 1199 CE MET A 78 4.374 4.002 -0.775 1.00 0.00 C ATOM 0 H MET A 78 8.294 4.247 -1.219 1.00 0.00 H new ATOM 0 HA MET A 78 6.910 2.567 -1.066 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.114 2.411 -4.074 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.895 1.622 -3.093 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.183 4.574 -2.746 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.548 4.023 -4.284 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.451 4.266 -0.259 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.828 3.139 -0.288 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.064 4.845 -0.737 1.00 0.00 H new ATOM 1209 N VAL A 79 8.999 0.934 -0.758 1.00 0.00 N ATOM 1210 CA VAL A 79 9.682 -0.332 -0.413 1.00 0.00 C ATOM 1211 C VAL A 79 9.522 -0.652 1.079 1.00 0.00 C ATOM 1212 O VAL A 79 9.023 0.175 1.835 1.00 0.00 O ATOM 1213 CB VAL A 79 11.183 -0.342 -0.812 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.395 -0.220 -2.328 1.00 0.00 C ATOM 1215 CG2 VAL A 79 12.004 0.731 -0.076 1.00 0.00 C ATOM 0 H VAL A 79 9.145 1.669 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 79 9.195 -1.111 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 79 11.551 -1.319 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.462 -0.232 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.911 -1.057 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.962 0.716 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.045 0.676 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.605 1.718 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.945 0.561 0.999 1.00 0.00 H new ATOM 1225 N GLN A 80 9.957 -1.831 1.520 1.00 0.00 N ATOM 1226 CA GLN A 80 9.944 -2.238 2.925 1.00 0.00 C ATOM 1227 C GLN A 80 11.128 -3.151 3.262 1.00 0.00 C ATOM 1228 O GLN A 80 11.508 -3.990 2.447 1.00 0.00 O ATOM 1229 CB GLN A 80 8.587 -2.878 3.274 1.00 0.00 C ATOM 1230 CG GLN A 80 8.339 -4.241 2.595 1.00 0.00 C ATOM 1231 CD GLN A 80 8.569 -5.423 3.535 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.656 -5.887 4.198 1.00 0.00 O ATOM 1233 NE2 GLN A 80 9.768 -5.955 3.634 1.00 0.00 N ATOM 0 H GLN A 80 10.336 -2.545 0.898 1.00 0.00 H new ATOM 0 HA GLN A 80 10.064 -1.351 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.525 -3.006 4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.790 -2.192 2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.316 -4.274 2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.997 -4.336 1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.540 -5.577 3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.925 -6.745 4.259 1.00 0.00 H new ATOM 1242 N TYR A 81 11.694 -2.999 4.463 1.00 0.00 N ATOM 1243 CA TYR A 81 12.926 -3.668 4.915 1.00 0.00 C ATOM 1244 C TYR A 81 13.034 -3.808 6.444 1.00 0.00 C ATOM 1245 O TYR A 81 12.364 -3.097 7.196 1.00 0.00 O ATOM 1246 CB TYR A 81 14.146 -2.908 4.366 1.00 0.00 C ATOM 1247 CG TYR A 81 14.116 -1.393 4.493 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.294 -0.760 5.740 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.942 -0.606 3.336 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.327 0.646 5.825 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.992 0.795 3.407 1.00 0.00 C ATOM 1252 CZ TYR A 81 14.184 1.429 4.655 1.00 0.00 C ATOM 1253 OH TYR A 81 14.232 2.789 4.726 1.00 0.00 O ATOM 0 H TYR A 81 11.296 -2.386 5.175 1.00 0.00 H new ATOM 0 HA TYR A 81 12.894 -4.685 4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.035 -3.276 4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.258 -3.160 3.311 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.406 -1.355 6.634 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.768 -1.087 2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.461 1.126 6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.884 1.387 2.510 1.00 0.00 H new ATOM 0 HH TYR A 81 14.117 3.168 3.829 1.00 0.00 H new ATOM 1263 N ARG A 82 13.917 -4.694 6.919 1.00 0.00 N ATOM 1264 CA ARG A 82 14.279 -4.835 8.341 1.00 0.00 C ATOM 1265 C ARG A 82 15.075 -3.614 8.838 1.00 0.00 C ATOM 1266 O ARG A 82 15.913 -3.080 8.111 1.00 0.00 O ATOM 1267 CB ARG A 82 15.057 -6.152 8.503 1.00 0.00 C ATOM 1268 CG ARG A 82 15.504 -6.442 9.944 1.00 0.00 C ATOM 1269 CD ARG A 82 16.061 -7.868 10.038 1.00 0.00 C ATOM 1270 NE ARG A 82 16.675 -8.127 11.351 1.00 0.00 N ATOM 1271 CZ ARG A 82 17.976 -8.151 11.627 1.00 0.00 C ATOM 1272 NH1 ARG A 82 18.894 -7.811 10.747 1.00 0.00 N ATOM 1273 NH2 ARG A 82 18.379 -8.532 12.820 1.00 0.00 N ATOM 0 H ARG A 82 14.413 -5.349 6.315 1.00 0.00 H new ATOM 0 HA ARG A 82 13.383 -4.872 8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.433 -6.975 8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.936 -6.124 7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.265 -5.724 10.250 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.662 -6.325 10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.258 -8.585 9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.802 -8.022 9.253 1.00 0.00 H new ATOM 0 HE ARG A 82 16.038 -8.306 12.127 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.618 -7.514 9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.881 -7.844 11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.696 -8.806 13.526 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.375 -8.553 13.039 1.00 0.00 H new ATOM 1287 N ARG A 83 14.829 -3.170 10.080 1.00 0.00 N ATOM 1288 CA ARG A 83 15.386 -1.915 10.640 1.00 0.00 C ATOM 1289 C ARG A 83 16.922 -1.815 10.571 1.00 0.00 C ATOM 1290 O ARG A 83 17.465 -0.718 10.446 1.00 0.00 O ATOM 1291 CB ARG A 83 14.968 -1.727 12.110 1.00 0.00 C ATOM 1292 CG ARG A 83 13.451 -1.763 12.344 1.00 0.00 C ATOM 1293 CD ARG A 83 13.074 -1.379 13.779 1.00 0.00 C ATOM 1294 NE ARG A 83 13.012 0.079 13.966 1.00 0.00 N ATOM 1295 CZ ARG A 83 13.864 0.887 14.574 1.00 0.00 C ATOM 1296 NH1 ARG A 83 15.010 0.484 15.085 1.00 0.00 N ATOM 1297 NH2 ARG A 83 13.525 2.150 14.665 1.00 0.00 N ATOM 0 H ARG A 83 14.232 -3.673 10.736 1.00 0.00 H new ATOM 0 HA ARG A 83 14.970 -1.131 10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.435 -2.507 12.711 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.357 -0.773 12.467 1.00 0.00 H new ATOM 0 HG2 ARG A 83 12.962 -1.082 11.648 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.076 -2.763 12.128 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.108 -1.817 14.029 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.803 -1.802 14.470 1.00 0.00 H new ATOM 0 HE ARG A 83 12.190 0.534 13.568 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.279 -0.498 15.022 1.00 0.00 H new ATOM 0 HH12 ARG A 83 15.628 1.154 15.543 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.638 2.469 14.276 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.148 2.813 15.125 1.00 0.00 H new ATOM 1311 N ASN A 84 17.620 -2.950 10.656 1.00 0.00 N ATOM 1312 CA ASN A 84 19.081 -3.010 10.766 1.00 0.00 C ATOM 1313 C ASN A 84 19.823 -2.870 9.420 1.00 0.00 C ATOM 1314 O ASN A 84 21.016 -2.558 9.428 1.00 0.00 O ATOM 1315 CB ASN A 84 19.475 -4.318 11.469 1.00 0.00 C ATOM 1316 CG ASN A 84 18.850 -4.463 12.854 1.00 0.00 C ATOM 1317 OD1 ASN A 84 17.709 -4.887 12.998 1.00 0.00 O ATOM 1318 ND2 ASN A 84 19.567 -4.109 13.907 1.00 0.00 N ATOM 0 H ASN A 84 17.179 -3.870 10.650 1.00 0.00 H new ATOM 0 HA ASN A 84 19.392 -2.146 11.354 1.00 0.00 H new ATOM 0 HB2 ASN A 84 19.172 -5.162 10.850 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.560 -4.362 11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.171 -4.188 14.844 1.00 0.00 H new ATOM 0 HD22 ASN A 84 20.516 -3.757 13.783 1.00 0.00 H new ATOM 1325 N GLU A 85 19.150 -3.057 8.275 1.00 0.00 N ATOM 1326 CA GLU A 85 19.746 -2.898 6.943 1.00 0.00 C ATOM 1327 C GLU A 85 18.701 -2.604 5.851 1.00 0.00 C ATOM 1328 O GLU A 85 17.760 -3.359 5.614 1.00 0.00 O ATOM 1329 CB GLU A 85 20.663 -4.080 6.565 1.00 0.00 C ATOM 1330 CG GLU A 85 20.021 -5.477 6.558 1.00 0.00 C ATOM 1331 CD GLU A 85 19.826 -6.072 7.961 1.00 0.00 C ATOM 1332 OE1 GLU A 85 20.836 -6.365 8.642 1.00 0.00 O ATOM 1333 OE2 GLU A 85 18.667 -6.284 8.385 1.00 0.00 O ATOM 0 H GLU A 85 18.166 -3.326 8.249 1.00 0.00 H new ATOM 0 HA GLU A 85 20.380 -2.014 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 85 21.073 -3.889 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 85 21.503 -4.095 7.260 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.054 -5.420 6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 85 20.644 -6.151 5.970 1.00 0.00 H new ATOM 1340 N HIS A 86 18.905 -1.499 5.135 1.00 0.00 N ATOM 1341 CA HIS A 86 18.013 -1.021 4.065 1.00 0.00 C ATOM 1342 C HIS A 86 18.154 -1.794 2.737 1.00 0.00 C ATOM 1343 O HIS A 86 17.292 -1.701 1.860 1.00 0.00 O ATOM 1344 CB HIS A 86 18.263 0.476 3.849 1.00 0.00 C ATOM 1345 CG HIS A 86 19.629 0.797 3.301 1.00 0.00 C ATOM 1346 ND1 HIS A 86 20.000 0.728 1.955 1.00 0.00 N ATOM 1347 CD2 HIS A 86 20.715 1.157 4.044 1.00 0.00 C ATOM 1348 CE1 HIS A 86 21.302 1.056 1.923 1.00 0.00 C ATOM 1349 NE2 HIS A 86 21.760 1.321 3.161 1.00 0.00 N ATOM 0 H HIS A 86 19.712 -0.893 5.282 1.00 0.00 H new ATOM 0 HA HIS A 86 16.989 -1.201 4.392 1.00 0.00 H new ATOM 0 HB2 HIS A 86 17.508 0.865 3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 86 18.132 0.996 4.798 1.00 0.00 H new ATOM 0 HD2 HIS A 86 20.749 1.288 5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 86 21.901 1.101 1.025 1.00 0.00 H new ATOM 0 HE2 HIS A 86 22.712 1.595 3.403 1.00 0.00 H new ATOM 1357 N GLY A 87 19.244 -2.551 2.585 1.00 0.00 N ATOM 1358 CA GLY A 87 19.563 -3.355 1.394 1.00 0.00 C ATOM 1359 C GLY A 87 18.722 -4.629 1.271 1.00 0.00 C ATOM 1360 O GLY A 87 18.532 -5.125 0.160 1.00 0.00 O ATOM 0 H GLY A 87 19.956 -2.626 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.415 -2.744 0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.618 -3.627 1.422 1.00 0.00 H new ATOM 1364 N ARG A 88 18.165 -5.127 2.383 1.00 0.00 N ATOM 1365 CA ARG A 88 17.252 -6.280 2.428 1.00 0.00 C ATOM 1366 C ARG A 88 15.799 -5.814 2.245 1.00 0.00 C ATOM 1367 O ARG A 88 14.967 -5.958 3.145 1.00 0.00 O ATOM 1368 CB ARG A 88 17.473 -7.087 3.727 1.00 0.00 C ATOM 1369 CG ARG A 88 18.882 -7.700 3.841 1.00 0.00 C ATOM 1370 CD ARG A 88 19.152 -8.805 2.804 1.00 0.00 C ATOM 1371 NE ARG A 88 19.158 -10.153 3.400 1.00 0.00 N ATOM 1372 CZ ARG A 88 20.164 -10.753 4.020 1.00 0.00 C ATOM 1373 NH1 ARG A 88 21.308 -10.144 4.267 1.00 0.00 N ATOM 1374 NH2 ARG A 88 20.027 -12.001 4.402 1.00 0.00 N ATOM 0 H ARG A 88 18.342 -4.727 3.305 1.00 0.00 H new ATOM 0 HA ARG A 88 17.470 -6.956 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 88 17.299 -6.436 4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.733 -7.886 3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 88 19.624 -6.911 3.722 1.00 0.00 H new ATOM 0 HG3 ARG A 88 19.012 -8.111 4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 88 18.392 -8.760 2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 88 20.113 -8.620 2.323 1.00 0.00 H new ATOM 0 HE ARG A 88 18.290 -10.684 3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 88 21.443 -9.175 3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 88 22.058 -10.642 4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 88 19.154 -12.497 4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 88 20.793 -12.475 4.880 1.00 0.00 H new ATOM 1388 N ARG A 89 15.520 -5.204 1.084 1.00 0.00 N ATOM 1389 CA ARG A 89 14.251 -4.534 0.764 1.00 0.00 C ATOM 1390 C ARG A 89 13.422 -5.238 -0.316 1.00 0.00 C ATOM 1391 O ARG A 89 13.959 -5.913 -1.198 1.00 0.00 O ATOM 1392 CB ARG A 89 14.485 -3.047 0.441 1.00 0.00 C ATOM 1393 CG ARG A 89 15.380 -2.751 -0.768 1.00 0.00 C ATOM 1394 CD ARG A 89 15.495 -1.237 -0.972 1.00 0.00 C ATOM 1395 NE ARG A 89 16.514 -0.897 -1.981 1.00 0.00 N ATOM 1396 CZ ARG A 89 17.750 -0.466 -1.749 1.00 0.00 C ATOM 1397 NH1 ARG A 89 18.242 -0.375 -0.531 1.00 0.00 N ATOM 1398 NH2 ARG A 89 18.521 -0.115 -2.755 1.00 0.00 N ATOM 0 H ARG A 89 16.192 -5.162 0.318 1.00 0.00 H new ATOM 0 HA ARG A 89 13.639 -4.600 1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.516 -2.576 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.924 -2.571 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.369 -3.182 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.965 -3.217 -1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.529 -0.837 -1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.748 -0.761 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 89 16.243 -1.003 -2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.670 -0.640 0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.195 -0.040 -0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.170 -0.174 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.470 0.216 -2.579 1.00 0.00 H new ATOM 1412 N ARG A 90 12.101 -5.047 -0.245 1.00 0.00 N ATOM 1413 CA ARG A 90 11.080 -5.515 -1.197 1.00 0.00 C ATOM 1414 C ARG A 90 10.129 -4.366 -1.544 1.00 0.00 C ATOM 1415 O ARG A 90 9.806 -3.551 -0.686 1.00 0.00 O ATOM 1416 CB ARG A 90 10.271 -6.681 -0.586 1.00 0.00 C ATOM 1417 CG ARG A 90 11.039 -7.989 -0.315 1.00 0.00 C ATOM 1418 CD ARG A 90 11.432 -8.774 -1.577 1.00 0.00 C ATOM 1419 NE ARG A 90 12.586 -8.176 -2.266 1.00 0.00 N ATOM 1420 CZ ARG A 90 12.987 -8.399 -3.509 1.00 0.00 C ATOM 1421 NH1 ARG A 90 12.382 -9.259 -4.302 1.00 0.00 N ATOM 1422 NH2 ARG A 90 14.021 -7.732 -3.969 1.00 0.00 N ATOM 0 H ARG A 90 11.686 -4.528 0.528 1.00 0.00 H new ATOM 0 HA ARG A 90 11.580 -5.863 -2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.839 -6.339 0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.441 -6.906 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.943 -7.754 0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.427 -8.630 0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.667 -9.803 -1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.583 -8.811 -2.259 1.00 0.00 H new ATOM 0 HE ARG A 90 13.141 -7.514 -1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.574 -9.782 -3.965 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.722 -9.402 -5.253 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.499 -7.057 -3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.346 -7.889 -4.923 1.00 0.00 H new ATOM 1436 N LYS A 91 9.674 -4.296 -2.794 1.00 0.00 N ATOM 1437 CA LYS A 91 8.698 -3.307 -3.284 1.00 0.00 C ATOM 1438 C LYS A 91 7.325 -3.412 -2.598 1.00 0.00 C ATOM 1439 O LYS A 91 6.869 -4.514 -2.287 1.00 0.00 O ATOM 1440 CB LYS A 91 8.538 -3.526 -4.799 1.00 0.00 C ATOM 1441 CG LYS A 91 9.482 -2.662 -5.648 1.00 0.00 C ATOM 1442 CD LYS A 91 8.930 -1.256 -5.942 1.00 0.00 C ATOM 1443 CE LYS A 91 7.598 -1.221 -6.712 1.00 0.00 C ATOM 1444 NZ LYS A 91 7.608 -2.068 -7.937 1.00 0.00 N ATOM 0 H LYS A 91 9.980 -4.943 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 91 9.075 -2.311 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.717 -4.577 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.508 -3.310 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.438 -2.568 -5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.678 -3.171 -6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.798 -0.730 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.676 -0.703 -6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.796 -1.555 -6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.374 -0.192 -6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.772 -1.850 -8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.470 -1.874 -8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.589 -3.072 -7.665 1.00 0.00 H new ATOM 1458 N ILE A 92 6.627 -2.280 -2.454 1.00 0.00 N ATOM 1459 CA ILE A 92 5.217 -2.198 -2.014 1.00 0.00 C ATOM 1460 C ILE A 92 4.390 -1.294 -2.948 1.00 0.00 C ATOM 1461 O ILE A 92 4.949 -0.605 -3.801 1.00 0.00 O ATOM 1462 CB ILE A 92 5.098 -1.784 -0.523 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.578 -0.342 -0.311 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.861 -2.756 0.389 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.424 0.207 1.107 1.00 0.00 C ATOM 0 H ILE A 92 7.034 -1.364 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 92 4.791 -3.199 -2.086 1.00 0.00 H new ATOM 0 HB ILE A 92 4.044 -1.832 -0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.630 -0.284 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.030 0.308 -0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.758 -2.438 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.452 -3.760 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.916 -2.761 0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.794 1.232 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.372 0.191 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.996 -0.410 1.800 1.00 0.00 H new ATOM 1477 N LYS A 93 3.062 -1.295 -2.790 1.00 0.00 N ATOM 1478 CA LYS A 93 2.124 -0.419 -3.515 1.00 0.00 C ATOM 1479 C LYS A 93 0.775 -0.244 -2.792 1.00 0.00 C ATOM 1480 O LYS A 93 0.426 -1.033 -1.910 1.00 0.00 O ATOM 1481 CB LYS A 93 1.887 -0.941 -4.957 1.00 0.00 C ATOM 1482 CG LYS A 93 1.044 -2.230 -5.013 1.00 0.00 C ATOM 1483 CD LYS A 93 0.611 -2.586 -6.440 1.00 0.00 C ATOM 1484 CE LYS A 93 -0.201 -3.889 -6.418 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.928 -4.112 -7.694 1.00 0.00 N ATOM 0 H LYS A 93 2.593 -1.922 -2.136 1.00 0.00 H new ATOM 0 HA LYS A 93 2.595 0.563 -3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.389 -0.165 -5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.851 -1.126 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.620 -3.056 -4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.159 -2.109 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.012 -1.779 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.486 -2.701 -7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.467 -4.729 -6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.915 -3.858 -5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.162 -5.121 -7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.804 -3.551 -7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.327 -3.820 -8.491 1.00 0.00 H new ATOM 1499 N ARG A 94 -0.001 0.751 -3.240 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.429 0.920 -2.926 1.00 0.00 C ATOM 1501 C ARG A 94 -2.263 0.420 -4.115 1.00 0.00 C ATOM 1502 O ARG A 94 -1.843 0.537 -5.268 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.773 2.393 -2.647 1.00 0.00 C ATOM 1504 CG ARG A 94 -1.236 2.858 -1.289 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.659 4.289 -0.924 1.00 0.00 C ATOM 1506 NE ARG A 94 -3.092 4.388 -0.586 1.00 0.00 N ATOM 1507 CZ ARG A 94 -4.072 4.872 -1.337 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -3.884 5.287 -2.574 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -5.282 4.945 -0.835 1.00 0.00 N ATOM 0 H ARG A 94 0.357 1.485 -3.851 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.656 0.344 -2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.356 3.019 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.855 2.525 -2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.586 2.175 -0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.148 2.800 -1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.065 4.635 -0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.440 4.953 -1.760 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.361 4.043 0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.954 5.243 -2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.668 5.652 -3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.458 4.632 0.120 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.047 5.315 -1.399 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.455 -0.096 -3.843 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.442 -0.522 -4.840 1.00 0.00 C ATOM 1525 C ASP A 95 -5.878 -0.407 -4.296 1.00 0.00 C ATOM 1526 O ASP A 95 -6.099 0.005 -3.155 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.143 -1.956 -5.325 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.253 -2.082 -6.850 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -5.326 -1.729 -7.395 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -3.274 -2.540 -7.487 1.00 0.00 O ATOM 0 H ASP A 95 -3.778 -0.237 -2.886 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.364 0.149 -5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.140 -2.244 -5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.838 -2.651 -4.853 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.859 -0.772 -5.122 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.294 -0.586 -4.880 1.00 0.00 C ATOM 1537 C ILE A 96 -9.043 -1.885 -5.189 1.00 0.00 C ATOM 1538 O ILE A 96 -8.789 -2.552 -6.194 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.834 0.569 -5.755 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -8.057 1.887 -5.564 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.333 0.814 -5.487 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.223 2.499 -4.174 1.00 0.00 C ATOM 0 H ILE A 96 -6.670 -1.225 -6.016 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.451 -0.329 -3.832 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.692 0.250 -6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.998 1.705 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.391 2.607 -6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.686 1.631 -6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.896 -0.090 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.477 1.074 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.649 3.423 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.276 2.714 -3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.862 1.797 -3.422 1.00 0.00 H new ATOM 1554 N ILE A 97 -9.984 -2.228 -4.316 1.00 0.00 N ATOM 1555 CA ILE A 97 -10.861 -3.405 -4.466 1.00 0.00 C ATOM 1556 C ILE A 97 -12.109 -3.056 -5.285 1.00 0.00 C ATOM 1557 O ILE A 97 -12.724 -2.013 -5.079 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.265 -3.981 -3.097 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -10.054 -4.399 -2.247 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.212 -5.178 -3.268 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.484 -3.242 -1.427 1.00 0.00 C ATOM 0 H ILE A 97 -10.169 -1.693 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.296 -4.168 -5.001 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.778 -3.179 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.347 -5.206 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.276 -4.795 -2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.485 -5.569 -2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.111 -4.858 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.713 -5.957 -3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.631 -3.593 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.163 -2.445 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.251 -2.862 -0.752 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.526 -3.967 -6.164 1.00 0.00 N ATOM 1574 CA ASP A 98 -13.681 -3.786 -7.061 1.00 0.00 C ATOM 1575 C ASP A 98 -14.959 -4.545 -6.637 1.00 0.00 C ATOM 1576 O ASP A 98 -16.048 -4.215 -7.107 1.00 0.00 O ATOM 1577 CB ASP A 98 -13.243 -4.170 -8.483 1.00 0.00 C ATOM 1578 CG ASP A 98 -14.258 -3.749 -9.561 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -14.504 -2.528 -9.712 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -14.766 -4.636 -10.288 1.00 0.00 O ATOM 0 H ASP A 98 -12.066 -4.870 -6.279 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.975 -2.738 -7.010 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.280 -3.706 -8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.096 -5.249 -8.533 1.00 0.00 H new ATOM 1585 N ILE A 99 -14.821 -5.516 -5.721 1.00 0.00 N ATOM 1586 CA ILE A 99 -15.861 -6.368 -5.090 1.00 0.00 C ATOM 1587 C ILE A 99 -16.371 -7.471 -6.058 1.00 0.00 C ATOM 1588 O ILE A 99 -16.769 -7.158 -7.188 1.00 0.00 O ATOM 1589 CB ILE A 99 -17.029 -5.542 -4.480 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.554 -4.399 -3.547 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.043 -6.432 -3.739 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.867 -4.849 -2.251 1.00 0.00 C ATOM 0 H ILE A 99 -13.895 -5.753 -5.365 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.377 -6.872 -4.253 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.523 -5.081 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.864 -3.763 -4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.415 -3.784 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.841 -5.812 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.467 -7.157 -4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.540 -6.959 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.574 -3.973 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.557 -5.457 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.981 -5.436 -2.494 1.00 0.00 H new