USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 656 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 42 LYS NZ :NH3+ -141:sc= 1.15 (180deg=-1.22!) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.0558 K(o=1.2,f=-0.9) USER MOD Set 2.1: A 36 SER OG : rot -116:sc= 0.0248 USER MOD Set 2.2: A 49 GLN : amide:sc= -1.47 K(o=-1.4,f=-3.3!) USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= 0.438 F(o=-0.43,f=0.91) USER MOD Set 3.2: A 59 LYS NZ :NH3+ -161:sc= 0.473 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.00268 K(o=-0.0027,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -155:sc= 0.395 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 30 MET CE :methyl -109:sc= -3.57! (180deg=-8.22!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -108:sc= 1.13 (180deg=-0.948) USER MOD Single : A 37 GLN : amide:sc= -3.46! C(o=-3.5!,f=-11!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.923 K(o=-0.92,f=-4.6!) USER MOD Single : A 63 SER OG : rot 39:sc= 0.851 USER MOD Single : A 66 ASN : amide:sc= -3.85! C(o=-3.9!,f=-6.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.8) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.91) USER MOD Single : A 84 GLN : amide:sc= -2.94 X(o=-2.9,f=-2.8!) USER MOD Single : A 85 HIS : no HD1:sc= -4.78! C(o=-4.8!,f=-5.5!) USER MOD Single : A 91 TYR OH : rot 94:sc= 0.631 USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 16 4.946 5.474 -12.804 1.00 0.00 N ATOM 181 CA ILE A 16 4.276 5.561 -11.513 1.00 0.00 C ATOM 182 C ILE A 16 4.853 6.693 -10.669 1.00 0.00 C ATOM 183 O ILE A 16 6.045 6.709 -10.367 1.00 0.00 O ATOM 184 CB ILE A 16 4.391 4.241 -10.728 1.00 0.00 C ATOM 185 CG1 ILE A 16 3.784 3.089 -11.532 1.00 0.00 C ATOM 186 CG2 ILE A 16 3.708 4.367 -9.375 1.00 0.00 C ATOM 187 CD1 ILE A 16 4.001 1.731 -10.902 1.00 0.00 C ATOM 0 HA ILE A 16 3.224 5.762 -11.717 1.00 0.00 H new ATOM 0 HB ILE A 16 5.447 4.026 -10.561 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.714 3.261 -11.646 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.215 3.089 -12.533 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.798 3.426 -8.833 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.182 5.163 -8.801 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.654 4.602 -9.520 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.544 0.963 -11.526 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.070 1.538 -10.813 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.545 1.712 -9.912 1.00 0.00 H new ATOM 199 N ASN A 17 3.997 7.637 -10.291 1.00 0.00 N ATOM 200 CA ASN A 17 4.422 8.773 -9.481 1.00 0.00 C ATOM 201 C ASN A 17 4.076 8.552 -8.011 1.00 0.00 C ATOM 202 O ASN A 17 2.916 8.657 -7.614 1.00 0.00 O ATOM 203 CB ASN A 17 3.763 10.059 -9.983 1.00 0.00 C ATOM 204 CG ASN A 17 4.569 11.295 -9.636 1.00 0.00 C ATOM 205 OD1 ASN A 17 5.085 11.422 -8.525 1.00 0.00 O ATOM 206 ND2 ASN A 17 4.681 12.215 -10.588 1.00 0.00 N ATOM 0 H ASN A 17 3.006 7.638 -10.532 1.00 0.00 H new ATOM 0 HA ASN A 17 5.504 8.868 -9.572 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.638 10.002 -11.064 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.766 10.146 -9.551 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.211 13.068 -10.413 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.237 12.068 -11.494 1.00 0.00 H new ATOM 213 N ILE A 18 5.091 8.246 -7.210 1.00 0.00 N ATOM 214 CA ILE A 18 4.895 8.012 -5.785 1.00 0.00 C ATOM 215 C ILE A 18 4.787 9.328 -5.022 1.00 0.00 C ATOM 216 O ILE A 18 5.407 10.326 -5.391 1.00 0.00 O ATOM 217 CB ILE A 18 6.044 7.178 -5.188 1.00 0.00 C ATOM 218 CG1 ILE A 18 6.296 5.933 -6.041 1.00 0.00 C ATOM 219 CG2 ILE A 18 5.725 6.787 -3.753 1.00 0.00 C ATOM 220 CD1 ILE A 18 5.124 4.978 -6.078 1.00 0.00 C ATOM 0 H ILE A 18 6.057 8.154 -7.524 1.00 0.00 H new ATOM 0 HA ILE A 18 3.963 7.457 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 18 6.950 7.784 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.535 6.242 -7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.170 5.408 -5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.547 6.198 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.590 7.686 -3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.809 6.196 -3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.374 4.119 -6.701 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.898 4.639 -5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.254 5.486 -6.493 1.00 0.00 H new ATOM 232 N THR A 19 3.997 9.322 -3.952 1.00 0.00 N ATOM 233 CA THR A 19 3.808 10.515 -3.136 1.00 0.00 C ATOM 234 C THR A 19 3.621 10.151 -1.667 1.00 0.00 C ATOM 235 O THR A 19 3.171 9.053 -1.343 1.00 0.00 O ATOM 236 CB THR A 19 2.593 11.333 -3.610 1.00 0.00 C ATOM 237 OG1 THR A 19 1.412 10.524 -3.571 1.00 0.00 O ATOM 238 CG2 THR A 19 2.810 11.856 -5.022 1.00 0.00 C ATOM 0 H THR A 19 3.478 8.505 -3.631 1.00 0.00 H new ATOM 0 HA THR A 19 4.708 11.120 -3.246 1.00 0.00 H new ATOM 0 HB THR A 19 2.472 12.184 -2.940 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.644 11.052 -3.872 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.938 12.431 -5.335 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.692 12.495 -5.042 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.955 11.017 -5.703 1.00 0.00 H new ATOM 246 N ALA A 20 3.967 11.081 -0.783 1.00 0.00 N ATOM 247 CA ALA A 20 3.834 10.859 0.651 1.00 0.00 C ATOM 248 C ALA A 20 2.483 10.236 0.987 1.00 0.00 C ATOM 249 O ALA A 20 2.384 9.385 1.871 1.00 0.00 O ATOM 250 CB ALA A 20 4.016 12.167 1.407 1.00 0.00 C ATOM 0 H ALA A 20 4.342 11.996 -1.035 1.00 0.00 H new ATOM 0 HA ALA A 20 4.613 10.162 0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.914 11.986 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.007 12.572 1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.258 12.881 1.086 1.00 0.00 H new ATOM 256 N ALA A 21 1.445 10.665 0.276 1.00 0.00 N ATOM 257 CA ALA A 21 0.101 10.148 0.499 1.00 0.00 C ATOM 258 C ALA A 21 0.108 8.626 0.600 1.00 0.00 C ATOM 259 O ALA A 21 -0.652 8.043 1.373 1.00 0.00 O ATOM 260 CB ALA A 21 -0.830 10.600 -0.617 1.00 0.00 C ATOM 0 H ALA A 21 1.510 11.369 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.263 10.547 1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.831 10.207 -0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.867 11.689 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.460 10.228 -1.573 1.00 0.00 H new ATOM 266 N ILE A 22 0.969 7.990 -0.186 1.00 0.00 N ATOM 267 CA ILE A 22 1.075 6.536 -0.184 1.00 0.00 C ATOM 268 C ILE A 22 0.988 5.981 1.233 1.00 0.00 C ATOM 269 O ILE A 22 0.384 4.933 1.465 1.00 0.00 O ATOM 270 CB ILE A 22 2.392 6.066 -0.829 1.00 0.00 C ATOM 271 CG1 ILE A 22 2.375 4.549 -1.027 1.00 0.00 C ATOM 272 CG2 ILE A 22 3.578 6.480 0.029 1.00 0.00 C ATOM 273 CD1 ILE A 22 3.230 4.081 -2.184 1.00 0.00 C ATOM 0 H ILE A 22 1.604 8.458 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 22 0.238 6.158 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 22 2.491 6.540 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.721 4.067 -0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.348 4.223 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.502 6.141 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.597 7.566 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.486 6.030 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.170 2.996 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.871 4.534 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.266 4.376 -2.014 1.00 0.00 H new ATOM 285 N TYR A 23 1.595 6.690 2.178 1.00 0.00 N ATOM 286 CA TYR A 23 1.588 6.268 3.574 1.00 0.00 C ATOM 287 C TYR A 23 0.170 6.277 4.138 1.00 0.00 C ATOM 288 O TYR A 23 -0.250 5.331 4.805 1.00 0.00 O ATOM 289 CB TYR A 23 2.487 7.181 4.409 1.00 0.00 C ATOM 290 CG TYR A 23 3.944 7.128 4.008 1.00 0.00 C ATOM 291 CD1 TYR A 23 4.688 5.966 4.169 1.00 0.00 C ATOM 292 CD2 TYR A 23 4.575 8.241 3.465 1.00 0.00 C ATOM 293 CE1 TYR A 23 6.019 5.914 3.805 1.00 0.00 C ATOM 294 CE2 TYR A 23 5.906 8.197 3.096 1.00 0.00 C ATOM 295 CZ TYR A 23 6.624 7.032 3.268 1.00 0.00 C ATOM 296 OH TYR A 23 7.949 6.984 2.902 1.00 0.00 O ATOM 0 H TYR A 23 2.098 7.560 2.003 1.00 0.00 H new ATOM 0 HA TYR A 23 1.972 5.249 3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.131 8.207 4.320 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.398 6.903 5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.217 5.088 4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.016 9.155 3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.584 5.003 3.940 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.382 9.070 2.675 1.00 0.00 H new ATOM 0 HH TYR A 23 8.327 7.888 2.921 1.00 0.00 H new ATOM 306 N ASP A 24 -0.561 7.352 3.866 1.00 0.00 N ATOM 307 CA ASP A 24 -1.932 7.485 4.344 1.00 0.00 C ATOM 308 C ASP A 24 -2.816 6.380 3.773 1.00 0.00 C ATOM 309 O ASP A 24 -3.543 5.713 4.509 1.00 0.00 O ATOM 310 CB ASP A 24 -2.497 8.854 3.964 1.00 0.00 C ATOM 311 CG ASP A 24 -2.204 9.912 5.009 1.00 0.00 C ATOM 312 OD1 ASP A 24 -2.203 9.574 6.212 1.00 0.00 O ATOM 313 OD2 ASP A 24 -1.973 11.078 4.625 1.00 0.00 O ATOM 0 H ASP A 24 -0.227 8.144 3.317 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.922 7.394 5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.075 9.165 3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.575 8.773 3.826 1.00 0.00 H new ATOM 318 N GLU A 25 -2.749 6.195 2.459 1.00 0.00 N ATOM 319 CA GLU A 25 -3.545 5.172 1.791 1.00 0.00 C ATOM 320 C GLU A 25 -3.350 3.811 2.453 1.00 0.00 C ATOM 321 O GLU A 25 -4.291 3.026 2.571 1.00 0.00 O ATOM 322 CB GLU A 25 -3.170 5.089 0.310 1.00 0.00 C ATOM 323 CG GLU A 25 -3.258 6.421 -0.416 1.00 0.00 C ATOM 324 CD GLU A 25 -3.600 6.263 -1.885 1.00 0.00 C ATOM 325 OE1 GLU A 25 -4.784 6.014 -2.194 1.00 0.00 O ATOM 326 OE2 GLU A 25 -2.684 6.388 -2.725 1.00 0.00 O ATOM 0 H GLU A 25 -2.152 6.739 1.836 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.595 5.452 1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.154 4.703 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.827 4.372 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.013 7.043 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.307 6.945 -0.323 1.00 0.00 H new ATOM 333 N ILE A 26 -2.122 3.540 2.883 1.00 0.00 N ATOM 334 CA ILE A 26 -1.804 2.275 3.534 1.00 0.00 C ATOM 335 C ILE A 26 -2.516 2.153 4.876 1.00 0.00 C ATOM 336 O ILE A 26 -3.070 1.103 5.202 1.00 0.00 O ATOM 337 CB ILE A 26 -0.287 2.122 3.755 1.00 0.00 C ATOM 338 CG1 ILE A 26 0.449 2.130 2.413 1.00 0.00 C ATOM 339 CG2 ILE A 26 0.010 0.841 4.520 1.00 0.00 C ATOM 340 CD1 ILE A 26 1.887 2.588 2.516 1.00 0.00 C ATOM 0 H ILE A 26 -1.332 4.179 2.792 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.149 1.483 2.869 1.00 0.00 H new ATOM 0 HB ILE A 26 0.066 2.966 4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.425 1.126 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.083 2.782 1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.086 0.747 4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.489 0.872 5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.354 -0.015 3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.347 2.569 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.918 3.604 2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.434 1.922 3.184 1.00 0.00 H new ATOM 352 N GLN A 27 -2.499 3.233 5.650 1.00 0.00 N ATOM 353 CA GLN A 27 -3.145 3.247 6.957 1.00 0.00 C ATOM 354 C GLN A 27 -4.635 2.949 6.831 1.00 0.00 C ATOM 355 O GLN A 27 -5.162 2.072 7.515 1.00 0.00 O ATOM 356 CB GLN A 27 -2.939 4.601 7.637 1.00 0.00 C ATOM 357 CG GLN A 27 -1.477 4.988 7.793 1.00 0.00 C ATOM 358 CD GLN A 27 -1.272 6.105 8.797 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.591 7.330 8.395 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 -0.833 5.869 9.923 1.00 0.00 N flip ATOM 0 H GLN A 27 -2.045 4.110 5.395 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.688 2.469 7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.450 5.370 7.058 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.407 4.579 8.621 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.905 4.114 8.106 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.082 5.298 6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.601 4.912 10.190 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.702 6.630 10.589 1.00 0.00 H new ATOM 369 N GLN A 28 -5.308 3.686 5.953 1.00 0.00 N ATOM 370 CA GLN A 28 -6.739 3.501 5.739 1.00 0.00 C ATOM 371 C GLN A 28 -7.023 2.145 5.100 1.00 0.00 C ATOM 372 O GLN A 28 -7.883 1.398 5.565 1.00 0.00 O ATOM 373 CB GLN A 28 -7.293 4.620 4.855 1.00 0.00 C ATOM 374 CG GLN A 28 -7.171 6.002 5.477 1.00 0.00 C ATOM 375 CD GLN A 28 -7.588 7.107 4.527 1.00 0.00 C ATOM 376 OE1 GLN A 28 -8.533 6.953 3.753 1.00 0.00 O ATOM 377 NE2 GLN A 28 -6.883 8.232 4.581 1.00 0.00 N ATOM 0 H GLN A 28 -4.886 4.416 5.379 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.233 3.536 6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.767 4.612 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.343 4.418 4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.787 6.048 6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.140 6.166 5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.107 8.317 5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.118 9.011 3.966 1.00 0.00 H new ATOM 386 N GLU A 29 -6.294 1.835 4.032 1.00 0.00 N ATOM 387 CA GLU A 29 -6.470 0.569 3.330 1.00 0.00 C ATOM 388 C GLU A 29 -6.539 -0.594 4.314 1.00 0.00 C ATOM 389 O GLU A 29 -7.257 -1.569 4.090 1.00 0.00 O ATOM 390 CB GLU A 29 -5.324 0.347 2.340 1.00 0.00 C ATOM 391 CG GLU A 29 -5.479 -0.911 1.502 1.00 0.00 C ATOM 392 CD GLU A 29 -6.849 -1.020 0.862 1.00 0.00 C ATOM 393 OE1 GLU A 29 -7.445 0.033 0.552 1.00 0.00 O ATOM 394 OE2 GLU A 29 -7.325 -2.159 0.670 1.00 0.00 O ATOM 0 H GLU A 29 -5.577 2.442 3.635 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.411 0.614 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.256 1.209 1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.385 0.293 2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.716 -0.921 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.305 -1.785 2.130 1.00 0.00 H new ATOM 401 N MET A 30 -5.787 -0.484 5.405 1.00 0.00 N ATOM 402 CA MET A 30 -5.764 -1.527 6.424 1.00 0.00 C ATOM 403 C MET A 30 -7.131 -1.670 7.087 1.00 0.00 C ATOM 404 O MET A 30 -7.724 -2.749 7.084 1.00 0.00 O ATOM 405 CB MET A 30 -4.702 -1.214 7.481 1.00 0.00 C ATOM 406 CG MET A 30 -3.322 -1.746 7.132 1.00 0.00 C ATOM 407 SD MET A 30 -2.095 -1.381 8.401 1.00 0.00 S ATOM 408 CE MET A 30 -1.380 0.129 7.756 1.00 0.00 C ATOM 0 H MET A 30 -5.187 0.316 5.606 1.00 0.00 H new ATOM 0 HA MET A 30 -5.515 -2.470 5.937 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.643 -0.134 7.616 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.015 -1.638 8.435 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.379 -2.825 6.987 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.999 -1.314 6.185 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.369 -0.070 7.400 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.990 0.497 6.931 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.345 0.881 8.544 1.00 0.00 H new ATOM 418 N LYS A 31 -7.625 -0.575 7.656 1.00 0.00 N ATOM 419 CA LYS A 31 -8.922 -0.578 8.322 1.00 0.00 C ATOM 420 C LYS A 31 -10.039 -0.903 7.336 1.00 0.00 C ATOM 421 O LYS A 31 -11.120 -1.341 7.731 1.00 0.00 O ATOM 422 CB LYS A 31 -9.185 0.780 8.976 1.00 0.00 C ATOM 423 CG LYS A 31 -9.929 1.754 8.080 1.00 0.00 C ATOM 424 CD LYS A 31 -11.434 1.634 8.254 1.00 0.00 C ATOM 425 CE LYS A 31 -11.946 2.578 9.331 1.00 0.00 C ATOM 426 NZ LYS A 31 -13.380 2.925 9.128 1.00 0.00 N ATOM 0 H LYS A 31 -7.146 0.326 7.669 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.905 -1.349 9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.760 0.628 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.233 1.223 9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.615 2.773 8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.666 1.566 7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.930 1.855 7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.691 0.608 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.819 2.115 10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.348 3.489 9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.691 3.570 9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.497 3.390 8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.954 2.058 9.155 1.00 0.00 H new ATOM 440 N ARG A 32 -9.771 -0.688 6.052 1.00 0.00 N ATOM 441 CA ARG A 32 -10.754 -0.959 5.010 1.00 0.00 C ATOM 442 C ARG A 32 -10.762 -2.440 4.642 1.00 0.00 C ATOM 443 O ARG A 32 -11.821 -3.036 4.450 1.00 0.00 O ATOM 444 CB ARG A 32 -10.459 -0.115 3.769 1.00 0.00 C ATOM 445 CG ARG A 32 -11.701 0.259 2.977 1.00 0.00 C ATOM 446 CD ARG A 32 -12.303 1.565 3.469 1.00 0.00 C ATOM 447 NE ARG A 32 -13.690 1.725 3.039 1.00 0.00 N ATOM 448 CZ ARG A 32 -14.290 2.904 2.917 1.00 0.00 C ATOM 449 NH1 ARG A 32 -13.629 4.020 3.191 1.00 0.00 N ATOM 450 NH2 ARG A 32 -15.554 2.968 2.520 1.00 0.00 N ATOM 0 H ARG A 32 -8.881 -0.327 5.708 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.738 -0.693 5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.945 0.796 4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.777 -0.664 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.447 0.349 1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.440 -0.538 3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.255 1.599 4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.710 2.400 3.097 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.227 0.886 2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.657 3.975 3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.093 4.924 3.096 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.066 2.112 2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.014 3.874 2.427 1.00 0.00 H new ATOM 464 N ALA A 33 -9.573 -3.026 4.545 1.00 0.00 N ATOM 465 CA ALA A 33 -9.443 -4.437 4.201 1.00 0.00 C ATOM 466 C ALA A 33 -9.482 -5.312 5.449 1.00 0.00 C ATOM 467 O ALA A 33 -9.635 -6.530 5.362 1.00 0.00 O ATOM 468 CB ALA A 33 -8.155 -4.675 3.427 1.00 0.00 C ATOM 0 H ALA A 33 -8.686 -2.546 4.700 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.289 -4.711 3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.071 -5.733 3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.167 -4.085 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.303 -4.378 4.038 1.00 0.00 H new ATOM 474 N LYS A 34 -9.341 -4.683 6.611 1.00 0.00 N ATOM 475 CA LYS A 34 -9.360 -5.404 7.879 1.00 0.00 C ATOM 476 C LYS A 34 -8.098 -6.244 8.046 1.00 0.00 C ATOM 477 O LYS A 34 -8.168 -7.429 8.373 1.00 0.00 O ATOM 478 CB LYS A 34 -10.597 -6.300 7.961 1.00 0.00 C ATOM 479 CG LYS A 34 -11.842 -5.675 7.355 1.00 0.00 C ATOM 480 CD LYS A 34 -12.572 -4.801 8.360 1.00 0.00 C ATOM 481 CE LYS A 34 -11.628 -3.815 9.031 1.00 0.00 C ATOM 482 NZ LYS A 34 -12.359 -2.659 9.621 1.00 0.00 N ATOM 0 H LYS A 34 -9.212 -3.675 6.701 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.396 -4.671 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.388 -7.241 7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.793 -6.540 9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.565 -5.078 6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.510 -6.461 7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.371 -4.256 7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.041 -5.429 9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.065 -4.326 9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.904 -3.452 8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.181 -1.808 9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.379 -2.862 9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.028 -2.499 10.594 1.00 0.00 H new ATOM 496 N VAL A 35 -6.945 -5.624 7.820 1.00 0.00 N ATOM 497 CA VAL A 35 -5.667 -6.314 7.948 1.00 0.00 C ATOM 498 C VAL A 35 -4.736 -5.575 8.903 1.00 0.00 C ATOM 499 O VAL A 35 -5.116 -4.569 9.501 1.00 0.00 O ATOM 500 CB VAL A 35 -4.970 -6.463 6.582 1.00 0.00 C ATOM 501 CG1 VAL A 35 -5.951 -6.966 5.534 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.350 -5.142 6.154 1.00 0.00 C ATOM 0 H VAL A 35 -6.869 -4.644 7.547 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.881 -7.305 8.348 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.171 -7.198 6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.441 -7.065 4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.343 -7.936 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.773 -6.257 5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.862 -5.265 5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.129 -4.384 6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.614 -4.829 6.895 1.00 0.00 H new ATOM 512 N SER A 36 -3.515 -6.082 9.041 1.00 0.00 N ATOM 513 CA SER A 36 -2.530 -5.472 9.927 1.00 0.00 C ATOM 514 C SER A 36 -1.296 -5.032 9.145 1.00 0.00 C ATOM 515 O SER A 36 -0.945 -5.633 8.130 1.00 0.00 O ATOM 516 CB SER A 36 -2.127 -6.454 11.029 1.00 0.00 C ATOM 517 OG SER A 36 -0.964 -6.010 11.706 1.00 0.00 O ATOM 0 H SER A 36 -3.184 -6.913 8.551 1.00 0.00 H new ATOM 0 HA SER A 36 -2.983 -4.592 10.383 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.946 -6.564 11.740 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.946 -7.438 10.596 1.00 0.00 H new ATOM 0 HG SER A 36 -0.236 -6.649 11.559 1.00 0.00 H new ATOM 523 N GLN A 37 -0.643 -3.980 9.627 1.00 0.00 N ATOM 524 CA GLN A 37 0.552 -3.458 8.973 1.00 0.00 C ATOM 525 C GLN A 37 1.446 -4.594 8.487 1.00 0.00 C ATOM 526 O GLN A 37 2.113 -4.476 7.459 1.00 0.00 O ATOM 527 CB GLN A 37 1.331 -2.556 9.932 1.00 0.00 C ATOM 528 CG GLN A 37 0.452 -1.850 10.952 1.00 0.00 C ATOM 529 CD GLN A 37 1.001 -0.496 11.358 1.00 0.00 C ATOM 530 OE1 GLN A 37 1.933 0.019 10.741 1.00 0.00 O ATOM 531 NE2 GLN A 37 0.423 0.088 12.402 1.00 0.00 N ATOM 0 H GLN A 37 -0.920 -3.472 10.467 1.00 0.00 H new ATOM 0 HA GLN A 37 0.237 -2.872 8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.074 -3.155 10.458 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.875 -1.809 9.354 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.548 -1.723 10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.353 -2.478 11.837 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.347 -0.376 12.884 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.749 1.000 12.722 1.00 0.00 H new ATOM 540 N ALA A 38 1.455 -5.694 9.232 1.00 0.00 N ATOM 541 CA ALA A 38 2.266 -6.852 8.876 1.00 0.00 C ATOM 542 C ALA A 38 1.740 -7.522 7.611 1.00 0.00 C ATOM 543 O ALA A 38 2.513 -7.912 6.735 1.00 0.00 O ATOM 544 CB ALA A 38 2.301 -7.846 10.027 1.00 0.00 C ATOM 0 H ALA A 38 0.910 -5.808 10.086 1.00 0.00 H new ATOM 0 HA ALA A 38 3.281 -6.507 8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.910 -8.706 9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.731 -7.368 10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.287 -8.178 10.252 1.00 0.00 H new ATOM 550 N LEU A 39 0.421 -7.654 7.522 1.00 0.00 N ATOM 551 CA LEU A 39 -0.209 -8.278 6.364 1.00 0.00 C ATOM 552 C LEU A 39 -0.081 -7.391 5.130 1.00 0.00 C ATOM 553 O LEU A 39 0.553 -7.767 4.144 1.00 0.00 O ATOM 554 CB LEU A 39 -1.684 -8.562 6.652 1.00 0.00 C ATOM 555 CG LEU A 39 -2.468 -9.244 5.530 1.00 0.00 C ATOM 556 CD1 LEU A 39 -1.743 -10.493 5.055 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.876 -9.587 5.996 1.00 0.00 C ATOM 0 H LEU A 39 -0.233 -7.337 8.238 1.00 0.00 H new ATOM 0 HA LEU A 39 0.304 -9.219 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.746 -9.187 7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.175 -7.618 6.890 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.542 -8.551 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.316 -10.965 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.756 -10.221 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.637 -11.190 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.420 -10.072 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.822 -10.261 6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.396 -8.674 6.286 1.00 0.00 H new ATOM 569 N PHE A 40 -0.686 -6.209 5.192 1.00 0.00 N ATOM 570 CA PHE A 40 -0.639 -5.267 4.081 1.00 0.00 C ATOM 571 C PHE A 40 0.768 -5.184 3.497 1.00 0.00 C ATOM 572 O PHE A 40 0.943 -5.068 2.284 1.00 0.00 O ATOM 573 CB PHE A 40 -1.095 -3.880 4.540 1.00 0.00 C ATOM 574 CG PHE A 40 -0.960 -2.823 3.481 1.00 0.00 C ATOM 575 CD1 PHE A 40 0.286 -2.320 3.141 1.00 0.00 C ATOM 576 CD2 PHE A 40 -2.078 -2.333 2.826 1.00 0.00 C ATOM 577 CE1 PHE A 40 0.412 -1.347 2.168 1.00 0.00 C ATOM 578 CE2 PHE A 40 -1.957 -1.361 1.852 1.00 0.00 C ATOM 579 CZ PHE A 40 -0.710 -0.868 1.522 1.00 0.00 C ATOM 0 H PHE A 40 -1.215 -5.881 6.000 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.315 -5.626 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.137 -3.935 4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.512 -3.585 5.413 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.167 -2.692 3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.056 -2.715 3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.388 -0.961 1.913 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.837 -0.987 1.349 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.613 -0.109 0.760 1.00 0.00 H new ATOM 589 N ALA A 41 1.769 -5.244 4.369 1.00 0.00 N ATOM 590 CA ALA A 41 3.161 -5.178 3.942 1.00 0.00 C ATOM 591 C ALA A 41 3.648 -6.535 3.444 1.00 0.00 C ATOM 592 O ALA A 41 4.581 -6.617 2.645 1.00 0.00 O ATOM 593 CB ALA A 41 4.040 -4.684 5.081 1.00 0.00 C ATOM 0 H ALA A 41 1.641 -5.338 5.377 1.00 0.00 H new ATOM 0 HA ALA A 41 3.228 -4.472 3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.077 -4.640 4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.714 -3.690 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.959 -5.368 5.926 1.00 0.00 H new ATOM 599 N LYS A 42 3.011 -7.598 3.923 1.00 0.00 N ATOM 600 CA LYS A 42 3.378 -8.953 3.527 1.00 0.00 C ATOM 601 C LYS A 42 2.739 -9.322 2.192 1.00 0.00 C ATOM 602 O LYS A 42 3.265 -10.150 1.449 1.00 0.00 O ATOM 603 CB LYS A 42 2.951 -9.954 4.603 1.00 0.00 C ATOM 604 CG LYS A 42 3.372 -11.382 4.306 1.00 0.00 C ATOM 605 CD LYS A 42 2.330 -12.109 3.473 1.00 0.00 C ATOM 606 CE LYS A 42 2.959 -13.203 2.623 1.00 0.00 C ATOM 607 NZ LYS A 42 3.498 -12.669 1.342 1.00 0.00 N ATOM 0 H LYS A 42 2.238 -7.548 4.586 1.00 0.00 H new ATOM 0 HA LYS A 42 4.461 -8.991 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.376 -9.650 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.867 -9.919 4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.325 -11.379 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.529 -11.918 5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.577 -12.545 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.816 -11.396 2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.762 -13.682 3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.215 -13.972 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.308 -13.346 0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.039 -11.762 1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.524 -12.525 1.430 1.00 0.00 H new ATOM 621 N VAL A 43 1.602 -8.701 1.894 1.00 0.00 N ATOM 622 CA VAL A 43 0.893 -8.962 0.647 1.00 0.00 C ATOM 623 C VAL A 43 1.154 -7.861 -0.375 1.00 0.00 C ATOM 624 O VAL A 43 0.864 -8.019 -1.561 1.00 0.00 O ATOM 625 CB VAL A 43 -0.625 -9.082 0.879 1.00 0.00 C ATOM 626 CG1 VAL A 43 -0.948 -10.346 1.662 1.00 0.00 C ATOM 627 CG2 VAL A 43 -1.152 -7.850 1.599 1.00 0.00 C ATOM 0 H VAL A 43 1.152 -8.014 2.499 1.00 0.00 H new ATOM 0 HA VAL A 43 1.270 -9.909 0.261 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.119 -9.148 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.025 -10.413 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.606 -11.217 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.445 -10.314 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.226 -7.951 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.653 -7.751 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.955 -6.964 0.996 1.00 0.00 H new ATOM 637 N ALA A 44 1.705 -6.746 0.093 1.00 0.00 N ATOM 638 CA ALA A 44 2.008 -5.619 -0.781 1.00 0.00 C ATOM 639 C ALA A 44 3.475 -5.627 -1.198 1.00 0.00 C ATOM 640 O ALA A 44 3.793 -5.762 -2.379 1.00 0.00 O ATOM 641 CB ALA A 44 1.660 -4.308 -0.092 1.00 0.00 C ATOM 0 H ALA A 44 1.951 -6.599 1.072 1.00 0.00 H new ATOM 0 HA ALA A 44 1.401 -5.716 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.891 -3.475 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.597 -4.295 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.242 -4.213 0.825 1.00 0.00 H new ATOM 647 N ALA A 45 4.363 -5.480 -0.220 1.00 0.00 N ATOM 648 CA ALA A 45 5.797 -5.472 -0.486 1.00 0.00 C ATOM 649 C ALA A 45 6.447 -6.774 -0.032 1.00 0.00 C ATOM 650 O ALA A 45 7.626 -7.013 -0.289 1.00 0.00 O ATOM 651 CB ALA A 45 6.454 -4.284 0.200 1.00 0.00 C ATOM 0 H ALA A 45 4.115 -5.365 0.763 1.00 0.00 H new ATOM 0 HA ALA A 45 5.941 -5.381 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.524 -4.290 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.017 -3.359 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.292 -4.350 1.276 1.00 0.00 H new ATOM 657 N ASN A 46 5.670 -7.613 0.647 1.00 0.00 N ATOM 658 CA ASN A 46 6.172 -8.891 1.138 1.00 0.00 C ATOM 659 C ASN A 46 7.255 -8.681 2.192 1.00 0.00 C ATOM 660 O ASN A 46 8.163 -9.499 2.337 1.00 0.00 O ATOM 661 CB ASN A 46 6.726 -9.724 -0.019 1.00 0.00 C ATOM 662 CG ASN A 46 6.806 -11.201 0.318 1.00 0.00 C ATOM 663 OD1 ASN A 46 6.507 -11.610 1.440 1.00 0.00 O ATOM 664 ND2 ASN A 46 7.211 -12.008 -0.655 1.00 0.00 N ATOM 0 H ASN A 46 4.691 -7.431 0.869 1.00 0.00 H new ATOM 0 HA ASN A 46 5.341 -9.427 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.094 -9.588 -0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.719 -9.360 -0.282 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.285 -13.012 -0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.449 -11.625 -1.570 1.00 0.00 H new ATOM 671 N LYS A 47 7.151 -7.579 2.928 1.00 0.00 N ATOM 672 CA LYS A 47 8.120 -7.261 3.970 1.00 0.00 C ATOM 673 C LYS A 47 7.556 -7.578 5.352 1.00 0.00 C ATOM 674 O LYS A 47 6.451 -8.107 5.475 1.00 0.00 O ATOM 675 CB LYS A 47 8.513 -5.784 3.896 1.00 0.00 C ATOM 676 CG LYS A 47 9.656 -5.507 2.934 1.00 0.00 C ATOM 677 CD LYS A 47 11.005 -5.613 3.625 1.00 0.00 C ATOM 678 CE LYS A 47 12.031 -4.686 2.992 1.00 0.00 C ATOM 679 NZ LYS A 47 13.325 -4.705 3.728 1.00 0.00 N ATOM 0 H LYS A 47 6.405 -6.891 2.822 1.00 0.00 H new ATOM 0 HA LYS A 47 9.006 -7.875 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.644 -5.200 3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.796 -5.441 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.614 -6.214 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.541 -4.510 2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.894 -5.367 4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.362 -6.642 3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.198 -4.982 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.639 -3.669 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.997 -4.060 3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.171 -4.398 4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.712 -5.670 3.724 1.00 0.00 H new ATOM 693 N SER A 48 8.321 -7.251 6.388 1.00 0.00 N ATOM 694 CA SER A 48 7.898 -7.503 7.760 1.00 0.00 C ATOM 695 C SER A 48 7.258 -6.260 8.369 1.00 0.00 C ATOM 696 O SER A 48 7.639 -5.134 8.051 1.00 0.00 O ATOM 697 CB SER A 48 9.091 -7.945 8.611 1.00 0.00 C ATOM 698 OG SER A 48 9.934 -6.848 8.916 1.00 0.00 O ATOM 0 H SER A 48 9.237 -6.811 6.303 1.00 0.00 H new ATOM 0 HA SER A 48 7.156 -8.301 7.744 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.734 -8.401 9.534 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.659 -8.707 8.078 1.00 0.00 H new ATOM 0 HG SER A 48 10.687 -7.156 9.462 1.00 0.00 H new ATOM 704 N GLN A 49 6.282 -6.473 9.246 1.00 0.00 N ATOM 705 CA GLN A 49 5.588 -5.370 9.900 1.00 0.00 C ATOM 706 C GLN A 49 6.555 -4.238 10.230 1.00 0.00 C ATOM 707 O GLN A 49 6.329 -3.087 9.860 1.00 0.00 O ATOM 708 CB GLN A 49 4.899 -5.857 11.175 1.00 0.00 C ATOM 709 CG GLN A 49 3.671 -5.044 11.552 1.00 0.00 C ATOM 710 CD GLN A 49 2.908 -5.644 12.716 1.00 0.00 C ATOM 711 OE1 GLN A 49 1.780 -6.113 12.559 1.00 0.00 O ATOM 712 NE2 GLN A 49 3.520 -5.633 13.894 1.00 0.00 N ATOM 0 H GLN A 49 5.954 -7.399 9.520 1.00 0.00 H new ATOM 0 HA GLN A 49 4.834 -4.989 9.211 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.608 -6.900 11.045 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.612 -5.825 11.998 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.976 -4.029 11.807 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.010 -4.970 10.689 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.455 -5.234 13.979 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.055 -6.023 14.714 1.00 0.00 H new ATOM 721 N GLY A 50 7.634 -4.573 10.932 1.00 0.00 N ATOM 722 CA GLY A 50 8.619 -3.574 11.301 1.00 0.00 C ATOM 723 C GLY A 50 8.949 -2.634 10.158 1.00 0.00 C ATOM 724 O GLY A 50 9.113 -1.431 10.363 1.00 0.00 O ATOM 0 H GLY A 50 7.843 -5.519 11.251 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.246 -2.996 12.147 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.530 -4.072 11.632 1.00 0.00 H new ATOM 728 N TRP A 51 9.047 -3.183 8.953 1.00 0.00 N ATOM 729 CA TRP A 51 9.361 -2.385 7.773 1.00 0.00 C ATOM 730 C TRP A 51 8.196 -1.472 7.408 1.00 0.00 C ATOM 731 O TRP A 51 8.395 -0.376 6.882 1.00 0.00 O ATOM 732 CB TRP A 51 9.702 -3.296 6.592 1.00 0.00 C ATOM 733 CG TRP A 51 10.022 -2.544 5.336 1.00 0.00 C ATOM 734 CD1 TRP A 51 11.263 -2.206 4.877 1.00 0.00 C ATOM 735 CD2 TRP A 51 9.086 -2.036 4.379 1.00 0.00 C ATOM 736 NE1 TRP A 51 11.155 -1.518 3.692 1.00 0.00 N ATOM 737 CE2 TRP A 51 9.830 -1.401 3.365 1.00 0.00 C ATOM 738 CE3 TRP A 51 7.693 -2.057 4.279 1.00 0.00 C ATOM 739 CZ2 TRP A 51 9.226 -0.794 2.268 1.00 0.00 C ATOM 740 CZ3 TRP A 51 7.094 -1.453 3.190 1.00 0.00 C ATOM 741 CH2 TRP A 51 7.859 -0.829 2.196 1.00 0.00 C ATOM 0 H TRP A 51 8.914 -4.177 8.767 1.00 0.00 H new ATOM 0 HA TRP A 51 10.226 -1.763 8.004 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.553 -3.922 6.859 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.862 -3.964 6.403 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.193 -2.444 5.372 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.935 -1.154 3.145 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.095 -2.537 5.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.814 -0.313 1.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.017 -1.462 3.104 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.361 -0.367 1.357 1.00 0.00 H new ATOM 752 N LEU A 52 6.981 -1.930 7.689 1.00 0.00 N ATOM 753 CA LEU A 52 5.783 -1.153 7.389 1.00 0.00 C ATOM 754 C LEU A 52 5.518 -0.118 8.479 1.00 0.00 C ATOM 755 O LEU A 52 5.470 1.082 8.210 1.00 0.00 O ATOM 756 CB LEU A 52 4.574 -2.079 7.245 1.00 0.00 C ATOM 757 CG LEU A 52 3.334 -1.467 6.591 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.783 -0.337 7.446 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.661 -0.968 5.191 1.00 0.00 C ATOM 0 H LEU A 52 6.799 -2.835 8.124 1.00 0.00 H new ATOM 0 HA LEU A 52 5.946 -0.629 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.876 -2.949 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.297 -2.439 8.236 1.00 0.00 H new ATOM 0 HG LEU A 52 2.570 -2.240 6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.901 0.086 6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.510 -0.723 8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.542 0.437 7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.767 -0.536 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.442 -0.209 5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.009 -1.801 4.580 1.00 0.00 H new ATOM 771 N CYS A 53 5.350 -0.592 9.708 1.00 0.00 N ATOM 772 CA CYS A 53 5.092 0.292 10.839 1.00 0.00 C ATOM 773 C CYS A 53 5.955 1.547 10.757 1.00 0.00 C ATOM 774 O CYS A 53 5.450 2.665 10.849 1.00 0.00 O ATOM 775 CB CYS A 53 5.358 -0.439 12.156 1.00 0.00 C ATOM 776 SG CYS A 53 4.430 0.213 13.563 1.00 0.00 S ATOM 0 H CYS A 53 5.388 -1.583 9.947 1.00 0.00 H new ATOM 0 HA CYS A 53 4.044 0.591 10.803 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.112 -1.493 12.030 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.423 -0.385 12.381 1.00 0.00 H new ATOM 0 HG CYS A 53 4.721 -0.472 14.629 1.00 0.00 H new ATOM 782 N GLU A 54 7.258 1.352 10.583 1.00 0.00 N ATOM 783 CA GLU A 54 8.191 2.469 10.491 1.00 0.00 C ATOM 784 C GLU A 54 7.738 3.470 9.431 1.00 0.00 C ATOM 785 O GLU A 54 7.579 4.659 9.712 1.00 0.00 O ATOM 786 CB GLU A 54 9.597 1.963 10.162 1.00 0.00 C ATOM 787 CG GLU A 54 10.197 1.084 11.247 1.00 0.00 C ATOM 788 CD GLU A 54 11.344 0.233 10.741 1.00 0.00 C ATOM 789 OE1 GLU A 54 11.197 -0.379 9.662 1.00 0.00 O ATOM 790 OE2 GLU A 54 12.389 0.177 11.422 1.00 0.00 O ATOM 0 H GLU A 54 7.691 0.432 10.503 1.00 0.00 H new ATOM 0 HA GLU A 54 8.211 2.973 11.457 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.563 1.401 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.252 2.818 9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.549 1.713 12.065 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.421 0.436 11.655 1.00 0.00 H new ATOM 797 N LEU A 55 7.533 2.981 8.214 1.00 0.00 N ATOM 798 CA LEU A 55 7.100 3.831 7.110 1.00 0.00 C ATOM 799 C LEU A 55 6.022 4.809 7.568 1.00 0.00 C ATOM 800 O LEU A 55 6.051 5.990 7.218 1.00 0.00 O ATOM 801 CB LEU A 55 6.571 2.975 5.958 1.00 0.00 C ATOM 802 CG LEU A 55 7.596 2.572 4.897 1.00 0.00 C ATOM 803 CD1 LEU A 55 8.933 2.245 5.543 1.00 0.00 C ATOM 804 CD2 LEU A 55 7.088 1.387 4.088 1.00 0.00 C ATOM 0 H LEU A 55 7.660 2.000 7.966 1.00 0.00 H new ATOM 0 HA LEU A 55 7.961 4.402 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.135 2.068 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.765 3.520 5.467 1.00 0.00 H new ATOM 0 HG LEU A 55 7.740 3.414 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.649 1.960 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.303 3.120 6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.806 1.419 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.830 1.114 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.915 0.540 4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.155 1.657 3.594 1.00 0.00 H new ATOM 816 N LEU A 56 5.074 4.311 8.354 1.00 0.00 N ATOM 817 CA LEU A 56 3.987 5.141 8.862 1.00 0.00 C ATOM 818 C LEU A 56 4.471 6.035 9.999 1.00 0.00 C ATOM 819 O LEU A 56 3.911 7.104 10.243 1.00 0.00 O ATOM 820 CB LEU A 56 2.831 4.264 9.344 1.00 0.00 C ATOM 821 CG LEU A 56 2.451 3.095 8.435 1.00 0.00 C ATOM 822 CD1 LEU A 56 1.275 2.326 9.017 1.00 0.00 C ATOM 823 CD2 LEU A 56 2.123 3.594 7.035 1.00 0.00 C ATOM 0 H LEU A 56 5.036 3.337 8.653 1.00 0.00 H new ATOM 0 HA LEU A 56 3.637 5.776 8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.088 3.866 10.326 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.953 4.896 9.476 1.00 0.00 H new ATOM 0 HG LEU A 56 3.304 2.419 8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.019 1.498 8.356 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.545 1.937 9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.417 2.991 9.114 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.855 2.749 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.286 4.291 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.993 4.100 6.616 1.00 0.00 H new ATOM 835 N ARG A 57 5.516 5.591 10.690 1.00 0.00 N ATOM 836 CA ARG A 57 6.077 6.352 11.801 1.00 0.00 C ATOM 837 C ARG A 57 6.900 7.531 11.292 1.00 0.00 C ATOM 838 O ARG A 57 6.630 8.683 11.634 1.00 0.00 O ATOM 839 CB ARG A 57 6.947 5.449 12.677 1.00 0.00 C ATOM 840 CG ARG A 57 7.790 6.210 13.687 1.00 0.00 C ATOM 841 CD ARG A 57 8.574 5.264 14.584 1.00 0.00 C ATOM 842 NE ARG A 57 8.803 5.831 15.910 1.00 0.00 N ATOM 843 CZ ARG A 57 9.026 5.097 16.994 1.00 0.00 C ATOM 844 NH1 ARG A 57 9.051 3.774 16.910 1.00 0.00 N ATOM 845 NH2 ARG A 57 9.226 5.686 18.166 1.00 0.00 N ATOM 0 H ARG A 57 5.991 4.709 10.500 1.00 0.00 H new ATOM 0 HA ARG A 57 5.251 6.739 12.397 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.306 4.745 13.208 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.605 4.861 12.037 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.480 6.871 13.162 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.145 6.842 14.298 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.032 4.323 14.681 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.532 5.033 14.118 1.00 0.00 H new ATOM 0 HE ARG A 57 8.791 6.846 16.009 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.899 3.317 16.011 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.223 3.213 17.745 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.209 6.704 18.235 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.397 5.121 18.998 1.00 0.00 H new ATOM 859 N TRP A 58 7.903 7.237 10.474 1.00 0.00 N ATOM 860 CA TRP A 58 8.766 8.273 9.918 1.00 0.00 C ATOM 861 C TRP A 58 8.103 8.952 8.725 1.00 0.00 C ATOM 862 O TRP A 58 8.101 10.178 8.616 1.00 0.00 O ATOM 863 CB TRP A 58 10.110 7.676 9.499 1.00 0.00 C ATOM 864 CG TRP A 58 10.795 6.924 10.600 1.00 0.00 C ATOM 865 CD1 TRP A 58 10.694 5.588 10.866 1.00 0.00 C ATOM 866 CD2 TRP A 58 11.685 7.465 11.583 1.00 0.00 C ATOM 867 NE1 TRP A 58 11.467 5.266 11.955 1.00 0.00 N ATOM 868 CE2 TRP A 58 12.085 6.399 12.413 1.00 0.00 C ATOM 869 CE3 TRP A 58 12.183 8.744 11.842 1.00 0.00 C ATOM 870 CZ2 TRP A 58 12.959 6.577 13.482 1.00 0.00 C ATOM 871 CZ3 TRP A 58 13.050 8.919 12.903 1.00 0.00 C ATOM 872 CH2 TRP A 58 13.432 7.840 13.712 1.00 0.00 C ATOM 0 H TRP A 58 8.139 6.289 10.180 1.00 0.00 H new ATOM 0 HA TRP A 58 8.935 9.023 10.691 1.00 0.00 H new ATOM 0 HB2 TRP A 58 9.954 7.006 8.653 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.764 8.477 9.154 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.095 4.888 10.303 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.565 4.334 12.357 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.895 9.581 11.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.253 5.747 14.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.440 9.904 13.113 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.113 8.009 14.533 1.00 0.00 H new ATOM 883 N LYS A 59 7.539 8.147 7.830 1.00 0.00 N ATOM 884 CA LYS A 59 6.870 8.669 6.645 1.00 0.00 C ATOM 885 C LYS A 59 7.804 9.573 5.847 1.00 0.00 C ATOM 886 O LYS A 59 7.426 10.673 5.446 1.00 0.00 O ATOM 887 CB LYS A 59 5.612 9.444 7.043 1.00 0.00 C ATOM 888 CG LYS A 59 4.570 8.591 7.747 1.00 0.00 C ATOM 889 CD LYS A 59 3.241 9.319 7.865 1.00 0.00 C ATOM 890 CE LYS A 59 2.079 8.343 7.964 1.00 0.00 C ATOM 891 NZ LYS A 59 0.830 8.907 7.382 1.00 0.00 N ATOM 0 H LYS A 59 7.532 7.130 7.904 1.00 0.00 H new ATOM 0 HA LYS A 59 6.586 7.824 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.895 10.270 7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.167 9.882 6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.429 7.660 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.929 8.323 8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.254 9.962 8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.101 9.966 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.336 7.419 7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.909 8.086 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.010 8.378 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.742 9.908 7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.864 8.830 6.345 1.00 0.00 H new ATOM 905 N GLU A 60 9.026 9.099 5.618 1.00 0.00 N ATOM 906 CA GLU A 60 10.013 9.866 4.867 1.00 0.00 C ATOM 907 C GLU A 60 9.431 10.353 3.543 1.00 0.00 C ATOM 908 O GLU A 60 8.347 9.936 3.139 1.00 0.00 O ATOM 909 CB GLU A 60 11.260 9.018 4.607 1.00 0.00 C ATOM 910 CG GLU A 60 12.321 9.149 5.687 1.00 0.00 C ATOM 911 CD GLU A 60 12.156 8.128 6.795 1.00 0.00 C ATOM 912 OE1 GLU A 60 11.609 7.039 6.521 1.00 0.00 O ATOM 913 OE2 GLU A 60 12.574 8.416 7.936 1.00 0.00 O ATOM 0 H GLU A 60 9.355 8.189 5.941 1.00 0.00 H new ATOM 0 HA GLU A 60 10.291 10.735 5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.966 7.972 4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.692 9.306 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.307 9.035 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.279 10.151 6.113 1.00 0.00 H new ATOM 920 N ASN A 61 10.161 11.239 2.874 1.00 0.00 N ATOM 921 CA ASN A 61 9.717 11.785 1.596 1.00 0.00 C ATOM 922 C ASN A 61 10.112 10.865 0.445 1.00 0.00 C ATOM 923 O ASN A 61 11.291 10.660 0.158 1.00 0.00 O ATOM 924 CB ASN A 61 10.313 13.177 1.378 1.00 0.00 C ATOM 925 CG ASN A 61 10.332 13.575 -0.086 1.00 0.00 C ATOM 926 OD1 ASN A 61 9.496 13.131 -0.872 1.00 0.00 O ATOM 927 ND2 ASN A 61 11.290 14.417 -0.457 1.00 0.00 N ATOM 0 H ASN A 61 11.062 11.594 3.195 1.00 0.00 H new ATOM 0 HA ASN A 61 8.630 11.862 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.736 13.909 1.943 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.329 13.200 1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.354 14.721 -1.429 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.962 14.760 0.230 1.00 0.00 H new ATOM 934 N PRO A 62 9.102 10.296 -0.231 1.00 0.00 N ATOM 935 CA PRO A 62 9.319 9.390 -1.362 1.00 0.00 C ATOM 936 C PRO A 62 9.863 10.113 -2.589 1.00 0.00 C ATOM 937 O PRO A 62 9.471 11.243 -2.880 1.00 0.00 O ATOM 938 CB PRO A 62 7.920 8.835 -1.645 1.00 0.00 C ATOM 939 CG PRO A 62 6.988 9.878 -1.132 1.00 0.00 C ATOM 940 CD PRO A 62 7.672 10.496 0.056 1.00 0.00 C ATOM 0 HA PRO A 62 10.059 8.623 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.771 8.661 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.763 7.881 -1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.781 10.627 -1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.031 9.440 -0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.426 11.553 0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.377 10.011 0.987 1.00 0.00 H new ATOM 948 N SER A 63 10.768 9.454 -3.306 1.00 0.00 N ATOM 949 CA SER A 63 11.369 10.037 -4.501 1.00 0.00 C ATOM 950 C SER A 63 12.053 8.964 -5.342 1.00 0.00 C ATOM 951 O SER A 63 12.408 7.890 -4.857 1.00 0.00 O ATOM 952 CB SER A 63 12.378 11.119 -4.114 1.00 0.00 C ATOM 953 OG SER A 63 11.755 12.388 -4.020 1.00 0.00 O ATOM 0 H SER A 63 11.101 8.517 -3.081 1.00 0.00 H new ATOM 0 HA SER A 63 10.574 10.488 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.839 10.866 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.177 11.157 -4.854 1.00 0.00 H new ATOM 0 HG SER A 63 10.870 12.289 -3.610 1.00 0.00 H new ATOM 959 N PRO A 64 12.244 9.261 -6.636 1.00 0.00 N ATOM 960 CA PRO A 64 12.887 8.336 -7.574 1.00 0.00 C ATOM 961 C PRO A 64 14.376 8.168 -7.292 1.00 0.00 C ATOM 962 O PRO A 64 15.069 7.428 -7.991 1.00 0.00 O ATOM 963 CB PRO A 64 12.673 9.005 -8.935 1.00 0.00 C ATOM 964 CG PRO A 64 12.522 10.454 -8.625 1.00 0.00 C ATOM 965 CD PRO A 64 11.847 10.523 -7.283 1.00 0.00 C ATOM 0 HA PRO A 64 12.469 7.331 -7.507 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.518 8.828 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.787 8.612 -9.434 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.492 10.951 -8.600 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.926 10.956 -9.387 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.178 11.390 -6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.764 10.601 -7.381 1.00 0.00 H new ATOM 973 N GLU A 65 14.861 8.858 -6.265 1.00 0.00 N ATOM 974 CA GLU A 65 16.269 8.783 -5.892 1.00 0.00 C ATOM 975 C GLU A 65 16.512 7.643 -4.907 1.00 0.00 C ATOM 976 O GLU A 65 17.524 6.949 -4.982 1.00 0.00 O ATOM 977 CB GLU A 65 16.728 10.108 -5.279 1.00 0.00 C ATOM 978 CG GLU A 65 17.090 11.163 -6.311 1.00 0.00 C ATOM 979 CD GLU A 65 18.478 10.961 -6.889 1.00 0.00 C ATOM 980 OE1 GLU A 65 19.362 10.472 -6.155 1.00 0.00 O ATOM 981 OE2 GLU A 65 18.679 11.293 -8.076 1.00 0.00 O ATOM 0 H GLU A 65 14.301 9.475 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 65 16.848 8.588 -6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.936 10.496 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.593 9.924 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.358 11.143 -7.118 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.032 12.150 -5.852 1.00 0.00 H new ATOM 988 N ASN A 66 15.574 7.458 -3.983 1.00 0.00 N ATOM 989 CA ASN A 66 15.686 6.404 -2.982 1.00 0.00 C ATOM 990 C ASN A 66 15.256 5.058 -3.558 1.00 0.00 C ATOM 991 O ASN A 66 14.071 4.823 -3.795 1.00 0.00 O ATOM 992 CB ASN A 66 14.833 6.743 -1.757 1.00 0.00 C ATOM 993 CG ASN A 66 15.242 5.950 -0.531 1.00 0.00 C ATOM 994 OD1 ASN A 66 15.780 4.848 -0.641 1.00 0.00 O ATOM 995 ND2 ASN A 66 14.987 6.508 0.647 1.00 0.00 N ATOM 0 H ASN A 66 14.729 8.024 -3.907 1.00 0.00 H new ATOM 0 HA ASN A 66 16.731 6.333 -2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.918 7.808 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.785 6.545 -1.981 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.239 6.021 1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.539 7.423 0.691 1.00 0.00 H new ATOM 1002 N ARG A 67 16.227 4.179 -3.781 1.00 0.00 N ATOM 1003 CA ARG A 67 15.949 2.857 -4.330 1.00 0.00 C ATOM 1004 C ARG A 67 15.206 1.992 -3.316 1.00 0.00 C ATOM 1005 O ARG A 67 14.037 1.657 -3.507 1.00 0.00 O ATOM 1006 CB ARG A 67 17.252 2.170 -4.745 1.00 0.00 C ATOM 1007 CG ARG A 67 17.822 2.688 -6.056 1.00 0.00 C ATOM 1008 CD ARG A 67 17.252 1.935 -7.248 1.00 0.00 C ATOM 1009 NE ARG A 67 18.178 1.916 -8.377 1.00 0.00 N ATOM 1010 CZ ARG A 67 19.167 1.038 -8.501 1.00 0.00 C ATOM 1011 NH1 ARG A 67 19.358 0.113 -7.571 1.00 0.00 N ATOM 1012 NH2 ARG A 67 19.968 1.085 -9.558 1.00 0.00 N ATOM 0 H ARG A 67 17.213 4.358 -3.590 1.00 0.00 H new ATOM 0 HA ARG A 67 15.316 2.982 -5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 67 17.992 2.307 -3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 67 17.076 1.098 -4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.600 3.751 -6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.907 2.588 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.019 0.912 -6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.315 2.399 -7.556 1.00 0.00 H new ATOM 0 HE ARG A 67 18.059 2.615 -9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.745 0.074 -6.757 1.00 0.00 H new ATOM 0 HH12 ARG A 67 20.118 -0.560 -7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.824 1.796 -10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 67 20.727 0.411 -9.653 1.00 0.00 H new ATOM 1026 N THR A 68 15.894 1.632 -2.236 1.00 0.00 N ATOM 1027 CA THR A 68 15.301 0.805 -1.193 1.00 0.00 C ATOM 1028 C THR A 68 13.893 1.279 -0.850 1.00 0.00 C ATOM 1029 O THR A 68 13.019 0.475 -0.523 1.00 0.00 O ATOM 1030 CB THR A 68 16.159 0.814 0.086 1.00 0.00 C ATOM 1031 OG1 THR A 68 17.476 0.332 -0.204 1.00 0.00 O ATOM 1032 CG2 THR A 68 15.525 -0.048 1.168 1.00 0.00 C ATOM 0 H THR A 68 16.862 1.901 -2.062 1.00 0.00 H new ATOM 0 HA THR A 68 15.254 -0.212 -1.583 1.00 0.00 H new ATOM 0 HB THR A 68 16.220 1.840 0.449 1.00 0.00 H new ATOM 0 HG1 THR A 68 18.016 0.343 0.614 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.148 -0.027 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.534 0.338 1.407 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.438 -1.074 0.811 1.00 0.00 H new ATOM 1040 N LEU A 69 13.679 2.587 -0.928 1.00 0.00 N ATOM 1041 CA LEU A 69 12.375 3.168 -0.626 1.00 0.00 C ATOM 1042 C LEU A 69 11.476 3.158 -1.858 1.00 0.00 C ATOM 1043 O LEU A 69 10.482 2.433 -1.907 1.00 0.00 O ATOM 1044 CB LEU A 69 12.539 4.600 -0.112 1.00 0.00 C ATOM 1045 CG LEU A 69 11.474 5.087 0.871 1.00 0.00 C ATOM 1046 CD1 LEU A 69 11.394 4.159 2.074 1.00 0.00 C ATOM 1047 CD2 LEU A 69 11.769 6.513 1.314 1.00 0.00 C ATOM 0 H LEU A 69 14.391 3.266 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 69 11.905 2.562 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.514 4.682 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.549 5.273 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 69 10.508 5.077 0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.631 4.521 2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.135 3.154 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.359 4.136 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.001 6.843 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.743 6.548 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.775 7.170 0.445 1.00 0.00 H new ATOM 1059 N TRP A 70 11.833 3.965 -2.851 1.00 0.00 N ATOM 1060 CA TRP A 70 11.059 4.047 -4.084 1.00 0.00 C ATOM 1061 C TRP A 70 10.657 2.658 -4.568 1.00 0.00 C ATOM 1062 O TRP A 70 9.491 2.410 -4.871 1.00 0.00 O ATOM 1063 CB TRP A 70 11.863 4.765 -5.168 1.00 0.00 C ATOM 1064 CG TRP A 70 11.052 5.109 -6.381 1.00 0.00 C ATOM 1065 CD1 TRP A 70 10.978 4.400 -7.546 1.00 0.00 C ATOM 1066 CD2 TRP A 70 10.201 6.249 -6.548 1.00 0.00 C ATOM 1067 NE1 TRP A 70 10.132 5.030 -8.427 1.00 0.00 N ATOM 1068 CE2 TRP A 70 9.643 6.166 -7.838 1.00 0.00 C ATOM 1069 CE3 TRP A 70 9.856 7.330 -5.733 1.00 0.00 C ATOM 1070 CZ2 TRP A 70 8.760 7.123 -8.330 1.00 0.00 C ATOM 1071 CZ3 TRP A 70 8.979 8.279 -6.222 1.00 0.00 C ATOM 1072 CH2 TRP A 70 8.439 8.171 -7.510 1.00 0.00 C ATOM 0 H TRP A 70 12.653 4.571 -2.826 1.00 0.00 H new ATOM 0 HA TRP A 70 10.152 4.616 -3.877 1.00 0.00 H new ATOM 0 HB2 TRP A 70 12.285 5.679 -4.751 1.00 0.00 H new ATOM 0 HB3 TRP A 70 12.700 4.134 -5.467 1.00 0.00 H new ATOM 0 HD1 TRP A 70 11.507 3.480 -7.746 1.00 0.00 H new ATOM 0 HE1 TRP A 70 9.905 4.705 -9.367 1.00 0.00 H new ATOM 0 HE3 TRP A 70 10.267 7.422 -4.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 8.343 7.042 -9.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.705 9.119 -5.600 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.756 8.929 -7.863 1.00 0.00 H new ATOM 1083 N GLU A 71 11.631 1.756 -4.638 1.00 0.00 N ATOM 1084 CA GLU A 71 11.377 0.391 -5.086 1.00 0.00 C ATOM 1085 C GLU A 71 10.163 -0.198 -4.373 1.00 0.00 C ATOM 1086 O GLU A 71 9.132 -0.458 -4.992 1.00 0.00 O ATOM 1087 CB GLU A 71 12.605 -0.487 -4.838 1.00 0.00 C ATOM 1088 CG GLU A 71 13.752 -0.214 -5.796 1.00 0.00 C ATOM 1089 CD GLU A 71 14.597 -1.445 -6.061 1.00 0.00 C ATOM 1090 OE1 GLU A 71 15.459 -1.765 -5.215 1.00 0.00 O ATOM 1091 OE2 GLU A 71 14.397 -2.088 -7.112 1.00 0.00 O ATOM 0 H GLU A 71 12.602 1.945 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 71 11.170 0.419 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.952 -0.332 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.315 -1.534 -4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.352 0.157 -6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.383 0.574 -5.386 1.00 0.00 H new ATOM 1098 N ASN A 72 10.296 -0.407 -3.067 1.00 0.00 N ATOM 1099 CA ASN A 72 9.211 -0.968 -2.269 1.00 0.00 C ATOM 1100 C ASN A 72 7.933 -0.152 -2.439 1.00 0.00 C ATOM 1101 O ASN A 72 6.884 -0.689 -2.797 1.00 0.00 O ATOM 1102 CB ASN A 72 9.608 -1.013 -0.792 1.00 0.00 C ATOM 1103 CG ASN A 72 10.733 -1.993 -0.525 1.00 0.00 C ATOM 1104 OD1 ASN A 72 10.795 -3.064 -1.130 1.00 0.00 O ATOM 1105 ND2 ASN A 72 11.630 -1.632 0.385 1.00 0.00 N ATOM 0 H ASN A 72 11.143 -0.197 -2.539 1.00 0.00 H new ATOM 0 HA ASN A 72 9.022 -1.983 -2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.913 -0.017 -0.470 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.740 -1.289 -0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.409 -2.252 0.607 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.540 -0.735 0.862 1.00 0.00 H new ATOM 1112 N LEU A 73 8.028 1.148 -2.181 1.00 0.00 N ATOM 1113 CA LEU A 73 6.880 2.039 -2.307 1.00 0.00 C ATOM 1114 C LEU A 73 6.233 1.903 -3.681 1.00 0.00 C ATOM 1115 O LEU A 73 5.051 2.202 -3.854 1.00 0.00 O ATOM 1116 CB LEU A 73 7.307 3.489 -2.072 1.00 0.00 C ATOM 1117 CG LEU A 73 7.414 3.929 -0.612 1.00 0.00 C ATOM 1118 CD1 LEU A 73 7.645 5.430 -0.522 1.00 0.00 C ATOM 1119 CD2 LEU A 73 6.162 3.534 0.158 1.00 0.00 C ATOM 0 H LEU A 73 8.888 1.608 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 73 6.147 1.756 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.275 3.643 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.595 4.143 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 73 8.268 3.423 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.719 5.725 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.570 5.687 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.812 5.955 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.256 3.855 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.292 4.012 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.040 2.451 0.123 1.00 0.00 H new ATOM 1131 N CYS A 74 7.014 1.449 -4.655 1.00 0.00 N ATOM 1132 CA CYS A 74 6.517 1.272 -6.014 1.00 0.00 C ATOM 1133 C CYS A 74 5.562 0.085 -6.094 1.00 0.00 C ATOM 1134 O CYS A 74 4.470 0.189 -6.653 1.00 0.00 O ATOM 1135 CB CYS A 74 7.682 1.070 -6.984 1.00 0.00 C ATOM 1136 SG CYS A 74 7.275 1.418 -8.711 1.00 0.00 S ATOM 0 H CYS A 74 7.994 1.197 -4.528 1.00 0.00 H new ATOM 0 HA CYS A 74 5.972 2.173 -6.295 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.509 1.712 -6.680 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.032 0.041 -6.905 1.00 0.00 H new ATOM 0 HG CYS A 74 8.324 1.220 -9.452 1.00 0.00 H new ATOM 1142 N THR A 75 5.982 -1.045 -5.533 1.00 0.00 N ATOM 1143 CA THR A 75 5.167 -2.252 -5.542 1.00 0.00 C ATOM 1144 C THR A 75 3.894 -2.063 -4.725 1.00 0.00 C ATOM 1145 O THR A 75 2.833 -2.574 -5.084 1.00 0.00 O ATOM 1146 CB THR A 75 5.945 -3.460 -4.987 1.00 0.00 C ATOM 1147 OG1 THR A 75 5.481 -4.667 -5.603 1.00 0.00 O ATOM 1148 CG2 THR A 75 5.784 -3.560 -3.478 1.00 0.00 C ATOM 0 H THR A 75 6.883 -1.148 -5.066 1.00 0.00 H new ATOM 0 HA THR A 75 4.903 -2.446 -6.581 1.00 0.00 H new ATOM 0 HB THR A 75 7.002 -3.320 -5.215 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.982 -5.430 -5.246 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.342 -4.420 -3.109 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.165 -2.652 -3.010 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.729 -3.679 -3.232 1.00 0.00 H new ATOM 1156 N ILE A 76 4.007 -1.326 -3.625 1.00 0.00 N ATOM 1157 CA ILE A 76 2.864 -1.068 -2.758 1.00 0.00 C ATOM 1158 C ILE A 76 1.880 -0.108 -3.418 1.00 0.00 C ATOM 1159 O ILE A 76 0.679 -0.152 -3.148 1.00 0.00 O ATOM 1160 CB ILE A 76 3.306 -0.483 -1.404 1.00 0.00 C ATOM 1161 CG1 ILE A 76 4.404 -1.348 -0.784 1.00 0.00 C ATOM 1162 CG2 ILE A 76 2.116 -0.372 -0.462 1.00 0.00 C ATOM 1163 CD1 ILE A 76 4.857 -0.867 0.577 1.00 0.00 C ATOM 0 H ILE A 76 4.878 -0.897 -3.313 1.00 0.00 H new ATOM 0 HA ILE A 76 2.374 -2.026 -2.587 1.00 0.00 H new ATOM 0 HB ILE A 76 3.708 0.516 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.042 -2.372 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.261 -1.369 -1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.444 0.043 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.363 0.281 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.688 -1.361 -0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.637 -1.528 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.250 0.146 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.011 -0.872 1.265 1.00 0.00 H new ATOM 1175 N ARG A 77 2.396 0.758 -4.283 1.00 0.00 N ATOM 1176 CA ARG A 77 1.563 1.729 -4.982 1.00 0.00 C ATOM 1177 C ARG A 77 0.655 1.037 -5.995 1.00 0.00 C ATOM 1178 O ARG A 77 -0.500 1.423 -6.173 1.00 0.00 O ATOM 1179 CB ARG A 77 2.436 2.767 -5.689 1.00 0.00 C ATOM 1180 CG ARG A 77 1.656 3.694 -6.608 1.00 0.00 C ATOM 1181 CD ARG A 77 0.694 4.575 -5.825 1.00 0.00 C ATOM 1182 NE ARG A 77 -0.395 5.072 -6.661 1.00 0.00 N ATOM 1183 CZ ARG A 77 -1.569 5.466 -6.180 1.00 0.00 C ATOM 1184 NH1 ARG A 77 -1.803 5.422 -4.875 1.00 0.00 N ATOM 1185 NH2 ARG A 77 -2.511 5.906 -7.004 1.00 0.00 N ATOM 0 H ARG A 77 3.388 0.807 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 77 0.938 2.232 -4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.955 3.364 -4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.200 2.251 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.350 4.320 -7.169 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.100 3.103 -7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.281 4.009 -4.990 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.239 5.418 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.246 5.119 -7.669 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.081 5.085 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.705 5.725 -4.508 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.334 5.942 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.412 6.208 -6.634 1.00 0.00 H new ATOM 1199 N ARG A 78 1.186 0.014 -6.656 1.00 0.00 N ATOM 1200 CA ARG A 78 0.425 -0.730 -7.652 1.00 0.00 C ATOM 1201 C ARG A 78 -0.692 -1.534 -6.993 1.00 0.00 C ATOM 1202 O ARG A 78 -1.755 -1.737 -7.581 1.00 0.00 O ATOM 1203 CB ARG A 78 1.348 -1.666 -8.435 1.00 0.00 C ATOM 1204 CG ARG A 78 2.100 -0.977 -9.562 1.00 0.00 C ATOM 1205 CD ARG A 78 3.438 -1.648 -9.830 1.00 0.00 C ATOM 1206 NE ARG A 78 4.034 -1.198 -11.085 1.00 0.00 N ATOM 1207 CZ ARG A 78 5.337 -1.246 -11.338 1.00 0.00 C ATOM 1208 NH1 ARG A 78 6.176 -1.721 -10.428 1.00 0.00 N ATOM 1209 NH2 ARG A 78 5.804 -0.818 -12.505 1.00 0.00 N ATOM 0 H ARG A 78 2.141 -0.319 -6.520 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.024 -0.014 -8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.068 -2.111 -7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.757 -2.482 -8.850 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.495 -0.994 -10.469 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.262 0.070 -9.306 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.121 -1.436 -9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.302 -2.729 -9.860 1.00 0.00 H new ATOM 0 HE ARG A 78 3.416 -0.827 -11.807 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.821 -2.051 -9.530 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.176 -1.756 -10.626 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.162 -0.452 -13.208 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.805 -0.855 -12.698 1.00 0.00 H new ATOM 1223 N PHE A 79 -0.444 -1.989 -5.770 1.00 0.00 N ATOM 1224 CA PHE A 79 -1.429 -2.772 -5.032 1.00 0.00 C ATOM 1225 C PHE A 79 -2.696 -1.960 -4.786 1.00 0.00 C ATOM 1226 O PHE A 79 -3.797 -2.383 -5.141 1.00 0.00 O ATOM 1227 CB PHE A 79 -0.843 -3.240 -3.698 1.00 0.00 C ATOM 1228 CG PHE A 79 -1.598 -4.382 -3.079 1.00 0.00 C ATOM 1229 CD1 PHE A 79 -2.913 -4.221 -2.675 1.00 0.00 C ATOM 1230 CD2 PHE A 79 -0.992 -5.615 -2.902 1.00 0.00 C ATOM 1231 CE1 PHE A 79 -3.610 -5.269 -2.104 1.00 0.00 C ATOM 1232 CE2 PHE A 79 -1.684 -6.668 -2.332 1.00 0.00 C ATOM 1233 CZ PHE A 79 -2.995 -6.495 -1.934 1.00 0.00 C ATOM 0 H PHE A 79 0.430 -1.829 -5.269 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.688 -3.643 -5.634 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.193 -3.541 -3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.832 -2.402 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.399 -3.266 -2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.033 -5.756 -3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.634 -5.130 -1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.200 -7.624 -2.198 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.539 -7.316 -1.491 1.00 0.00 H new ATOM 1243 N LEU A 80 -2.534 -0.791 -4.176 1.00 0.00 N ATOM 1244 CA LEU A 80 -3.665 0.082 -3.881 1.00 0.00 C ATOM 1245 C LEU A 80 -4.466 0.380 -5.144 1.00 0.00 C ATOM 1246 O LEU A 80 -5.687 0.522 -5.097 1.00 0.00 O ATOM 1247 CB LEU A 80 -3.175 1.388 -3.253 1.00 0.00 C ATOM 1248 CG LEU A 80 -2.206 1.247 -2.079 1.00 0.00 C ATOM 1249 CD1 LEU A 80 -1.618 2.599 -1.707 1.00 0.00 C ATOM 1250 CD2 LEU A 80 -2.906 0.620 -0.882 1.00 0.00 C ATOM 0 H LEU A 80 -1.630 -0.426 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.316 -0.432 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.690 1.981 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.043 1.953 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.391 0.590 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.931 2.479 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.080 3.010 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.421 3.279 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.201 0.527 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.741 1.251 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.278 -0.368 -1.154 1.00 0.00 H new ATOM 1262 N ASN A 81 -3.770 0.473 -6.272 1.00 0.00 N ATOM 1263 CA ASN A 81 -4.417 0.752 -7.549 1.00 0.00 C ATOM 1264 C ASN A 81 -5.480 -0.296 -7.861 1.00 0.00 C ATOM 1265 O ASN A 81 -6.343 -0.087 -8.715 1.00 0.00 O ATOM 1266 CB ASN A 81 -3.379 0.793 -8.672 1.00 0.00 C ATOM 1267 CG ASN A 81 -2.811 2.183 -8.885 1.00 0.00 C ATOM 1268 OD1 ASN A 81 -3.526 3.180 -8.785 1.00 0.00 O ATOM 1269 ND2 ASN A 81 -1.518 2.255 -9.181 1.00 0.00 N ATOM 0 H ASN A 81 -2.758 0.359 -6.328 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.903 1.725 -7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.567 0.104 -8.438 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.836 0.445 -9.598 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.080 3.163 -9.336 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.963 1.402 -9.254 1.00 0.00 H new ATOM 1276 N LEU A 82 -5.412 -1.425 -7.164 1.00 0.00 N ATOM 1277 CA LEU A 82 -6.369 -2.507 -7.366 1.00 0.00 C ATOM 1278 C LEU A 82 -7.725 -2.154 -6.763 1.00 0.00 C ATOM 1279 O LEU A 82 -7.828 -1.372 -5.818 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.843 -3.802 -6.744 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.539 -4.346 -7.327 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -4.042 -5.530 -6.512 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.731 -4.742 -8.784 1.00 0.00 C ATOM 0 H LEU A 82 -4.704 -1.615 -6.454 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.496 -2.652 -8.439 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.699 -3.636 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.611 -4.569 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.787 -3.559 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.113 -5.904 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.865 -5.215 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.792 -6.321 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.793 -5.127 -9.183 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.498 -5.513 -8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.040 -3.870 -9.360 1.00 0.00 H new ATOM 1295 N PRO A 83 -8.793 -2.745 -7.321 1.00 0.00 N ATOM 1296 CA PRO A 83 -10.162 -2.511 -6.853 1.00 0.00 C ATOM 1297 C PRO A 83 -10.418 -3.122 -5.479 1.00 0.00 C ATOM 1298 O PRO A 83 -9.853 -4.161 -5.138 1.00 0.00 O ATOM 1299 CB PRO A 83 -11.023 -3.200 -7.914 1.00 0.00 C ATOM 1300 CG PRO A 83 -10.139 -4.250 -8.495 1.00 0.00 C ATOM 1301 CD PRO A 83 -8.745 -3.689 -8.451 1.00 0.00 C ATOM 0 HA PRO A 83 -10.376 -1.449 -6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.920 -3.636 -7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.353 -2.494 -8.676 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.205 -5.176 -7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.433 -4.485 -9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.002 -4.470 -8.291 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.484 -3.187 -9.383 1.00 0.00 H new ATOM 1309 N GLN A 84 -11.273 -2.471 -4.697 1.00 0.00 N ATOM 1310 CA GLN A 84 -11.602 -2.952 -3.360 1.00 0.00 C ATOM 1311 C GLN A 84 -11.875 -4.453 -3.374 1.00 0.00 C ATOM 1312 O GLN A 84 -11.404 -5.187 -2.504 1.00 0.00 O ATOM 1313 CB GLN A 84 -12.820 -2.206 -2.813 1.00 0.00 C ATOM 1314 CG GLN A 84 -12.911 -2.221 -1.295 1.00 0.00 C ATOM 1315 CD GLN A 84 -11.585 -1.912 -0.628 1.00 0.00 C ATOM 1316 OE1 GLN A 84 -10.720 -2.780 -0.509 1.00 0.00 O ATOM 1317 NE2 GLN A 84 -11.418 -0.671 -0.188 1.00 0.00 N ATOM 0 H GLN A 84 -11.750 -1.610 -4.965 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.747 -2.762 -2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.787 -1.172 -3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.725 -2.651 -3.227 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.654 -1.492 -0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.260 -3.200 -0.965 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.162 0.017 -0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.546 -0.405 0.270 1.00 0.00 H new ATOM 1326 N HIS A 85 -12.638 -4.902 -4.365 1.00 0.00 N ATOM 1327 CA HIS A 85 -12.973 -6.316 -4.492 1.00 0.00 C ATOM 1328 C HIS A 85 -11.711 -7.162 -4.636 1.00 0.00 C ATOM 1329 O HIS A 85 -11.677 -8.318 -4.214 1.00 0.00 O ATOM 1330 CB HIS A 85 -13.891 -6.539 -5.694 1.00 0.00 C ATOM 1331 CG HIS A 85 -13.155 -6.852 -6.960 1.00 0.00 C ATOM 1332 ND1 HIS A 85 -12.898 -5.910 -7.934 1.00 0.00 N ATOM 1333 CD2 HIS A 85 -12.618 -8.011 -7.409 1.00 0.00 C ATOM 1334 CE1 HIS A 85 -12.237 -6.476 -8.927 1.00 0.00 C ATOM 1335 NE2 HIS A 85 -12.053 -7.751 -8.633 1.00 0.00 N ATOM 0 H HIS A 85 -13.036 -4.307 -5.092 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.494 -6.624 -3.585 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.576 -7.356 -5.470 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.498 -5.647 -5.847 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.632 -8.963 -6.899 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.903 -5.981 -9.827 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.570 -8.431 -9.220 1.00 0.00 H new ATOM 1344 N GLU A 86 -10.679 -6.579 -5.236 1.00 0.00 N ATOM 1345 CA GLU A 86 -9.417 -7.281 -5.438 1.00 0.00 C ATOM 1346 C GLU A 86 -8.621 -7.354 -4.138 1.00 0.00 C ATOM 1347 O GLU A 86 -8.430 -8.431 -3.574 1.00 0.00 O ATOM 1348 CB GLU A 86 -8.587 -6.585 -6.518 1.00 0.00 C ATOM 1349 CG GLU A 86 -8.835 -7.123 -7.917 1.00 0.00 C ATOM 1350 CD GLU A 86 -8.041 -8.382 -8.207 1.00 0.00 C ATOM 1351 OE1 GLU A 86 -7.640 -9.066 -7.242 1.00 0.00 O ATOM 1352 OE2 GLU A 86 -7.820 -8.684 -9.399 1.00 0.00 O ATOM 0 H GLU A 86 -10.692 -5.623 -5.591 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.644 -8.296 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.809 -5.518 -6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.529 -6.694 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.898 -7.332 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.575 -6.357 -8.648 1.00 0.00 H new ATOM 1359 N ARG A 87 -8.159 -6.199 -3.668 1.00 0.00 N ATOM 1360 CA ARG A 87 -7.383 -6.131 -2.436 1.00 0.00 C ATOM 1361 C ARG A 87 -7.985 -7.034 -1.364 1.00 0.00 C ATOM 1362 O ARG A 87 -7.265 -7.740 -0.657 1.00 0.00 O ATOM 1363 CB ARG A 87 -7.319 -4.690 -1.927 1.00 0.00 C ATOM 1364 CG ARG A 87 -7.157 -3.660 -3.034 1.00 0.00 C ATOM 1365 CD ARG A 87 -6.553 -2.367 -2.507 1.00 0.00 C ATOM 1366 NE ARG A 87 -7.008 -1.203 -3.262 1.00 0.00 N ATOM 1367 CZ ARG A 87 -8.143 -0.561 -3.009 1.00 0.00 C ATOM 1368 NH1 ARG A 87 -8.933 -0.967 -2.025 1.00 0.00 N ATOM 1369 NH2 ARG A 87 -8.489 0.491 -3.740 1.00 0.00 N ATOM 0 H ARG A 87 -8.309 -5.298 -4.122 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.373 -6.477 -2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.229 -4.470 -1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.486 -4.596 -1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.521 -4.066 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.128 -3.453 -3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.819 -2.244 -1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.466 -2.428 -2.556 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.422 -0.864 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.670 -1.774 -1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.804 -0.472 -1.833 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.883 0.807 -4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.361 0.983 -3.545 1.00 0.00 H new ATOM 1383 N ASP A 88 -9.307 -7.005 -1.247 1.00 0.00 N ATOM 1384 CA ASP A 88 -10.007 -7.821 -0.262 1.00 0.00 C ATOM 1385 C ASP A 88 -9.702 -9.302 -0.468 1.00 0.00 C ATOM 1386 O ASP A 88 -9.502 -10.045 0.493 1.00 0.00 O ATOM 1387 CB ASP A 88 -11.515 -7.581 -0.346 1.00 0.00 C ATOM 1388 CG ASP A 88 -12.207 -7.767 0.990 1.00 0.00 C ATOM 1389 OD1 ASP A 88 -11.912 -8.768 1.676 1.00 0.00 O ATOM 1390 OD2 ASP A 88 -13.042 -6.912 1.349 1.00 0.00 O ATOM 0 H ASP A 88 -9.917 -6.424 -1.823 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.657 -7.530 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.699 -6.570 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.949 -8.266 -1.075 1.00 0.00 H new ATOM 1395 N VAL A 89 -9.671 -9.724 -1.728 1.00 0.00 N ATOM 1396 CA VAL A 89 -9.391 -11.116 -2.060 1.00 0.00 C ATOM 1397 C VAL A 89 -7.987 -11.514 -1.622 1.00 0.00 C ATOM 1398 O VAL A 89 -7.793 -12.557 -0.996 1.00 0.00 O ATOM 1399 CB VAL A 89 -9.537 -11.372 -3.572 1.00 0.00 C ATOM 1400 CG1 VAL A 89 -9.263 -12.833 -3.896 1.00 0.00 C ATOM 1401 CG2 VAL A 89 -10.922 -10.962 -4.050 1.00 0.00 C ATOM 0 H VAL A 89 -9.836 -9.123 -2.535 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.121 -11.722 -1.524 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.801 -10.764 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.371 -12.994 -4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.248 -13.089 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.973 -13.464 -3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.008 -11.150 -5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.677 -11.541 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.075 -9.901 -3.854 1.00 0.00 H new ATOM 1411 N ILE A 90 -7.009 -10.677 -1.953 1.00 0.00 N ATOM 1412 CA ILE A 90 -5.622 -10.942 -1.592 1.00 0.00 C ATOM 1413 C ILE A 90 -5.476 -11.152 -0.089 1.00 0.00 C ATOM 1414 O ILE A 90 -4.861 -12.121 0.356 1.00 0.00 O ATOM 1415 CB ILE A 90 -4.697 -9.791 -2.031 1.00 0.00 C ATOM 1416 CG1 ILE A 90 -4.738 -9.626 -3.551 1.00 0.00 C ATOM 1417 CG2 ILE A 90 -3.274 -10.046 -1.557 1.00 0.00 C ATOM 1418 CD1 ILE A 90 -4.396 -8.228 -4.017 1.00 0.00 C ATOM 0 H ILE A 90 -7.152 -9.810 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.328 -11.853 -2.114 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.050 -8.866 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.041 -10.332 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.734 -9.886 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.632 -9.224 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.260 -10.118 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.909 -10.979 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.445 -8.185 -5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.107 -7.519 -3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.389 -7.971 -3.689 1.00 0.00 H new ATOM 1430 N TYR A 91 -6.047 -10.239 0.689 1.00 0.00 N ATOM 1431 CA TYR A 91 -5.981 -10.323 2.143 1.00 0.00 C ATOM 1432 C TYR A 91 -6.715 -11.560 2.651 1.00 0.00 C ATOM 1433 O TYR A 91 -6.203 -12.297 3.493 1.00 0.00 O ATOM 1434 CB TYR A 91 -6.578 -9.065 2.776 1.00 0.00 C ATOM 1435 CG TYR A 91 -5.940 -7.782 2.292 1.00 0.00 C ATOM 1436 CD1 TYR A 91 -4.583 -7.546 2.476 1.00 0.00 C ATOM 1437 CD2 TYR A 91 -6.694 -6.807 1.651 1.00 0.00 C ATOM 1438 CE1 TYR A 91 -3.997 -6.375 2.036 1.00 0.00 C ATOM 1439 CE2 TYR A 91 -6.116 -5.634 1.206 1.00 0.00 C ATOM 1440 CZ TYR A 91 -4.767 -5.422 1.402 1.00 0.00 C ATOM 1441 OH TYR A 91 -4.186 -4.255 0.961 1.00 0.00 O ATOM 0 H TYR A 91 -6.561 -9.432 0.337 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.932 -10.402 2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.646 -9.033 2.562 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.472 -9.128 3.859 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.977 -8.290 2.971 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.751 -6.969 1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.941 -6.206 2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.717 -4.887 0.708 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.928 -4.353 0.021 1.00 0.00 H new ATOM 1451 N GLU A 92 -7.919 -11.780 2.132 1.00 0.00 N ATOM 1452 CA GLU A 92 -8.725 -12.927 2.533 1.00 0.00 C ATOM 1453 C GLU A 92 -7.968 -14.232 2.301 1.00 0.00 C ATOM 1454 O GLU A 92 -7.785 -15.026 3.222 1.00 0.00 O ATOM 1455 CB GLU A 92 -10.045 -12.947 1.760 1.00 0.00 C ATOM 1456 CG GLU A 92 -11.077 -11.967 2.293 1.00 0.00 C ATOM 1457 CD GLU A 92 -11.850 -12.521 3.474 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -11.334 -12.446 4.609 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -12.972 -13.028 3.264 1.00 0.00 O ATOM 0 H GLU A 92 -8.357 -11.180 1.434 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.937 -12.834 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.847 -12.719 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.461 -13.954 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.578 -11.045 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.774 -11.709 1.496 1.00 0.00 H new ATOM 1466 N GLU A 93 -7.531 -14.444 1.064 1.00 0.00 N ATOM 1467 CA GLU A 93 -6.795 -15.652 0.711 1.00 0.00 C ATOM 1468 C GLU A 93 -5.521 -15.775 1.541 1.00 0.00 C ATOM 1469 O GLU A 93 -5.164 -16.864 1.990 1.00 0.00 O ATOM 1470 CB GLU A 93 -6.448 -15.647 -0.779 1.00 0.00 C ATOM 1471 CG GLU A 93 -7.664 -15.695 -1.688 1.00 0.00 C ATOM 1472 CD GLU A 93 -8.276 -17.080 -1.773 1.00 0.00 C ATOM 1473 OE1 GLU A 93 -7.616 -17.988 -2.320 1.00 0.00 O ATOM 1474 OE2 GLU A 93 -9.415 -17.255 -1.291 1.00 0.00 O ATOM 0 H GLU A 93 -7.674 -13.795 0.290 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.432 -16.510 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.871 -14.751 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.808 -16.502 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.413 -14.993 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.379 -15.366 -2.687 1.00 0.00 H new ATOM 1481 N GLU A 94 -4.840 -14.651 1.739 1.00 0.00 N ATOM 1482 CA GLU A 94 -3.604 -14.633 2.514 1.00 0.00 C ATOM 1483 C GLU A 94 -3.866 -15.029 3.964 1.00 0.00 C ATOM 1484 O GLU A 94 -3.404 -16.072 4.427 1.00 0.00 O ATOM 1485 CB GLU A 94 -2.962 -13.245 2.460 1.00 0.00 C ATOM 1486 CG GLU A 94 -1.694 -13.129 3.289 1.00 0.00 C ATOM 1487 CD GLU A 94 -0.592 -14.050 2.800 1.00 0.00 C ATOM 1488 OE1 GLU A 94 -0.028 -13.777 1.720 1.00 0.00 O ATOM 1489 OE2 GLU A 94 -0.294 -15.041 3.498 1.00 0.00 O ATOM 0 H GLU A 94 -5.123 -13.741 1.374 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.919 -15.359 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.732 -13.000 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.683 -12.506 2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.340 -12.098 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.922 -13.361 4.329 1.00 0.00 H new