USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 578 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 30 CYS SG : rot 180:sc= 0.328 USER MOD Set 1.2: A 34 SER OG : rot -143:sc= 0.344 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.232 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -6.68! C(o=-6.7!,f=-8!) USER MOD Single : A 38 ASN : amide:sc=-0.00479 K(o=-0.0048,f=-1.2) USER MOD Single : A 40 GLN : amide:sc= -0.929 K(o=-0.93,f=-2.2) USER MOD Single : A 56 SER OG : rot 118:sc= 1.09 USER MOD Single : A 57 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.69) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc=-0.00403 USER MOD Single : A 63 HIS :FLIP no HE2:sc= -1.81 F(o=-3.4!,f=-1.8) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 34:sc= 0.0136 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0423) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.657 4.617 -4.467 1.00 0.00 N ATOM 125 CA TYR A 11 11.276 4.679 -3.066 1.00 0.00 C ATOM 126 C TYR A 11 10.444 5.931 -2.780 1.00 0.00 C ATOM 127 O TYR A 11 10.306 6.800 -3.639 1.00 0.00 O ATOM 128 CB TYR A 11 12.584 4.759 -2.277 1.00 0.00 C ATOM 129 CG TYR A 11 13.450 3.502 -2.380 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.873 2.254 -2.261 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.809 3.617 -2.593 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.689 1.072 -2.358 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.625 2.434 -2.691 1.00 0.00 C ATOM 134 CZ TYR A 11 15.025 1.220 -2.568 1.00 0.00 C ATOM 135 OH TYR A 11 15.795 0.103 -2.660 1.00 0.00 O ATOM 0 HA TYR A 11 10.675 3.812 -2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.159 5.614 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.353 4.944 -1.228 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.810 2.164 -2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.260 4.594 -2.686 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.250 0.089 -2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.689 2.510 -2.858 1.00 0.00 H new ATOM 0 HH TYR A 11 16.728 0.361 -2.812 1.00 0.00 H new ATOM 145 N LYS A 12 9.911 5.983 -1.568 1.00 0.00 N ATOM 146 CA LYS A 12 9.096 7.114 -1.157 1.00 0.00 C ATOM 147 C LYS A 12 8.188 7.531 -2.315 1.00 0.00 C ATOM 148 O LYS A 12 8.304 8.641 -2.832 1.00 0.00 O ATOM 149 CB LYS A 12 9.979 8.247 -0.629 1.00 0.00 C ATOM 150 CG LYS A 12 10.544 7.906 0.751 1.00 0.00 C ATOM 151 CD LYS A 12 10.232 9.013 1.760 1.00 0.00 C ATOM 152 CE LYS A 12 11.014 10.287 1.435 1.00 0.00 C ATOM 153 NZ LYS A 12 12.186 10.418 2.330 1.00 0.00 N ATOM 0 H LYS A 12 10.028 5.260 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 12 8.447 6.834 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.797 8.430 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.399 9.168 -0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.121 6.963 1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.623 7.766 0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.163 9.226 1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.482 8.675 2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.343 10.264 0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.366 11.157 1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.706 11.288 2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.865 10.462 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.812 9.597 2.205 1.00 0.00 H new ATOM 167 N GLN A 13 7.303 6.618 -2.689 1.00 0.00 N ATOM 168 CA GLN A 13 6.376 6.877 -3.777 1.00 0.00 C ATOM 169 C GLN A 13 5.048 6.159 -3.525 1.00 0.00 C ATOM 170 O GLN A 13 5.024 4.949 -3.305 1.00 0.00 O ATOM 171 CB GLN A 13 6.977 6.460 -5.121 1.00 0.00 C ATOM 172 CG GLN A 13 5.911 6.449 -6.219 1.00 0.00 C ATOM 173 CD GLN A 13 6.539 6.189 -7.590 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.746 6.118 -7.745 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.653 6.053 -8.573 1.00 0.00 N ATOM 0 H GLN A 13 7.209 5.698 -2.258 1.00 0.00 H new ATOM 0 HA GLN A 13 6.186 7.949 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.778 7.147 -5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.423 5.469 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.169 5.680 -6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.386 7.404 -6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.655 6.124 -8.374 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.972 5.878 -9.526 1.00 0.00 H new ATOM 184 N ILE A 14 3.976 6.936 -3.564 1.00 0.00 N ATOM 185 CA ILE A 14 2.647 6.390 -3.342 1.00 0.00 C ATOM 186 C ILE A 14 2.181 5.665 -4.606 1.00 0.00 C ATOM 187 O ILE A 14 2.153 6.250 -5.687 1.00 0.00 O ATOM 188 CB ILE A 14 1.689 7.487 -2.874 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.327 8.341 -1.776 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.350 6.893 -2.433 1.00 0.00 C ATOM 191 CD1 ILE A 14 2.157 7.686 -0.404 1.00 0.00 C ATOM 0 H ILE A 14 4.000 7.939 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 14 2.667 5.652 -2.540 1.00 0.00 H new ATOM 0 HB ILE A 14 1.487 8.147 -3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.387 8.480 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.871 9.331 -1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.313 7.694 -2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.106 6.364 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.514 6.198 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.619 8.313 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.095 7.571 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.635 6.706 -0.407 1.00 0.00 H new ATOM 203 N VAL A 15 1.827 4.400 -4.427 1.00 0.00 N ATOM 204 CA VAL A 15 1.364 3.589 -5.540 1.00 0.00 C ATOM 205 C VAL A 15 0.279 2.629 -5.048 1.00 0.00 C ATOM 206 O VAL A 15 0.106 2.446 -3.844 1.00 0.00 O ATOM 207 CB VAL A 15 2.547 2.870 -6.192 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.230 3.767 -7.226 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.546 2.390 -5.137 1.00 0.00 C ATOM 0 H VAL A 15 1.852 3.918 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 15 0.918 4.217 -6.311 1.00 0.00 H new ATOM 0 HB VAL A 15 2.162 1.993 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.067 3.233 -7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.514 4.038 -8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.596 4.671 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.377 1.882 -5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.923 3.246 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.051 1.699 -4.454 1.00 0.00 H new ATOM 219 N TRP A 16 -0.424 2.040 -6.004 1.00 0.00 N ATOM 220 CA TRP A 16 -1.487 1.103 -5.683 1.00 0.00 C ATOM 221 C TRP A 16 -0.888 -0.304 -5.664 1.00 0.00 C ATOM 222 O TRP A 16 0.143 -0.553 -6.289 1.00 0.00 O ATOM 223 CB TRP A 16 -2.654 1.242 -6.663 1.00 0.00 C ATOM 224 CG TRP A 16 -3.409 2.568 -6.547 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.235 3.682 -7.271 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.471 2.875 -5.619 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.104 4.681 -6.879 1.00 0.00 N ATOM 228 CE2 TRP A 16 -4.879 4.174 -5.842 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.067 2.081 -4.623 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -5.899 4.794 -5.110 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.084 2.715 -3.901 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.507 4.022 -4.113 1.00 0.00 C ATOM 0 H TRP A 16 -0.278 2.194 -7.002 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.905 1.317 -4.699 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.275 1.139 -7.680 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.353 0.422 -6.498 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.507 3.786 -8.062 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.166 5.618 -7.277 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.764 1.062 -4.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.200 5.813 -5.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.575 2.149 -3.124 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.301 4.440 -3.512 1.00 0.00 H new ATOM 243 N VAL A 17 -1.558 -1.189 -4.941 1.00 0.00 N ATOM 244 CA VAL A 17 -1.104 -2.565 -4.832 1.00 0.00 C ATOM 245 C VAL A 17 -2.154 -3.494 -5.447 1.00 0.00 C ATOM 246 O VAL A 17 -3.352 -3.237 -5.343 1.00 0.00 O ATOM 247 CB VAL A 17 -0.792 -2.899 -3.372 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.075 -2.987 -2.543 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.018 -4.193 -3.267 1.00 0.00 C ATOM 0 H VAL A 17 -2.412 -0.980 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.178 -2.707 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.186 -2.090 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.825 -3.226 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.597 -2.031 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.718 -3.767 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.226 -4.408 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.552 -5.015 -3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.957 -4.079 -3.808 1.00 0.00 H new ATOM 259 N LYS A 18 -1.665 -4.553 -6.074 1.00 0.00 N ATOM 260 CA LYS A 18 -2.546 -5.521 -6.705 1.00 0.00 C ATOM 261 C LYS A 18 -2.762 -6.702 -5.757 1.00 0.00 C ATOM 262 O LYS A 18 -1.805 -7.353 -5.342 1.00 0.00 O ATOM 263 CB LYS A 18 -2.002 -5.926 -8.077 1.00 0.00 C ATOM 264 CG LYS A 18 -2.935 -6.926 -8.764 1.00 0.00 C ATOM 265 CD LYS A 18 -3.104 -6.589 -10.246 1.00 0.00 C ATOM 266 CE LYS A 18 -1.962 -7.179 -11.076 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.492 -8.104 -12.103 1.00 0.00 N ATOM 0 H LYS A 18 -0.670 -4.762 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.525 -5.079 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.888 -5.041 -8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.011 -6.366 -7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.533 -7.934 -8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.908 -6.918 -8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.057 -6.977 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.131 -5.507 -10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.401 -6.377 -11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.267 -7.709 -10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.704 -8.496 -12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.008 -8.879 -11.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.137 -7.588 -12.735 1.00 0.00 H new ATOM 366 N TRP A 24 -8.111 -2.946 -5.098 1.00 0.00 N ATOM 367 CA TRP A 24 -6.735 -2.505 -4.938 1.00 0.00 C ATOM 368 C TRP A 24 -6.607 -1.844 -3.564 1.00 0.00 C ATOM 369 O TRP A 24 -7.610 -1.500 -2.941 1.00 0.00 O ATOM 370 CB TRP A 24 -6.318 -1.584 -6.086 1.00 0.00 C ATOM 371 CG TRP A 24 -6.541 -2.181 -7.477 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.686 -2.634 -8.007 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.541 -2.375 -8.500 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.498 -3.103 -9.291 1.00 0.00 N ATOM 375 CE2 TRP A 24 -6.152 -2.940 -9.600 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.166 -2.081 -8.495 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -5.466 -3.261 -10.778 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.495 -2.408 -9.679 1.00 0.00 C ATOM 379 CH2 TRP A 24 -4.095 -2.977 -10.796 1.00 0.00 C ATOM 0 HA TRP A 24 -6.051 -3.352 -4.981 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.875 -0.650 -6.009 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.263 -1.336 -5.974 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.636 -2.632 -7.494 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -8.214 -3.497 -9.901 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.667 -1.638 -7.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.967 -3.703 -11.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.436 -2.204 -9.728 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.506 -3.199 -11.674 1.00 0.00 H new ATOM 390 N TRP A 25 -5.364 -1.688 -3.132 1.00 0.00 N ATOM 391 CA TRP A 25 -5.092 -1.074 -1.843 1.00 0.00 C ATOM 392 C TRP A 25 -3.935 -0.090 -2.023 1.00 0.00 C ATOM 393 O TRP A 25 -2.999 -0.357 -2.776 1.00 0.00 O ATOM 394 CB TRP A 25 -4.813 -2.137 -0.779 1.00 0.00 C ATOM 395 CG TRP A 25 -4.839 -1.603 0.655 1.00 0.00 C ATOM 396 CD1 TRP A 25 -3.840 -1.028 1.340 1.00 0.00 C ATOM 397 CD2 TRP A 25 -5.965 -1.618 1.558 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.239 -0.673 2.612 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.572 -1.043 2.749 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.272 -2.101 1.373 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.426 -0.898 3.849 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.114 -1.949 2.482 1.00 0.00 C ATOM 403 CH2 TRP A 25 -7.733 -1.372 3.688 1.00 0.00 C ATOM 0 H TRP A 25 -4.535 -1.976 -3.651 1.00 0.00 H new ATOM 0 HA TRP A 25 -5.963 -0.525 -1.485 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.552 -2.933 -0.873 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -3.837 -2.583 -0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -2.848 -0.864 0.946 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.662 -0.222 3.322 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.601 -2.553 0.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.094 -0.445 4.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.130 -2.305 2.394 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.443 -1.290 4.498 1.00 0.00 H new ATOM 414 N PRO A 26 -4.039 1.058 -1.302 1.00 0.00 N ATOM 415 CA PRO A 26 -3.013 2.084 -1.374 1.00 0.00 C ATOM 416 C PRO A 26 -1.764 1.667 -0.595 1.00 0.00 C ATOM 417 O PRO A 26 -1.867 1.043 0.461 1.00 0.00 O ATOM 418 CB PRO A 26 -3.669 3.337 -0.818 1.00 0.00 C ATOM 419 CG PRO A 26 -4.877 2.860 -0.028 1.00 0.00 C ATOM 420 CD PRO A 26 -5.133 1.408 -0.400 1.00 0.00 C ATOM 0 HA PRO A 26 -2.659 2.254 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.979 3.889 -0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.969 4.010 -1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.694 2.953 1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.749 3.472 -0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.139 0.768 0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.101 1.289 -0.887 1.00 0.00 H new ATOM 428 N ALA A 27 -0.614 2.027 -1.145 1.00 0.00 N ATOM 429 CA ALA A 27 0.653 1.698 -0.514 1.00 0.00 C ATOM 430 C ALA A 27 1.745 2.617 -1.065 1.00 0.00 C ATOM 431 O ALA A 27 1.583 3.211 -2.129 1.00 0.00 O ATOM 432 CB ALA A 27 0.966 0.218 -0.741 1.00 0.00 C ATOM 0 H ALA A 27 -0.533 2.543 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 27 0.600 1.858 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.916 -0.030 -0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.174 -0.392 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.031 0.020 -1.811 1.00 0.00 H new ATOM 438 N GLU A 28 2.834 2.704 -0.315 1.00 0.00 N ATOM 439 CA GLU A 28 3.953 3.540 -0.714 1.00 0.00 C ATOM 440 C GLU A 28 5.254 2.735 -0.686 1.00 0.00 C ATOM 441 O GLU A 28 5.555 2.070 0.304 1.00 0.00 O ATOM 442 CB GLU A 28 4.056 4.780 0.175 1.00 0.00 C ATOM 443 CG GLU A 28 5.474 5.356 0.152 1.00 0.00 C ATOM 444 CD GLU A 28 6.250 4.952 1.408 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.855 5.425 2.495 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.220 4.180 1.251 1.00 0.00 O ATOM 0 H GLU A 28 2.965 2.209 0.567 1.00 0.00 H new ATOM 0 HA GLU A 28 3.781 3.880 -1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.347 5.535 -0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.781 4.522 1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.000 5.002 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.428 6.443 0.082 1.00 0.00 H new ATOM 453 N ILE A 29 5.991 2.822 -1.784 1.00 0.00 N ATOM 454 CA ILE A 29 7.252 2.110 -1.897 1.00 0.00 C ATOM 455 C ILE A 29 8.230 2.644 -0.849 1.00 0.00 C ATOM 456 O ILE A 29 8.463 3.849 -0.769 1.00 0.00 O ATOM 457 CB ILE A 29 7.784 2.187 -3.330 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.816 1.521 -4.310 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.192 1.596 -3.424 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.243 1.772 -5.758 1.00 0.00 C ATOM 0 H ILE A 29 5.739 3.375 -2.603 1.00 0.00 H new ATOM 0 HA ILE A 29 7.110 1.049 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 29 7.856 3.237 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.779 0.449 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.809 1.908 -4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.547 1.663 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.865 2.152 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.169 0.551 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.538 1.288 -6.434 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.255 2.844 -5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.240 1.363 -5.919 1.00 0.00 H new ATOM 472 N CYS A 30 8.776 1.721 -0.070 1.00 0.00 N ATOM 473 CA CYS A 30 9.723 2.084 0.970 1.00 0.00 C ATOM 474 C CYS A 30 11.095 1.527 0.585 1.00 0.00 C ATOM 475 O CYS A 30 11.225 0.823 -0.414 1.00 0.00 O ATOM 476 CB CYS A 30 9.271 1.589 2.345 1.00 0.00 C ATOM 477 SG CYS A 30 9.606 2.866 3.612 1.00 0.00 S ATOM 0 H CYS A 30 8.580 0.722 -0.139 1.00 0.00 H new ATOM 0 HA CYS A 30 9.782 3.170 1.050 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.206 1.356 2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.794 0.667 2.599 1.00 0.00 H new ATOM 0 HG CYS A 30 9.216 2.436 4.775 1.00 0.00 H new ATOM 483 N ASN A 31 12.085 1.865 1.399 1.00 0.00 N ATOM 484 CA ASN A 31 13.442 1.407 1.157 1.00 0.00 C ATOM 485 C ASN A 31 13.721 0.173 2.017 1.00 0.00 C ATOM 486 O ASN A 31 13.063 -0.041 3.034 1.00 0.00 O ATOM 487 CB ASN A 31 14.462 2.485 1.531 1.00 0.00 C ATOM 488 CG ASN A 31 14.255 3.750 0.696 1.00 0.00 C ATOM 489 OD1 ASN A 31 13.205 4.372 0.714 1.00 0.00 O ATOM 490 ND2 ASN A 31 15.310 4.094 -0.036 1.00 0.00 N ATOM 0 H ASN A 31 11.974 2.451 2.227 1.00 0.00 H new ATOM 0 HA ASN A 31 13.535 1.175 0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.370 2.725 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.472 2.104 1.377 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.271 4.923 -0.629 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.159 3.529 -0.005 1.00 0.00 H new ATOM 497 N PRO A 32 14.724 -0.627 1.566 1.00 0.00 N ATOM 498 CA PRO A 32 15.098 -1.834 2.283 1.00 0.00 C ATOM 499 C PRO A 32 15.890 -1.497 3.548 1.00 0.00 C ATOM 500 O PRO A 32 16.000 -2.322 4.454 1.00 0.00 O ATOM 501 CB PRO A 32 15.897 -2.654 1.283 1.00 0.00 C ATOM 502 CG PRO A 32 16.336 -1.680 0.202 1.00 0.00 C ATOM 503 CD PRO A 32 15.525 -0.405 0.366 1.00 0.00 C ATOM 0 HA PRO A 32 14.235 -2.396 2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.758 -3.122 1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.291 -3.457 0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.402 -1.468 0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.176 -2.110 -0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.173 0.465 0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.893 -0.223 -0.504 1.00 0.00 H new ATOM 511 N ARG A 33 16.420 -0.283 3.570 1.00 0.00 N ATOM 512 CA ARG A 33 17.198 0.173 4.709 1.00 0.00 C ATOM 513 C ARG A 33 16.280 0.786 5.768 1.00 0.00 C ATOM 514 O ARG A 33 16.663 0.910 6.931 1.00 0.00 O ATOM 515 CB ARG A 33 18.240 1.211 4.285 1.00 0.00 C ATOM 516 CG ARG A 33 19.236 0.613 3.290 1.00 0.00 C ATOM 517 CD ARG A 33 20.314 -0.197 4.013 1.00 0.00 C ATOM 518 NE ARG A 33 21.596 -0.102 3.279 1.00 0.00 N ATOM 519 CZ ARG A 33 22.780 -0.474 3.783 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.853 -0.968 5.027 1.00 0.00 N ATOM 521 NH2 ARG A 33 23.891 -0.352 3.045 1.00 0.00 N ATOM 0 H ARG A 33 16.326 0.399 2.817 1.00 0.00 H new ATOM 0 HA ARG A 33 17.713 -0.693 5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.741 2.069 3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.773 1.577 5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.709 -0.027 2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.702 1.411 2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.439 0.175 5.030 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.006 -1.240 4.091 1.00 0.00 H new ATOM 0 HE ARG A 33 21.577 0.270 2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 33 22.007 -1.061 5.589 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.754 -1.251 5.411 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.836 0.024 2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.792 -0.635 3.429 1.00 0.00 H new ATOM 535 N SER A 34 15.085 1.153 5.329 1.00 0.00 N ATOM 536 CA SER A 34 14.109 1.750 6.224 1.00 0.00 C ATOM 537 C SER A 34 13.363 0.655 6.990 1.00 0.00 C ATOM 538 O SER A 34 13.497 0.543 8.207 1.00 0.00 O ATOM 539 CB SER A 34 13.120 2.628 5.455 1.00 0.00 C ATOM 540 OG SER A 34 11.914 2.838 6.184 1.00 0.00 O ATOM 0 H SER A 34 14.771 1.048 4.364 1.00 0.00 H new ATOM 0 HA SER A 34 14.640 2.384 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.583 3.590 5.236 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.888 2.161 4.498 1.00 0.00 H new ATOM 0 HG SER A 34 11.155 2.854 5.564 1.00 0.00 H new ATOM 546 N VAL A 35 12.594 -0.124 6.244 1.00 0.00 N ATOM 547 CA VAL A 35 11.826 -1.206 6.837 1.00 0.00 C ATOM 548 C VAL A 35 12.675 -1.903 7.903 1.00 0.00 C ATOM 549 O VAL A 35 13.902 -1.821 7.876 1.00 0.00 O ATOM 550 CB VAL A 35 11.336 -2.160 5.746 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.574 -1.402 4.657 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.500 -2.954 5.149 1.00 0.00 C ATOM 0 H VAL A 35 12.486 -0.028 5.234 1.00 0.00 H new ATOM 0 HA VAL A 35 10.937 -0.816 7.332 1.00 0.00 H new ATOM 0 HB VAL A 35 10.647 -2.869 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.237 -2.103 3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.711 -0.902 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.231 -0.660 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.124 -3.625 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.224 -2.266 4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.982 -3.538 5.933 1.00 0.00 H new ATOM 562 N PRO A 36 11.969 -2.589 8.841 1.00 0.00 N ATOM 563 CA PRO A 36 12.644 -3.300 9.914 1.00 0.00 C ATOM 564 C PRO A 36 13.283 -4.591 9.400 1.00 0.00 C ATOM 565 O PRO A 36 12.815 -5.173 8.422 1.00 0.00 O ATOM 566 CB PRO A 36 11.569 -3.545 10.961 1.00 0.00 C ATOM 567 CG PRO A 36 10.241 -3.379 10.241 1.00 0.00 C ATOM 568 CD PRO A 36 10.515 -2.707 8.905 1.00 0.00 C ATOM 0 HA PRO A 36 13.473 -2.733 10.338 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.660 -4.544 11.388 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.658 -2.837 11.785 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.765 -4.348 10.090 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.556 -2.777 10.838 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.129 -3.301 8.076 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.035 -1.730 8.847 1.00 0.00 H new ATOM 576 N LEU A 37 14.343 -5.001 10.081 1.00 0.00 N ATOM 577 CA LEU A 37 15.051 -6.213 9.705 1.00 0.00 C ATOM 578 C LEU A 37 14.041 -7.341 9.483 1.00 0.00 C ATOM 579 O LEU A 37 14.248 -8.206 8.634 1.00 0.00 O ATOM 580 CB LEU A 37 16.128 -6.547 10.739 1.00 0.00 C ATOM 581 CG LEU A 37 17.556 -6.132 10.379 1.00 0.00 C ATOM 582 CD1 LEU A 37 18.027 -6.837 9.105 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.673 -4.611 10.268 1.00 0.00 C ATOM 0 H LEU A 37 14.729 -4.515 10.891 1.00 0.00 H new ATOM 0 HA LEU A 37 15.580 -6.068 8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.859 -6.070 11.681 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.116 -7.623 10.912 1.00 0.00 H new ATOM 0 HG LEU A 37 18.217 -6.448 11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.045 -6.525 8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 37 18.005 -7.916 9.257 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.368 -6.573 8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.698 -4.343 10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.998 -4.250 9.492 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.407 -4.155 11.222 1.00 0.00 H new ATOM 595 N ASN A 38 12.969 -7.294 10.261 1.00 0.00 N ATOM 596 CA ASN A 38 11.927 -8.301 10.159 1.00 0.00 C ATOM 597 C ASN A 38 11.558 -8.501 8.688 1.00 0.00 C ATOM 598 O ASN A 38 11.454 -9.633 8.219 1.00 0.00 O ATOM 599 CB ASN A 38 10.666 -7.865 10.908 1.00 0.00 C ATOM 600 CG ASN A 38 9.735 -9.054 11.153 1.00 0.00 C ATOM 601 OD1 ASN A 38 10.007 -10.179 10.767 1.00 0.00 O ATOM 602 ND2 ASN A 38 8.623 -8.744 11.814 1.00 0.00 N ATOM 0 H ASN A 38 12.800 -6.575 10.964 1.00 0.00 H new ATOM 0 HA ASN A 38 12.306 -9.224 10.597 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.943 -7.413 11.860 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.143 -7.101 10.333 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.937 -9.468 12.026 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.456 -7.782 12.109 1.00 0.00 H new ATOM 609 N ILE A 39 11.370 -7.384 8.001 1.00 0.00 N ATOM 610 CA ILE A 39 11.015 -7.422 6.592 1.00 0.00 C ATOM 611 C ILE A 39 12.251 -7.791 5.769 1.00 0.00 C ATOM 612 O ILE A 39 12.204 -8.707 4.950 1.00 0.00 O ATOM 613 CB ILE A 39 10.365 -6.104 6.168 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.357 -5.627 7.215 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.734 -6.226 4.779 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.393 -6.751 7.600 1.00 0.00 C ATOM 0 H ILE A 39 11.457 -6.447 8.394 1.00 0.00 H new ATOM 0 HA ILE A 39 10.267 -8.193 6.408 1.00 0.00 H new ATOM 0 HB ILE A 39 11.144 -5.345 6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.886 -5.277 8.101 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.795 -4.779 6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.279 -5.275 4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.503 -6.486 4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.970 -7.003 4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.687 -6.385 8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.848 -7.082 6.716 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.956 -7.588 8.013 1.00 0.00 H new ATOM 628 N GLN A 40 13.327 -7.059 6.016 1.00 0.00 N ATOM 629 CA GLN A 40 14.573 -7.298 5.308 1.00 0.00 C ATOM 630 C GLN A 40 14.913 -8.790 5.321 1.00 0.00 C ATOM 631 O GLN A 40 15.502 -9.304 4.371 1.00 0.00 O ATOM 632 CB GLN A 40 15.712 -6.471 5.908 1.00 0.00 C ATOM 633 CG GLN A 40 15.394 -4.976 5.849 1.00 0.00 C ATOM 634 CD GLN A 40 16.574 -4.144 6.355 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.730 -4.442 6.103 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.220 -3.087 7.079 1.00 0.00 N ATOM 0 H GLN A 40 13.362 -6.300 6.697 1.00 0.00 H new ATOM 0 HA GLN A 40 14.446 -6.983 4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.878 -6.771 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.636 -6.671 5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.157 -4.691 4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.510 -4.764 6.451 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.233 -2.895 7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.935 -2.468 7.461 1.00 0.00 H new ATOM 645 N GLY A 41 14.528 -9.443 6.407 1.00 0.00 N ATOM 646 CA GLY A 41 14.784 -10.866 6.556 1.00 0.00 C ATOM 647 C GLY A 41 14.089 -11.666 5.454 1.00 0.00 C ATOM 648 O GLY A 41 14.488 -12.790 5.151 1.00 0.00 O ATOM 0 H GLY A 41 14.040 -9.013 7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.858 -11.051 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.432 -11.202 7.531 1.00 0.00 H new ATOM 652 N LEU A 42 13.060 -11.057 4.883 1.00 0.00 N ATOM 653 CA LEU A 42 12.306 -11.699 3.820 1.00 0.00 C ATOM 654 C LEU A 42 13.193 -11.836 2.581 1.00 0.00 C ATOM 655 O LEU A 42 13.913 -10.905 2.223 1.00 0.00 O ATOM 656 CB LEU A 42 10.999 -10.946 3.560 1.00 0.00 C ATOM 657 CG LEU A 42 10.162 -10.609 4.796 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.227 -9.430 4.520 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.402 -11.839 5.296 1.00 0.00 C ATOM 0 H LEU A 42 12.731 -10.126 5.137 1.00 0.00 H new ATOM 0 HA LEU A 42 12.014 -12.707 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.235 -10.017 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.387 -11.543 2.883 1.00 0.00 H new ATOM 0 HG LEU A 42 10.839 -10.303 5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.644 -9.211 5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.816 -8.554 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.554 -9.683 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.815 -11.572 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.737 -12.199 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.112 -12.623 5.558 1.00 0.00 H new ATOM 748 N ASP A 48 11.126 -6.916 -6.882 1.00 0.00 N ATOM 749 CA ASP A 48 10.245 -6.631 -5.762 1.00 0.00 C ATOM 750 C ASP A 48 10.994 -5.784 -4.731 1.00 0.00 C ATOM 751 O ASP A 48 12.157 -6.051 -4.431 1.00 0.00 O ATOM 752 CB ASP A 48 9.793 -7.921 -5.075 1.00 0.00 C ATOM 753 CG ASP A 48 9.612 -9.121 -6.007 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.585 -9.431 -6.728 1.00 0.00 O ATOM 755 OD2 ASP A 48 8.505 -9.701 -5.977 1.00 0.00 O ATOM 0 HA ASP A 48 9.373 -6.102 -6.146 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.523 -8.182 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.849 -7.731 -4.564 1.00 0.00 H new ATOM 760 N PHE A 49 10.298 -4.781 -4.218 1.00 0.00 N ATOM 761 CA PHE A 49 10.883 -3.893 -3.227 1.00 0.00 C ATOM 762 C PHE A 49 10.007 -3.816 -1.975 1.00 0.00 C ATOM 763 O PHE A 49 8.847 -4.222 -1.999 1.00 0.00 O ATOM 764 CB PHE A 49 10.966 -2.505 -3.864 1.00 0.00 C ATOM 765 CG PHE A 49 9.848 -2.213 -4.868 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.597 -1.918 -4.425 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.107 -2.247 -6.202 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.559 -1.647 -5.356 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.069 -1.975 -7.134 1.00 0.00 C ATOM 770 CZ PHE A 49 7.818 -1.681 -6.690 1.00 0.00 C ATOM 0 H PHE A 49 9.334 -4.563 -4.470 1.00 0.00 H new ATOM 0 HA PHE A 49 11.864 -4.263 -2.929 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.938 -1.753 -3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.928 -2.404 -4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.392 -1.890 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.101 -2.481 -6.554 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.565 -1.414 -5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.274 -2.002 -8.194 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.029 -1.474 -7.398 1.00 0.00 H new ATOM 780 N PRO A 50 10.612 -3.276 -0.883 1.00 0.00 N ATOM 781 CA PRO A 50 9.900 -3.140 0.376 1.00 0.00 C ATOM 782 C PRO A 50 8.898 -1.984 0.317 1.00 0.00 C ATOM 783 O PRO A 50 9.273 -0.848 0.033 1.00 0.00 O ATOM 784 CB PRO A 50 10.984 -2.933 1.421 1.00 0.00 C ATOM 785 CG PRO A 50 12.223 -2.498 0.655 1.00 0.00 C ATOM 786 CD PRO A 50 11.985 -2.784 -0.818 1.00 0.00 C ATOM 0 HA PRO A 50 9.297 -4.016 0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.687 -2.176 2.147 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.171 -3.852 1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.415 -1.437 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.101 -3.037 1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.113 -1.885 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.689 -3.525 -1.196 1.00 0.00 H new ATOM 794 N VAL A 51 7.645 -2.315 0.590 1.00 0.00 N ATOM 795 CA VAL A 51 6.587 -1.320 0.572 1.00 0.00 C ATOM 796 C VAL A 51 5.782 -1.413 1.869 1.00 0.00 C ATOM 797 O VAL A 51 5.947 -2.358 2.640 1.00 0.00 O ATOM 798 CB VAL A 51 5.725 -1.495 -0.680 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.572 -1.379 -1.949 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.969 -2.825 -0.644 1.00 0.00 C ATOM 0 H VAL A 51 7.338 -3.259 0.825 1.00 0.00 H new ATOM 0 HA VAL A 51 7.009 -0.316 0.523 1.00 0.00 H new ATOM 0 HB VAL A 51 4.988 -0.692 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.935 -1.507 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.043 -0.397 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.342 -2.151 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.364 -2.924 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.682 -3.648 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.321 -2.852 0.232 1.00 0.00 H new ATOM 810 N PHE A 52 4.929 -0.420 2.072 1.00 0.00 N ATOM 811 CA PHE A 52 4.098 -0.378 3.263 1.00 0.00 C ATOM 812 C PHE A 52 2.621 -0.218 2.896 1.00 0.00 C ATOM 813 O PHE A 52 2.245 0.741 2.224 1.00 0.00 O ATOM 814 CB PHE A 52 4.544 0.838 4.077 1.00 0.00 C ATOM 815 CG PHE A 52 3.736 1.060 5.357 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.834 0.175 6.385 1.00 0.00 C ATOM 817 CD2 PHE A 52 2.920 2.143 5.467 1.00 0.00 C ATOM 818 CE1 PHE A 52 3.084 0.381 7.574 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.170 2.349 6.656 1.00 0.00 C ATOM 820 CZ PHE A 52 2.268 1.464 7.684 1.00 0.00 C ATOM 0 H PHE A 52 4.795 0.362 1.431 1.00 0.00 H new ATOM 0 HA PHE A 52 4.206 -1.306 3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.596 0.721 4.339 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.468 1.728 3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.482 -0.685 6.298 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.842 2.846 4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.162 -0.322 8.390 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.522 3.209 6.743 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.698 1.621 8.588 1.00 0.00 H new ATOM 830 N PHE A 53 1.823 -1.171 3.355 1.00 0.00 N ATOM 831 CA PHE A 53 0.396 -1.148 3.083 1.00 0.00 C ATOM 832 C PHE A 53 -0.356 -0.379 4.171 1.00 0.00 C ATOM 833 O PHE A 53 -0.513 -0.869 5.288 1.00 0.00 O ATOM 834 CB PHE A 53 -0.082 -2.601 3.080 1.00 0.00 C ATOM 835 CG PHE A 53 0.307 -3.381 1.822 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.606 -3.422 1.422 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.647 -4.032 1.104 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.967 -4.146 0.255 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.286 -4.756 -0.064 1.00 0.00 C ATOM 840 CZ PHE A 53 1.013 -4.797 -0.464 1.00 0.00 C ATOM 0 H PHE A 53 2.138 -1.964 3.914 1.00 0.00 H new ATOM 0 HA PHE A 53 0.206 -0.655 2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.329 -3.110 3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.167 -2.616 3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.363 -2.904 1.992 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.679 -3.999 1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.999 -4.180 -0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.043 -5.274 -0.634 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.287 -5.346 -1.352 1.00 0.00 H new ATOM 850 N PHE A 54 -0.802 0.814 3.806 1.00 0.00 N ATOM 851 CA PHE A 54 -1.535 1.656 4.737 1.00 0.00 C ATOM 852 C PHE A 54 -2.745 0.917 5.309 1.00 0.00 C ATOM 853 O PHE A 54 -3.127 -0.140 4.807 1.00 0.00 O ATOM 854 CB PHE A 54 -2.022 2.875 3.950 1.00 0.00 C ATOM 855 CG PHE A 54 -0.922 3.583 3.157 1.00 0.00 C ATOM 856 CD1 PHE A 54 0.120 4.166 3.809 1.00 0.00 C ATOM 857 CD2 PHE A 54 -0.985 3.631 1.799 1.00 0.00 C ATOM 858 CE1 PHE A 54 1.140 4.824 3.073 1.00 0.00 C ATOM 859 CE2 PHE A 54 0.035 4.288 1.063 1.00 0.00 C ATOM 860 CZ PHE A 54 1.077 4.871 1.715 1.00 0.00 C ATOM 0 H PHE A 54 -0.670 1.218 2.879 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.890 1.940 5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.807 2.561 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.471 3.586 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.171 4.128 4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.812 3.169 1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.966 5.287 3.591 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.016 4.325 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.854 5.371 1.155 1.00 0.00 H new ATOM 870 N GLY A 55 -3.316 1.500 6.353 1.00 0.00 N ATOM 871 CA GLY A 55 -4.476 0.910 6.999 1.00 0.00 C ATOM 872 C GLY A 55 -4.068 -0.265 7.890 1.00 0.00 C ATOM 873 O GLY A 55 -4.268 -0.228 9.103 1.00 0.00 O ATOM 0 H GLY A 55 -2.997 2.375 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.987 1.665 7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.184 0.570 6.243 1.00 0.00 H new ATOM 877 N SER A 56 -3.503 -1.281 7.253 1.00 0.00 N ATOM 878 CA SER A 56 -3.066 -2.465 7.972 1.00 0.00 C ATOM 879 C SER A 56 -1.708 -2.207 8.628 1.00 0.00 C ATOM 880 O SER A 56 -1.517 -2.505 9.806 1.00 0.00 O ATOM 881 CB SER A 56 -2.983 -3.676 7.041 1.00 0.00 C ATOM 882 OG SER A 56 -1.900 -3.570 6.122 1.00 0.00 O ATOM 0 H SER A 56 -3.338 -1.308 6.247 1.00 0.00 H new ATOM 0 HA SER A 56 -3.801 -2.685 8.746 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.867 -4.583 7.635 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.918 -3.774 6.489 1.00 0.00 H new ATOM 0 HG SER A 56 -1.268 -4.303 6.276 1.00 0.00 H new ATOM 888 N HIS A 57 -0.800 -1.655 7.837 1.00 0.00 N ATOM 889 CA HIS A 57 0.535 -1.353 8.326 1.00 0.00 C ATOM 890 C HIS A 57 1.383 -2.626 8.321 1.00 0.00 C ATOM 891 O HIS A 57 1.742 -3.141 9.379 1.00 0.00 O ATOM 892 CB HIS A 57 0.471 -0.688 9.703 1.00 0.00 C ATOM 893 CG HIS A 57 -0.603 0.367 9.827 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.162 0.728 11.040 1.00 0.00 N ATOM 895 CD2 HIS A 57 -1.213 1.133 8.878 1.00 0.00 C ATOM 896 CE1 HIS A 57 -2.067 1.670 10.819 1.00 0.00 C ATOM 897 NE2 HIS A 57 -2.098 1.919 9.478 1.00 0.00 N ATOM 0 H HIS A 57 -0.962 -1.409 6.861 1.00 0.00 H new ATOM 0 HA HIS A 57 1.016 -0.635 7.662 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.301 -1.455 10.458 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.438 -0.235 9.921 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.010 1.105 7.818 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.674 2.156 11.569 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.702 2.597 9.013 1.00 0.00 H new ATOM 905 N ASP A 58 1.679 -3.096 7.119 1.00 0.00 N ATOM 906 CA ASP A 58 2.479 -4.299 6.962 1.00 0.00 C ATOM 907 C ASP A 58 3.309 -4.192 5.681 1.00 0.00 C ATOM 908 O ASP A 58 2.841 -3.656 4.677 1.00 0.00 O ATOM 909 CB ASP A 58 1.591 -5.540 6.847 1.00 0.00 C ATOM 910 CG ASP A 58 0.408 -5.581 7.817 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.674 -5.545 9.038 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.735 -5.647 7.315 1.00 0.00 O ATOM 0 H ASP A 58 1.379 -2.666 6.244 1.00 0.00 H new ATOM 0 HA ASP A 58 3.120 -4.394 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.208 -5.601 5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.206 -6.425 7.010 1.00 0.00 H new ATOM 917 N TYR A 59 4.526 -4.709 5.758 1.00 0.00 N ATOM 918 CA TYR A 59 5.426 -4.678 4.617 1.00 0.00 C ATOM 919 C TYR A 59 5.385 -6.002 3.850 1.00 0.00 C ATOM 920 O TYR A 59 5.139 -7.055 4.436 1.00 0.00 O ATOM 921 CB TYR A 59 6.829 -4.478 5.192 1.00 0.00 C ATOM 922 CG TYR A 59 6.959 -3.258 6.106 1.00 0.00 C ATOM 923 CD1 TYR A 59 7.040 -1.993 5.561 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.996 -3.423 7.476 1.00 0.00 C ATOM 925 CE1 TYR A 59 7.162 -0.845 6.421 1.00 0.00 C ATOM 926 CE2 TYR A 59 7.119 -2.275 8.336 1.00 0.00 C ATOM 927 CZ TYR A 59 7.196 -1.042 7.766 1.00 0.00 C ATOM 928 OH TYR A 59 7.311 0.042 8.579 1.00 0.00 O ATOM 0 H TYR A 59 4.910 -5.152 6.593 1.00 0.00 H new ATOM 0 HA TYR A 59 5.141 -3.886 3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.112 -5.370 5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.537 -4.380 4.369 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.012 -1.864 4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.933 -4.413 7.903 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.225 0.151 6.007 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.149 -2.390 9.409 1.00 0.00 H new ATOM 0 HH TYR A 59 7.321 -0.250 9.514 1.00 0.00 H new ATOM 938 N TYR A 60 5.630 -5.904 2.552 1.00 0.00 N ATOM 939 CA TYR A 60 5.625 -7.081 1.699 1.00 0.00 C ATOM 940 C TYR A 60 6.516 -6.873 0.473 1.00 0.00 C ATOM 941 O TYR A 60 6.665 -5.751 -0.008 1.00 0.00 O ATOM 942 CB TYR A 60 4.177 -7.261 1.239 1.00 0.00 C ATOM 943 CG TYR A 60 3.183 -7.480 2.381 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.242 -8.634 3.135 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.228 -6.523 2.657 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.306 -8.839 4.211 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.293 -6.728 3.732 1.00 0.00 C ATOM 948 CZ TYR A 60 1.378 -7.876 4.456 1.00 0.00 C ATOM 949 OH TYR A 60 0.494 -8.071 5.472 1.00 0.00 O ATOM 0 H TYR A 60 5.833 -5.028 2.070 1.00 0.00 H new ATOM 0 HA TYR A 60 6.003 -7.949 2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.875 -6.380 0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.126 -8.111 0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.989 -9.383 2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.182 -5.620 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.341 -9.737 4.809 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.541 -5.987 3.959 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.110 -7.301 5.533 1.00 0.00 H new ATOM 959 N TRP A 61 7.085 -7.973 0.001 1.00 0.00 N ATOM 960 CA TRP A 61 7.957 -7.925 -1.160 1.00 0.00 C ATOM 961 C TRP A 61 7.132 -8.318 -2.387 1.00 0.00 C ATOM 962 O TRP A 61 6.749 -9.478 -2.536 1.00 0.00 O ATOM 963 CB TRP A 61 9.188 -8.811 -0.958 1.00 0.00 C ATOM 964 CG TRP A 61 10.153 -8.301 0.114 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.154 -8.583 1.424 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.265 -7.404 -0.087 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.181 -7.935 2.079 1.00 0.00 N ATOM 968 CE2 TRP A 61 11.878 -7.195 1.131 1.00 0.00 C ATOM 969 CE3 TRP A 61 11.737 -6.788 -1.260 1.00 0.00 C ATOM 970 CZ2 TRP A 61 12.998 -6.370 1.294 1.00 0.00 C ATOM 971 CZ3 TRP A 61 12.856 -5.967 -1.080 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.486 -5.747 0.140 1.00 0.00 C ATOM 0 H TRP A 61 6.959 -8.902 0.402 1.00 0.00 H new ATOM 0 HA TRP A 61 8.345 -6.918 -1.310 1.00 0.00 H new ATOM 0 HB2 TRP A 61 8.860 -9.815 -0.689 1.00 0.00 H new ATOM 0 HB3 TRP A 61 9.723 -8.893 -1.904 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.441 -9.235 1.906 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.390 -7.989 3.076 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.273 -6.937 -2.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.460 -6.223 2.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.259 -5.469 -1.950 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.348 -5.098 0.197 1.00 0.00 H new ATOM 983 N VAL A 62 6.883 -7.331 -3.235 1.00 0.00 N ATOM 984 CA VAL A 62 6.111 -7.559 -4.444 1.00 0.00 C ATOM 985 C VAL A 62 6.872 -6.994 -5.645 1.00 0.00 C ATOM 986 O VAL A 62 7.309 -5.844 -5.622 1.00 0.00 O ATOM 987 CB VAL A 62 4.710 -6.964 -4.290 1.00 0.00 C ATOM 988 CG1 VAL A 62 3.903 -7.724 -3.236 1.00 0.00 C ATOM 989 CG2 VAL A 62 4.782 -5.472 -3.956 1.00 0.00 C ATOM 0 H VAL A 62 7.203 -6.371 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 62 5.979 -8.627 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 62 4.195 -7.069 -5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.911 -7.280 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.808 -8.768 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.414 -7.666 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.773 -5.073 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.325 -5.334 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.300 -4.944 -4.757 1.00 0.00 H new ATOM 999 N HIS A 63 7.009 -7.829 -6.664 1.00 0.00 N ATOM 1000 CA HIS A 63 7.711 -7.427 -7.872 1.00 0.00 C ATOM 1001 C HIS A 63 7.168 -6.081 -8.356 1.00 0.00 C ATOM 1002 O HIS A 63 6.264 -5.515 -7.744 1.00 0.00 O ATOM 1003 CB HIS A 63 7.624 -8.519 -8.939 1.00 0.00 C ATOM 1004 CG HIS A 63 8.966 -8.971 -9.466 1.00 0.00 C ATOM 1005 ND1 HIS A 63 9.778 -9.994 -9.074 1.00 0.00 N flip ATOM 1006 CD2 HIS A 63 9.608 -8.342 -10.518 1.00 0.00 C flip ATOM 1007 CE1 HIS A 63 10.858 -9.991 -9.846 1.00 0.00 C flip ATOM 1008 NE2 HIS A 63 10.755 -8.968 -10.741 1.00 0.00 N flip ATOM 0 H HIS A 63 6.646 -8.782 -6.679 1.00 0.00 H new ATOM 0 HA HIS A 63 8.771 -7.296 -7.655 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.100 -9.379 -8.522 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.023 -8.153 -9.771 1.00 0.00 H new ATOM 0 HD1 HIS A 63 9.588 -10.650 -8.316 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.238 -7.487 -11.064 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.683 -10.685 -9.776 1.00 0.00 H new ATOM 1016 N GLN A 64 7.745 -5.606 -9.451 1.00 0.00 N ATOM 1017 CA GLN A 64 7.331 -4.337 -10.024 1.00 0.00 C ATOM 1018 C GLN A 64 6.529 -4.570 -11.306 1.00 0.00 C ATOM 1019 O GLN A 64 6.870 -5.440 -12.106 1.00 0.00 O ATOM 1020 CB GLN A 64 8.538 -3.435 -10.289 1.00 0.00 C ATOM 1021 CG GLN A 64 9.201 -3.783 -11.623 1.00 0.00 C ATOM 1022 CD GLN A 64 10.617 -3.209 -11.698 1.00 0.00 C ATOM 1023 OE1 GLN A 64 10.933 -2.188 -11.110 1.00 0.00 O ATOM 1024 NE2 GLN A 64 11.450 -3.920 -12.453 1.00 0.00 N ATOM 0 H GLN A 64 8.495 -6.078 -9.956 1.00 0.00 H new ATOM 0 HA GLN A 64 6.690 -3.828 -9.305 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.222 -2.392 -10.297 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.261 -3.543 -9.481 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.237 -4.866 -11.744 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.602 -3.390 -12.444 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.121 -4.766 -12.918 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.418 -3.619 -12.567 1.00 0.00 H new ATOM 1033 N GLY A 65 5.479 -3.777 -11.462 1.00 0.00 N ATOM 1034 CA GLY A 65 4.626 -3.887 -12.633 1.00 0.00 C ATOM 1035 C GLY A 65 3.176 -4.164 -12.232 1.00 0.00 C ATOM 1036 O GLY A 65 2.285 -4.179 -13.080 1.00 0.00 O ATOM 0 H GLY A 65 5.200 -3.056 -10.797 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.677 -2.965 -13.212 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.988 -4.688 -13.277 1.00 0.00 H new ATOM 1040 N ARG A 66 2.984 -4.375 -10.938 1.00 0.00 N ATOM 1041 CA ARG A 66 1.657 -4.651 -10.414 1.00 0.00 C ATOM 1042 C ARG A 66 1.127 -3.438 -9.647 1.00 0.00 C ATOM 1043 O ARG A 66 -0.037 -3.410 -9.250 1.00 0.00 O ATOM 1044 CB ARG A 66 1.674 -5.866 -9.484 1.00 0.00 C ATOM 1045 CG ARG A 66 1.956 -7.151 -10.265 1.00 0.00 C ATOM 1046 CD ARG A 66 2.035 -8.357 -9.327 1.00 0.00 C ATOM 1047 NE ARG A 66 1.355 -9.520 -9.940 1.00 0.00 N ATOM 1048 CZ ARG A 66 1.929 -10.344 -10.827 1.00 0.00 C ATOM 1049 NH1 ARG A 66 3.196 -10.137 -11.211 1.00 0.00 N ATOM 1050 NH2 ARG A 66 1.236 -11.374 -11.331 1.00 0.00 N ATOM 0 H ARG A 66 3.725 -4.360 -10.237 1.00 0.00 H new ATOM 0 HA ARG A 66 1.004 -4.864 -11.260 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.435 -5.729 -8.715 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.715 -5.950 -8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.171 -7.311 -11.004 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.893 -7.050 -10.813 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.077 -8.601 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.570 -8.116 -8.371 1.00 0.00 H new ATOM 0 HE ARG A 66 0.389 -9.706 -9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.723 -9.352 -10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.633 -10.764 -11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.271 -11.531 -11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.673 -12.001 -12.006 1.00 0.00 H new ATOM 1064 N VAL A 67 2.006 -2.464 -9.462 1.00 0.00 N ATOM 1065 CA VAL A 67 1.641 -1.251 -8.750 1.00 0.00 C ATOM 1066 C VAL A 67 1.349 -0.140 -9.760 1.00 0.00 C ATOM 1067 O VAL A 67 1.908 -0.130 -10.856 1.00 0.00 O ATOM 1068 CB VAL A 67 2.740 -0.879 -7.753 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.350 -2.129 -7.117 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.817 -0.021 -8.420 1.00 0.00 C ATOM 0 H VAL A 67 2.970 -2.490 -9.793 1.00 0.00 H new ATOM 0 HA VAL A 67 0.733 -1.408 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 67 2.285 -0.288 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.128 -1.836 -6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.574 -2.685 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.783 -2.759 -7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.586 0.230 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.266 -0.576 -9.244 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.367 0.895 -8.802 1.00 0.00 H new ATOM 1080 N PHE A 68 0.473 0.768 -9.356 1.00 0.00 N ATOM 1081 CA PHE A 68 0.100 1.881 -10.213 1.00 0.00 C ATOM 1082 C PHE A 68 0.424 3.219 -9.546 1.00 0.00 C ATOM 1083 O PHE A 68 0.426 3.321 -8.320 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.411 1.788 -10.434 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.807 1.261 -11.815 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.828 -0.079 -12.051 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.137 2.131 -12.806 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -2.195 -0.568 -13.332 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.504 1.642 -14.088 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.525 0.303 -14.324 1.00 0.00 C ATOM 0 H PHE A 68 0.011 0.756 -8.447 1.00 0.00 H new ATOM 0 HA PHE A 68 0.653 1.830 -11.151 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.840 1.138 -9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.850 2.776 -10.294 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.565 -0.770 -11.264 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.120 3.194 -12.618 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.212 -1.631 -13.519 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.766 2.333 -14.875 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.804 -0.069 -15.299 1.00 0.00 H new ATOM 1100 N PRO A 69 0.697 4.238 -10.404 1.00 0.00 N ATOM 1101 CA PRO A 69 1.022 5.565 -9.911 1.00 0.00 C ATOM 1102 C PRO A 69 -0.230 6.283 -9.403 1.00 0.00 C ATOM 1103 O PRO A 69 -1.212 6.417 -10.131 1.00 0.00 O ATOM 1104 CB PRO A 69 1.676 6.273 -11.086 1.00 0.00 C ATOM 1105 CG PRO A 69 1.276 5.484 -12.323 1.00 0.00 C ATOM 1106 CD PRO A 69 0.704 4.153 -11.862 1.00 0.00 C ATOM 0 HA PRO A 69 1.694 5.541 -9.053 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.338 7.307 -11.156 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.760 6.299 -10.973 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.538 6.035 -12.905 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.139 5.325 -12.970 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.301 3.997 -12.254 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.315 3.319 -12.207 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.154 6.726 -8.156 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.269 7.427 -7.542 1.00 0.00 C ATOM 1116 C TYR A 70 -1.287 8.899 -7.957 1.00 0.00 C ATOM 1117 O TYR A 70 -0.347 9.640 -7.672 1.00 0.00 O ATOM 1118 CB TYR A 70 -1.043 7.338 -6.032 1.00 0.00 C ATOM 1119 CG TYR A 70 -2.099 8.068 -5.200 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -2.053 9.442 -5.078 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.099 7.353 -4.572 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -3.047 10.129 -4.295 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.093 8.040 -3.790 1.00 0.00 C ATOM 1124 CZ TYR A 70 -4.018 9.394 -3.690 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.958 10.043 -2.951 1.00 0.00 O ATOM 0 H TYR A 70 0.662 6.613 -7.555 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.216 6.985 -7.850 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.026 6.288 -5.739 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.062 7.750 -5.797 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.271 10.002 -5.570 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.135 6.278 -4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.022 11.204 -4.191 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.881 7.492 -3.294 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.589 9.392 -2.579 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.367 9.280 -8.625 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.519 10.651 -9.082 1.00 0.00 C ATOM 1137 C VAL A 71 -3.137 11.492 -7.963 1.00 0.00 C ATOM 1138 O VAL A 71 -3.760 10.953 -7.049 1.00 0.00 O ATOM 1139 CB VAL A 71 -3.336 10.683 -10.375 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -3.568 12.122 -10.841 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -2.663 9.854 -11.470 1.00 0.00 C ATOM 0 H VAL A 71 -3.144 8.663 -8.860 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.547 11.086 -9.316 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.309 10.237 -10.168 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.151 12.117 -11.762 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.111 12.671 -10.071 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.608 12.605 -11.022 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.265 9.894 -12.378 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.671 10.257 -11.674 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.573 8.819 -11.140 1.00 0.00 H new ATOM 1151 N GLU A 72 -2.943 12.798 -8.071 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.474 13.718 -7.080 1.00 0.00 C ATOM 1153 C GLU A 72 -4.477 14.675 -7.727 1.00 0.00 C ATOM 1154 O GLU A 72 -4.161 15.837 -7.975 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.347 14.490 -6.390 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.759 14.916 -4.979 1.00 0.00 C ATOM 1157 CD GLU A 72 -3.545 16.229 -5.011 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -3.151 17.107 -5.809 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -4.521 16.325 -4.236 1.00 0.00 O ATOM 0 H GLU A 72 -2.425 13.241 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.994 13.139 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.453 13.868 -6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.090 15.370 -6.979 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.367 14.135 -4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.872 15.034 -4.357 1.00 0.00 H new ATOM 1367 N THR A 87 -11.244 0.170 7.166 1.00 0.00 N ATOM 1368 CA THR A 87 -9.804 0.336 7.067 1.00 0.00 C ATOM 1369 C THR A 87 -9.433 0.999 5.739 1.00 0.00 C ATOM 1370 O THR A 87 -8.663 1.958 5.713 1.00 0.00 O ATOM 1371 CB THR A 87 -9.155 -1.036 7.263 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.214 -1.250 8.671 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.658 -1.026 6.950 1.00 0.00 C ATOM 0 HA THR A 87 -9.429 1.003 7.843 1.00 0.00 H new ATOM 0 HB THR A 87 -9.654 -1.767 6.627 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.032 -0.846 9.029 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.247 -2.024 7.105 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.505 -0.728 5.913 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.153 -0.319 7.609 1.00 0.00 H new ATOM 1381 N PHE A 88 -9.998 0.461 4.668 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.737 0.988 3.339 1.00 0.00 C ATOM 1383 C PHE A 88 -9.757 2.518 3.343 1.00 0.00 C ATOM 1384 O PHE A 88 -8.812 3.156 2.880 1.00 0.00 O ATOM 1385 CB PHE A 88 -10.855 0.478 2.428 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.658 0.822 0.950 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.562 0.368 0.286 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.580 1.582 0.300 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.379 0.687 -1.086 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.398 1.901 -1.071 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.301 1.447 -1.735 1.00 0.00 C ATOM 0 H PHE A 88 -10.636 -0.335 4.693 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.754 0.665 2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.929 -0.604 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.804 0.896 2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.830 -0.236 0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.451 1.943 0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.508 0.326 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.130 2.504 -1.587 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.162 1.690 -2.778 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.843 3.063 3.871 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.998 4.506 3.941 1.00 0.00 C ATOM 1403 C LYS A 89 -9.841 5.100 4.747 1.00 0.00 C ATOM 1404 O LYS A 89 -9.289 6.135 4.376 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.379 4.870 4.489 1.00 0.00 C ATOM 1406 CG LYS A 89 -12.321 6.160 5.310 1.00 0.00 C ATOM 1407 CD LYS A 89 -13.727 6.684 5.609 1.00 0.00 C ATOM 1408 CE LYS A 89 -13.675 7.890 6.549 1.00 0.00 C ATOM 1409 NZ LYS A 89 -13.838 7.459 7.955 1.00 0.00 N ATOM 0 H LYS A 89 -11.624 2.531 4.254 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.950 4.943 2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.081 4.991 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.754 4.056 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.791 5.977 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.755 6.916 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.220 6.965 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.326 5.893 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.725 8.411 6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.461 8.598 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.800 8.290 8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.755 6.982 8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.073 6.801 8.207 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.508 4.420 5.834 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.427 4.868 6.695 1.00 0.00 C ATOM 1425 C LYS A 90 -7.118 4.871 5.903 1.00 0.00 C ATOM 1426 O LYS A 90 -6.363 5.841 5.950 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.372 4.023 7.970 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.176 4.419 8.839 1.00 0.00 C ATOM 1429 CD LYS A 90 -7.489 4.224 10.324 1.00 0.00 C ATOM 1430 CE LYS A 90 -6.221 4.340 11.171 1.00 0.00 C ATOM 1431 NZ LYS A 90 -6.256 5.573 11.990 1.00 0.00 N ATOM 0 H LYS A 90 -9.968 3.562 6.138 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.603 5.892 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.295 4.151 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.302 2.967 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.308 3.819 8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.915 5.461 8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.216 4.969 10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.945 3.246 10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.128 3.468 11.819 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.344 4.351 10.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.388 5.637 12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.322 6.402 11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.082 5.547 12.621 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.889 3.775 5.195 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.685 3.640 4.394 1.00 0.00 C ATOM 1447 C ALA A 91 -5.676 4.717 3.307 1.00 0.00 C ATOM 1448 O ALA A 91 -4.644 5.336 3.051 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.614 2.226 3.814 1.00 0.00 C ATOM 0 H ALA A 91 -7.517 2.972 5.160 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.797 3.786 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.711 2.124 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.593 1.500 4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.488 2.045 3.189 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.837 4.908 2.699 1.00 0.00 N ATOM 1456 CA LEU A 92 -6.976 5.899 1.646 1.00 0.00 C ATOM 1457 C LEU A 92 -6.526 7.263 2.173 1.00 0.00 C ATOM 1458 O LEU A 92 -5.646 7.898 1.592 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.402 5.895 1.090 1.00 0.00 C ATOM 1460 CG LEU A 92 -8.827 4.628 0.345 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.340 4.418 0.442 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.344 4.657 -1.106 1.00 0.00 C ATOM 0 H LEU A 92 -7.690 4.393 2.916 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.330 5.652 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.094 6.056 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.510 6.744 0.414 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.351 3.773 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.617 3.511 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.628 4.321 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.855 5.272 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.659 3.745 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.771 5.521 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.256 4.726 -1.126 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.148 7.674 3.268 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.823 8.951 3.880 1.00 0.00 C ATOM 1476 C GLU A 93 -5.316 9.053 4.125 1.00 0.00 C ATOM 1477 O GLU A 93 -4.669 9.987 3.654 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.604 9.151 5.180 1.00 0.00 C ATOM 1479 CG GLU A 93 -9.110 9.209 4.911 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.799 10.189 5.862 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.508 11.399 5.739 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -10.602 9.707 6.690 1.00 0.00 O ATOM 0 H GLU A 93 -7.876 7.145 3.748 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.115 9.746 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.385 8.335 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.282 10.073 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.287 9.512 3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.543 8.216 5.030 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.801 8.079 4.862 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.383 8.048 5.175 1.00 0.00 C ATOM 1491 C GLU A 94 -2.554 8.162 3.894 1.00 0.00 C ATOM 1492 O GLU A 94 -1.677 9.020 3.793 1.00 0.00 O ATOM 1493 CB GLU A 94 -3.021 6.780 5.951 1.00 0.00 C ATOM 1494 CG GLU A 94 -3.089 7.022 7.460 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.795 6.581 8.146 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -1.734 5.395 8.536 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -0.894 7.440 8.264 1.00 0.00 O ATOM 0 H GLU A 94 -5.341 7.306 5.251 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.152 8.903 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.703 5.975 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.017 6.455 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.265 8.080 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.933 6.476 7.882 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.859 7.286 2.949 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.153 7.278 1.679 1.00 0.00 C ATOM 1506 C ALA A 95 -2.019 8.714 1.166 1.00 0.00 C ATOM 1507 O ALA A 95 -0.963 9.103 0.671 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.890 6.373 0.690 1.00 0.00 C ATOM 0 H ALA A 95 -3.586 6.576 3.037 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.147 6.876 1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.360 6.367 -0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.933 5.359 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.903 6.747 0.540 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.105 9.461 1.303 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.121 10.845 0.860 1.00 0.00 C ATOM 1516 C ALA A 96 -2.061 11.635 1.630 1.00 0.00 C ATOM 1517 O ALA A 96 -1.145 12.197 1.032 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.526 11.422 1.042 1.00 0.00 C ATOM 0 H ALA A 96 -3.979 9.134 1.714 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.876 10.912 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.539 12.460 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.236 10.843 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.805 11.374 2.094 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.222 11.653 2.945 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.290 12.365 3.803 1.00 0.00 C ATOM 1526 C LYS A 97 0.135 12.155 3.286 1.00 0.00 C ATOM 1527 O LYS A 97 0.782 13.101 2.839 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.482 11.950 5.263 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.690 13.174 6.158 1.00 0.00 C ATOM 1530 CD LYS A 97 -3.134 13.249 6.657 1.00 0.00 C ATOM 1531 CE LYS A 97 -3.284 14.316 7.743 1.00 0.00 C ATOM 1532 NZ LYS A 97 -4.712 14.633 7.965 1.00 0.00 N ATOM 0 H LYS A 97 -2.984 11.186 3.437 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.486 13.437 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.341 11.284 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.611 11.390 5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.010 13.127 7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.445 14.080 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.799 13.477 5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.437 12.279 7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.835 13.964 8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.746 15.218 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.795 15.359 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.130 14.989 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.216 13.774 8.264 1.00 0.00 H new ATOM 1546 N ARG A 98 0.581 10.910 3.365 1.00 0.00 N ATOM 1547 CA ARG A 98 1.917 10.564 2.911 1.00 0.00 C ATOM 1548 C ARG A 98 2.263 11.339 1.638 1.00 0.00 C ATOM 1549 O ARG A 98 3.207 12.127 1.623 1.00 0.00 O ATOM 1550 CB ARG A 98 2.034 9.064 2.634 1.00 0.00 C ATOM 1551 CG ARG A 98 2.233 8.280 3.933 1.00 0.00 C ATOM 1552 CD ARG A 98 3.714 8.209 4.309 1.00 0.00 C ATOM 1553 NE ARG A 98 3.971 7.005 5.129 1.00 0.00 N ATOM 1554 CZ ARG A 98 5.194 6.559 5.448 1.00 0.00 C ATOM 1555 NH1 ARG A 98 6.280 7.217 5.017 1.00 0.00 N ATOM 1556 NH2 ARG A 98 5.332 5.457 6.197 1.00 0.00 N ATOM 0 H ARG A 98 0.041 10.129 3.737 1.00 0.00 H new ATOM 0 HA ARG A 98 2.615 10.831 3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.135 8.713 2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.872 8.879 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.672 8.755 4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.835 7.272 3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.326 8.182 3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.001 9.104 4.862 1.00 0.00 H new ATOM 0 HE ARG A 98 3.167 6.481 5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.175 8.056 4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.211 6.878 5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.506 4.957 6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.263 5.118 6.439 1.00 0.00 H new ATOM 1570 N PHE A 99 1.478 11.089 0.600 1.00 0.00 N ATOM 1571 CA PHE A 99 1.689 11.753 -0.675 1.00 0.00 C ATOM 1572 C PHE A 99 1.960 13.246 -0.477 1.00 0.00 C ATOM 1573 O PHE A 99 2.817 13.819 -1.148 1.00 0.00 O ATOM 1574 CB PHE A 99 0.403 11.584 -1.486 1.00 0.00 C ATOM 1575 CG PHE A 99 0.539 11.977 -2.959 1.00 0.00 C ATOM 1576 CD1 PHE A 99 1.077 11.101 -3.849 1.00 0.00 C ATOM 1577 CD2 PHE A 99 0.122 13.202 -3.377 1.00 0.00 C ATOM 1578 CE1 PHE A 99 1.204 11.466 -5.216 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.249 13.567 -4.744 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.787 12.691 -5.634 1.00 0.00 C ATOM 0 H PHE A 99 0.695 10.436 0.616 1.00 0.00 H new ATOM 0 HA PHE A 99 2.550 11.318 -1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.082 10.544 -1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.383 12.187 -1.031 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.408 10.128 -3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.306 13.897 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.632 10.771 -5.923 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.082 14.540 -5.076 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.883 12.968 -6.673 1.00 0.00 H new ATOM 1590 N GLN A 100 1.214 13.833 0.447 1.00 0.00 N ATOM 1591 CA GLN A 100 1.363 15.248 0.742 1.00 0.00 C ATOM 1592 C GLN A 100 2.644 15.491 1.542 1.00 0.00 C ATOM 1593 O GLN A 100 3.276 16.538 1.407 1.00 0.00 O ATOM 1594 CB GLN A 100 0.140 15.785 1.488 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.156 15.317 0.823 1.00 0.00 C ATOM 1596 CD GLN A 100 -1.940 16.502 0.256 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.747 16.924 -0.872 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -2.834 17.012 1.098 1.00 0.00 N ATOM 0 H GLN A 100 0.504 13.354 1.002 1.00 0.00 H new ATOM 0 HA GLN A 100 1.438 15.790 -0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.164 15.447 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.170 16.874 1.507 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.925 14.613 0.023 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.770 14.784 1.549 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.945 16.610 2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.409 17.805 0.813 1.00 0.00 H new ATOM 1607 N GLU A 101 2.990 14.507 2.359 1.00 0.00 N ATOM 1608 CA GLU A 101 4.184 14.600 3.181 1.00 0.00 C ATOM 1609 C GLU A 101 5.437 14.450 2.316 1.00 0.00 C ATOM 1610 O GLU A 101 6.317 15.309 2.338 1.00 0.00 O ATOM 1611 CB GLU A 101 4.162 13.558 4.301 1.00 0.00 C ATOM 1612 CG GLU A 101 2.769 13.453 4.925 1.00 0.00 C ATOM 1613 CD GLU A 101 2.861 13.163 6.425 1.00 0.00 C ATOM 1614 OE1 GLU A 101 2.918 14.149 7.191 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.872 11.962 6.771 1.00 0.00 O ATOM 0 H GLU A 101 2.463 13.640 2.469 1.00 0.00 H new ATOM 0 HA GLU A 101 4.204 15.585 3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.461 12.587 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.888 13.828 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.223 14.383 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.204 12.662 4.432 1.00 0.00 H new ATOM 1622 N LEU A 102 5.478 13.352 1.576 1.00 0.00 N ATOM 1623 CA LEU A 102 6.609 13.078 0.706 1.00 0.00 C ATOM 1624 C LEU A 102 7.017 14.365 -0.014 1.00 0.00 C ATOM 1625 O LEU A 102 8.168 14.790 0.072 1.00 0.00 O ATOM 1626 CB LEU A 102 6.288 11.920 -0.241 1.00 0.00 C ATOM 1627 CG LEU A 102 6.738 10.532 0.220 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.273 10.252 1.650 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.270 9.451 -0.757 1.00 0.00 C ATOM 0 H LEU A 102 4.746 12.642 1.561 1.00 0.00 H new ATOM 0 HA LEU A 102 7.469 12.753 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.210 11.896 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.749 12.128 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 102 7.828 10.511 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.606 9.259 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.696 10.998 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.185 10.299 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.603 8.474 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.182 9.463 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.691 9.645 -1.743 1.00 0.00 H new ATOM 1641 N LYS A 103 6.051 14.950 -0.706 1.00 0.00 N ATOM 1642 CA LYS A 103 6.295 16.180 -1.440 1.00 0.00 C ATOM 1643 C LYS A 103 6.570 17.314 -0.450 1.00 0.00 C ATOM 1644 O LYS A 103 7.353 18.218 -0.737 1.00 0.00 O ATOM 1645 CB LYS A 103 5.140 16.469 -2.401 1.00 0.00 C ATOM 1646 CG LYS A 103 3.834 16.694 -1.637 1.00 0.00 C ATOM 1647 CD LYS A 103 2.622 16.450 -2.538 1.00 0.00 C ATOM 1648 CE LYS A 103 1.737 17.696 -2.615 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.439 18.787 -3.327 1.00 0.00 N ATOM 0 H LYS A 103 5.097 14.595 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 103 7.182 16.080 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.372 17.350 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 103 5.021 15.636 -3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.792 16.026 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.805 17.713 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.957 16.175 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.042 15.611 -2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.807 17.457 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.470 18.022 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.755 19.523 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.164 19.198 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.892 18.408 -4.183 1.00 0.00 H new