USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 720 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 Single : A 12 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.37) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.16) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.68! C(o=-2.7!,f=-6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00931 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -2.66! K(o=-2.7!,f=-1.5) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -2.39! K(o=-2.4!,f=-1.7) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.25) USER MOD Single : A 68 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.04) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.689 K(o=0.69,f=-1.8!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00408 USER MOD Single : A 73 ASN : amide:sc= -3.42! K(o=-3.4!,f=-1) USER MOD Single : A 75 SER OG : rot 111:sc= 0.0356 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 151:sc= 0.883 USER MOD Single : A 85 LYS NZ :NH3+ -116:sc= -0.367 (180deg=-1.66) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -120:sc= 0.471! USER MOD Single : A 90 SER OG : rot 110:sc= -0.187 USER MOD Single : A 92 ASN : amide:sc= -0.0819 X(o=-0.082,f=0.22) USER MOD Single : A 100 ASN : amide:sc= -1.75! C(o=-1.7!,f=-6.8!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -21.473 1.694 7.244 1.00 0.00 N ATOM 119 CA VAL A 11 -20.783 1.784 5.963 1.00 0.00 C ATOM 120 C VAL A 11 -20.450 0.399 5.421 1.00 0.00 C ATOM 121 O VAL A 11 -20.494 -0.593 6.149 1.00 0.00 O ATOM 122 CB VAL A 11 -19.483 2.602 6.082 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.776 3.992 6.626 1.00 0.00 C ATOM 124 CG2 VAL A 11 -18.476 1.878 6.962 1.00 0.00 C ATOM 0 HA VAL A 11 -21.460 2.289 5.273 1.00 0.00 H new ATOM 0 HB VAL A 11 -19.050 2.710 5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.846 4.556 6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.459 4.510 5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -20.233 3.908 7.612 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.564 2.471 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.898 1.737 7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.244 0.907 6.526 1.00 0.00 H new ATOM 134 N LYS A 12 -20.116 0.337 4.136 1.00 0.00 N ATOM 135 CA LYS A 12 -19.773 -0.926 3.494 1.00 0.00 C ATOM 136 C LYS A 12 -18.349 -1.346 3.845 1.00 0.00 C ATOM 137 O LYS A 12 -17.402 -0.588 3.645 1.00 0.00 O ATOM 138 CB LYS A 12 -19.921 -0.806 1.975 1.00 0.00 C ATOM 139 CG LYS A 12 -21.306 -1.167 1.469 1.00 0.00 C ATOM 140 CD LYS A 12 -21.501 -0.737 0.024 1.00 0.00 C ATOM 141 CE LYS A 12 -21.054 -1.821 -0.945 1.00 0.00 C ATOM 142 NZ LYS A 12 -19.611 -1.693 -1.292 1.00 0.00 N ATOM 0 H LYS A 12 -20.076 1.148 3.519 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.459 -1.690 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.689 0.216 1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.188 -1.454 1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.456 -2.243 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -22.059 -0.690 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.552 -0.504 -0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.937 0.176 -0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.236 -2.801 -0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -21.653 -1.765 -1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.513 -1.521 -2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.197 -0.898 -0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.114 -2.571 -1.040 1.00 0.00 H new ATOM 156 N GLU A 13 -18.207 -2.560 4.369 1.00 0.00 N ATOM 157 CA GLU A 13 -16.899 -3.080 4.746 1.00 0.00 C ATOM 158 C GLU A 13 -16.114 -3.526 3.516 1.00 0.00 C ATOM 159 O GLU A 13 -16.394 -4.574 2.933 1.00 0.00 O ATOM 160 CB GLU A 13 -17.052 -4.251 5.719 1.00 0.00 C ATOM 161 CG GLU A 13 -17.757 -3.880 7.012 1.00 0.00 C ATOM 162 CD GLU A 13 -18.354 -5.083 7.718 1.00 0.00 C ATOM 163 OE1 GLU A 13 -17.750 -6.174 7.643 1.00 0.00 O ATOM 164 OE2 GLU A 13 -19.424 -4.934 8.343 1.00 0.00 O ATOM 0 H GLU A 13 -18.982 -3.201 4.542 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.347 -2.279 5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.608 -5.050 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.065 -4.648 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.049 -3.387 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.547 -3.161 6.797 1.00 0.00 H new ATOM 171 N LEU A 14 -15.131 -2.723 3.125 1.00 0.00 N ATOM 172 CA LEU A 14 -14.305 -3.033 1.963 1.00 0.00 C ATOM 173 C LEU A 14 -13.124 -3.915 2.355 1.00 0.00 C ATOM 174 O LEU A 14 -12.582 -3.795 3.454 1.00 0.00 O ATOM 175 CB LEU A 14 -13.801 -1.744 1.313 1.00 0.00 C ATOM 176 CG LEU A 14 -14.875 -0.743 0.884 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.245 0.591 0.514 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.682 -1.295 -0.282 1.00 0.00 C ATOM 0 H LEU A 14 -14.886 -1.852 3.596 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.919 -3.578 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.129 -1.247 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.210 -2.010 0.437 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.550 -0.582 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.025 1.290 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.712 0.993 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.547 0.447 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.442 -0.570 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.019 -1.486 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.165 -2.225 0.018 1.00 0.00 H new ATOM 190 N THR A 15 -12.726 -4.800 1.446 1.00 0.00 N ATOM 191 CA THR A 15 -11.608 -5.702 1.696 1.00 0.00 C ATOM 192 C THR A 15 -10.317 -5.154 1.100 1.00 0.00 C ATOM 193 O THR A 15 -10.050 -5.321 -0.091 1.00 0.00 O ATOM 194 CB THR A 15 -11.875 -7.102 1.113 1.00 0.00 C ATOM 195 OG1 THR A 15 -13.056 -7.660 1.700 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.693 -8.027 1.363 1.00 0.00 C ATOM 0 H THR A 15 -13.161 -4.911 0.530 1.00 0.00 H new ATOM 0 HA THR A 15 -11.501 -5.781 2.778 1.00 0.00 H new ATOM 0 HB THR A 15 -12.017 -7.002 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.220 -8.550 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.905 -9.010 0.942 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.802 -7.614 0.890 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.524 -8.120 2.436 1.00 0.00 H new ATOM 204 N VAL A 16 -9.517 -4.498 1.935 1.00 0.00 N ATOM 205 CA VAL A 16 -8.251 -3.927 1.490 1.00 0.00 C ATOM 206 C VAL A 16 -7.091 -4.877 1.768 1.00 0.00 C ATOM 207 O VAL A 16 -6.885 -5.305 2.903 1.00 0.00 O ATOM 208 CB VAL A 16 -7.972 -2.578 2.179 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.627 -2.021 1.738 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.089 -1.588 1.886 1.00 0.00 C ATOM 0 H VAL A 16 -9.723 -4.349 2.923 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.336 -3.768 0.415 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.936 -2.742 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.447 -1.068 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.837 -2.724 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.631 -1.872 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.875 -0.641 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.160 -1.427 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.034 -1.985 2.257 1.00 0.00 H new ATOM 220 N SER A 17 -6.336 -5.201 0.723 1.00 0.00 N ATOM 221 CA SER A 17 -5.198 -6.104 0.854 1.00 0.00 C ATOM 222 C SER A 17 -4.115 -5.763 -0.165 1.00 0.00 C ATOM 223 O SER A 17 -4.345 -5.813 -1.372 1.00 0.00 O ATOM 224 CB SER A 17 -5.648 -7.555 0.671 1.00 0.00 C ATOM 225 OG SER A 17 -4.587 -8.455 0.943 1.00 0.00 O ATOM 0 H SER A 17 -6.491 -4.852 -0.223 1.00 0.00 H new ATOM 0 HA SER A 17 -4.782 -5.983 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.487 -7.766 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.003 -7.703 -0.349 1.00 0.00 H new ATOM 0 HG SER A 17 -4.900 -9.376 0.821 1.00 0.00 H new ATOM 231 N ALA A 18 -2.933 -5.415 0.333 1.00 0.00 N ATOM 232 CA ALA A 18 -1.812 -5.068 -0.532 1.00 0.00 C ATOM 233 C ALA A 18 -1.391 -6.256 -1.390 1.00 0.00 C ATOM 234 O ALA A 18 -1.052 -6.099 -2.562 1.00 0.00 O ATOM 235 CB ALA A 18 -0.638 -4.572 0.298 1.00 0.00 C ATOM 0 H ALA A 18 -2.727 -5.366 1.331 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.135 -4.268 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.192 -4.317 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.938 -3.689 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.325 -5.354 0.989 1.00 0.00 H new ATOM 241 N GLY A 19 -1.415 -7.446 -0.797 1.00 0.00 N ATOM 242 CA GLY A 19 -1.033 -8.644 -1.522 1.00 0.00 C ATOM 243 C GLY A 19 -0.244 -9.613 -0.664 1.00 0.00 C ATOM 244 O GLY A 19 -0.749 -10.671 -0.287 1.00 0.00 O ATOM 0 H GLY A 19 -1.692 -7.602 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.929 -9.140 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.437 -8.365 -2.391 1.00 0.00 H new ATOM 248 N ASP A 20 0.997 -9.254 -0.357 1.00 0.00 N ATOM 249 CA ASP A 20 1.858 -10.100 0.461 1.00 0.00 C ATOM 250 C ASP A 20 3.177 -9.398 0.768 1.00 0.00 C ATOM 251 O ASP A 20 3.432 -8.296 0.285 1.00 0.00 O ATOM 252 CB ASP A 20 2.125 -11.429 -0.247 1.00 0.00 C ATOM 253 CG ASP A 20 2.653 -12.492 0.695 1.00 0.00 C ATOM 254 OD1 ASP A 20 1.964 -12.798 1.690 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.757 -13.018 0.439 1.00 0.00 O ATOM 0 H ASP A 20 1.430 -8.382 -0.662 1.00 0.00 H new ATOM 0 HA ASP A 20 1.345 -10.296 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.203 -11.783 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.844 -11.271 -1.051 1.00 0.00 H new ATOM 260 N ASN A 21 4.012 -10.045 1.575 1.00 0.00 N ATOM 261 CA ASN A 21 5.305 -9.482 1.948 1.00 0.00 C ATOM 262 C ASN A 21 6.234 -9.407 0.740 1.00 0.00 C ATOM 263 O ASN A 21 6.321 -10.348 -0.050 1.00 0.00 O ATOM 264 CB ASN A 21 5.952 -10.322 3.051 1.00 0.00 C ATOM 265 CG ASN A 21 6.176 -11.760 2.626 1.00 0.00 C ATOM 266 OD1 ASN A 21 7.203 -12.092 2.034 1.00 0.00 O ATOM 267 ND2 ASN A 21 5.212 -12.623 2.927 1.00 0.00 N ATOM 0 H ASN A 21 3.817 -10.959 1.983 1.00 0.00 H new ATOM 0 HA ASN A 21 5.139 -8.471 2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.906 -9.876 3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.318 -10.303 3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.307 -13.605 2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.377 -12.304 3.419 1.00 0.00 H new ATOM 274 N LEU A 22 6.927 -8.282 0.603 1.00 0.00 N ATOM 275 CA LEU A 22 7.851 -8.083 -0.509 1.00 0.00 C ATOM 276 C LEU A 22 9.284 -7.940 -0.007 1.00 0.00 C ATOM 277 O LEU A 22 9.534 -7.288 1.008 1.00 0.00 O ATOM 278 CB LEU A 22 7.454 -6.843 -1.312 1.00 0.00 C ATOM 279 CG LEU A 22 5.997 -6.779 -1.771 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.528 -8.143 -2.252 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.105 -6.272 -0.647 1.00 0.00 C ATOM 0 H LEU A 22 6.867 -7.494 1.248 1.00 0.00 H new ATOM 0 HA LEU A 22 7.797 -8.959 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.662 -5.961 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.094 -6.784 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 22 5.930 -6.080 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.489 -8.078 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.148 -8.467 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.611 -8.864 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.072 -6.233 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.177 -6.946 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.426 -5.274 -0.350 1.00 0.00 H new ATOM 293 N ILE A 23 10.220 -8.552 -0.724 1.00 0.00 N ATOM 294 CA ILE A 23 11.628 -8.490 -0.352 1.00 0.00 C ATOM 295 C ILE A 23 12.502 -8.173 -1.561 1.00 0.00 C ATOM 296 O ILE A 23 12.404 -8.828 -2.599 1.00 0.00 O ATOM 297 CB ILE A 23 12.103 -9.812 0.278 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.250 -10.154 1.501 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.573 -9.719 0.659 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.449 -11.569 2.000 1.00 0.00 C ATOM 0 H ILE A 23 10.029 -9.096 -1.565 1.00 0.00 H new ATOM 0 HA ILE A 23 11.725 -7.691 0.384 1.00 0.00 H new ATOM 0 HB ILE A 23 11.988 -10.610 -0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.486 -9.457 2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.199 -10.009 1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.894 -10.661 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.168 -9.516 -0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.712 -8.913 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.813 -11.741 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.185 -12.273 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.493 -11.713 2.280 1.00 0.00 H new ATOM 312 N ILE A 24 13.357 -7.166 -1.419 1.00 0.00 N ATOM 313 CA ILE A 24 14.251 -6.764 -2.498 1.00 0.00 C ATOM 314 C ILE A 24 15.711 -6.881 -2.075 1.00 0.00 C ATOM 315 O ILE A 24 16.022 -6.937 -0.885 1.00 0.00 O ATOM 316 CB ILE A 24 13.973 -5.319 -2.951 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.444 -4.487 -1.780 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.983 -5.306 -4.106 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.120 -3.057 -2.152 1.00 0.00 C ATOM 0 H ILE A 24 13.450 -6.613 -0.567 1.00 0.00 H new ATOM 0 HA ILE A 24 14.062 -7.440 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 24 14.908 -4.876 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.547 -4.963 -1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.185 -4.487 -0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.797 -4.277 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.395 -5.867 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.047 -5.764 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.751 -2.527 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.019 -2.564 -2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.356 -3.047 -2.929 1.00 0.00 H new ATOM 331 N THR A 25 16.605 -6.915 -3.058 1.00 0.00 N ATOM 332 CA THR A 25 18.034 -7.024 -2.788 1.00 0.00 C ATOM 333 C THR A 25 18.822 -5.978 -3.568 1.00 0.00 C ATOM 334 O THR A 25 18.677 -5.857 -4.786 1.00 0.00 O ATOM 335 CB THR A 25 18.567 -8.424 -3.145 1.00 0.00 C ATOM 336 OG1 THR A 25 17.752 -9.430 -2.534 1.00 0.00 O ATOM 337 CG2 THR A 25 20.009 -8.586 -2.688 1.00 0.00 C ATOM 0 H THR A 25 16.365 -6.869 -4.048 1.00 0.00 H new ATOM 0 HA THR A 25 18.168 -6.854 -1.720 1.00 0.00 H new ATOM 0 HB THR A 25 18.530 -8.537 -4.229 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.097 -10.317 -2.768 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.364 -9.582 -2.951 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.632 -7.838 -3.178 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.065 -8.454 -1.607 1.00 0.00 H new ATOM 345 N LEU A 26 19.656 -5.225 -2.861 1.00 0.00 N ATOM 346 CA LEU A 26 20.469 -4.188 -3.489 1.00 0.00 C ATOM 347 C LEU A 26 21.216 -4.739 -4.699 1.00 0.00 C ATOM 348 O LEU A 26 21.477 -5.938 -4.806 1.00 0.00 O ATOM 349 CB LEU A 26 21.465 -3.613 -2.480 1.00 0.00 C ATOM 350 CG LEU A 26 20.884 -2.671 -1.425 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.978 -2.174 -0.492 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.173 -1.501 -2.088 1.00 0.00 C ATOM 0 H LEU A 26 19.788 -5.312 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 26 19.803 -3.394 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.953 -4.443 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.240 -3.078 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 26 20.155 -3.225 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.546 -1.505 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.442 -3.023 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.732 -1.637 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.766 -0.841 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.881 -0.947 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.362 -1.875 -2.713 1.00 0.00 H new ATOM 364 N PRO A 27 21.569 -3.845 -5.634 1.00 0.00 N ATOM 365 CA PRO A 27 21.264 -2.416 -5.519 1.00 0.00 C ATOM 366 C PRO A 27 19.773 -2.128 -5.668 1.00 0.00 C ATOM 367 O PRO A 27 19.285 -1.089 -5.224 1.00 0.00 O ATOM 368 CB PRO A 27 22.047 -1.791 -6.676 1.00 0.00 C ATOM 369 CG PRO A 27 22.191 -2.889 -7.672 1.00 0.00 C ATOM 370 CD PRO A 27 22.295 -4.160 -6.876 1.00 0.00 C ATOM 0 HA PRO A 27 21.534 -2.019 -4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.515 -0.939 -7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 27 23.019 -1.427 -6.345 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.335 -2.920 -8.346 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.077 -2.742 -8.290 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.845 -5.002 -7.402 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.333 -4.426 -6.678 1.00 0.00 H new ATOM 378 N ASP A 28 19.057 -3.055 -6.294 1.00 0.00 N ATOM 379 CA ASP A 28 17.621 -2.901 -6.500 1.00 0.00 C ATOM 380 C ASP A 28 16.933 -2.452 -5.215 1.00 0.00 C ATOM 381 O ASP A 28 16.639 -3.264 -4.340 1.00 0.00 O ATOM 382 CB ASP A 28 17.011 -4.217 -6.987 1.00 0.00 C ATOM 383 CG ASP A 28 17.299 -4.482 -8.451 1.00 0.00 C ATOM 384 OD1 ASP A 28 18.462 -4.301 -8.869 1.00 0.00 O ATOM 385 OD2 ASP A 28 16.361 -4.869 -9.180 1.00 0.00 O ATOM 0 H ASP A 28 19.447 -3.921 -6.668 1.00 0.00 H new ATOM 0 HA ASP A 28 17.467 -2.135 -7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.403 -5.039 -6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.933 -4.194 -6.830 1.00 0.00 H new ATOM 390 N ASN A 29 16.680 -1.151 -5.109 1.00 0.00 N ATOM 391 CA ASN A 29 16.028 -0.593 -3.930 1.00 0.00 C ATOM 392 C ASN A 29 14.674 0.011 -4.292 1.00 0.00 C ATOM 393 O ASN A 29 14.178 0.903 -3.605 1.00 0.00 O ATOM 394 CB ASN A 29 16.918 0.472 -3.286 1.00 0.00 C ATOM 395 CG ASN A 29 17.324 1.556 -4.265 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.592 1.864 -5.206 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.496 2.141 -4.048 1.00 0.00 N ATOM 0 H ASN A 29 16.917 -0.464 -5.825 1.00 0.00 H new ATOM 0 HA ASN A 29 15.867 -1.402 -3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.390 0.924 -2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.812 -0.002 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.822 2.877 -4.674 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.070 1.854 -3.255 1.00 0.00 H new ATOM 404 N GLU A 30 14.083 -0.483 -5.376 1.00 0.00 N ATOM 405 CA GLU A 30 12.787 0.008 -5.828 1.00 0.00 C ATOM 406 C GLU A 30 11.726 -1.084 -5.731 1.00 0.00 C ATOM 407 O GLU A 30 11.980 -2.243 -6.061 1.00 0.00 O ATOM 408 CB GLU A 30 12.883 0.514 -7.270 1.00 0.00 C ATOM 409 CG GLU A 30 13.863 1.661 -7.448 1.00 0.00 C ATOM 410 CD GLU A 30 13.731 2.336 -8.800 1.00 0.00 C ATOM 411 OE1 GLU A 30 13.384 1.642 -9.779 1.00 0.00 O ATOM 412 OE2 GLU A 30 13.974 3.558 -8.878 1.00 0.00 O ATOM 0 H GLU A 30 14.481 -1.222 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 30 12.494 0.833 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.181 -0.311 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.895 0.837 -7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.701 2.398 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.880 1.287 -7.331 1.00 0.00 H new ATOM 419 N VAL A 31 10.536 -0.707 -5.274 1.00 0.00 N ATOM 420 CA VAL A 31 9.436 -1.654 -5.132 1.00 0.00 C ATOM 421 C VAL A 31 8.101 -1.000 -5.470 1.00 0.00 C ATOM 422 O VAL A 31 7.892 0.182 -5.199 1.00 0.00 O ATOM 423 CB VAL A 31 9.368 -2.226 -3.704 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.485 -1.110 -2.676 1.00 0.00 C ATOM 425 CG2 VAL A 31 8.081 -3.012 -3.506 1.00 0.00 C ATOM 0 H VAL A 31 10.309 0.248 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 31 9.627 -2.467 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 31 10.208 -2.907 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.435 -1.533 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.437 -0.594 -2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.667 -0.402 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.050 -3.409 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.226 -2.356 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.044 -3.835 -4.219 1.00 0.00 H new ATOM 435 N GLU A 32 7.201 -1.777 -6.064 1.00 0.00 N ATOM 436 CA GLU A 32 5.886 -1.272 -6.439 1.00 0.00 C ATOM 437 C GLU A 32 4.781 -2.066 -5.748 1.00 0.00 C ATOM 438 O GLU A 32 4.524 -3.221 -6.090 1.00 0.00 O ATOM 439 CB GLU A 32 5.704 -1.339 -7.957 1.00 0.00 C ATOM 440 CG GLU A 32 4.259 -1.192 -8.404 1.00 0.00 C ATOM 441 CD GLU A 32 4.135 -0.855 -9.877 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.138 -0.405 -10.470 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.034 -1.042 -10.437 1.00 0.00 O ATOM 0 H GLU A 32 7.358 -2.758 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 32 5.819 -0.233 -6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.301 -0.554 -8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.093 -2.291 -8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.724 -2.120 -8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.778 -0.411 -7.815 1.00 0.00 H new ATOM 450 N LEU A 33 4.131 -1.439 -4.774 1.00 0.00 N ATOM 451 CA LEU A 33 3.053 -2.085 -4.034 1.00 0.00 C ATOM 452 C LEU A 33 1.695 -1.741 -4.636 1.00 0.00 C ATOM 453 O LEU A 33 1.528 -0.693 -5.259 1.00 0.00 O ATOM 454 CB LEU A 33 3.093 -1.663 -2.564 1.00 0.00 C ATOM 455 CG LEU A 33 4.472 -1.663 -1.903 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.541 -0.605 -0.812 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.791 -3.039 -1.335 1.00 0.00 C ATOM 0 H LEU A 33 4.332 -0.484 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 33 3.196 -3.163 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.673 -0.660 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.441 -2.328 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 33 5.217 -1.423 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.529 -0.620 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.357 0.378 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.786 -0.814 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.776 -3.021 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.042 -3.308 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.784 -3.775 -2.139 1.00 0.00 H new ATOM 469 N LYS A 34 0.726 -2.630 -4.446 1.00 0.00 N ATOM 470 CA LYS A 34 -0.619 -2.421 -4.967 1.00 0.00 C ATOM 471 C LYS A 34 -1.670 -2.773 -3.919 1.00 0.00 C ATOM 472 O LYS A 34 -1.586 -3.814 -3.268 1.00 0.00 O ATOM 473 CB LYS A 34 -0.838 -3.263 -6.226 1.00 0.00 C ATOM 474 CG LYS A 34 -2.177 -3.016 -6.898 1.00 0.00 C ATOM 475 CD LYS A 34 -2.241 -3.665 -8.270 1.00 0.00 C ATOM 476 CE LYS A 34 -3.664 -3.703 -8.804 1.00 0.00 C ATOM 477 NZ LYS A 34 -3.699 -3.732 -10.292 1.00 0.00 N ATOM 0 H LYS A 34 0.848 -3.504 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.723 -1.366 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.040 -3.052 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.761 -4.318 -5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.978 -3.409 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.344 -1.943 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.606 -3.114 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.846 -4.679 -8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.175 -4.582 -8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.210 -2.830 -8.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.687 -3.757 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.234 -2.881 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.201 -4.578 -10.635 1.00 0.00 H new ATOM 491 N ALA A 35 -2.659 -1.899 -3.762 1.00 0.00 N ATOM 492 CA ALA A 35 -3.727 -2.120 -2.796 1.00 0.00 C ATOM 493 C ALA A 35 -4.968 -2.694 -3.471 1.00 0.00 C ATOM 494 O ALA A 35 -5.636 -2.012 -4.249 1.00 0.00 O ATOM 495 CB ALA A 35 -4.067 -0.821 -2.079 1.00 0.00 C ATOM 0 H ALA A 35 -2.742 -1.031 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.376 -2.846 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.866 -1.001 -1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.185 -0.452 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.394 -0.078 -2.807 1.00 0.00 H new ATOM 501 N PHE A 36 -5.272 -3.952 -3.169 1.00 0.00 N ATOM 502 CA PHE A 36 -6.432 -4.618 -3.748 1.00 0.00 C ATOM 503 C PHE A 36 -7.670 -4.407 -2.881 1.00 0.00 C ATOM 504 O PHE A 36 -7.696 -4.790 -1.712 1.00 0.00 O ATOM 505 CB PHE A 36 -6.159 -6.115 -3.911 1.00 0.00 C ATOM 506 CG PHE A 36 -5.396 -6.453 -5.159 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.059 -6.656 -6.359 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.015 -6.568 -5.133 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.359 -6.966 -7.510 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.310 -6.878 -6.281 1.00 0.00 C ATOM 511 CZ PHE A 36 -3.983 -7.079 -7.470 1.00 0.00 C ATOM 0 H PHE A 36 -4.731 -4.530 -2.526 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.618 -4.181 -4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.600 -6.470 -3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.108 -6.650 -3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.135 -6.571 -6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.484 -6.414 -4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.887 -7.120 -8.439 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.234 -6.963 -6.248 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.434 -7.324 -8.367 1.00 0.00 H new ATOM 521 N VAL A 37 -8.696 -3.793 -3.464 1.00 0.00 N ATOM 522 CA VAL A 37 -9.937 -3.531 -2.746 1.00 0.00 C ATOM 523 C VAL A 37 -11.102 -4.294 -3.366 1.00 0.00 C ATOM 524 O VAL A 37 -11.422 -4.113 -4.540 1.00 0.00 O ATOM 525 CB VAL A 37 -10.272 -2.027 -2.734 1.00 0.00 C ATOM 526 CG1 VAL A 37 -11.590 -1.779 -2.017 1.00 0.00 C ATOM 527 CG2 VAL A 37 -9.145 -1.236 -2.087 1.00 0.00 C ATOM 0 H VAL A 37 -8.691 -3.468 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.787 -3.871 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.378 -1.687 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.810 -0.711 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.389 -2.315 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.517 -2.133 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.398 -0.176 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.005 -1.576 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.224 -1.389 -2.649 1.00 0.00 H new ATOM 537 N ALA A 38 -11.734 -5.149 -2.567 1.00 0.00 N ATOM 538 CA ALA A 38 -12.865 -5.939 -3.036 1.00 0.00 C ATOM 539 C ALA A 38 -14.128 -5.612 -2.246 1.00 0.00 C ATOM 540 O ALA A 38 -14.102 -5.456 -1.025 1.00 0.00 O ATOM 541 CB ALA A 38 -12.549 -7.424 -2.939 1.00 0.00 C ATOM 0 H ALA A 38 -11.481 -5.311 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.045 -5.685 -4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.403 -8.002 -3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.678 -7.651 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.340 -7.684 -1.901 1.00 0.00 H new ATOM 547 N PRO A 39 -15.261 -5.504 -2.957 1.00 0.00 N ATOM 548 CA PRO A 39 -15.303 -5.687 -4.411 1.00 0.00 C ATOM 549 C PRO A 39 -14.611 -4.553 -5.158 1.00 0.00 C ATOM 550 O PRO A 39 -14.347 -3.493 -4.591 1.00 0.00 O ATOM 551 CB PRO A 39 -16.802 -5.697 -4.723 1.00 0.00 C ATOM 552 CG PRO A 39 -17.425 -4.923 -3.614 1.00 0.00 C ATOM 553 CD PRO A 39 -16.587 -5.196 -2.396 1.00 0.00 C ATOM 0 HA PRO A 39 -14.782 -6.592 -4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.008 -5.239 -5.690 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.191 -6.714 -4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.443 -3.858 -3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.458 -5.233 -3.454 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.551 -4.333 -1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.981 -6.030 -1.815 1.00 0.00 H new ATOM 561 N ALA A 40 -14.320 -4.782 -6.434 1.00 0.00 N ATOM 562 CA ALA A 40 -13.660 -3.778 -7.260 1.00 0.00 C ATOM 563 C ALA A 40 -14.630 -2.669 -7.654 1.00 0.00 C ATOM 564 O ALA A 40 -15.797 -2.911 -7.960 1.00 0.00 O ATOM 565 CB ALA A 40 -13.062 -4.424 -8.500 1.00 0.00 C ATOM 0 H ALA A 40 -14.531 -5.654 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.857 -3.332 -6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.573 -3.662 -9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.331 -5.176 -8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.853 -4.898 -9.081 1.00 0.00 H new ATOM 571 N PRO A 41 -14.137 -1.421 -7.647 1.00 0.00 N ATOM 572 CA PRO A 41 -14.944 -0.250 -8.002 1.00 0.00 C ATOM 573 C PRO A 41 -15.288 -0.210 -9.487 1.00 0.00 C ATOM 574 O PRO A 41 -14.519 -0.657 -10.339 1.00 0.00 O ATOM 575 CB PRO A 41 -14.040 0.929 -7.631 1.00 0.00 C ATOM 576 CG PRO A 41 -12.656 0.384 -7.709 1.00 0.00 C ATOM 577 CD PRO A 41 -12.755 -1.058 -7.293 1.00 0.00 C ATOM 0 HA PRO A 41 -15.905 -0.247 -7.488 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.176 1.764 -8.318 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.264 1.300 -6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.258 0.472 -8.720 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.982 0.934 -7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.029 -1.679 -7.819 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.567 -1.182 -6.226 1.00 0.00 H new ATOM 585 N PRO A 42 -16.470 0.336 -9.808 1.00 0.00 N ATOM 586 CA PRO A 42 -16.941 0.447 -11.191 1.00 0.00 C ATOM 587 C PRO A 42 -16.142 1.466 -11.996 1.00 0.00 C ATOM 588 O PRO A 42 -15.099 1.945 -11.550 1.00 0.00 O ATOM 589 CB PRO A 42 -18.392 0.910 -11.035 1.00 0.00 C ATOM 590 CG PRO A 42 -18.429 1.605 -9.718 1.00 0.00 C ATOM 591 CD PRO A 42 -17.437 0.888 -8.844 1.00 0.00 C ATOM 0 HA PRO A 42 -16.834 -0.492 -11.734 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.683 1.580 -11.844 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.081 0.066 -11.057 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.166 2.657 -9.825 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.429 1.568 -9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -16.958 1.567 -8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -17.913 0.102 -8.257 1.00 0.00 H new ATOM 599 N VAL A 43 -16.636 1.794 -13.186 1.00 0.00 N ATOM 600 CA VAL A 43 -15.968 2.757 -14.053 1.00 0.00 C ATOM 601 C VAL A 43 -16.240 4.187 -13.598 1.00 0.00 C ATOM 602 O VAL A 43 -15.448 5.092 -13.858 1.00 0.00 O ATOM 603 CB VAL A 43 -16.419 2.601 -15.517 1.00 0.00 C ATOM 604 CG1 VAL A 43 -17.930 2.743 -15.629 1.00 0.00 C ATOM 605 CG2 VAL A 43 -15.714 3.618 -16.402 1.00 0.00 C ATOM 0 H VAL A 43 -17.497 1.406 -13.572 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.899 2.555 -13.987 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.145 1.603 -15.859 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -18.230 2.630 -16.671 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.413 1.974 -15.027 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.231 3.727 -15.270 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -16.044 3.494 -17.433 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.956 4.625 -16.062 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.636 3.465 -16.345 1.00 0.00 H new ATOM 615 N GLU A 44 -17.365 4.381 -12.916 1.00 0.00 N ATOM 616 CA GLU A 44 -17.740 5.702 -12.425 1.00 0.00 C ATOM 617 C GLU A 44 -17.231 5.919 -11.003 1.00 0.00 C ATOM 618 O GLU A 44 -16.347 6.742 -10.766 1.00 0.00 O ATOM 619 CB GLU A 44 -19.260 5.872 -12.466 1.00 0.00 C ATOM 620 CG GLU A 44 -19.839 5.834 -13.870 1.00 0.00 C ATOM 621 CD GLU A 44 -21.341 5.623 -13.877 1.00 0.00 C ATOM 622 OE1 GLU A 44 -21.780 4.481 -13.625 1.00 0.00 O ATOM 623 OE2 GLU A 44 -22.077 6.599 -14.133 1.00 0.00 O ATOM 0 H GLU A 44 -18.031 3.642 -12.691 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.280 6.447 -13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.721 5.084 -11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.524 6.821 -11.999 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.605 6.768 -14.381 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.361 5.033 -14.434 1.00 0.00 H new ATOM 630 N THR A 45 -17.797 5.174 -10.058 1.00 0.00 N ATOM 631 CA THR A 45 -17.403 5.285 -8.659 1.00 0.00 C ATOM 632 C THR A 45 -15.951 4.865 -8.462 1.00 0.00 C ATOM 633 O THR A 45 -15.470 3.932 -9.106 1.00 0.00 O ATOM 634 CB THR A 45 -18.302 4.423 -7.753 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.680 4.719 -8.006 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.987 4.671 -6.285 1.00 0.00 C ATOM 0 H THR A 45 -18.530 4.487 -10.236 1.00 0.00 H new ATOM 0 HA THR A 45 -17.516 6.333 -8.380 1.00 0.00 H new ATOM 0 HB THR A 45 -18.108 3.374 -7.978 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.245 4.166 -7.427 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.634 4.051 -5.664 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.945 4.418 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 45 -18.156 5.722 -6.049 1.00 0.00 H new ATOM 644 N THR A 46 -15.256 5.559 -7.566 1.00 0.00 N ATOM 645 CA THR A 46 -13.858 5.258 -7.284 1.00 0.00 C ATOM 646 C THR A 46 -13.534 5.480 -5.811 1.00 0.00 C ATOM 647 O THR A 46 -14.192 6.269 -5.133 1.00 0.00 O ATOM 648 CB THR A 46 -12.913 6.122 -8.141 1.00 0.00 C ATOM 649 OG1 THR A 46 -11.553 5.746 -7.903 1.00 0.00 O ATOM 650 CG2 THR A 46 -13.098 7.600 -7.828 1.00 0.00 C ATOM 0 H THR A 46 -15.639 6.333 -7.023 1.00 0.00 H new ATOM 0 HA THR A 46 -13.705 4.208 -7.533 1.00 0.00 H new ATOM 0 HB THR A 46 -13.157 5.955 -9.190 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.960 6.299 -8.453 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.420 8.190 -8.445 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.127 7.891 -8.039 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.879 7.779 -6.775 1.00 0.00 H new ATOM 658 N TYR A 47 -12.517 4.779 -5.322 1.00 0.00 N ATOM 659 CA TYR A 47 -12.107 4.898 -3.928 1.00 0.00 C ATOM 660 C TYR A 47 -10.810 5.691 -3.808 1.00 0.00 C ATOM 661 O TYR A 47 -10.055 5.819 -4.771 1.00 0.00 O ATOM 662 CB TYR A 47 -11.930 3.511 -3.307 1.00 0.00 C ATOM 663 CG TYR A 47 -13.113 2.595 -3.522 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.405 3.016 -3.229 1.00 0.00 C ATOM 665 CD2 TYR A 47 -12.940 1.309 -4.019 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.489 2.182 -3.422 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.019 0.469 -4.217 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.291 0.910 -3.917 1.00 0.00 C ATOM 669 OH TYR A 47 -16.368 0.077 -4.113 1.00 0.00 O ATOM 0 H TYR A 47 -11.962 4.122 -5.870 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.889 5.433 -3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.039 3.045 -3.728 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.756 3.621 -2.237 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.564 4.012 -2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.945 0.960 -4.254 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.486 2.524 -3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -13.867 -0.528 -4.605 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.057 -0.782 -4.467 1.00 0.00 H new ATOM 679 N ASN A 48 -10.558 6.223 -2.616 1.00 0.00 N ATOM 680 CA ASN A 48 -9.352 7.005 -2.367 1.00 0.00 C ATOM 681 C ASN A 48 -8.244 6.128 -1.791 1.00 0.00 C ATOM 682 O ASN A 48 -8.443 5.434 -0.794 1.00 0.00 O ATOM 683 CB ASN A 48 -9.655 8.158 -1.409 1.00 0.00 C ATOM 684 CG ASN A 48 -10.497 9.241 -2.056 1.00 0.00 C ATOM 685 OD1 ASN A 48 -10.045 9.933 -2.968 1.00 0.00 O ATOM 686 ND2 ASN A 48 -11.730 9.392 -1.584 1.00 0.00 N ATOM 0 H ASN A 48 -11.173 6.127 -1.808 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.011 7.413 -3.319 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.176 7.772 -0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.718 8.591 -1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.344 10.104 -1.979 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.063 8.795 -0.827 1.00 0.00 H new ATOM 693 N TYR A 49 -7.078 6.165 -2.425 1.00 0.00 N ATOM 694 CA TYR A 49 -5.939 5.373 -1.977 1.00 0.00 C ATOM 695 C TYR A 49 -4.925 6.244 -1.240 1.00 0.00 C ATOM 696 O TYR A 49 -4.215 7.041 -1.853 1.00 0.00 O ATOM 697 CB TYR A 49 -5.268 4.687 -3.168 1.00 0.00 C ATOM 698 CG TYR A 49 -6.195 3.779 -3.944 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.456 2.485 -3.510 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.808 4.214 -5.112 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.302 1.652 -4.217 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.657 3.389 -5.824 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.900 2.108 -5.373 1.00 0.00 C ATOM 704 OH TYR A 49 -8.743 1.282 -6.080 1.00 0.00 O ATOM 0 H TYR A 49 -6.896 6.735 -3.251 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.307 4.613 -1.288 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.873 5.449 -3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.418 4.105 -2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.990 2.124 -2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.618 5.215 -5.470 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.494 0.649 -3.866 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.128 3.745 -6.729 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.081 1.757 -6.868 1.00 0.00 H new ATOM 714 N GLU A 50 -4.864 6.084 0.078 1.00 0.00 N ATOM 715 CA GLU A 50 -3.938 6.855 0.899 1.00 0.00 C ATOM 716 C GLU A 50 -2.968 5.936 1.635 1.00 0.00 C ATOM 717 O GLU A 50 -3.383 5.026 2.353 1.00 0.00 O ATOM 718 CB GLU A 50 -4.707 7.714 1.905 1.00 0.00 C ATOM 719 CG GLU A 50 -3.830 8.696 2.663 1.00 0.00 C ATOM 720 CD GLU A 50 -3.749 10.050 1.985 1.00 0.00 C ATOM 721 OE1 GLU A 50 -4.702 10.411 1.264 1.00 0.00 O ATOM 722 OE2 GLU A 50 -2.731 10.748 2.175 1.00 0.00 O ATOM 0 H GLU A 50 -5.445 5.428 0.600 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.364 7.506 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.485 8.266 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.208 7.061 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.221 8.822 3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.826 8.282 2.759 1.00 0.00 H new ATOM 729 N TRP A 51 -1.676 6.180 1.451 1.00 0.00 N ATOM 730 CA TRP A 51 -0.646 5.374 2.097 1.00 0.00 C ATOM 731 C TRP A 51 0.061 6.168 3.190 1.00 0.00 C ATOM 732 O TRP A 51 0.110 7.397 3.144 1.00 0.00 O ATOM 733 CB TRP A 51 0.372 4.887 1.065 1.00 0.00 C ATOM 734 CG TRP A 51 -0.185 3.867 0.118 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.864 4.110 -1.042 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.111 2.444 0.251 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.217 2.923 -1.637 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.766 1.886 -0.864 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.446 1.586 1.204 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.878 0.511 -1.050 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.334 0.221 1.018 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.324 -0.306 -0.102 1.00 0.00 C ATOM 0 H TRP A 51 -1.316 6.929 0.860 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.130 4.511 2.555 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.737 5.741 0.495 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.230 4.460 1.585 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -1.090 5.091 -1.434 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.732 2.829 -2.513 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.955 1.983 2.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.384 0.103 -1.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.761 -0.451 1.748 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.395 -1.377 -0.219 1.00 0.00 H new ATOM 753 N ASN A 52 0.607 5.459 4.172 1.00 0.00 N ATOM 754 CA ASN A 52 1.311 6.098 5.277 1.00 0.00 C ATOM 755 C ASN A 52 2.270 5.121 5.951 1.00 0.00 C ATOM 756 O ASN A 52 1.949 3.946 6.133 1.00 0.00 O ATOM 757 CB ASN A 52 0.311 6.638 6.302 1.00 0.00 C ATOM 758 CG ASN A 52 -0.269 7.978 5.894 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.252 9.031 6.262 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.355 7.944 5.130 1.00 0.00 N ATOM 0 H ASN A 52 0.575 4.441 4.225 1.00 0.00 H new ATOM 0 HA ASN A 52 1.891 6.927 4.873 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.498 5.919 6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.804 6.738 7.269 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.791 8.814 4.824 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.753 7.048 4.849 1.00 0.00 H new ATOM 767 N LEU A 53 3.447 5.614 6.318 1.00 0.00 N ATOM 768 CA LEU A 53 4.453 4.785 6.973 1.00 0.00 C ATOM 769 C LEU A 53 4.242 4.762 8.483 1.00 0.00 C ATOM 770 O LEU A 53 4.080 5.808 9.113 1.00 0.00 O ATOM 771 CB LEU A 53 5.856 5.301 6.650 1.00 0.00 C ATOM 772 CG LEU A 53 7.016 4.391 7.056 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.772 2.969 6.576 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.331 4.924 6.505 1.00 0.00 C ATOM 0 H LEU A 53 3.729 6.584 6.173 1.00 0.00 H new ATOM 0 HA LEU A 53 4.351 3.767 6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.918 5.478 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.988 6.266 7.140 1.00 0.00 H new ATOM 0 HG LEU A 53 7.080 4.379 8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.608 2.336 6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.852 2.588 7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.681 2.962 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.145 4.264 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.279 4.966 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.512 5.924 6.899 1.00 0.00 H new ATOM 786 N ILE A 54 4.247 3.564 9.059 1.00 0.00 N ATOM 787 CA ILE A 54 4.060 3.407 10.495 1.00 0.00 C ATOM 788 C ILE A 54 5.234 2.665 11.125 1.00 0.00 C ATOM 789 O ILE A 54 5.732 3.053 12.182 1.00 0.00 O ATOM 790 CB ILE A 54 2.758 2.648 10.813 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.652 1.389 9.950 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.553 3.550 10.595 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.258 0.804 9.904 1.00 0.00 C ATOM 0 H ILE A 54 4.379 2.689 8.552 1.00 0.00 H new ATOM 0 HA ILE A 54 3.999 4.410 10.917 1.00 0.00 H new ATOM 0 HB ILE A 54 2.777 2.347 11.860 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.972 1.626 8.935 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.341 0.636 10.334 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.640 3.000 10.824 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.626 4.419 11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.528 3.879 9.556 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.257 -0.086 9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.943 0.535 10.912 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.568 1.540 9.492 1.00 0.00 H new ATOM 805 N SER A 55 5.674 1.597 10.467 1.00 0.00 N ATOM 806 CA SER A 55 6.789 0.800 10.963 1.00 0.00 C ATOM 807 C SER A 55 8.013 0.960 10.066 1.00 0.00 C ATOM 808 O SER A 55 8.016 0.521 8.915 1.00 0.00 O ATOM 809 CB SER A 55 6.392 -0.676 11.044 1.00 0.00 C ATOM 810 OG SER A 55 7.413 -1.445 11.656 1.00 0.00 O ATOM 0 H SER A 55 5.275 1.264 9.589 1.00 0.00 H new ATOM 0 HA SER A 55 7.042 1.157 11.961 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.467 -0.777 11.611 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.195 -1.058 10.043 1.00 0.00 H new ATOM 0 HG SER A 55 7.135 -2.384 11.698 1.00 0.00 H new ATOM 816 N HIS A 56 9.053 1.592 10.602 1.00 0.00 N ATOM 817 CA HIS A 56 10.284 1.810 9.851 1.00 0.00 C ATOM 818 C HIS A 56 11.420 2.228 10.780 1.00 0.00 C ATOM 819 O HIS A 56 11.204 2.826 11.834 1.00 0.00 O ATOM 820 CB HIS A 56 10.069 2.878 8.777 1.00 0.00 C ATOM 821 CG HIS A 56 9.799 4.241 9.334 1.00 0.00 C ATOM 822 ND1 HIS A 56 10.726 5.261 9.311 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.696 4.751 9.930 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.206 6.339 9.870 1.00 0.00 C ATOM 825 NE2 HIS A 56 8.974 6.056 10.254 1.00 0.00 N ATOM 0 H HIS A 56 9.067 1.962 11.553 1.00 0.00 H new ATOM 0 HA HIS A 56 10.558 0.871 9.370 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.952 2.923 8.139 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.233 2.581 8.143 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.769 4.229 10.116 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.703 7.290 9.992 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.334 6.702 10.716 1.00 0.00 H new ATOM 834 N PRO A 57 12.660 1.906 10.382 1.00 0.00 N ATOM 835 CA PRO A 57 13.854 2.238 11.164 1.00 0.00 C ATOM 836 C PRO A 57 14.141 3.736 11.176 1.00 0.00 C ATOM 837 O PRO A 57 13.956 4.422 10.171 1.00 0.00 O ATOM 838 CB PRO A 57 14.973 1.485 10.441 1.00 0.00 C ATOM 839 CG PRO A 57 14.485 1.334 9.042 1.00 0.00 C ATOM 840 CD PRO A 57 12.991 1.193 9.136 1.00 0.00 C ATOM 0 HA PRO A 57 13.744 1.961 12.213 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.910 2.040 10.476 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.160 0.515 10.902 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.758 2.200 8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.930 0.460 8.566 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.490 1.635 8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.688 0.147 9.179 1.00 0.00 H new ATOM 848 N THR A 58 14.596 4.237 12.321 1.00 0.00 N ATOM 849 CA THR A 58 14.908 5.654 12.463 1.00 0.00 C ATOM 850 C THR A 58 15.947 6.094 11.438 1.00 0.00 C ATOM 851 O THR A 58 15.946 7.242 10.993 1.00 0.00 O ATOM 852 CB THR A 58 15.431 5.974 13.877 1.00 0.00 C ATOM 853 OG1 THR A 58 15.256 7.367 14.160 1.00 0.00 O ATOM 854 CG2 THR A 58 16.901 5.606 14.006 1.00 0.00 C ATOM 0 H THR A 58 14.756 3.683 13.162 1.00 0.00 H new ATOM 0 HA THR A 58 13.980 6.201 12.293 1.00 0.00 H new ATOM 0 HB THR A 58 14.861 5.383 14.594 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.589 7.562 15.061 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.248 5.841 15.012 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.027 4.540 13.818 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.483 6.173 13.280 1.00 0.00 H new ATOM 862 N ASP A 59 16.831 5.175 11.067 1.00 0.00 N ATOM 863 CA ASP A 59 17.875 5.468 10.092 1.00 0.00 C ATOM 864 C ASP A 59 17.269 5.853 8.746 1.00 0.00 C ATOM 865 O ASP A 59 17.828 6.667 8.012 1.00 0.00 O ATOM 866 CB ASP A 59 18.798 4.260 9.923 1.00 0.00 C ATOM 867 CG ASP A 59 20.181 4.652 9.441 1.00 0.00 C ATOM 868 OD1 ASP A 59 20.999 5.088 10.278 1.00 0.00 O ATOM 869 OD2 ASP A 59 20.446 4.523 8.227 1.00 0.00 O ATOM 0 H ASP A 59 16.846 4.221 11.427 1.00 0.00 H new ATOM 0 HA ASP A 59 18.457 6.312 10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.883 3.735 10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.353 3.563 9.213 1.00 0.00 H new ATOM 874 N TYR A 60 16.123 5.261 8.428 1.00 0.00 N ATOM 875 CA TYR A 60 15.442 5.539 7.169 1.00 0.00 C ATOM 876 C TYR A 60 15.451 7.034 6.864 1.00 0.00 C ATOM 877 O TYR A 60 15.380 7.863 7.770 1.00 0.00 O ATOM 878 CB TYR A 60 14.002 5.026 7.220 1.00 0.00 C ATOM 879 CG TYR A 60 13.221 5.289 5.952 1.00 0.00 C ATOM 880 CD1 TYR A 60 13.711 4.889 4.715 1.00 0.00 C ATOM 881 CD2 TYR A 60 11.993 5.939 5.991 1.00 0.00 C ATOM 882 CE1 TYR A 60 13.001 5.128 3.554 1.00 0.00 C ATOM 883 CE2 TYR A 60 11.276 6.180 4.836 1.00 0.00 C ATOM 884 CZ TYR A 60 11.784 5.774 3.620 1.00 0.00 C ATOM 885 OH TYR A 60 11.073 6.014 2.466 1.00 0.00 O ATOM 0 H TYR A 60 15.646 4.585 9.025 1.00 0.00 H new ATOM 0 HA TYR A 60 15.977 5.021 6.373 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.014 3.953 7.414 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.487 5.496 8.058 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.663 4.383 4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.593 6.261 6.941 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.397 4.811 2.600 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.322 6.684 4.885 1.00 0.00 H new ATOM 0 HH TYR A 60 10.238 6.476 2.687 1.00 0.00 H new ATOM 934 N ILE A 64 8.030 9.044 1.317 1.00 0.00 N ATOM 935 CA ILE A 64 6.927 8.505 0.531 1.00 0.00 C ATOM 936 C ILE A 64 5.935 9.600 0.154 1.00 0.00 C ATOM 937 O ILE A 64 5.964 10.699 0.709 1.00 0.00 O ATOM 938 CB ILE A 64 6.182 7.394 1.294 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.176 6.364 1.836 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.158 6.725 0.390 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.716 5.694 3.112 1.00 0.00 C ATOM 0 HA ILE A 64 7.362 8.083 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 64 5.655 7.842 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.347 5.602 1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.133 6.854 2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.640 5.942 0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.436 7.466 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.664 6.287 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.469 4.977 3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.572 6.447 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.775 5.175 2.931 1.00 0.00 H new ATOM 953 N LYS A 65 5.055 9.293 -0.793 1.00 0.00 N ATOM 954 CA LYS A 65 4.050 10.248 -1.244 1.00 0.00 C ATOM 955 C LYS A 65 2.644 9.748 -0.930 1.00 0.00 C ATOM 956 O LYS A 65 1.715 9.948 -1.712 1.00 0.00 O ATOM 957 CB LYS A 65 4.190 10.496 -2.747 1.00 0.00 C ATOM 958 CG LYS A 65 5.544 11.056 -3.148 1.00 0.00 C ATOM 959 CD LYS A 65 5.549 12.575 -3.124 1.00 0.00 C ATOM 960 CE LYS A 65 6.965 13.128 -3.088 1.00 0.00 C ATOM 961 NZ LYS A 65 7.617 13.071 -4.426 1.00 0.00 N ATOM 0 H LYS A 65 5.018 8.389 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 65 4.211 11.185 -0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.022 9.559 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.411 11.188 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.310 10.678 -2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.802 10.706 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.031 12.955 -4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.997 12.928 -2.253 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.943 14.160 -2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.558 12.561 -2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.580 13.457 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.661 12.083 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.065 13.633 -5.105 1.00 0.00 H new ATOM 975 N GLN A 66 2.495 9.097 0.220 1.00 0.00 N ATOM 976 CA GLN A 66 1.201 8.569 0.637 1.00 0.00 C ATOM 977 C GLN A 66 0.480 7.908 -0.534 1.00 0.00 C ATOM 978 O GLN A 66 -0.746 7.813 -0.547 1.00 0.00 O ATOM 979 CB GLN A 66 0.334 9.687 1.219 1.00 0.00 C ATOM 980 CG GLN A 66 0.805 10.176 2.579 1.00 0.00 C ATOM 981 CD GLN A 66 0.457 11.630 2.830 1.00 0.00 C ATOM 982 OE1 GLN A 66 -0.623 11.944 3.331 1.00 0.00 O ATOM 983 NE2 GLN A 66 1.372 12.527 2.481 1.00 0.00 N ATOM 0 H GLN A 66 3.254 8.923 0.879 1.00 0.00 H new ATOM 0 HA GLN A 66 1.375 7.816 1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.323 10.527 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.693 9.332 1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.356 9.559 3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.885 10.047 2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.254 12.222 2.069 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.193 13.521 2.625 1.00 0.00 H new ATOM 992 N GLY A 67 1.252 7.453 -1.516 1.00 0.00 N ATOM 993 CA GLY A 67 0.669 6.807 -2.678 1.00 0.00 C ATOM 994 C GLY A 67 -0.705 7.352 -3.016 1.00 0.00 C ATOM 995 O GLY A 67 -1.718 6.699 -2.767 1.00 0.00 O ATOM 0 H GLY A 67 2.270 7.520 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.330 6.941 -3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.596 5.735 -2.496 1.00 0.00 H new ATOM 999 N HIS A 68 -0.739 8.553 -3.584 1.00 0.00 N ATOM 1000 CA HIS A 68 -2.000 9.186 -3.956 1.00 0.00 C ATOM 1001 C HIS A 68 -2.845 8.251 -4.816 1.00 0.00 C ATOM 1002 O HIS A 68 -4.049 8.453 -4.973 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.736 10.491 -4.709 1.00 0.00 C ATOM 1004 CG HIS A 68 -0.934 11.484 -3.925 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -1.291 11.911 -2.663 1.00 0.00 N ATOM 1006 CD2 HIS A 68 0.214 12.132 -4.229 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.398 12.780 -2.226 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.526 12.932 -3.157 1.00 0.00 N ATOM 0 H HIS A 68 0.091 9.107 -3.797 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.551 9.407 -3.042 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.212 10.265 -5.638 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.690 10.942 -4.983 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.780 12.038 -5.144 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.420 13.281 -1.270 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.339 13.544 -3.091 1.00 0.00 H new ATOM 1017 N LYS A 69 -2.206 7.227 -5.372 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.897 6.260 -6.216 1.00 0.00 C ATOM 1019 C LYS A 69 -3.028 4.915 -5.507 1.00 0.00 C ATOM 1020 O LYS A 69 -2.642 4.776 -4.347 1.00 0.00 O ATOM 1021 CB LYS A 69 -2.150 6.081 -7.539 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.277 7.271 -8.475 1.00 0.00 C ATOM 1023 CD LYS A 69 -3.692 7.413 -9.009 1.00 0.00 C ATOM 1024 CE LYS A 69 -4.493 8.424 -8.203 1.00 0.00 C ATOM 1025 NZ LYS A 69 -4.408 9.791 -8.788 1.00 0.00 N ATOM 0 H LYS A 69 -1.209 7.046 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.897 6.642 -6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.095 5.905 -7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.528 5.191 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.993 8.182 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.583 7.156 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.658 7.723 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.192 6.445 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.536 8.111 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.125 8.444 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.967 10.451 -8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.415 10.100 -8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.783 9.777 -9.758 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.572 3.930 -6.214 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.752 2.597 -5.651 1.00 0.00 C ATOM 1041 C GLN A 70 -2.416 1.872 -5.530 1.00 0.00 C ATOM 1042 O GLN A 70 -2.242 1.004 -4.674 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.712 1.780 -6.518 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.781 0.311 -6.131 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.246 -0.572 -7.273 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -5.015 -0.266 -8.443 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.906 -1.674 -6.937 1.00 0.00 N ATOM 0 H GLN A 70 -3.895 4.029 -7.176 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.177 2.706 -4.653 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.710 2.213 -6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.403 1.858 -7.560 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.797 -0.020 -5.798 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.459 0.193 -5.286 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.075 -1.888 -5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.244 -2.307 -7.662 1.00 0.00 H new ATOM 1056 N THR A 71 -1.472 2.233 -6.394 1.00 0.00 N ATOM 1057 CA THR A 71 -0.151 1.617 -6.385 1.00 0.00 C ATOM 1058 C THR A 71 0.913 2.602 -5.915 1.00 0.00 C ATOM 1059 O THR A 71 0.917 3.766 -6.318 1.00 0.00 O ATOM 1060 CB THR A 71 0.233 1.092 -7.781 1.00 0.00 C ATOM 1061 OG1 THR A 71 -0.318 1.942 -8.793 1.00 0.00 O ATOM 1062 CG2 THR A 71 -0.265 -0.331 -7.981 1.00 0.00 C ATOM 0 H THR A 71 -1.598 2.949 -7.109 1.00 0.00 H new ATOM 0 HA THR A 71 -0.198 0.779 -5.689 1.00 0.00 H new ATOM 0 HB THR A 71 1.320 1.093 -7.858 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.068 1.602 -9.677 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.018 -0.679 -8.974 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.180 -0.981 -7.228 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.351 -0.354 -7.885 1.00 0.00 H new ATOM 1070 N LEU A 72 1.813 2.130 -5.060 1.00 0.00 N ATOM 1071 CA LEU A 72 2.884 2.970 -4.535 1.00 0.00 C ATOM 1072 C LEU A 72 4.249 2.451 -4.974 1.00 0.00 C ATOM 1073 O LEU A 72 4.496 1.245 -4.970 1.00 0.00 O ATOM 1074 CB LEU A 72 2.813 3.025 -3.008 1.00 0.00 C ATOM 1075 CG LEU A 72 3.808 3.962 -2.323 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.435 5.415 -2.577 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.867 3.678 -0.829 1.00 0.00 C ATOM 0 H LEU A 72 1.823 1.170 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 72 2.753 3.975 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.805 3.326 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.967 2.018 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 72 4.797 3.783 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.154 6.067 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.445 5.611 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.438 5.609 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.580 4.354 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.880 3.829 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.183 2.647 -0.667 1.00 0.00 H new ATOM 1089 N ASN A 73 5.133 3.369 -5.349 1.00 0.00 N ATOM 1090 CA ASN A 73 6.475 3.004 -5.789 1.00 0.00 C ATOM 1091 C ASN A 73 7.534 3.713 -4.951 1.00 0.00 C ATOM 1092 O ASN A 73 7.520 4.938 -4.819 1.00 0.00 O ATOM 1093 CB ASN A 73 6.661 3.350 -7.267 1.00 0.00 C ATOM 1094 CG ASN A 73 6.291 2.199 -8.182 1.00 0.00 C ATOM 1095 OD1 ASN A 73 7.131 1.679 -8.916 1.00 0.00 O ATOM 1096 ND2 ASN A 73 5.026 1.796 -8.143 1.00 0.00 N ATOM 0 H ASN A 73 4.945 4.371 -5.357 1.00 0.00 H new ATOM 0 HA ASN A 73 6.594 1.929 -5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.049 4.218 -7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.699 3.631 -7.443 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.717 1.026 -8.737 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.363 2.256 -7.519 1.00 0.00 H new ATOM 1103 N LEU A 74 8.453 2.936 -4.388 1.00 0.00 N ATOM 1104 CA LEU A 74 9.521 3.490 -3.563 1.00 0.00 C ATOM 1105 C LEU A 74 10.881 3.282 -4.221 1.00 0.00 C ATOM 1106 O LEU A 74 11.027 2.452 -5.119 1.00 0.00 O ATOM 1107 CB LEU A 74 9.509 2.843 -2.176 1.00 0.00 C ATOM 1108 CG LEU A 74 8.578 3.482 -1.146 1.00 0.00 C ATOM 1109 CD1 LEU A 74 7.139 3.051 -1.386 1.00 0.00 C ATOM 1110 CD2 LEU A 74 9.016 3.121 0.266 1.00 0.00 C ATOM 0 H LEU A 74 8.480 1.921 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 74 9.348 4.561 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.230 1.795 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.524 2.862 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 74 8.635 4.565 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.491 3.516 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.828 3.361 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.065 1.967 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.342 3.585 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.990 2.038 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.031 3.481 0.435 1.00 0.00 H new ATOM 1122 N SER A 75 11.875 4.039 -3.768 1.00 0.00 N ATOM 1123 CA SER A 75 13.223 3.939 -4.314 1.00 0.00 C ATOM 1124 C SER A 75 14.267 4.236 -3.242 1.00 0.00 C ATOM 1125 O SER A 75 13.928 4.520 -2.093 1.00 0.00 O ATOM 1126 CB SER A 75 13.393 4.904 -5.489 1.00 0.00 C ATOM 1127 OG SER A 75 14.681 4.781 -6.067 1.00 0.00 O ATOM 0 H SER A 75 11.772 4.729 -3.024 1.00 0.00 H new ATOM 0 HA SER A 75 13.371 2.918 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.632 4.702 -6.243 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.240 5.928 -5.148 1.00 0.00 H new ATOM 0 HG SER A 75 14.602 4.386 -6.960 1.00 0.00 H new ATOM 1133 N GLN A 76 15.537 4.168 -3.627 1.00 0.00 N ATOM 1134 CA GLN A 76 16.631 4.429 -2.699 1.00 0.00 C ATOM 1135 C GLN A 76 16.298 3.910 -1.304 1.00 0.00 C ATOM 1136 O GLN A 76 16.750 4.462 -0.300 1.00 0.00 O ATOM 1137 CB GLN A 76 16.932 5.928 -2.640 1.00 0.00 C ATOM 1138 CG GLN A 76 17.386 6.510 -3.969 1.00 0.00 C ATOM 1139 CD GLN A 76 17.816 7.960 -3.855 1.00 0.00 C ATOM 1140 OE1 GLN A 76 17.323 8.700 -3.004 1.00 0.00 O ATOM 1141 NE2 GLN A 76 18.741 8.372 -4.713 1.00 0.00 N ATOM 0 H GLN A 76 15.834 3.935 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 76 17.514 3.902 -3.061 1.00 0.00 H new ATOM 0 HB2 GLN A 76 16.039 6.457 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.705 6.106 -1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.216 5.918 -4.356 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.574 6.432 -4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.122 7.724 -5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.071 9.337 -4.683 1.00 0.00 H new ATOM 1150 N LEU A 77 15.504 2.847 -1.249 1.00 0.00 N ATOM 1151 CA LEU A 77 15.109 2.253 0.024 1.00 0.00 C ATOM 1152 C LEU A 77 16.310 1.637 0.734 1.00 0.00 C ATOM 1153 O LEU A 77 17.064 0.865 0.142 1.00 0.00 O ATOM 1154 CB LEU A 77 14.033 1.188 -0.200 1.00 0.00 C ATOM 1155 CG LEU A 77 12.615 1.707 -0.440 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.830 0.735 -1.307 1.00 0.00 C ATOM 1157 CD2 LEU A 77 11.901 1.940 0.883 1.00 0.00 C ATOM 0 H LEU A 77 15.121 2.379 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 77 14.704 3.044 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.325 0.579 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.015 0.530 0.669 1.00 0.00 H new ATOM 0 HG LEU A 77 12.682 2.659 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.823 1.121 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.331 0.618 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.772 -0.233 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.893 2.309 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.845 1.003 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.452 2.675 1.469 1.00 0.00 H new ATOM 1169 N SER A 78 16.480 1.982 2.006 1.00 0.00 N ATOM 1170 CA SER A 78 17.591 1.464 2.796 1.00 0.00 C ATOM 1171 C SER A 78 17.268 0.077 3.344 1.00 0.00 C ATOM 1172 O SER A 78 16.110 -0.341 3.364 1.00 0.00 O ATOM 1173 CB SER A 78 17.912 2.418 3.949 1.00 0.00 C ATOM 1174 OG SER A 78 19.277 2.328 4.319 1.00 0.00 O ATOM 0 H SER A 78 15.863 2.618 2.512 1.00 0.00 H new ATOM 0 HA SER A 78 18.462 1.385 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.678 3.441 3.655 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.283 2.181 4.807 1.00 0.00 H new ATOM 0 HG SER A 78 19.458 2.948 5.056 1.00 0.00 H new ATOM 1180 N VAL A 79 18.300 -0.633 3.787 1.00 0.00 N ATOM 1181 CA VAL A 79 18.128 -1.972 4.336 1.00 0.00 C ATOM 1182 C VAL A 79 17.380 -1.930 5.664 1.00 0.00 C ATOM 1183 O VAL A 79 17.969 -1.672 6.712 1.00 0.00 O ATOM 1184 CB VAL A 79 19.485 -2.672 4.546 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.287 -4.045 5.169 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.237 -2.779 3.228 1.00 0.00 C ATOM 0 H VAL A 79 19.265 -0.303 3.776 1.00 0.00 H new ATOM 0 HA VAL A 79 17.544 -2.538 3.611 1.00 0.00 H new ATOM 0 HB VAL A 79 20.082 -2.071 5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.256 -4.524 5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.791 -3.939 6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.672 -4.658 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.193 -3.276 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.646 -3.357 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.412 -1.781 2.827 1.00 0.00 H new ATOM 1196 N GLY A 80 16.076 -2.186 5.611 1.00 0.00 N ATOM 1197 CA GLY A 80 15.268 -2.173 6.816 1.00 0.00 C ATOM 1198 C GLY A 80 13.825 -2.553 6.551 1.00 0.00 C ATOM 1199 O GLY A 80 13.437 -2.786 5.405 1.00 0.00 O ATOM 0 H GLY A 80 15.565 -2.402 4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.695 -2.864 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.303 -1.179 7.262 1.00 0.00 H new ATOM 1203 N LEU A 81 13.028 -2.619 7.611 1.00 0.00 N ATOM 1204 CA LEU A 81 11.619 -2.976 7.488 1.00 0.00 C ATOM 1205 C LEU A 81 10.758 -1.733 7.286 1.00 0.00 C ATOM 1206 O LEU A 81 10.991 -0.697 7.908 1.00 0.00 O ATOM 1207 CB LEU A 81 11.154 -3.736 8.732 1.00 0.00 C ATOM 1208 CG LEU A 81 9.673 -4.113 8.773 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.341 -5.094 7.659 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.311 -4.702 10.129 1.00 0.00 C ATOM 0 H LEU A 81 13.333 -2.430 8.566 1.00 0.00 H new ATOM 0 HA LEU A 81 11.508 -3.619 6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.743 -4.649 8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.378 -3.129 9.609 1.00 0.00 H new ATOM 0 HG LEU A 81 9.083 -3.209 8.621 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.283 -5.351 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.563 -4.638 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.939 -5.997 7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.253 -4.965 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.909 -5.595 10.309 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.511 -3.968 10.910 1.00 0.00 H new ATOM 1222 N TYR A 82 9.762 -1.846 6.414 1.00 0.00 N ATOM 1223 CA TYR A 82 8.866 -0.731 6.130 1.00 0.00 C ATOM 1224 C TYR A 82 7.436 -1.221 5.919 1.00 0.00 C ATOM 1225 O TYR A 82 7.135 -1.887 4.928 1.00 0.00 O ATOM 1226 CB TYR A 82 9.343 0.031 4.892 1.00 0.00 C ATOM 1227 CG TYR A 82 10.816 0.368 4.919 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.306 1.367 5.752 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.720 -0.313 4.113 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.651 1.678 5.779 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.067 -0.010 4.134 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.528 0.987 4.969 1.00 0.00 C ATOM 1233 OH TYR A 82 14.869 1.294 4.994 1.00 0.00 O ATOM 0 H TYR A 82 9.555 -2.698 5.892 1.00 0.00 H new ATOM 0 HA TYR A 82 8.878 -0.060 6.989 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.132 -0.566 4.005 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.769 0.953 4.800 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.623 1.909 6.389 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.363 -1.094 3.458 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.015 2.458 6.431 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.755 -0.550 3.501 1.00 0.00 H new ATOM 0 HH TYR A 82 15.392 0.496 4.771 1.00 0.00 H new ATOM 1243 N VAL A 83 6.559 -0.887 6.860 1.00 0.00 N ATOM 1244 CA VAL A 83 5.160 -1.290 6.778 1.00 0.00 C ATOM 1245 C VAL A 83 4.276 -0.125 6.350 1.00 0.00 C ATOM 1246 O VAL A 83 4.059 0.817 7.113 1.00 0.00 O ATOM 1247 CB VAL A 83 4.654 -1.836 8.127 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.240 -2.380 7.986 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.596 -2.907 8.655 1.00 0.00 C ATOM 0 H VAL A 83 6.792 -0.339 7.688 1.00 0.00 H new ATOM 0 HA VAL A 83 5.101 -2.080 6.029 1.00 0.00 H new ATOM 0 HB VAL A 83 4.633 -1.017 8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.899 -2.761 8.949 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.575 -1.582 7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.232 -3.187 7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.223 -3.281 9.608 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.652 -3.727 7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.589 -2.481 8.796 1.00 0.00 H new ATOM 1259 N PHE A 84 3.766 -0.194 5.125 1.00 0.00 N ATOM 1260 CA PHE A 84 2.905 0.856 4.594 1.00 0.00 C ATOM 1261 C PHE A 84 1.434 0.483 4.749 1.00 0.00 C ATOM 1262 O PHE A 84 1.002 -0.585 4.314 1.00 0.00 O ATOM 1263 CB PHE A 84 3.225 1.111 3.119 1.00 0.00 C ATOM 1264 CG PHE A 84 4.693 1.048 2.805 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.521 2.123 3.086 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.244 -0.085 2.230 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.871 2.068 2.797 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.594 -0.146 1.939 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.409 0.932 2.224 1.00 0.00 C ATOM 0 H PHE A 84 3.934 -0.967 4.481 1.00 0.00 H new ATOM 0 HA PHE A 84 3.093 1.767 5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.699 0.376 2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.843 2.092 2.837 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.107 3.013 3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.611 -0.931 2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.506 2.913 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.011 -1.035 1.490 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.464 0.887 1.999 1.00 0.00 H new ATOM 1279 N LYS A 85 0.668 1.371 5.374 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.756 1.138 5.588 1.00 0.00 C ATOM 1281 C LYS A 85 -1.594 1.971 4.625 1.00 0.00 C ATOM 1282 O LYS A 85 -1.570 3.201 4.669 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.137 1.471 7.032 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.610 1.795 7.214 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.913 2.234 8.636 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.676 3.725 8.821 1.00 0.00 C ATOM 1287 NZ LYS A 85 -1.279 4.016 9.247 1.00 0.00 N ATOM 0 H LYS A 85 1.010 2.259 5.741 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.958 0.084 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.878 0.627 7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.543 2.320 7.369 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.898 2.584 6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.209 0.919 6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.949 1.996 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.286 1.676 9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.886 4.245 7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.371 4.114 9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.287 4.438 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.730 3.133 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.843 4.681 8.577 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.337 1.293 3.755 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.185 1.971 2.783 1.00 0.00 C ATOM 1303 C VAL A 86 -4.607 2.131 3.310 1.00 0.00 C ATOM 1304 O VAL A 86 -5.361 1.162 3.401 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.229 1.207 1.446 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.275 -0.294 1.690 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.420 1.657 0.614 1.00 0.00 C ATOM 0 H VAL A 86 -2.368 0.275 3.704 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.749 2.956 2.617 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.320 1.433 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.306 -0.817 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.387 -0.600 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.165 -0.542 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.435 1.107 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.341 1.463 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.338 2.724 0.409 1.00 0.00 H new ATOM 1317 N THR A 87 -4.968 3.363 3.657 1.00 0.00 N ATOM 1318 CA THR A 87 -6.299 3.651 4.177 1.00 0.00 C ATOM 1319 C THR A 87 -7.242 4.089 3.062 1.00 0.00 C ATOM 1320 O THR A 87 -7.062 5.151 2.465 1.00 0.00 O ATOM 1321 CB THR A 87 -6.255 4.747 5.258 1.00 0.00 C ATOM 1322 OG1 THR A 87 -5.141 4.531 6.130 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.544 4.762 6.067 1.00 0.00 C ATOM 0 H THR A 87 -4.357 4.177 3.587 1.00 0.00 H new ATOM 0 HA THR A 87 -6.671 2.728 4.622 1.00 0.00 H new ATOM 0 HB THR A 87 -6.145 5.711 4.762 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.119 5.233 6.813 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.489 5.544 6.824 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.387 4.957 5.404 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.680 3.796 6.553 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.248 3.266 2.785 1.00 0.00 N ATOM 1332 CA VAL A 88 -9.220 3.570 1.742 1.00 0.00 C ATOM 1333 C VAL A 88 -10.638 3.586 2.301 1.00 0.00 C ATOM 1334 O VAL A 88 -11.190 2.543 2.652 1.00 0.00 O ATOM 1335 CB VAL A 88 -9.145 2.551 0.590 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.178 2.876 -0.479 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.744 2.519 -0.003 1.00 0.00 C ATOM 0 H VAL A 88 -8.411 2.383 3.269 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.973 4.560 1.358 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.369 1.561 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.110 2.145 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.176 2.843 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.989 3.873 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.709 1.793 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.489 3.507 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.029 2.234 0.769 1.00 0.00 H new ATOM 1347 N SER A 89 -11.224 4.776 2.381 1.00 0.00 N ATOM 1348 CA SER A 89 -12.578 4.929 2.900 1.00 0.00 C ATOM 1349 C SER A 89 -13.409 5.834 1.995 1.00 0.00 C ATOM 1350 O SER A 89 -12.890 6.776 1.396 1.00 0.00 O ATOM 1351 CB SER A 89 -12.542 5.501 4.318 1.00 0.00 C ATOM 1352 OG SER A 89 -11.358 5.114 4.994 1.00 0.00 O ATOM 0 H SER A 89 -10.782 5.649 2.093 1.00 0.00 H new ATOM 0 HA SER A 89 -13.044 3.944 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.602 6.589 4.276 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.412 5.155 4.875 1.00 0.00 H new ATOM 0 HG SER A 89 -11.592 4.607 5.799 1.00 0.00 H new ATOM 1358 N SER A 90 -14.702 5.541 1.902 1.00 0.00 N ATOM 1359 CA SER A 90 -15.605 6.325 1.067 1.00 0.00 C ATOM 1360 C SER A 90 -16.813 6.798 1.870 1.00 0.00 C ATOM 1361 O SER A 90 -16.975 6.440 3.036 1.00 0.00 O ATOM 1362 CB SER A 90 -16.068 5.500 -0.135 1.00 0.00 C ATOM 1363 OG SER A 90 -14.963 4.974 -0.849 1.00 0.00 O ATOM 0 H SER A 90 -15.148 4.767 2.394 1.00 0.00 H new ATOM 0 HA SER A 90 -15.062 7.200 0.710 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.707 4.685 0.204 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.670 6.123 -0.797 1.00 0.00 H new ATOM 0 HG SER A 90 -14.923 4.003 -0.721 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.658 7.605 1.236 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.851 8.129 1.891 1.00 0.00 C ATOM 1371 C GLU A 91 -19.575 7.028 2.662 1.00 0.00 C ATOM 1372 O GLU A 91 -19.817 7.153 3.862 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.795 8.750 0.860 1.00 0.00 C ATOM 1374 CG GLU A 91 -21.023 9.401 1.473 1.00 0.00 C ATOM 1375 CD GLU A 91 -21.945 10.005 0.432 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -21.451 10.753 -0.437 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -23.162 9.728 0.486 1.00 0.00 O ATOM 0 H GLU A 91 -17.539 7.910 0.270 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.539 8.899 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.249 9.496 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -20.115 7.977 0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.572 8.659 2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.708 10.179 2.169 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.918 5.952 1.963 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.615 4.829 2.580 1.00 0.00 C ATOM 1386 C ASN A 92 -19.747 3.575 2.565 1.00 0.00 C ATOM 1387 O ASN A 92 -20.230 2.477 2.292 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.934 4.559 1.853 1.00 0.00 C ATOM 1389 CG ASN A 92 -21.759 4.480 0.349 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -21.273 3.479 -0.179 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -22.155 5.537 -0.349 1.00 0.00 N ATOM 0 H ASN A 92 -19.725 5.833 0.969 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.826 5.090 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.361 3.624 2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.646 5.349 2.092 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.062 5.541 -1.365 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.552 6.345 0.130 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.463 3.747 2.862 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.528 2.629 2.886 1.00 0.00 C ATOM 1400 C ALA A 93 -16.298 2.959 3.724 1.00 0.00 C ATOM 1401 O ALA A 93 -16.027 4.125 4.015 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.118 2.254 1.469 1.00 0.00 C ATOM 0 H ALA A 93 -18.047 4.650 3.089 1.00 0.00 H new ATOM 0 HA ALA A 93 -18.030 1.778 3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.420 1.418 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.001 1.967 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.639 3.108 0.991 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.557 1.927 4.111 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.356 2.108 4.919 1.00 0.00 C ATOM 1410 C PHE A 94 -13.505 0.841 4.919 1.00 0.00 C ATOM 1411 O PHE A 94 -14.000 -0.253 5.187 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.732 2.483 6.353 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.562 2.500 7.295 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -12.304 2.875 6.852 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -13.720 2.139 8.624 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -11.225 2.891 7.716 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -12.645 2.154 9.492 1.00 0.00 C ATOM 1418 CZ PHE A 94 -11.396 2.529 9.038 1.00 0.00 C ATOM 0 H PHE A 94 -15.766 0.956 3.878 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.772 2.917 4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.201 3.467 6.352 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.475 1.776 6.722 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.165 3.158 5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -14.694 1.843 8.985 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.250 3.186 7.358 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.782 1.872 10.526 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.555 2.539 9.715 1.00 0.00 H new ATOM 1428 N GLY A 95 -12.220 0.999 4.616 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.320 -0.139 4.586 1.00 0.00 C ATOM 1430 C GLY A 95 -9.861 0.275 4.584 1.00 0.00 C ATOM 1431 O GLY A 95 -9.537 1.426 4.297 1.00 0.00 O ATOM 0 H GLY A 95 -11.786 1.894 4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.513 -0.774 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.526 -0.738 3.699 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.980 -0.667 4.907 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.549 -0.392 4.944 1.00 0.00 C ATOM 1437 C GLU A 96 -6.748 -1.688 5.034 1.00 0.00 C ATOM 1438 O GLU A 96 -7.281 -2.736 5.395 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.211 0.513 6.131 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.839 0.061 7.438 1.00 0.00 C ATOM 1441 CD GLU A 96 -6.994 -0.966 8.167 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -6.908 -2.114 7.685 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -6.419 -0.620 9.221 1.00 0.00 O ATOM 0 H GLU A 96 -9.232 -1.626 5.146 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.279 0.118 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.128 0.551 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.543 1.527 5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.989 0.927 8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.824 -0.361 7.237 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.463 -1.607 4.701 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.609 -2.780 4.749 1.00 0.00 C ATOM 1452 C GLY A 97 -3.197 -2.450 5.192 1.00 0.00 C ATOM 1453 O GLY A 97 -2.906 -1.316 5.571 1.00 0.00 O ATOM 0 H GLY A 97 -4.998 -0.751 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.040 -3.512 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.578 -3.244 3.763 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.317 -3.445 5.145 1.00 0.00 N ATOM 1458 CA PHE A 98 -0.928 -3.256 5.546 1.00 0.00 C ATOM 1459 C PHE A 98 -0.003 -4.175 4.754 1.00 0.00 C ATOM 1460 O PHE A 98 -0.361 -5.309 4.433 1.00 0.00 O ATOM 1461 CB PHE A 98 -0.768 -3.521 7.045 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.590 -2.607 7.907 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -2.959 -2.784 8.019 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -0.993 -1.570 8.606 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.718 -1.943 8.810 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.747 -0.726 9.399 1.00 0.00 C ATOM 1467 CZ PHE A 98 -3.111 -0.914 9.503 1.00 0.00 C ATOM 0 H PHE A 98 -2.541 -4.390 4.833 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.652 -2.223 5.335 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.047 -4.554 7.255 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.283 -3.414 7.315 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.439 -3.589 7.482 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.074 -1.420 8.530 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.785 -2.090 8.886 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.270 0.080 9.937 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.702 -0.258 10.125 1.00 0.00 H new ATOM 1477 N VAL A 99 1.190 -3.678 4.441 1.00 0.00 N ATOM 1478 CA VAL A 99 2.167 -4.454 3.687 1.00 0.00 C ATOM 1479 C VAL A 99 3.578 -4.224 4.217 1.00 0.00 C ATOM 1480 O VAL A 99 4.013 -3.084 4.380 1.00 0.00 O ATOM 1481 CB VAL A 99 2.129 -4.099 2.189 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.770 -2.742 1.944 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.819 -5.179 1.369 1.00 0.00 C ATOM 0 H VAL A 99 1.503 -2.742 4.698 1.00 0.00 H new ATOM 0 HA VAL A 99 1.902 -5.504 3.811 1.00 0.00 H new ATOM 0 HB VAL A 99 1.087 -4.043 1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.733 -2.509 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.228 -1.978 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.808 -2.765 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.783 -4.912 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.858 -5.268 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.311 -6.131 1.520 1.00 0.00 H new ATOM 1493 N ASN A 100 4.289 -5.314 4.483 1.00 0.00 N ATOM 1494 CA ASN A 100 5.652 -5.232 4.995 1.00 0.00 C ATOM 1495 C ASN A 100 6.666 -5.525 3.893 1.00 0.00 C ATOM 1496 O ASN A 100 6.578 -6.545 3.209 1.00 0.00 O ATOM 1497 CB ASN A 100 5.845 -6.212 6.154 1.00 0.00 C ATOM 1498 CG ASN A 100 4.737 -6.112 7.186 1.00 0.00 C ATOM 1499 OD1 ASN A 100 3.593 -5.802 6.856 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.075 -6.374 8.443 1.00 0.00 N ATOM 0 H ASN A 100 3.944 -6.265 4.353 1.00 0.00 H new ATOM 0 HA ASN A 100 5.816 -4.217 5.356 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.884 -7.229 5.764 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.804 -6.018 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.373 -6.322 9.181 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.037 -6.627 8.670 1.00 0.00 H new ATOM 1507 N VAL A 101 7.629 -4.624 3.727 1.00 0.00 N ATOM 1508 CA VAL A 101 8.661 -4.786 2.710 1.00 0.00 C ATOM 1509 C VAL A 101 10.053 -4.751 3.329 1.00 0.00 C ATOM 1510 O VAL A 101 10.401 -3.816 4.053 1.00 0.00 O ATOM 1511 CB VAL A 101 8.563 -3.690 1.632 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.772 -3.739 0.710 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.272 -3.836 0.840 1.00 0.00 C ATOM 0 H VAL A 101 7.716 -3.774 4.284 1.00 0.00 H new ATOM 0 HA VAL A 101 8.498 -5.758 2.245 1.00 0.00 H new ATOM 0 HB VAL A 101 8.552 -2.718 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.686 -2.958 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.680 -3.582 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.818 -4.712 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.219 -3.054 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.251 -4.812 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.420 -3.747 1.514 1.00 0.00 H new ATOM 1523 N THR A 102 10.849 -5.776 3.041 1.00 0.00 N ATOM 1524 CA THR A 102 12.205 -5.863 3.569 1.00 0.00 C ATOM 1525 C THR A 102 13.239 -5.634 2.473 1.00 0.00 C ATOM 1526 O THR A 102 13.082 -6.111 1.349 1.00 0.00 O ATOM 1527 CB THR A 102 12.464 -7.233 4.226 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.419 -7.536 5.156 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.807 -7.244 4.941 1.00 0.00 C ATOM 0 H THR A 102 10.578 -6.558 2.445 1.00 0.00 H new ATOM 0 HA THR A 102 12.301 -5.082 4.323 1.00 0.00 H new ATOM 0 HB THR A 102 12.481 -7.990 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.590 -8.409 5.568 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.968 -8.221 5.397 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.603 -7.042 4.224 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.813 -6.477 5.715 1.00 0.00 H new ATOM 1537 N VAL A 103 14.296 -4.902 2.807 1.00 0.00 N ATOM 1538 CA VAL A 103 15.358 -4.611 1.851 1.00 0.00 C ATOM 1539 C VAL A 103 16.659 -5.300 2.247 1.00 0.00 C ATOM 1540 O VAL A 103 17.367 -4.844 3.145 1.00 0.00 O ATOM 1541 CB VAL A 103 15.607 -3.095 1.733 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.855 -2.822 0.908 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.396 -2.402 1.129 1.00 0.00 C ATOM 0 H VAL A 103 14.440 -4.499 3.733 1.00 0.00 H new ATOM 0 HA VAL A 103 15.028 -4.994 0.885 1.00 0.00 H new ATOM 0 HB VAL A 103 15.766 -2.691 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 103 17.015 -1.746 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.717 -3.286 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.729 -3.238 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.589 -1.332 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.203 -2.807 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.526 -2.569 1.765 1.00 0.00 H new ATOM 1553 N LYS A 104 16.968 -6.401 1.571 1.00 0.00 N ATOM 1554 CA LYS A 104 18.186 -7.153 1.850 1.00 0.00 C ATOM 1555 C LYS A 104 19.408 -6.443 1.277 1.00 0.00 C ATOM 1556 O LYS A 104 19.358 -5.834 0.208 1.00 0.00 O ATOM 1557 CB LYS A 104 18.082 -8.564 1.266 1.00 0.00 C ATOM 1558 CG LYS A 104 16.890 -9.350 1.783 1.00 0.00 C ATOM 1559 CD LYS A 104 17.196 -10.018 3.114 1.00 0.00 C ATOM 1560 CE LYS A 104 16.229 -11.155 3.403 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.657 -12.426 2.755 1.00 0.00 N ATOM 0 H LYS A 104 16.392 -6.793 0.826 1.00 0.00 H new ATOM 0 HA LYS A 104 18.302 -7.221 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.018 -8.495 0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.996 -9.112 1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.036 -8.683 1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.607 -10.107 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.217 -10.401 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.140 -9.280 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.155 -11.304 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.234 -10.884 3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.972 -13.176 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.703 -12.292 1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.595 -12.698 3.111 1.00 0.00 H new ATOM 1575 N PRO A 105 20.533 -6.522 2.003 1.00 0.00 N ATOM 1576 CA PRO A 105 21.790 -5.894 1.585 1.00 0.00 C ATOM 1577 C PRO A 105 22.407 -6.583 0.372 1.00 0.00 C ATOM 1578 O PRO A 105 22.212 -7.779 0.160 1.00 0.00 O ATOM 1579 CB PRO A 105 22.693 -6.058 2.810 1.00 0.00 C ATOM 1580 CG PRO A 105 22.150 -7.247 3.524 1.00 0.00 C ATOM 1581 CD PRO A 105 20.666 -7.231 3.287 1.00 0.00 C ATOM 0 HA PRO A 105 21.646 -4.857 1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.732 -6.212 2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.667 -5.171 3.442 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.596 -8.167 3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.375 -7.199 4.589 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.257 -8.240 3.233 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.137 -6.715 4.088 1.00 0.00 H new ATOM 1589 N ALA A 106 23.153 -5.820 -0.420 1.00 0.00 N ATOM 1590 CA ALA A 106 23.801 -6.358 -1.610 1.00 0.00 C ATOM 1591 C ALA A 106 24.773 -7.476 -1.248 1.00 0.00 C ATOM 1592 O ALA A 106 25.815 -7.233 -0.639 1.00 0.00 O ATOM 1593 CB ALA A 106 24.524 -5.252 -2.363 1.00 0.00 C ATOM 0 H ALA A 106 23.324 -4.827 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 106 23.029 -6.777 -2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.003 -5.668 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.807 -4.488 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.280 -4.806 -1.717 1.00 0.00 H new