USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 48 THR OG1 : rot -22:sc= 0.143 USER MOD Set 1.2: A 87 GLN : amide:sc= -0.416 K(o=-0.27,f=-4.6!) USER MOD Set 2.1: A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0343) USER MOD Set 2.2: A 28 HIS : no HD1:sc= 0.498 K(o=0.5,f=-5.9!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.128 K(o=0.13,f=-0.56) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.806 X(o=-0.81,f=-0.98) USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0133) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -130:sc= 0.937 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -119:sc= -0.544 (180deg=-1.53) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -116:sc= 0.668 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 54 SER OG : rot -160:sc= 0 USER MOD Single : A 65 ASN : amide:sc=-0.00156 X(o=-0.0016,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 178:sc= -0.983 (180deg=-0.99) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 -1.207 2.922 0.403 1.00 0.00 N ATOM 158 CA TYR A 14 -2.250 2.138 1.033 1.00 0.00 C ATOM 159 C TYR A 14 -2.683 0.968 0.181 1.00 0.00 C ATOM 160 O TYR A 14 -2.577 0.991 -1.046 1.00 0.00 O ATOM 161 CB TYR A 14 -3.442 3.000 1.433 1.00 0.00 C ATOM 162 CG TYR A 14 -3.104 4.026 2.490 1.00 0.00 C ATOM 163 CD1 TYR A 14 -2.704 5.304 2.145 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.178 3.706 3.837 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.389 6.236 3.113 1.00 0.00 C ATOM 166 CE2 TYR A 14 -2.867 4.631 4.809 1.00 0.00 C ATOM 167 CZ TYR A 14 -2.474 5.895 4.444 1.00 0.00 C ATOM 168 OH TYR A 14 -2.157 6.825 5.412 1.00 0.00 O ATOM 0 HA TYR A 14 -1.818 1.727 1.945 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.826 3.510 0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.241 2.356 1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.637 5.577 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.485 2.713 4.130 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.077 7.230 2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.932 4.363 5.853 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.270 6.425 6.299 1.00 0.00 H new ATOM 178 N ILE A 15 -3.172 -0.045 0.854 1.00 0.00 N ATOM 179 CA ILE A 15 -3.566 -1.292 0.250 1.00 0.00 C ATOM 180 C ILE A 15 -4.997 -1.620 0.660 1.00 0.00 C ATOM 181 O ILE A 15 -5.526 -1.051 1.615 1.00 0.00 O ATOM 182 CB ILE A 15 -2.655 -2.442 0.733 1.00 0.00 C ATOM 183 CG1 ILE A 15 -2.944 -2.753 2.199 1.00 0.00 C ATOM 184 CG2 ILE A 15 -1.198 -2.086 0.532 1.00 0.00 C ATOM 185 CD1 ILE A 15 -2.104 -3.861 2.774 1.00 0.00 C ATOM 0 H ILE A 15 -3.310 -0.023 1.864 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.484 -1.190 -0.832 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.866 -3.333 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.786 -1.850 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.996 -3.020 2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.571 -2.908 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.010 -1.907 -0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.962 -1.186 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.373 -4.017 3.819 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.279 -4.779 2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.050 -3.591 2.707 1.00 0.00 H new ATOM 197 N LYS A 16 -5.614 -2.510 -0.055 1.00 0.00 N ATOM 198 CA LYS A 16 -6.971 -2.925 0.262 1.00 0.00 C ATOM 199 C LYS A 16 -6.971 -4.137 1.171 1.00 0.00 C ATOM 200 O LYS A 16 -6.089 -4.975 1.087 1.00 0.00 O ATOM 201 CB LYS A 16 -7.723 -3.256 -1.005 1.00 0.00 C ATOM 202 CG LYS A 16 -8.071 -2.057 -1.851 1.00 0.00 C ATOM 203 CD LYS A 16 -8.676 -2.473 -3.189 1.00 0.00 C ATOM 204 CE LYS A 16 -9.957 -3.287 -3.019 1.00 0.00 C ATOM 205 NZ LYS A 16 -11.036 -2.517 -2.358 1.00 0.00 N ATOM 0 H LYS A 16 -5.208 -2.972 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.461 -2.099 0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.123 -3.944 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.642 -3.780 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.776 -1.423 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.175 -1.461 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.890 -1.583 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.947 -3.060 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.302 -3.624 -3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.741 -4.180 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.912 -3.077 -2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.761 -2.305 -1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.194 -1.628 -2.874 1.00 0.00 H new ATOM 219 N ILE A 17 -7.933 -4.201 2.056 1.00 0.00 N ATOM 220 CA ILE A 17 -8.118 -5.351 2.926 1.00 0.00 C ATOM 221 C ILE A 17 -9.571 -5.759 2.995 1.00 0.00 C ATOM 222 O ILE A 17 -10.453 -4.925 3.223 1.00 0.00 O ATOM 223 CB ILE A 17 -7.569 -5.106 4.351 1.00 0.00 C ATOM 224 CG1 ILE A 17 -6.045 -4.993 4.321 1.00 0.00 C ATOM 225 CG2 ILE A 17 -8.019 -6.195 5.315 1.00 0.00 C ATOM 226 CD1 ILE A 17 -5.343 -6.247 3.822 1.00 0.00 C ATOM 0 H ILE A 17 -8.617 -3.458 2.200 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.543 -6.165 2.484 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.978 -4.163 4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.765 -4.154 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.688 -4.764 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.616 -5.992 6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.108 -6.212 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.656 -7.162 4.967 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.265 -6.088 3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.591 -7.086 4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.670 -6.467 2.806 1.00 0.00 H new ATOM 238 N LYS A 18 -9.829 -7.030 2.787 1.00 0.00 N ATOM 239 CA LYS A 18 -11.168 -7.530 2.881 1.00 0.00 C ATOM 240 C LYS A 18 -11.348 -8.203 4.230 1.00 0.00 C ATOM 241 O LYS A 18 -10.796 -9.278 4.476 1.00 0.00 O ATOM 242 CB LYS A 18 -11.476 -8.541 1.770 1.00 0.00 C ATOM 243 CG LYS A 18 -10.800 -8.263 0.423 1.00 0.00 C ATOM 244 CD LYS A 18 -11.401 -9.133 -0.673 1.00 0.00 C ATOM 245 CE LYS A 18 -11.185 -10.608 -0.400 1.00 0.00 C ATOM 246 NZ LYS A 18 -11.770 -11.460 -1.460 1.00 0.00 N ATOM 0 H LYS A 18 -9.125 -7.730 2.552 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.854 -6.690 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.176 -9.532 2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.555 -8.570 1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.916 -7.211 0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.730 -8.456 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.469 -8.931 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.954 -8.871 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.117 -10.809 -0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.630 -10.868 0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.600 -12.461 -1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.794 -11.287 -1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.328 -11.231 -2.373 1.00 0.00 H new ATOM 260 N VAL A 19 -12.094 -7.571 5.101 1.00 0.00 N ATOM 261 CA VAL A 19 -12.376 -8.129 6.398 1.00 0.00 C ATOM 262 C VAL A 19 -13.508 -9.119 6.263 1.00 0.00 C ATOM 263 O VAL A 19 -14.609 -8.748 5.876 1.00 0.00 O ATOM 264 CB VAL A 19 -12.791 -7.023 7.402 1.00 0.00 C ATOM 265 CG1 VAL A 19 -13.222 -7.623 8.725 1.00 0.00 C ATOM 266 CG2 VAL A 19 -11.657 -6.025 7.612 1.00 0.00 C ATOM 0 H VAL A 19 -12.521 -6.660 4.932 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.476 -8.617 6.773 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.642 -6.490 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.508 -6.825 9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.073 -8.285 8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.396 -8.191 9.153 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.973 -5.259 8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.783 -6.545 8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.403 -5.557 6.661 1.00 0.00 H new ATOM 276 N VAL A 20 -13.240 -10.370 6.569 1.00 0.00 N ATOM 277 CA VAL A 20 -14.242 -11.396 6.441 1.00 0.00 C ATOM 278 C VAL A 20 -14.643 -11.922 7.805 1.00 0.00 C ATOM 279 O VAL A 20 -13.817 -12.452 8.554 1.00 0.00 O ATOM 280 CB VAL A 20 -13.734 -12.575 5.579 1.00 0.00 C ATOM 281 CG1 VAL A 20 -14.811 -13.639 5.434 1.00 0.00 C ATOM 282 CG2 VAL A 20 -13.269 -12.089 4.216 1.00 0.00 C ATOM 0 H VAL A 20 -12.335 -10.697 6.908 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.105 -10.945 5.951 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.880 -13.022 6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -14.432 -14.459 4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -15.085 -14.016 6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -15.689 -13.205 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -12.916 -12.937 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.099 -11.609 3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.457 -11.373 4.343 1.00 0.00 H new ATOM 292 N GLY A 21 -15.903 -11.759 8.128 1.00 0.00 N ATOM 293 CA GLY A 21 -16.408 -12.268 9.372 1.00 0.00 C ATOM 294 C GLY A 21 -16.851 -13.707 9.241 1.00 0.00 C ATOM 295 O GLY A 21 -16.991 -14.216 8.130 1.00 0.00 O ATOM 0 H GLY A 21 -16.592 -11.280 7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.636 -12.192 10.138 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.247 -11.656 9.703 1.00 0.00 H new ATOM 299 N GLN A 22 -17.107 -14.352 10.365 1.00 0.00 N ATOM 300 CA GLN A 22 -17.505 -15.760 10.379 1.00 0.00 C ATOM 301 C GLN A 22 -18.903 -15.945 9.841 1.00 0.00 C ATOM 302 O GLN A 22 -19.290 -17.030 9.417 1.00 0.00 O ATOM 303 CB GLN A 22 -17.413 -16.328 11.780 1.00 0.00 C ATOM 304 CG GLN A 22 -16.005 -16.346 12.346 1.00 0.00 C ATOM 305 CD GLN A 22 -15.050 -17.195 11.527 1.00 0.00 C ATOM 306 OE1 GLN A 22 -15.440 -18.198 10.932 1.00 0.00 O ATOM 307 NE2 GLN A 22 -13.796 -16.786 11.482 1.00 0.00 N ATOM 0 H GLN A 22 -17.047 -13.925 11.289 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.816 -16.300 9.730 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -18.052 -15.743 12.441 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.805 -17.345 11.775 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.625 -15.325 12.395 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.034 -16.724 13.368 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.514 -15.948 11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.109 -17.308 10.938 1.00 0.00 H new ATOM 316 N ASP A 23 -19.647 -14.880 9.853 1.00 0.00 N ATOM 317 CA ASP A 23 -21.000 -14.880 9.337 1.00 0.00 C ATOM 318 C ASP A 23 -20.966 -14.656 7.837 1.00 0.00 C ATOM 319 O ASP A 23 -21.988 -14.358 7.221 1.00 0.00 O ATOM 320 CB ASP A 23 -21.819 -13.778 10.002 1.00 0.00 C ATOM 321 CG ASP A 23 -21.884 -13.923 11.501 1.00 0.00 C ATOM 322 OD1 ASP A 23 -22.424 -14.942 11.987 1.00 0.00 O ATOM 323 OD2 ASP A 23 -21.395 -13.027 12.202 1.00 0.00 O ATOM 0 H ASP A 23 -19.340 -13.979 10.220 1.00 0.00 H new ATOM 0 HA ASP A 23 -21.464 -15.842 9.554 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -21.386 -12.809 9.754 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -22.831 -13.788 9.596 1.00 0.00 H new ATOM 328 N SER A 24 -19.761 -14.797 7.264 1.00 0.00 N ATOM 329 CA SER A 24 -19.522 -14.586 5.838 1.00 0.00 C ATOM 330 C SER A 24 -19.713 -13.123 5.489 1.00 0.00 C ATOM 331 O SER A 24 -20.041 -12.771 4.356 1.00 0.00 O ATOM 332 CB SER A 24 -20.446 -15.474 4.991 1.00 0.00 C ATOM 333 OG SER A 24 -20.235 -16.854 5.279 1.00 0.00 O ATOM 0 H SER A 24 -18.924 -15.062 7.784 1.00 0.00 H new ATOM 0 HA SER A 24 -18.493 -14.866 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 24 -21.486 -15.213 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 24 -20.264 -15.288 3.932 1.00 0.00 H new ATOM 0 HG SER A 24 -20.836 -17.399 4.729 1.00 0.00 H new ATOM 339 N ASN A 25 -19.460 -12.270 6.465 1.00 0.00 N ATOM 340 CA ASN A 25 -19.612 -10.838 6.269 1.00 0.00 C ATOM 341 C ASN A 25 -18.283 -10.221 5.907 1.00 0.00 C ATOM 342 O ASN A 25 -17.423 -10.036 6.761 1.00 0.00 O ATOM 343 CB ASN A 25 -20.167 -10.158 7.526 1.00 0.00 C ATOM 344 CG ASN A 25 -21.589 -10.577 7.862 1.00 0.00 C ATOM 345 OD1 ASN A 25 -22.375 -10.925 6.982 1.00 0.00 O ATOM 346 ND2 ASN A 25 -21.933 -10.534 9.139 1.00 0.00 N ATOM 0 H ASN A 25 -19.150 -12.541 7.398 1.00 0.00 H new ATOM 0 HA ASN A 25 -20.321 -10.687 5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -19.519 -10.389 8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -20.138 -9.077 7.388 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -22.878 -10.795 9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.253 -10.240 9.841 1.00 0.00 H new ATOM 353 N GLU A 26 -18.117 -9.920 4.649 1.00 0.00 N ATOM 354 CA GLU A 26 -16.896 -9.313 4.157 1.00 0.00 C ATOM 355 C GLU A 26 -17.096 -7.828 3.882 1.00 0.00 C ATOM 356 O GLU A 26 -18.110 -7.417 3.315 1.00 0.00 O ATOM 357 CB GLU A 26 -16.391 -10.033 2.899 1.00 0.00 C ATOM 358 CG GLU A 26 -15.131 -9.423 2.296 1.00 0.00 C ATOM 359 CD GLU A 26 -14.682 -10.129 1.036 1.00 0.00 C ATOM 360 OE1 GLU A 26 -14.705 -9.495 -0.044 1.00 0.00 O ATOM 361 OE2 GLU A 26 -14.312 -11.315 1.110 1.00 0.00 O ATOM 0 H GLU A 26 -18.821 -10.086 3.930 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.138 -9.415 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.195 -11.077 3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.181 -10.026 2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.313 -8.372 2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.328 -9.458 3.032 1.00 0.00 H new ATOM 368 N VAL A 27 -16.138 -7.040 4.312 1.00 0.00 N ATOM 369 CA VAL A 27 -16.155 -5.604 4.115 1.00 0.00 C ATOM 370 C VAL A 27 -14.782 -5.141 3.666 1.00 0.00 C ATOM 371 O VAL A 27 -13.764 -5.671 4.111 1.00 0.00 O ATOM 372 CB VAL A 27 -16.601 -4.861 5.402 1.00 0.00 C ATOM 373 CG1 VAL A 27 -15.692 -5.200 6.556 1.00 0.00 C ATOM 374 CG2 VAL A 27 -16.654 -3.355 5.182 1.00 0.00 C ATOM 0 H VAL A 27 -15.316 -7.378 4.813 1.00 0.00 H new ATOM 0 HA VAL A 27 -16.883 -5.365 3.340 1.00 0.00 H new ATOM 0 HB VAL A 27 -17.609 -5.197 5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.023 -4.668 7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.724 -6.274 6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.671 -4.903 6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.970 -2.864 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.665 -2.994 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -17.365 -3.128 4.387 1.00 0.00 H new ATOM 384 N HIS A 28 -14.746 -4.181 2.771 1.00 0.00 N ATOM 385 CA HIS A 28 -13.488 -3.745 2.211 1.00 0.00 C ATOM 386 C HIS A 28 -13.008 -2.453 2.821 1.00 0.00 C ATOM 387 O HIS A 28 -13.661 -1.419 2.718 1.00 0.00 O ATOM 388 CB HIS A 28 -13.586 -3.601 0.696 1.00 0.00 C ATOM 389 CG HIS A 28 -13.730 -4.903 -0.028 1.00 0.00 C ATOM 390 ND1 HIS A 28 -13.568 -5.031 -1.388 1.00 0.00 N ATOM 391 CD2 HIS A 28 -14.038 -6.140 0.427 1.00 0.00 C ATOM 392 CE1 HIS A 28 -13.770 -6.292 -1.733 1.00 0.00 C ATOM 393 NE2 HIS A 28 -14.056 -6.977 -0.648 1.00 0.00 N ATOM 0 H HIS A 28 -15.567 -3.690 2.417 1.00 0.00 H new ATOM 0 HA HIS A 28 -12.756 -4.516 2.450 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -14.439 -2.966 0.455 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -12.695 -3.090 0.331 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -14.234 -6.413 1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.710 -6.691 -2.735 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.259 -7.976 -0.616 1.00 0.00 H new ATOM 401 N PHE A 29 -11.875 -2.530 3.460 1.00 0.00 N ATOM 402 CA PHE A 29 -11.218 -1.376 4.030 1.00 0.00 C ATOM 403 C PHE A 29 -9.894 -1.141 3.361 1.00 0.00 C ATOM 404 O PHE A 29 -9.231 -2.080 2.940 1.00 0.00 O ATOM 405 CB PHE A 29 -10.969 -1.562 5.518 1.00 0.00 C ATOM 406 CG PHE A 29 -12.191 -1.528 6.360 1.00 0.00 C ATOM 407 CD1 PHE A 29 -12.777 -2.694 6.794 1.00 0.00 C ATOM 408 CD2 PHE A 29 -12.756 -0.319 6.727 1.00 0.00 C ATOM 409 CE1 PHE A 29 -13.899 -2.661 7.576 1.00 0.00 C ATOM 410 CE2 PHE A 29 -13.883 -0.283 7.510 1.00 0.00 C ATOM 411 CZ PHE A 29 -14.455 -1.460 7.935 1.00 0.00 C ATOM 0 H PHE A 29 -11.371 -3.405 3.604 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.878 -0.522 3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.465 -2.516 5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.287 -0.783 5.859 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.347 -3.645 6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.306 0.605 6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -14.348 -3.584 7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -14.319 0.665 7.791 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.342 -1.438 8.551 1.00 0.00 H new ATOM 421 N ARG A 30 -9.517 0.097 3.247 1.00 0.00 N ATOM 422 CA ARG A 30 -8.224 0.425 2.733 1.00 0.00 C ATOM 423 C ARG A 30 -7.324 0.847 3.879 1.00 0.00 C ATOM 424 O ARG A 30 -7.639 1.772 4.631 1.00 0.00 O ATOM 425 CB ARG A 30 -8.314 1.492 1.650 1.00 0.00 C ATOM 426 CG ARG A 30 -6.969 1.906 1.090 1.00 0.00 C ATOM 427 CD ARG A 30 -7.130 2.662 -0.208 1.00 0.00 C ATOM 428 NE ARG A 30 -7.933 3.875 -0.053 1.00 0.00 N ATOM 429 CZ ARG A 30 -8.391 4.612 -1.069 1.00 0.00 C ATOM 430 NH1 ARG A 30 -8.122 4.262 -2.328 1.00 0.00 N ATOM 431 NH2 ARG A 30 -9.125 5.688 -0.825 1.00 0.00 N ATOM 0 H ARG A 30 -10.091 0.900 3.505 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.789 -0.455 2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.937 1.120 0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.814 2.370 2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.446 2.529 1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.352 1.022 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.146 2.928 -0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.598 2.012 -0.948 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.158 4.178 0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.565 3.429 -2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.474 4.827 -3.101 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.339 5.952 0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.476 6.252 -1.599 1.00 0.00 H new ATOM 445 N VAL A 31 -6.222 0.157 4.009 1.00 0.00 N ATOM 446 CA VAL A 31 -5.286 0.356 5.104 1.00 0.00 C ATOM 447 C VAL A 31 -3.882 0.425 4.556 1.00 0.00 C ATOM 448 O VAL A 31 -3.673 0.228 3.376 1.00 0.00 O ATOM 449 CB VAL A 31 -5.370 -0.780 6.155 1.00 0.00 C ATOM 450 CG1 VAL A 31 -6.766 -0.857 6.763 1.00 0.00 C ATOM 451 CG2 VAL A 31 -4.972 -2.109 5.548 1.00 0.00 C ATOM 0 H VAL A 31 -5.938 -0.571 3.353 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.550 1.290 5.600 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.666 -0.550 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.799 -1.662 7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.003 0.089 7.250 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.495 -1.053 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.039 -2.890 6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.642 -2.347 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.948 -2.049 5.179 1.00 0.00 H new ATOM 461 N LYS A 32 -2.936 0.712 5.389 1.00 0.00 N ATOM 462 CA LYS A 32 -1.571 0.836 4.953 1.00 0.00 C ATOM 463 C LYS A 32 -0.884 -0.514 5.004 1.00 0.00 C ATOM 464 O LYS A 32 -1.321 -1.407 5.729 1.00 0.00 O ATOM 465 CB LYS A 32 -0.827 1.833 5.839 1.00 0.00 C ATOM 466 CG LYS A 32 0.419 2.409 5.193 1.00 0.00 C ATOM 467 CD LYS A 32 1.027 3.523 6.030 1.00 0.00 C ATOM 468 CE LYS A 32 1.743 3.001 7.271 1.00 0.00 C ATOM 469 NZ LYS A 32 3.043 2.357 6.937 1.00 0.00 N ATOM 0 H LYS A 32 -3.079 0.868 6.387 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.561 1.199 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.501 2.649 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.548 1.341 6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.155 1.617 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.171 2.792 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.731 4.088 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.241 4.215 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.914 3.825 7.964 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.103 2.282 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.519 2.062 7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.874 1.524 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.645 3.034 6.427 1.00 0.00 H new ATOM 483 N TYR A 33 0.187 -0.663 4.229 1.00 0.00 N ATOM 484 CA TYR A 33 0.989 -1.887 4.253 1.00 0.00 C ATOM 485 C TYR A 33 1.390 -2.210 5.693 1.00 0.00 C ATOM 486 O TYR A 33 1.342 -3.356 6.120 1.00 0.00 O ATOM 487 CB TYR A 33 2.282 -1.681 3.451 1.00 0.00 C ATOM 488 CG TYR A 33 2.130 -1.534 1.949 1.00 0.00 C ATOM 489 CD1 TYR A 33 1.901 -0.290 1.369 1.00 0.00 C ATOM 490 CD2 TYR A 33 2.257 -2.636 1.109 1.00 0.00 C ATOM 491 CE1 TYR A 33 1.800 -0.149 -0.005 1.00 0.00 C ATOM 492 CE2 TYR A 33 2.152 -2.504 -0.265 1.00 0.00 C ATOM 493 CZ TYR A 33 1.924 -1.259 -0.816 1.00 0.00 C ATOM 494 OH TYR A 33 1.827 -1.123 -2.185 1.00 0.00 O ATOM 0 H TYR A 33 0.521 0.047 3.577 1.00 0.00 H new ATOM 0 HA TYR A 33 0.397 -2.695 3.824 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.782 -0.790 3.832 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.943 -2.526 3.646 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.800 0.580 2.001 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.441 -3.611 1.536 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.625 0.824 -0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.248 -3.370 -0.903 1.00 0.00 H new ATOM 0 HH TYR A 33 1.938 -1.999 -2.609 1.00 0.00 H new ATOM 504 N GLY A 34 1.758 -1.173 6.436 1.00 0.00 N ATOM 505 CA GLY A 34 2.201 -1.349 7.802 1.00 0.00 C ATOM 506 C GLY A 34 1.165 -0.924 8.817 1.00 0.00 C ATOM 507 O GLY A 34 1.510 -0.416 9.884 1.00 0.00 O ATOM 0 H GLY A 34 1.756 -0.206 6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.453 -2.397 7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.113 -0.774 7.959 1.00 0.00 H new ATOM 511 N THR A 35 -0.099 -1.091 8.478 1.00 0.00 N ATOM 512 CA THR A 35 -1.168 -0.757 9.368 1.00 0.00 C ATOM 513 C THR A 35 -1.209 -1.688 10.590 1.00 0.00 C ATOM 514 O THR A 35 -1.074 -2.902 10.471 1.00 0.00 O ATOM 515 CB THR A 35 -2.515 -0.757 8.622 1.00 0.00 C ATOM 516 OG1 THR A 35 -2.773 0.540 8.068 1.00 0.00 O ATOM 517 CG2 THR A 35 -3.655 -1.192 9.509 1.00 0.00 C ATOM 0 H THR A 35 -0.402 -1.462 7.577 1.00 0.00 H new ATOM 0 HA THR A 35 -0.983 0.250 9.742 1.00 0.00 H new ATOM 0 HB THR A 35 -2.443 -1.484 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.677 0.827 8.314 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.585 -1.177 8.940 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.468 -2.203 9.872 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.737 -0.511 10.356 1.00 0.00 H new ATOM 525 N SER A 36 -1.374 -1.088 11.753 1.00 0.00 N ATOM 526 CA SER A 36 -1.429 -1.812 13.007 1.00 0.00 C ATOM 527 C SER A 36 -2.861 -2.177 13.348 1.00 0.00 C ATOM 528 O SER A 36 -3.792 -1.509 12.891 1.00 0.00 O ATOM 529 CB SER A 36 -0.823 -0.955 14.101 1.00 0.00 C ATOM 530 OG SER A 36 0.540 -0.705 13.827 1.00 0.00 O ATOM 0 H SER A 36 -1.474 -0.078 11.854 1.00 0.00 H new ATOM 0 HA SER A 36 -0.860 -2.737 12.916 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.365 -0.012 14.177 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.922 -1.458 15.063 1.00 0.00 H new ATOM 0 HG SER A 36 0.920 -0.150 14.539 1.00 0.00 H new ATOM 536 N MET A 37 -3.033 -3.228 14.170 1.00 0.00 N ATOM 537 CA MET A 37 -4.382 -3.721 14.552 1.00 0.00 C ATOM 538 C MET A 37 -5.345 -2.588 14.950 1.00 0.00 C ATOM 539 O MET A 37 -6.531 -2.643 14.640 1.00 0.00 O ATOM 540 CB MET A 37 -4.296 -4.722 15.719 1.00 0.00 C ATOM 541 CG MET A 37 -3.919 -4.096 17.061 1.00 0.00 C ATOM 542 SD MET A 37 -3.961 -5.278 18.423 1.00 0.00 S ATOM 543 CE MET A 37 -3.537 -4.224 19.807 1.00 0.00 C ATOM 0 H MET A 37 -2.263 -3.754 14.584 1.00 0.00 H new ATOM 0 HA MET A 37 -4.778 -4.210 13.662 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.258 -5.223 15.823 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.562 -5.489 15.471 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.919 -3.668 16.989 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.602 -3.275 17.278 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.615 -4.580 20.266 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.396 -3.202 19.456 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.341 -4.248 20.542 1.00 0.00 H new ATOM 553 N ALA A 38 -4.821 -1.558 15.599 1.00 0.00 N ATOM 554 CA ALA A 38 -5.643 -0.460 16.100 1.00 0.00 C ATOM 555 C ALA A 38 -6.368 0.281 14.989 1.00 0.00 C ATOM 556 O ALA A 38 -7.522 0.667 15.157 1.00 0.00 O ATOM 557 CB ALA A 38 -4.814 0.505 16.914 1.00 0.00 C ATOM 0 H ALA A 38 -3.825 -1.458 15.793 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.402 -0.908 16.741 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.448 1.314 17.276 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.374 -0.019 17.763 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.020 0.918 16.291 1.00 0.00 H new ATOM 563 N LYS A 39 -5.704 0.452 13.850 1.00 0.00 N ATOM 564 CA LYS A 39 -6.268 1.227 12.746 1.00 0.00 C ATOM 565 C LYS A 39 -7.577 0.603 12.280 1.00 0.00 C ATOM 566 O LYS A 39 -8.539 1.307 11.986 1.00 0.00 O ATOM 567 CB LYS A 39 -5.291 1.266 11.558 1.00 0.00 C ATOM 568 CG LYS A 39 -3.928 1.893 11.858 1.00 0.00 C ATOM 569 CD LYS A 39 -4.037 3.371 12.193 1.00 0.00 C ATOM 570 CE LYS A 39 -2.659 3.987 12.400 1.00 0.00 C ATOM 571 NZ LYS A 39 -2.735 5.429 12.739 1.00 0.00 N ATOM 0 H LYS A 39 -4.778 0.066 13.666 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.447 2.241 13.104 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.135 0.247 11.203 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.757 1.820 10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.464 1.367 12.692 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.273 1.765 10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.555 3.893 11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.636 3.500 13.094 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.141 3.455 13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.066 3.859 11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.775 5.806 12.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.206 5.943 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.278 5.551 13.617 1.00 0.00 H new ATOM 585 N LEU A 40 -7.605 -0.720 12.236 1.00 0.00 N ATOM 586 CA LEU A 40 -8.767 -1.449 11.762 1.00 0.00 C ATOM 587 C LEU A 40 -9.781 -1.726 12.871 1.00 0.00 C ATOM 588 O LEU A 40 -10.972 -1.588 12.662 1.00 0.00 O ATOM 589 CB LEU A 40 -8.379 -2.752 11.014 1.00 0.00 C ATOM 590 CG LEU A 40 -7.296 -3.656 11.651 1.00 0.00 C ATOM 591 CD1 LEU A 40 -7.443 -5.073 11.128 1.00 0.00 C ATOM 592 CD2 LEU A 40 -5.908 -3.156 11.294 1.00 0.00 C ATOM 0 H LEU A 40 -6.828 -1.314 12.526 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.256 -0.794 11.041 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.283 -3.349 10.890 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.040 -2.476 10.015 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.425 -3.634 12.733 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.680 -5.708 11.578 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.431 -5.455 11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.324 -5.075 10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.159 -3.804 11.750 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.785 -3.166 10.211 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.782 -2.138 11.664 1.00 0.00 H new ATOM 604 N LYS A 41 -9.300 -2.122 14.039 1.00 0.00 N ATOM 605 CA LYS A 41 -10.176 -2.449 15.176 1.00 0.00 C ATOM 606 C LYS A 41 -10.959 -1.259 15.624 1.00 0.00 C ATOM 607 O LYS A 41 -12.163 -1.345 15.822 1.00 0.00 O ATOM 608 CB LYS A 41 -9.338 -2.976 16.315 1.00 0.00 C ATOM 609 CG LYS A 41 -8.732 -4.325 16.031 1.00 0.00 C ATOM 610 CD LYS A 41 -7.672 -4.667 17.039 1.00 0.00 C ATOM 611 CE LYS A 41 -8.249 -4.832 18.443 1.00 0.00 C ATOM 612 NZ LYS A 41 -7.205 -5.183 19.437 1.00 0.00 N ATOM 0 H LYS A 41 -8.305 -2.228 14.234 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.887 -3.210 14.855 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.541 -2.265 16.530 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.955 -3.043 17.211 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.511 -5.087 16.046 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.301 -4.329 15.030 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.173 -5.589 16.742 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.914 -3.883 17.048 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.739 -3.906 18.744 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.014 -5.609 18.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.397 -6.130 19.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.272 -5.178 18.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.213 -4.487 20.210 1.00 0.00 H new ATOM 626 N LYS A 42 -10.288 -0.149 15.756 1.00 0.00 N ATOM 627 CA LYS A 42 -10.949 1.079 16.118 1.00 0.00 C ATOM 628 C LYS A 42 -11.944 1.460 15.038 1.00 0.00 C ATOM 629 O LYS A 42 -13.051 1.891 15.328 1.00 0.00 O ATOM 630 CB LYS A 42 -9.933 2.203 16.328 1.00 0.00 C ATOM 631 CG LYS A 42 -10.552 3.529 16.747 1.00 0.00 C ATOM 632 CD LYS A 42 -9.486 4.571 17.043 1.00 0.00 C ATOM 633 CE LYS A 42 -8.707 4.946 15.792 1.00 0.00 C ATOM 634 NZ LYS A 42 -7.686 5.984 16.068 1.00 0.00 N ATOM 0 H LYS A 42 -9.281 -0.067 15.618 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.480 0.927 17.057 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.216 1.893 17.088 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.374 2.351 15.404 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.208 3.892 15.956 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.172 3.379 17.631 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.954 5.462 17.462 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.800 4.186 17.798 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.222 4.058 15.387 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.397 5.309 15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.177 6.212 15.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.151 6.840 16.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.013 5.629 16.777 1.00 0.00 H new ATOM 648 N SER A 43 -11.529 1.282 13.793 1.00 0.00 N ATOM 649 CA SER A 43 -12.346 1.657 12.639 1.00 0.00 C ATOM 650 C SER A 43 -13.589 0.759 12.475 1.00 0.00 C ATOM 651 O SER A 43 -14.716 1.255 12.364 1.00 0.00 O ATOM 652 CB SER A 43 -11.492 1.606 11.366 1.00 0.00 C ATOM 653 OG SER A 43 -12.244 1.970 10.225 1.00 0.00 O ATOM 0 H SER A 43 -10.625 0.877 13.551 1.00 0.00 H new ATOM 0 HA SER A 43 -12.706 2.671 12.811 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.639 2.277 11.471 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.092 0.601 11.234 1.00 0.00 H new ATOM 0 HG SER A 43 -11.672 1.929 9.430 1.00 0.00 H new ATOM 659 N TYR A 44 -13.378 -0.553 12.461 1.00 0.00 N ATOM 660 CA TYR A 44 -14.463 -1.506 12.287 1.00 0.00 C ATOM 661 C TYR A 44 -15.427 -1.440 13.441 1.00 0.00 C ATOM 662 O TYR A 44 -16.635 -1.365 13.244 1.00 0.00 O ATOM 663 CB TYR A 44 -13.911 -2.917 12.147 1.00 0.00 C ATOM 664 CG TYR A 44 -14.951 -3.966 11.810 1.00 0.00 C ATOM 665 CD1 TYR A 44 -15.143 -4.379 10.503 1.00 0.00 C ATOM 666 CD2 TYR A 44 -15.736 -4.539 12.800 1.00 0.00 C ATOM 667 CE1 TYR A 44 -16.087 -5.335 10.189 1.00 0.00 C ATOM 668 CE2 TYR A 44 -16.682 -5.495 12.496 1.00 0.00 C ATOM 669 CZ TYR A 44 -16.853 -5.891 11.188 1.00 0.00 C ATOM 670 OH TYR A 44 -17.793 -6.846 10.875 1.00 0.00 O ATOM 0 H TYR A 44 -12.458 -0.981 12.569 1.00 0.00 H new ATOM 0 HA TYR A 44 -15.000 -1.244 11.376 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -13.146 -2.919 11.371 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -13.420 -3.196 13.079 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -14.544 -3.946 9.716 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -15.604 -4.231 13.827 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -16.224 -5.646 9.164 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -17.285 -5.931 13.279 1.00 0.00 H new ATOM 0 HH TYR A 44 -18.248 -7.138 11.693 1.00 0.00 H new ATOM 680 N ALA A 45 -14.889 -1.453 14.647 1.00 0.00 N ATOM 681 CA ALA A 45 -15.717 -1.392 15.837 1.00 0.00 C ATOM 682 C ALA A 45 -16.526 -0.112 15.839 1.00 0.00 C ATOM 683 O ALA A 45 -17.659 -0.072 16.311 1.00 0.00 O ATOM 684 CB ALA A 45 -14.883 -1.493 17.094 1.00 0.00 C ATOM 0 H ALA A 45 -13.886 -1.505 14.828 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.397 -2.244 15.822 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -15.534 -1.444 17.967 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.342 -2.439 17.097 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.171 -0.668 17.125 1.00 0.00 H new ATOM 690 N ASP A 46 -15.926 0.927 15.298 1.00 0.00 N ATOM 691 CA ASP A 46 -16.550 2.248 15.237 1.00 0.00 C ATOM 692 C ASP A 46 -17.803 2.227 14.367 1.00 0.00 C ATOM 693 O ASP A 46 -18.855 2.725 14.761 1.00 0.00 O ATOM 694 CB ASP A 46 -15.564 3.255 14.660 1.00 0.00 C ATOM 695 CG ASP A 46 -16.058 4.678 14.735 1.00 0.00 C ATOM 696 OD1 ASP A 46 -15.851 5.324 15.784 1.00 0.00 O ATOM 697 OD2 ASP A 46 -16.640 5.164 13.745 1.00 0.00 O ATOM 0 H ASP A 46 -14.993 0.888 14.887 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.832 2.534 16.250 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.618 3.176 15.196 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.362 3.001 13.619 1.00 0.00 H new ATOM 702 N ARG A 47 -17.684 1.624 13.189 1.00 0.00 N ATOM 703 CA ARG A 47 -18.786 1.582 12.227 1.00 0.00 C ATOM 704 C ARG A 47 -19.916 0.679 12.714 1.00 0.00 C ATOM 705 O ARG A 47 -21.082 0.889 12.384 1.00 0.00 O ATOM 706 CB ARG A 47 -18.281 1.111 10.860 1.00 0.00 C ATOM 707 CG ARG A 47 -17.986 -0.368 10.783 1.00 0.00 C ATOM 708 CD ARG A 47 -17.248 -0.712 9.516 1.00 0.00 C ATOM 709 NE ARG A 47 -17.999 -0.364 8.306 1.00 0.00 N ATOM 710 CZ ARG A 47 -18.800 -1.202 7.639 1.00 0.00 C ATOM 711 NH1 ARG A 47 -18.982 -2.446 8.069 1.00 0.00 N ATOM 712 NH2 ARG A 47 -19.425 -0.790 6.547 1.00 0.00 N ATOM 0 H ARG A 47 -16.834 1.156 12.874 1.00 0.00 H new ATOM 0 HA ARG A 47 -19.183 2.592 12.130 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.026 1.361 10.105 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.376 1.664 10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.392 -0.668 11.646 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.919 -0.930 10.827 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.291 -0.191 9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -17.029 -1.780 9.507 1.00 0.00 H new ATOM 0 HE ARG A 47 -17.904 0.586 7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.509 -2.768 8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -19.595 -3.079 7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -19.295 0.166 6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -20.036 -1.428 6.038 1.00 0.00 H new ATOM 726 N THR A 48 -19.567 -0.326 13.495 1.00 0.00 N ATOM 727 CA THR A 48 -20.556 -1.245 14.021 1.00 0.00 C ATOM 728 C THR A 48 -21.116 -0.725 15.352 1.00 0.00 C ATOM 729 O THR A 48 -22.139 -1.206 15.840 1.00 0.00 O ATOM 730 CB THR A 48 -19.983 -2.696 14.159 1.00 0.00 C ATOM 731 OG1 THR A 48 -20.961 -3.595 14.702 1.00 0.00 O ATOM 732 CG2 THR A 48 -18.750 -2.721 15.021 1.00 0.00 C ATOM 0 H THR A 48 -18.608 -0.526 13.778 1.00 0.00 H new ATOM 0 HA THR A 48 -21.379 -1.301 13.308 1.00 0.00 H new ATOM 0 HB THR A 48 -19.718 -3.026 13.155 1.00 0.00 H new ATOM 0 HG1 THR A 48 -21.636 -3.085 15.197 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.379 -3.743 15.095 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.982 -2.088 14.576 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.994 -2.350 16.016 1.00 0.00 H new ATOM 740 N GLY A 49 -20.447 0.284 15.917 1.00 0.00 N ATOM 741 CA GLY A 49 -20.893 0.869 17.169 1.00 0.00 C ATOM 742 C GLY A 49 -20.702 -0.072 18.328 1.00 0.00 C ATOM 743 O GLY A 49 -21.471 -0.059 19.286 1.00 0.00 O ATOM 0 H GLY A 49 -19.604 0.704 15.526 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -20.342 1.791 17.355 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.946 1.138 17.089 1.00 0.00 H new ATOM 747 N VAL A 50 -19.681 -0.889 18.242 1.00 0.00 N ATOM 748 CA VAL A 50 -19.434 -1.895 19.241 1.00 0.00 C ATOM 749 C VAL A 50 -18.122 -1.616 19.972 1.00 0.00 C ATOM 750 O VAL A 50 -17.395 -0.680 19.619 1.00 0.00 O ATOM 751 CB VAL A 50 -19.388 -3.294 18.594 1.00 0.00 C ATOM 752 CG1 VAL A 50 -17.966 -3.675 18.164 1.00 0.00 C ATOM 753 CG2 VAL A 50 -20.013 -4.325 19.506 1.00 0.00 C ATOM 0 H VAL A 50 -19.002 -0.874 17.481 1.00 0.00 H new ATOM 0 HA VAL A 50 -20.250 -1.866 19.964 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.983 -3.265 17.681 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -17.976 -4.667 17.713 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.599 -2.950 17.438 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -17.311 -3.679 19.035 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.970 -5.305 19.031 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -19.467 -4.355 20.449 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.053 -4.059 19.697 1.00 0.00 H new ATOM 763 N ALA A 51 -17.836 -2.421 20.986 1.00 0.00 N ATOM 764 CA ALA A 51 -16.620 -2.293 21.759 1.00 0.00 C ATOM 765 C ALA A 51 -15.391 -2.443 20.869 1.00 0.00 C ATOM 766 O ALA A 51 -15.241 -3.442 20.164 1.00 0.00 O ATOM 767 CB ALA A 51 -16.606 -3.365 22.830 1.00 0.00 C ATOM 0 H ALA A 51 -18.445 -3.180 21.292 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.592 -1.303 22.214 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -15.693 -3.278 23.420 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.472 -3.240 23.481 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -16.643 -4.348 22.361 1.00 0.00 H new ATOM 773 N VAL A 52 -14.512 -1.455 20.922 1.00 0.00 N ATOM 774 CA VAL A 52 -13.283 -1.475 20.147 1.00 0.00 C ATOM 775 C VAL A 52 -12.364 -2.576 20.647 1.00 0.00 C ATOM 776 O VAL A 52 -11.786 -3.327 19.867 1.00 0.00 O ATOM 777 CB VAL A 52 -12.545 -0.110 20.225 1.00 0.00 C ATOM 778 CG1 VAL A 52 -11.182 -0.184 19.549 1.00 0.00 C ATOM 779 CG2 VAL A 52 -13.392 0.994 19.609 1.00 0.00 C ATOM 0 H VAL A 52 -14.629 -0.622 21.499 1.00 0.00 H new ATOM 0 HA VAL A 52 -13.550 -1.666 19.108 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.385 0.126 21.277 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.688 0.785 19.619 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.571 -0.939 20.044 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.310 -0.451 18.500 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.857 1.942 19.674 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.590 0.760 18.563 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.336 1.072 20.148 1.00 0.00 H new ATOM 789 N ASN A 53 -12.257 -2.669 21.960 1.00 0.00 N ATOM 790 CA ASN A 53 -11.399 -3.647 22.606 1.00 0.00 C ATOM 791 C ASN A 53 -11.881 -5.067 22.367 1.00 0.00 C ATOM 792 O ASN A 53 -11.078 -5.996 22.250 1.00 0.00 O ATOM 793 CB ASN A 53 -11.319 -3.379 24.108 1.00 0.00 C ATOM 794 CG ASN A 53 -10.434 -4.380 24.829 1.00 0.00 C ATOM 795 OD1 ASN A 53 -10.899 -5.429 25.285 1.00 0.00 O ATOM 796 ND2 ASN A 53 -9.161 -4.065 24.938 1.00 0.00 N ATOM 0 H ASN A 53 -12.763 -2.068 22.610 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.407 -3.547 22.165 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.935 -2.373 24.275 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.322 -3.412 24.534 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.518 -4.698 25.414 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.817 -3.188 24.547 1.00 0.00 H new ATOM 803 N SER A 54 -13.184 -5.243 22.293 1.00 0.00 N ATOM 804 CA SER A 54 -13.732 -6.565 22.160 1.00 0.00 C ATOM 805 C SER A 54 -13.770 -7.019 20.711 1.00 0.00 C ATOM 806 O SER A 54 -13.913 -8.198 20.447 1.00 0.00 O ATOM 807 CB SER A 54 -15.109 -6.633 22.787 1.00 0.00 C ATOM 808 OG SER A 54 -15.056 -6.330 24.173 1.00 0.00 O ATOM 0 H SER A 54 -13.873 -4.491 22.323 1.00 0.00 H new ATOM 0 HA SER A 54 -13.074 -7.251 22.693 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.776 -5.933 22.284 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.527 -7.629 22.645 1.00 0.00 H new ATOM 0 HG SER A 54 -15.859 -6.678 24.615 1.00 0.00 H new ATOM 814 N LEU A 55 -13.584 -6.091 19.777 1.00 0.00 N ATOM 815 CA LEU A 55 -13.582 -6.434 18.363 1.00 0.00 C ATOM 816 C LEU A 55 -12.153 -6.697 17.957 1.00 0.00 C ATOM 817 O LEU A 55 -11.277 -5.848 18.120 1.00 0.00 O ATOM 818 CB LEU A 55 -14.202 -5.296 17.523 1.00 0.00 C ATOM 819 CG LEU A 55 -14.543 -5.612 16.043 1.00 0.00 C ATOM 820 CD1 LEU A 55 -13.298 -5.829 15.206 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.480 -6.815 15.934 1.00 0.00 C ATOM 0 H LEU A 55 -13.434 -5.102 19.974 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.188 -7.323 18.186 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -15.117 -4.970 18.018 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.513 -4.451 17.538 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.058 -4.738 15.645 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.585 -6.047 14.177 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.683 -4.929 15.228 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.730 -6.667 15.610 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.700 -7.011 14.885 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.001 -7.690 16.374 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.408 -6.603 16.466 1.00 0.00 H new ATOM 833 N ARG A 56 -11.917 -7.879 17.429 1.00 0.00 N ATOM 834 CA ARG A 56 -10.573 -8.336 17.195 1.00 0.00 C ATOM 835 C ARG A 56 -10.419 -8.986 15.829 1.00 0.00 C ATOM 836 O ARG A 56 -11.338 -9.634 15.327 1.00 0.00 O ATOM 837 CB ARG A 56 -10.216 -9.301 18.321 1.00 0.00 C ATOM 838 CG ARG A 56 -10.234 -8.617 19.683 1.00 0.00 C ATOM 839 CD ARG A 56 -10.839 -9.487 20.767 1.00 0.00 C ATOM 840 NE ARG A 56 -10.807 -8.809 22.068 1.00 0.00 N ATOM 841 CZ ARG A 56 -10.982 -9.410 23.247 1.00 0.00 C ATOM 842 NH1 ARG A 56 -11.182 -10.723 23.308 1.00 0.00 N ATOM 843 NH2 ARG A 56 -10.950 -8.691 24.366 1.00 0.00 N ATOM 0 H ARG A 56 -12.644 -8.539 17.154 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.889 -7.488 17.192 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.920 -10.133 18.323 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.227 -9.721 18.139 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.215 -8.349 19.964 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.799 -7.688 19.611 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.868 -9.734 20.507 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.292 -10.428 20.830 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.638 -7.803 22.072 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.202 -11.276 22.451 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.315 -11.177 24.212 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.792 -7.684 24.321 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.083 -9.146 25.269 1.00 0.00 H new ATOM 857 N PHE A 57 -9.249 -8.805 15.243 1.00 0.00 N ATOM 858 CA PHE A 57 -8.940 -9.347 13.927 1.00 0.00 C ATOM 859 C PHE A 57 -7.759 -10.292 13.994 1.00 0.00 C ATOM 860 O PHE A 57 -6.847 -10.112 14.811 1.00 0.00 O ATOM 861 CB PHE A 57 -8.581 -8.232 12.957 1.00 0.00 C ATOM 862 CG PHE A 57 -9.674 -7.261 12.680 1.00 0.00 C ATOM 863 CD1 PHE A 57 -9.682 -6.026 13.274 1.00 0.00 C ATOM 864 CD2 PHE A 57 -10.676 -7.575 11.808 1.00 0.00 C ATOM 865 CE1 PHE A 57 -10.678 -5.122 12.997 1.00 0.00 C ATOM 866 CE2 PHE A 57 -11.677 -6.678 11.532 1.00 0.00 C ATOM 867 CZ PHE A 57 -11.676 -5.452 12.126 1.00 0.00 C ATOM 0 H PHE A 57 -8.484 -8.278 15.664 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.828 -9.878 13.585 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.724 -7.688 13.354 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.265 -8.679 12.014 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.897 -5.761 13.967 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.681 -8.543 11.329 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.672 -4.150 13.468 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.466 -6.944 10.844 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.462 -4.744 11.909 1.00 0.00 H new ATOM 877 N LEU A 58 -7.773 -11.285 13.138 1.00 0.00 N ATOM 878 CA LEU A 58 -6.677 -12.222 13.028 1.00 0.00 C ATOM 879 C LEU A 58 -6.236 -12.357 11.583 1.00 0.00 C ATOM 880 O LEU A 58 -7.038 -12.218 10.665 1.00 0.00 O ATOM 881 CB LEU A 58 -7.041 -13.602 13.601 1.00 0.00 C ATOM 882 CG LEU A 58 -6.830 -13.774 15.110 1.00 0.00 C ATOM 883 CD1 LEU A 58 -7.922 -13.096 15.910 1.00 0.00 C ATOM 884 CD2 LEU A 58 -6.709 -15.239 15.480 1.00 0.00 C ATOM 0 H LEU A 58 -8.545 -11.468 12.497 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.852 -11.825 13.619 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.088 -13.804 13.374 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.451 -14.357 13.082 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.890 -13.284 15.365 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.737 -13.241 16.974 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.929 -12.030 15.685 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.887 -13.529 15.648 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.560 -15.331 16.556 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.621 -15.763 15.194 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.859 -15.677 14.957 1.00 0.00 H new ATOM 896 N PHE A 59 -4.963 -12.606 11.385 1.00 0.00 N ATOM 897 CA PHE A 59 -4.430 -12.800 10.059 1.00 0.00 C ATOM 898 C PHE A 59 -3.785 -14.168 10.008 1.00 0.00 C ATOM 899 O PHE A 59 -2.894 -14.451 10.799 1.00 0.00 O ATOM 900 CB PHE A 59 -3.376 -11.730 9.725 1.00 0.00 C ATOM 901 CG PHE A 59 -3.026 -11.669 8.255 1.00 0.00 C ATOM 902 CD1 PHE A 59 -3.517 -10.653 7.460 1.00 0.00 C ATOM 903 CD2 PHE A 59 -2.236 -12.645 7.666 1.00 0.00 C ATOM 904 CE1 PHE A 59 -3.230 -10.604 6.110 1.00 0.00 C ATOM 905 CE2 PHE A 59 -1.942 -12.598 6.316 1.00 0.00 C ATOM 906 CZ PHE A 59 -2.440 -11.576 5.539 1.00 0.00 C ATOM 0 H PHE A 59 -4.273 -12.679 12.133 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.237 -12.719 9.331 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.745 -10.755 10.044 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.471 -11.931 10.298 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.135 -9.885 7.900 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.846 -13.451 8.269 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.625 -9.803 5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.322 -13.362 5.871 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.211 -11.537 4.484 1.00 0.00 H new ATOM 916 N ASP A 60 -4.259 -15.023 9.115 1.00 0.00 N ATOM 917 CA ASP A 60 -3.706 -16.384 8.953 1.00 0.00 C ATOM 918 C ASP A 60 -3.862 -17.192 10.251 1.00 0.00 C ATOM 919 O ASP A 60 -3.148 -18.165 10.493 1.00 0.00 O ATOM 920 CB ASP A 60 -2.225 -16.302 8.537 1.00 0.00 C ATOM 921 CG ASP A 60 -1.643 -17.634 8.095 1.00 0.00 C ATOM 922 OD1 ASP A 60 -2.146 -18.206 7.109 1.00 0.00 O ATOM 923 OD2 ASP A 60 -0.662 -18.101 8.717 1.00 0.00 O ATOM 0 H ASP A 60 -5.030 -14.809 8.482 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.263 -16.898 8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.124 -15.583 7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.642 -15.920 9.375 1.00 0.00 H new ATOM 928 N GLY A 61 -4.830 -16.795 11.056 1.00 0.00 N ATOM 929 CA GLY A 61 -5.102 -17.477 12.301 1.00 0.00 C ATOM 930 C GLY A 61 -4.284 -16.944 13.452 1.00 0.00 C ATOM 931 O GLY A 61 -4.290 -17.515 14.546 1.00 0.00 O ATOM 0 H GLY A 61 -5.441 -16.001 10.866 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.161 -17.380 12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.899 -18.541 12.179 1.00 0.00 H new ATOM 935 N ARG A 62 -3.579 -15.849 13.230 1.00 0.00 N ATOM 936 CA ARG A 62 -2.791 -15.263 14.286 1.00 0.00 C ATOM 937 C ARG A 62 -3.229 -13.844 14.575 1.00 0.00 C ATOM 938 O ARG A 62 -3.750 -13.151 13.706 1.00 0.00 O ATOM 939 CB ARG A 62 -1.278 -15.371 13.989 1.00 0.00 C ATOM 940 CG ARG A 62 -0.732 -14.536 12.820 1.00 0.00 C ATOM 941 CD ARG A 62 -0.578 -13.062 13.176 1.00 0.00 C ATOM 942 NE ARG A 62 0.224 -12.337 12.192 1.00 0.00 N ATOM 943 CZ ARG A 62 0.453 -11.017 12.230 1.00 0.00 C ATOM 944 NH1 ARG A 62 -0.062 -10.265 13.209 1.00 0.00 N ATOM 945 NH2 ARG A 62 1.205 -10.454 11.300 1.00 0.00 N ATOM 0 H ARG A 62 -3.539 -15.357 12.338 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.968 -15.836 15.196 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.735 -15.086 14.890 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.046 -16.418 13.794 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.235 -14.935 12.513 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.402 -14.632 11.966 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.564 -12.603 13.248 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.112 -12.974 14.158 1.00 0.00 H new ATOM 0 HE ARG A 62 0.636 -12.871 11.427 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.635 -10.695 13.935 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.118 -9.261 13.229 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.609 -11.024 10.557 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.381 -9.450 11.326 1.00 0.00 H new ATOM 959 N ARG A 63 -3.014 -13.427 15.797 1.00 0.00 N ATOM 960 CA ARG A 63 -3.445 -12.125 16.276 1.00 0.00 C ATOM 961 C ARG A 63 -2.718 -10.999 15.557 1.00 0.00 C ATOM 962 O ARG A 63 -1.501 -11.047 15.383 1.00 0.00 O ATOM 963 CB ARG A 63 -3.145 -12.024 17.769 1.00 0.00 C ATOM 964 CG ARG A 63 -3.801 -13.101 18.614 1.00 0.00 C ATOM 965 CD ARG A 63 -5.293 -12.893 18.745 1.00 0.00 C ATOM 966 NE ARG A 63 -5.601 -11.672 19.497 1.00 0.00 N ATOM 967 CZ ARG A 63 -6.790 -11.395 20.038 1.00 0.00 C ATOM 968 NH1 ARG A 63 -7.796 -12.261 19.927 1.00 0.00 N ATOM 969 NH2 ARG A 63 -6.968 -10.256 20.699 1.00 0.00 N ATOM 0 H ARG A 63 -2.529 -13.984 16.501 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.513 -12.026 16.083 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.066 -12.072 17.915 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.472 -11.048 18.128 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.610 -14.077 18.168 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.348 -13.109 19.606 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.742 -12.834 17.753 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.739 -13.752 19.246 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.855 -10.987 19.615 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.660 -13.140 19.427 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.703 -12.045 20.342 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.197 -9.595 20.793 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.876 -10.043 21.113 1.00 0.00 H new ATOM 983 N ILE A 64 -3.464 -9.999 15.131 1.00 0.00 N ATOM 984 CA ILE A 64 -2.865 -8.803 14.564 1.00 0.00 C ATOM 985 C ILE A 64 -2.520 -7.888 15.710 1.00 0.00 C ATOM 986 O ILE A 64 -3.349 -7.642 16.592 1.00 0.00 O ATOM 987 CB ILE A 64 -3.803 -8.099 13.548 1.00 0.00 C ATOM 988 CG1 ILE A 64 -4.127 -9.068 12.404 1.00 0.00 C ATOM 989 CG2 ILE A 64 -3.147 -6.826 12.995 1.00 0.00 C ATOM 990 CD1 ILE A 64 -5.174 -8.563 11.439 1.00 0.00 C ATOM 0 H ILE A 64 -4.483 -9.989 15.166 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.971 -9.073 14.001 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.724 -7.811 14.055 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.211 -9.278 11.851 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.467 -10.013 12.829 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.822 -6.348 12.285 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.937 -6.139 13.815 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.215 -7.086 12.492 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.343 -9.309 10.662 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.105 -8.381 11.975 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.830 -7.635 10.982 1.00 0.00 H new ATOM 1002 N ASN A 65 -1.303 -7.423 15.724 1.00 0.00 N ATOM 1003 CA ASN A 65 -0.787 -6.675 16.843 1.00 0.00 C ATOM 1004 C ASN A 65 -0.595 -5.226 16.482 1.00 0.00 C ATOM 1005 O ASN A 65 -0.597 -4.857 15.316 1.00 0.00 O ATOM 1006 CB ASN A 65 0.557 -7.260 17.288 1.00 0.00 C ATOM 1007 CG ASN A 65 0.477 -8.738 17.614 1.00 0.00 C ATOM 1008 OD1 ASN A 65 0.051 -9.126 18.694 1.00 0.00 O ATOM 1009 ND2 ASN A 65 0.904 -9.570 16.680 1.00 0.00 N ATOM 0 H ASN A 65 -0.638 -7.550 14.961 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.511 -6.744 17.655 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.294 -7.106 16.499 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.911 -6.718 18.165 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.886 -10.576 16.846 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.252 -9.206 15.793 1.00 0.00 H new ATOM 1016 N ASP A 66 -0.482 -4.392 17.485 1.00 0.00 N ATOM 1017 CA ASP A 66 -0.168 -3.001 17.263 1.00 0.00 C ATOM 1018 C ASP A 66 1.341 -2.832 17.115 1.00 0.00 C ATOM 1019 O ASP A 66 1.831 -1.755 16.784 1.00 0.00 O ATOM 1020 CB ASP A 66 -0.703 -2.124 18.400 1.00 0.00 C ATOM 1021 CG ASP A 66 -0.144 -2.498 19.757 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -0.411 -3.625 20.224 1.00 0.00 O ATOM 1023 OD2 ASP A 66 0.542 -1.665 20.370 1.00 0.00 O ATOM 0 H ASP A 66 -0.603 -4.651 18.464 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.655 -2.678 16.343 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.462 -1.082 18.190 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.790 -2.201 18.428 1.00 0.00 H new ATOM 1028 N ASP A 67 2.066 -3.922 17.372 1.00 0.00 N ATOM 1029 CA ASP A 67 3.508 -3.948 17.294 1.00 0.00 C ATOM 1030 C ASP A 67 4.007 -4.624 16.022 1.00 0.00 C ATOM 1031 O ASP A 67 5.190 -4.519 15.690 1.00 0.00 O ATOM 1032 CB ASP A 67 4.074 -4.709 18.481 1.00 0.00 C ATOM 1033 CG ASP A 67 3.744 -4.103 19.817 1.00 0.00 C ATOM 1034 OD1 ASP A 67 4.114 -2.938 20.058 1.00 0.00 O ATOM 1035 OD2 ASP A 67 3.135 -4.800 20.649 1.00 0.00 O ATOM 0 H ASP A 67 1.654 -4.815 17.642 1.00 0.00 H new ATOM 0 HA ASP A 67 3.842 -2.911 17.293 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.697 -5.732 18.456 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.158 -4.766 18.378 1.00 0.00 H new ATOM 1040 N ASP A 68 3.124 -5.318 15.308 1.00 0.00 N ATOM 1041 CA ASP A 68 3.549 -6.085 14.145 1.00 0.00 C ATOM 1042 C ASP A 68 3.934 -5.206 12.958 1.00 0.00 C ATOM 1043 O ASP A 68 3.708 -3.998 12.960 1.00 0.00 O ATOM 1044 CB ASP A 68 2.528 -7.175 13.763 1.00 0.00 C ATOM 1045 CG ASP A 68 1.157 -6.673 13.418 1.00 0.00 C ATOM 1046 OD1 ASP A 68 1.012 -5.499 13.046 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.204 -7.488 13.533 1.00 0.00 O ATOM 0 H ASP A 68 2.126 -5.364 15.511 1.00 0.00 H new ATOM 0 HA ASP A 68 4.463 -6.600 14.441 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.918 -7.733 12.912 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.442 -7.877 14.592 1.00 0.00 H new ATOM 1052 N THR A 69 4.573 -5.818 11.978 1.00 0.00 N ATOM 1053 CA THR A 69 5.067 -5.115 10.812 1.00 0.00 C ATOM 1054 C THR A 69 4.444 -5.672 9.531 1.00 0.00 C ATOM 1055 O THR A 69 3.966 -6.804 9.516 1.00 0.00 O ATOM 1056 CB THR A 69 6.600 -5.233 10.736 1.00 0.00 C ATOM 1057 OG1 THR A 69 6.977 -6.616 10.740 1.00 0.00 O ATOM 1058 CG2 THR A 69 7.254 -4.518 11.905 1.00 0.00 C ATOM 0 H THR A 69 4.764 -6.820 11.970 1.00 0.00 H new ATOM 0 HA THR A 69 4.787 -4.066 10.905 1.00 0.00 H new ATOM 0 HB THR A 69 6.939 -4.764 9.812 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.953 -6.689 10.690 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.337 -4.615 11.831 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.981 -3.463 11.885 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.913 -4.963 12.840 1.00 0.00 H new ATOM 1066 N PRO A 70 4.471 -4.894 8.427 1.00 0.00 N ATOM 1067 CA PRO A 70 3.850 -5.289 7.145 1.00 0.00 C ATOM 1068 C PRO A 70 4.369 -6.620 6.594 1.00 0.00 C ATOM 1069 O PRO A 70 3.630 -7.351 5.945 1.00 0.00 O ATOM 1070 CB PRO A 70 4.244 -4.147 6.191 1.00 0.00 C ATOM 1071 CG PRO A 70 5.348 -3.425 6.884 1.00 0.00 C ATOM 1072 CD PRO A 70 5.062 -3.551 8.341 1.00 0.00 C ATOM 0 HA PRO A 70 2.777 -5.437 7.264 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.571 -4.535 5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.400 -3.485 5.999 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.316 -3.860 6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.382 -2.379 6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.967 -3.465 8.942 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.374 -2.780 8.689 1.00 0.00 H new ATOM 1080 N LYS A 71 5.624 -6.936 6.866 1.00 0.00 N ATOM 1081 CA LYS A 71 6.210 -8.181 6.384 1.00 0.00 C ATOM 1082 C LYS A 71 5.615 -9.382 7.107 1.00 0.00 C ATOM 1083 O LYS A 71 5.190 -10.344 6.476 1.00 0.00 O ATOM 1084 CB LYS A 71 7.696 -8.135 6.583 1.00 0.00 C ATOM 1085 CG LYS A 71 8.074 -7.869 8.010 1.00 0.00 C ATOM 1086 CD LYS A 71 9.249 -6.991 8.093 1.00 0.00 C ATOM 1087 CE LYS A 71 8.915 -5.596 7.606 1.00 0.00 C ATOM 1088 NZ LYS A 71 10.086 -4.689 7.672 1.00 0.00 N ATOM 0 H LYS A 71 6.256 -6.353 7.415 1.00 0.00 H new ATOM 0 HA LYS A 71 5.986 -8.290 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.132 -9.082 6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.121 -7.359 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.235 -7.408 8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.285 -8.812 8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.603 -6.946 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.061 -7.405 7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.554 -5.647 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.105 -5.186 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.814 -3.745 7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.416 -4.619 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.851 -5.066 7.077 1.00 0.00 H new ATOM 1102 N THR A 72 5.566 -9.311 8.440 1.00 0.00 N ATOM 1103 CA THR A 72 4.984 -10.382 9.215 1.00 0.00 C ATOM 1104 C THR A 72 3.466 -10.401 9.021 1.00 0.00 C ATOM 1105 O THR A 72 2.824 -11.447 9.137 1.00 0.00 O ATOM 1106 CB THR A 72 5.365 -10.306 10.724 1.00 0.00 C ATOM 1107 OG1 THR A 72 5.017 -11.529 11.383 1.00 0.00 O ATOM 1108 CG2 THR A 72 4.668 -9.153 11.417 1.00 0.00 C ATOM 0 H THR A 72 5.921 -8.528 8.989 1.00 0.00 H new ATOM 0 HA THR A 72 5.399 -11.320 8.847 1.00 0.00 H new ATOM 0 HB THR A 72 6.441 -10.145 10.782 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.262 -11.471 12.330 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.958 -9.131 12.468 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.956 -8.215 10.942 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.588 -9.282 11.341 1.00 0.00 H new ATOM 1116 N LEU A 73 2.885 -9.230 8.727 1.00 0.00 N ATOM 1117 CA LEU A 73 1.470 -9.164 8.403 1.00 0.00 C ATOM 1118 C LEU A 73 1.226 -9.784 7.050 1.00 0.00 C ATOM 1119 O LEU A 73 0.154 -10.307 6.793 1.00 0.00 O ATOM 1120 CB LEU A 73 0.968 -7.721 8.411 1.00 0.00 C ATOM 1121 CG LEU A 73 0.849 -7.057 9.775 1.00 0.00 C ATOM 1122 CD1 LEU A 73 0.646 -5.560 9.611 1.00 0.00 C ATOM 1123 CD2 LEU A 73 -0.326 -7.655 10.525 1.00 0.00 C ATOM 0 H LEU A 73 3.371 -8.333 8.709 1.00 0.00 H new ATOM 0 HA LEU A 73 0.920 -9.719 9.163 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.639 -7.122 7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.011 -7.696 7.932 1.00 0.00 H new ATOM 0 HG LEU A 73 1.766 -7.228 10.338 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.562 -5.094 10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.496 -5.134 9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.266 -5.377 9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.413 -7.181 11.503 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.242 -7.489 9.958 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.168 -8.726 10.654 1.00 0.00 H new ATOM 1135 N GLU A 74 2.259 -9.739 6.192 1.00 0.00 N ATOM 1136 CA GLU A 74 2.216 -10.367 4.868 1.00 0.00 C ATOM 1137 C GLU A 74 0.988 -9.889 4.062 1.00 0.00 C ATOM 1138 O GLU A 74 0.467 -10.601 3.208 1.00 0.00 O ATOM 1139 CB GLU A 74 2.206 -11.891 5.046 1.00 0.00 C ATOM 1140 CG GLU A 74 2.641 -12.677 3.829 1.00 0.00 C ATOM 1141 CD GLU A 74 2.786 -14.148 4.129 1.00 0.00 C ATOM 1142 OE1 GLU A 74 1.789 -14.886 4.011 1.00 0.00 O ATOM 1143 OE2 GLU A 74 3.898 -14.570 4.504 1.00 0.00 O ATOM 0 H GLU A 74 3.140 -9.269 6.398 1.00 0.00 H new ATOM 0 HA GLU A 74 3.099 -10.075 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.859 -12.149 5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.199 -12.203 5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.913 -12.540 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.591 -12.286 3.465 1.00 0.00 H new ATOM 1150 N MET A 75 0.559 -8.670 4.338 1.00 0.00 N ATOM 1151 CA MET A 75 -0.615 -8.085 3.708 1.00 0.00 C ATOM 1152 C MET A 75 -0.283 -7.513 2.337 1.00 0.00 C ATOM 1153 O MET A 75 0.846 -7.081 2.085 1.00 0.00 O ATOM 1154 CB MET A 75 -1.159 -6.983 4.606 1.00 0.00 C ATOM 1155 CG MET A 75 -1.589 -7.495 5.962 1.00 0.00 C ATOM 1156 SD MET A 75 -1.920 -6.184 7.163 1.00 0.00 S ATOM 1157 CE MET A 75 -3.365 -5.410 6.473 1.00 0.00 C ATOM 0 H MET A 75 1.017 -8.053 5.009 1.00 0.00 H new ATOM 0 HA MET A 75 -1.363 -8.866 3.571 1.00 0.00 H new ATOM 0 HB2 MET A 75 -0.395 -6.216 4.737 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.008 -6.507 4.116 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.487 -8.102 5.843 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.812 -8.149 6.357 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.697 -4.608 7.132 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.124 -4.999 5.493 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.160 -6.149 6.371 1.00 0.00 H new ATOM 1167 N GLU A 76 -1.271 -7.514 1.464 1.00 0.00 N ATOM 1168 CA GLU A 76 -1.139 -6.966 0.133 1.00 0.00 C ATOM 1169 C GLU A 76 -2.471 -6.378 -0.270 1.00 0.00 C ATOM 1170 O GLU A 76 -3.431 -6.441 0.504 1.00 0.00 O ATOM 1171 CB GLU A 76 -0.712 -8.032 -0.883 1.00 0.00 C ATOM 1172 CG GLU A 76 -1.722 -9.148 -1.074 1.00 0.00 C ATOM 1173 CD GLU A 76 -1.417 -10.006 -2.280 1.00 0.00 C ATOM 1174 OE1 GLU A 76 -2.080 -9.818 -3.322 1.00 0.00 O ATOM 1175 OE2 GLU A 76 -0.516 -10.869 -2.200 1.00 0.00 O ATOM 0 H GLU A 76 -2.195 -7.899 1.662 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.363 -6.201 0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.533 -7.551 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.235 -8.465 -0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.739 -9.774 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.718 -8.718 -1.181 1.00 0.00 H new ATOM 1182 N ASP A 77 -2.541 -5.802 -1.453 1.00 0.00 N ATOM 1183 CA ASP A 77 -3.775 -5.210 -1.923 1.00 0.00 C ATOM 1184 C ASP A 77 -4.892 -6.221 -2.022 1.00 0.00 C ATOM 1185 O ASP A 77 -4.781 -7.248 -2.701 1.00 0.00 O ATOM 1186 CB ASP A 77 -3.584 -4.513 -3.262 1.00 0.00 C ATOM 1187 CG ASP A 77 -3.001 -3.139 -3.109 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -3.770 -2.201 -2.819 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -1.776 -2.986 -3.274 1.00 0.00 O ATOM 0 H ASP A 77 -1.759 -5.732 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.061 -4.466 -1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.930 -5.115 -3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.544 -4.443 -3.773 1.00 0.00 H new ATOM 1194 N ASP A 78 -5.960 -5.903 -1.326 1.00 0.00 N ATOM 1195 CA ASP A 78 -7.194 -6.671 -1.303 1.00 0.00 C ATOM 1196 C ASP A 78 -6.971 -8.048 -0.682 1.00 0.00 C ATOM 1197 O ASP A 78 -7.597 -9.034 -1.069 1.00 0.00 O ATOM 1198 CB ASP A 78 -7.798 -6.759 -2.710 1.00 0.00 C ATOM 1199 CG ASP A 78 -9.257 -7.165 -2.718 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -10.101 -6.371 -2.245 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -9.573 -8.257 -3.234 1.00 0.00 O ATOM 0 H ASP A 78 -5.999 -5.072 -0.737 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.916 -6.154 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.696 -5.792 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.226 -7.477 -3.298 1.00 0.00 H new ATOM 1206 N ASP A 79 -6.063 -8.108 0.305 1.00 0.00 N ATOM 1207 CA ASP A 79 -5.833 -9.346 1.040 1.00 0.00 C ATOM 1208 C ASP A 79 -6.967 -9.531 2.028 1.00 0.00 C ATOM 1209 O ASP A 79 -7.840 -8.674 2.138 1.00 0.00 O ATOM 1210 CB ASP A 79 -4.491 -9.344 1.771 1.00 0.00 C ATOM 1211 CG ASP A 79 -3.926 -10.748 1.951 1.00 0.00 C ATOM 1212 OD1 ASP A 79 -4.401 -11.477 2.831 1.00 0.00 O ATOM 1213 OD2 ASP A 79 -3.007 -11.125 1.192 1.00 0.00 O ATOM 0 H ASP A 79 -5.487 -7.321 0.604 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.801 -10.172 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.778 -8.737 1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.613 -8.876 2.748 1.00 0.00 H new ATOM 1218 N VAL A 80 -6.959 -10.608 2.749 1.00 0.00 N ATOM 1219 CA VAL A 80 -8.060 -10.909 3.623 1.00 0.00 C ATOM 1220 C VAL A 80 -7.661 -10.881 5.084 1.00 0.00 C ATOM 1221 O VAL A 80 -6.528 -11.186 5.451 1.00 0.00 O ATOM 1222 CB VAL A 80 -8.673 -12.280 3.290 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -9.256 -12.264 1.897 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -7.628 -13.373 3.410 1.00 0.00 C ATOM 0 H VAL A 80 -6.206 -11.296 2.753 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.802 -10.128 3.458 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.471 -12.486 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.687 -13.239 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.032 -11.501 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.470 -12.040 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.079 -14.336 3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.811 -13.173 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.241 -13.397 4.429 1.00 0.00 H new ATOM 1234 N ILE A 81 -8.610 -10.507 5.897 1.00 0.00 N ATOM 1235 CA ILE A 81 -8.452 -10.457 7.323 1.00 0.00 C ATOM 1236 C ILE A 81 -9.564 -11.280 7.954 1.00 0.00 C ATOM 1237 O ILE A 81 -10.720 -11.207 7.521 1.00 0.00 O ATOM 1238 CB ILE A 81 -8.471 -8.979 7.851 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -7.071 -8.533 8.290 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -9.463 -8.792 8.983 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -6.070 -8.425 7.163 1.00 0.00 C ATOM 0 H ILE A 81 -9.536 -10.222 5.578 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.482 -10.872 7.598 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.794 -8.350 7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.149 -7.565 8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.693 -9.239 9.030 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.442 -7.755 9.317 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -10.465 -9.041 8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.195 -9.446 9.813 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.107 -8.104 7.561 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.958 -9.396 6.681 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.422 -7.696 6.433 1.00 0.00 H new ATOM 1253 N GLU A 82 -9.224 -12.067 8.944 1.00 0.00 N ATOM 1254 CA GLU A 82 -10.186 -12.944 9.559 1.00 0.00 C ATOM 1255 C GLU A 82 -10.704 -12.355 10.849 1.00 0.00 C ATOM 1256 O GLU A 82 -9.954 -11.771 11.627 1.00 0.00 O ATOM 1257 CB GLU A 82 -9.552 -14.291 9.829 1.00 0.00 C ATOM 1258 CG GLU A 82 -8.973 -14.943 8.590 1.00 0.00 C ATOM 1259 CD GLU A 82 -8.295 -16.252 8.892 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -7.054 -16.265 9.026 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -8.999 -17.279 8.999 1.00 0.00 O ATOM 0 H GLU A 82 -8.286 -12.118 9.341 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.026 -13.067 8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.762 -14.170 10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.299 -14.955 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.769 -15.109 7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.256 -14.264 8.127 1.00 0.00 H new ATOM 1268 N VAL A 83 -11.980 -12.501 11.065 1.00 0.00 N ATOM 1269 CA VAL A 83 -12.608 -12.022 12.271 1.00 0.00 C ATOM 1270 C VAL A 83 -13.310 -13.148 12.969 1.00 0.00 C ATOM 1271 O VAL A 83 -14.064 -13.902 12.352 1.00 0.00 O ATOM 1272 CB VAL A 83 -13.641 -10.911 11.989 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -14.332 -10.461 13.270 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -12.992 -9.743 11.328 1.00 0.00 C ATOM 0 H VAL A 83 -12.618 -12.955 10.412 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.815 -11.612 12.896 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.394 -11.326 11.318 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.054 -9.678 13.038 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.848 -11.308 13.722 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.589 -10.075 13.968 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.738 -8.971 11.138 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.214 -9.343 11.978 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.549 -10.059 10.384 1.00 0.00 H new ATOM 1284 N TYR A 84 -13.056 -13.274 14.230 1.00 0.00 N ATOM 1285 CA TYR A 84 -13.746 -14.219 15.037 1.00 0.00 C ATOM 1286 C TYR A 84 -14.824 -13.482 15.770 1.00 0.00 C ATOM 1287 O TYR A 84 -14.667 -12.300 16.067 1.00 0.00 O ATOM 1288 CB TYR A 84 -12.792 -14.928 15.981 1.00 0.00 C ATOM 1289 CG TYR A 84 -11.871 -15.885 15.261 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -10.634 -15.475 14.783 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -12.255 -17.200 15.046 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -9.801 -16.348 14.111 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -11.429 -18.084 14.378 1.00 0.00 C ATOM 1294 CZ TYR A 84 -10.204 -17.654 13.911 1.00 0.00 C ATOM 1295 OH TYR A 84 -9.382 -18.530 13.239 1.00 0.00 O ATOM 0 H TYR A 84 -12.360 -12.720 14.730 1.00 0.00 H new ATOM 0 HA TYR A 84 -14.192 -15.000 14.421 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -12.196 -14.187 16.514 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -13.366 -15.475 16.729 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -10.317 -14.454 14.939 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.215 -17.539 15.406 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.842 -16.012 13.745 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.741 -19.106 14.222 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.814 -19.408 13.185 1.00 0.00 H new ATOM 1305 N GLN A 85 -15.913 -14.148 16.051 1.00 0.00 N ATOM 1306 CA GLN A 85 -17.065 -13.469 16.597 1.00 0.00 C ATOM 1307 C GLN A 85 -16.797 -12.997 18.024 1.00 0.00 C ATOM 1308 O GLN A 85 -16.776 -13.789 18.975 1.00 0.00 O ATOM 1309 CB GLN A 85 -18.293 -14.369 16.499 1.00 0.00 C ATOM 1310 CG GLN A 85 -19.602 -13.676 16.804 1.00 0.00 C ATOM 1311 CD GLN A 85 -20.798 -14.538 16.469 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -20.739 -15.767 16.544 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -21.882 -13.907 16.079 1.00 0.00 N ATOM 0 H GLN A 85 -16.029 -15.152 15.913 1.00 0.00 H new ATOM 0 HA GLN A 85 -17.266 -12.573 16.009 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.343 -14.787 15.493 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -18.170 -15.206 17.186 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -19.633 -13.411 17.861 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.658 -12.745 16.240 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -21.890 -12.888 16.031 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -22.716 -14.436 15.825 1.00 0.00 H new ATOM 1322 N GLU A 86 -16.633 -11.673 18.133 1.00 0.00 N ATOM 1323 CA GLU A 86 -16.256 -10.967 19.320 1.00 0.00 C ATOM 1324 C GLU A 86 -16.080 -9.528 19.045 1.00 0.00 C ATOM 1325 O GLU A 86 -15.232 -9.117 18.255 1.00 0.00 O ATOM 1326 CB GLU A 86 -15.035 -11.524 19.987 1.00 0.00 C ATOM 1327 CG GLU A 86 -15.403 -12.200 21.256 1.00 0.00 C ATOM 1328 CD GLU A 86 -15.881 -11.219 22.320 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -17.097 -10.899 22.340 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -15.059 -10.774 23.147 1.00 0.00 O ATOM 0 H GLU A 86 -16.773 -11.049 17.339 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.080 -11.103 20.021 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.539 -12.231 19.321 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.324 -10.722 20.187 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.188 -12.931 21.061 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.542 -12.751 21.634 1.00 0.00 H new ATOM 1337 N GLN A 87 -16.941 -8.780 19.652 1.00 0.00 N ATOM 1338 CA GLN A 87 -16.949 -7.397 19.611 1.00 0.00 C ATOM 1339 C GLN A 87 -17.679 -6.896 20.812 1.00 0.00 C ATOM 1340 O GLN A 87 -17.990 -5.729 20.929 1.00 0.00 O ATOM 1341 CB GLN A 87 -17.662 -7.017 18.412 1.00 0.00 C ATOM 1342 CG GLN A 87 -19.082 -7.550 18.285 1.00 0.00 C ATOM 1343 CD GLN A 87 -19.755 -7.112 16.988 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -19.484 -6.030 16.465 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -20.631 -7.946 16.462 1.00 0.00 N ATOM 0 H GLN A 87 -17.696 -9.166 20.219 1.00 0.00 H new ATOM 0 HA GLN A 87 -15.941 -6.983 19.606 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.698 -5.929 18.363 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.089 -7.356 17.549 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.064 -8.639 18.332 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.674 -7.204 19.133 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.830 -8.834 16.923 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -21.109 -7.703 15.594 1.00 0.00 H new ATOM 1354 N LEU A 88 -17.872 -7.825 21.714 1.00 0.00 N ATOM 1355 CA LEU A 88 -18.728 -7.708 22.903 1.00 0.00 C ATOM 1356 C LEU A 88 -20.118 -8.186 22.518 1.00 0.00 C ATOM 1357 O LEU A 88 -21.017 -8.309 23.349 1.00 0.00 O ATOM 1358 CB LEU A 88 -18.756 -6.284 23.501 1.00 0.00 C ATOM 1359 CG LEU A 88 -19.566 -6.107 24.793 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -19.002 -6.980 25.905 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -19.576 -4.648 25.217 1.00 0.00 C ATOM 0 H LEU A 88 -17.420 -8.737 21.650 1.00 0.00 H new ATOM 0 HA LEU A 88 -18.315 -8.329 23.698 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.729 -5.974 23.695 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -19.158 -5.605 22.749 1.00 0.00 H new ATOM 0 HG LEU A 88 -20.592 -6.419 24.600 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -19.590 -6.840 26.812 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -19.045 -8.026 25.603 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -17.966 -6.700 26.098 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -20.154 -4.540 26.134 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -18.554 -4.313 25.391 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -20.027 -4.044 24.430 1.00 0.00 H new