USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 621 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 14 SER OG : rot -34:sc= 0.29! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -111:sc= -4.39! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 130:sc=-0.00248 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0378 USER MOD Single : A 31 HIS : no HD1:sc= -3.36! C(o=-3.4!,f=-3.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= -0.536 (180deg=-0.648) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0992 USER MOD Single : A 40 LYS NZ :NH3+ -141:sc= 0.231 (180deg=-0.0286) USER MOD Single : A 41 ASN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 56 THR OG1 : rot -110:sc= -1.57! USER MOD Single : A 58 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.013) USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= 0.97 (180deg=-0.418!) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= -1.23 (180deg=-1.35) USER MOD Single : A 82 GLN : amide:sc= -6.2! C(o=-6.2!,f=-14!) USER MOD Single : A 87 GLN : amide:sc= -7.88! C(o=-7.9!,f=-14!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -2.673 -10.125 5.277 1.00 0.00 N ATOM 100 CA VAL A 7 -2.798 -9.529 3.917 1.00 0.00 C ATOM 101 C VAL A 7 -3.828 -8.403 3.923 1.00 0.00 C ATOM 102 O VAL A 7 -4.592 -8.263 4.855 1.00 0.00 O ATOM 103 CB VAL A 7 -3.307 -10.668 3.041 1.00 0.00 C ATOM 104 CG1 VAL A 7 -3.665 -10.148 1.661 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.243 -11.738 2.879 1.00 0.00 C ATOM 0 HA VAL A 7 -1.854 -9.111 3.568 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.186 -11.091 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.027 -10.971 1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.444 -9.390 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.782 -9.709 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.627 -12.541 2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.359 -11.304 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.978 -12.138 3.857 1.00 0.00 H new ATOM 115 N ILE A 8 -3.855 -7.634 2.864 1.00 0.00 N ATOM 116 CA ILE A 8 -4.834 -6.508 2.716 1.00 0.00 C ATOM 117 C ILE A 8 -5.568 -6.200 4.026 1.00 0.00 C ATOM 118 O ILE A 8 -6.639 -6.712 4.283 1.00 0.00 O ATOM 119 CB ILE A 8 -5.815 -7.010 1.660 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.055 -7.453 0.411 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.753 -5.874 1.266 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.030 -8.126 -0.554 1.00 0.00 C ATOM 0 H ILE A 8 -3.221 -7.742 2.072 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.338 -5.578 2.439 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.377 -7.849 2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.585 -6.594 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.257 -8.144 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.456 -6.228 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.303 -5.535 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.171 -5.046 0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.495 -8.445 -1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.479 -8.994 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.812 -7.420 -0.832 1.00 0.00 H new ATOM 134 N LEU A 9 -4.999 -5.369 4.855 1.00 0.00 N ATOM 135 CA LEU A 9 -5.664 -5.034 6.146 1.00 0.00 C ATOM 136 C LEU A 9 -6.939 -4.215 5.888 1.00 0.00 C ATOM 137 O LEU A 9 -7.935 -4.739 5.433 1.00 0.00 O ATOM 138 CB LEU A 9 -4.629 -4.219 6.923 1.00 0.00 C ATOM 139 CG LEU A 9 -3.513 -5.146 7.410 1.00 0.00 C ATOM 140 CD1 LEU A 9 -2.246 -4.328 7.669 1.00 0.00 C ATOM 141 CD2 LEU A 9 -3.951 -5.831 8.707 1.00 0.00 C ATOM 0 H LEU A 9 -4.103 -4.908 4.695 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.973 -5.920 6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.215 -3.436 6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.102 -3.724 7.771 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.309 -5.900 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.451 -4.988 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.934 -3.838 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.449 -3.574 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.157 -6.492 9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.154 -5.076 9.467 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.854 -6.414 8.524 1.00 0.00 H new ATOM 153 N ALA A 10 -6.921 -2.938 6.174 1.00 0.00 N ATOM 154 CA ALA A 10 -8.139 -2.110 5.938 1.00 0.00 C ATOM 155 C ALA A 10 -7.923 -1.172 4.747 1.00 0.00 C ATOM 156 O ALA A 10 -6.801 -0.876 4.385 1.00 0.00 O ATOM 157 CB ALA A 10 -8.327 -1.306 7.225 1.00 0.00 C ATOM 0 H ALA A 10 -6.120 -2.437 6.558 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.012 -2.720 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.207 -0.669 7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.461 -1.989 8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.447 -0.686 7.399 1.00 0.00 H new ATOM 163 N PRO A 11 -9.013 -0.733 4.179 1.00 0.00 N ATOM 164 CA PRO A 11 -8.951 0.187 3.016 1.00 0.00 C ATOM 165 C PRO A 11 -8.528 1.587 3.467 1.00 0.00 C ATOM 166 O PRO A 11 -8.612 1.927 4.630 1.00 0.00 O ATOM 167 CB PRO A 11 -10.385 0.196 2.492 1.00 0.00 C ATOM 168 CG PRO A 11 -11.232 -0.171 3.669 1.00 0.00 C ATOM 169 CD PRO A 11 -10.393 -1.049 4.563 1.00 0.00 C ATOM 0 HA PRO A 11 -8.228 -0.122 2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.656 1.177 2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.512 -0.517 1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.558 0.722 4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.131 -0.696 3.347 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.573 -0.834 5.616 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.618 -2.105 4.410 1.00 0.00 H new ATOM 177 N VAL A 12 -8.076 2.404 2.554 1.00 0.00 N ATOM 178 CA VAL A 12 -7.652 3.782 2.933 1.00 0.00 C ATOM 179 C VAL A 12 -8.708 4.798 2.493 1.00 0.00 C ATOM 180 O VAL A 12 -9.208 4.746 1.387 1.00 0.00 O ATOM 181 CB VAL A 12 -6.334 4.025 2.190 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.470 2.762 2.238 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.623 4.389 0.730 1.00 0.00 C ATOM 0 H VAL A 12 -7.982 2.177 1.564 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.532 3.889 4.011 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.801 4.846 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.534 2.941 1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.256 2.507 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.003 1.938 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.683 4.561 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.162 3.571 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.230 5.294 0.694 1.00 0.00 H new ATOM 193 N LEU A 13 -9.048 5.724 3.342 1.00 0.00 N ATOM 194 CA LEU A 13 -10.064 6.740 2.957 1.00 0.00 C ATOM 195 C LEU A 13 -9.385 8.066 2.611 1.00 0.00 C ATOM 196 O LEU A 13 -8.907 8.775 3.473 1.00 0.00 O ATOM 197 CB LEU A 13 -10.956 6.892 4.184 1.00 0.00 C ATOM 198 CG LEU A 13 -11.788 5.622 4.370 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.445 5.244 3.040 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.880 4.480 4.831 1.00 0.00 C ATOM 0 H LEU A 13 -8.668 5.822 4.283 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.634 6.442 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.347 7.073 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.611 7.755 4.066 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.559 5.799 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.038 4.339 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.092 6.057 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.674 5.067 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.473 3.575 4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.109 4.302 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.410 4.748 5.777 1.00 0.00 H new ATOM 212 N SER A 14 -9.342 8.407 1.353 1.00 0.00 N ATOM 213 CA SER A 14 -8.696 9.688 0.948 1.00 0.00 C ATOM 214 C SER A 14 -9.148 10.078 -0.461 1.00 0.00 C ATOM 215 O SER A 14 -9.397 9.234 -1.298 1.00 0.00 O ATOM 216 CB SER A 14 -7.196 9.399 0.971 1.00 0.00 C ATOM 217 OG SER A 14 -6.849 8.812 2.218 1.00 0.00 O ATOM 0 H SER A 14 -9.726 7.854 0.587 1.00 0.00 H new ATOM 0 HA SER A 14 -8.960 10.514 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.931 8.728 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.634 10.321 0.821 1.00 0.00 H new ATOM 0 HG SER A 14 -7.408 9.194 2.926 1.00 0.00 H new ATOM 223 N GLU A 15 -9.256 11.350 -0.730 1.00 0.00 N ATOM 224 CA GLU A 15 -9.693 11.789 -2.087 1.00 0.00 C ATOM 225 C GLU A 15 -8.992 10.951 -3.159 1.00 0.00 C ATOM 226 O GLU A 15 -9.626 10.342 -3.998 1.00 0.00 O ATOM 227 CB GLU A 15 -9.269 13.255 -2.186 1.00 0.00 C ATOM 228 CG GLU A 15 -10.392 14.071 -2.830 1.00 0.00 C ATOM 229 CD GLU A 15 -9.796 15.277 -3.557 1.00 0.00 C ATOM 230 OE1 GLU A 15 -9.167 16.089 -2.898 1.00 0.00 O ATOM 231 OE2 GLU A 15 -9.978 15.369 -4.760 1.00 0.00 O ATOM 0 H GLU A 15 -9.061 12.104 -0.071 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.766 11.667 -2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.044 13.647 -1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.358 13.341 -2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.951 13.450 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.096 14.404 -2.068 1.00 0.00 H new ATOM 238 N LYS A 16 -7.688 10.917 -3.138 1.00 0.00 N ATOM 239 CA LYS A 16 -6.947 10.120 -4.153 1.00 0.00 C ATOM 240 C LYS A 16 -7.440 8.670 -4.148 1.00 0.00 C ATOM 241 O LYS A 16 -7.418 7.993 -5.156 1.00 0.00 O ATOM 242 CB LYS A 16 -5.483 10.191 -3.719 1.00 0.00 C ATOM 243 CG LYS A 16 -4.688 11.011 -4.737 1.00 0.00 C ATOM 244 CD LYS A 16 -3.902 10.070 -5.651 1.00 0.00 C ATOM 245 CE LYS A 16 -3.754 10.707 -7.035 1.00 0.00 C ATOM 246 NZ LYS A 16 -2.854 9.789 -7.786 1.00 0.00 N ATOM 0 H LYS A 16 -7.104 11.408 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.091 10.501 -5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.407 10.646 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.067 9.187 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.363 11.629 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.006 11.687 -4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.919 9.869 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.416 9.112 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.720 10.805 -7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.328 11.708 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.704 10.159 -8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.940 9.721 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.288 8.846 -7.842 1.00 0.00 H new ATOM 260 N ALA A 17 -7.886 8.190 -3.018 1.00 0.00 N ATOM 261 CA ALA A 17 -8.381 6.786 -2.948 1.00 0.00 C ATOM 262 C ALA A 17 -9.833 6.717 -3.423 1.00 0.00 C ATOM 263 O ALA A 17 -10.139 6.107 -4.427 1.00 0.00 O ATOM 264 CB ALA A 17 -8.288 6.405 -1.470 1.00 0.00 C ATOM 0 H ALA A 17 -7.929 8.710 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.803 6.113 -3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.636 5.381 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.252 6.483 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.909 7.080 -0.881 1.00 0.00 H new ATOM 270 N TYR A 18 -10.729 7.340 -2.708 1.00 0.00 N ATOM 271 CA TYR A 18 -12.161 7.308 -3.117 1.00 0.00 C ATOM 272 C TYR A 18 -12.286 7.512 -4.627 1.00 0.00 C ATOM 273 O TYR A 18 -12.926 6.741 -5.315 1.00 0.00 O ATOM 274 CB TYR A 18 -12.814 8.463 -2.360 1.00 0.00 C ATOM 275 CG TYR A 18 -13.376 7.946 -1.059 1.00 0.00 C ATOM 276 CD1 TYR A 18 -14.097 6.748 -1.041 1.00 0.00 C ATOM 277 CD2 TYR A 18 -13.171 8.660 0.127 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.616 6.261 0.166 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.689 8.174 1.333 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.412 6.975 1.353 1.00 0.00 C ATOM 281 OH TYR A 18 -14.922 6.497 2.541 1.00 0.00 O ATOM 0 H TYR A 18 -10.531 7.869 -1.859 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.635 6.353 -2.889 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.082 9.248 -2.168 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.607 8.907 -2.962 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.254 6.198 -1.957 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.614 9.585 0.112 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.173 5.336 0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.531 8.724 2.249 1.00 0.00 H new ATOM 0 HH TYR A 18 -15.647 7.082 2.845 1.00 0.00 H new ATOM 291 N ALA A 19 -11.680 8.540 -5.150 1.00 0.00 N ATOM 292 CA ALA A 19 -11.768 8.784 -6.616 1.00 0.00 C ATOM 293 C ALA A 19 -11.082 7.646 -7.377 1.00 0.00 C ATOM 294 O ALA A 19 -11.392 7.371 -8.519 1.00 0.00 O ATOM 295 CB ALA A 19 -11.034 10.105 -6.847 1.00 0.00 C ATOM 0 H ALA A 19 -11.129 9.221 -4.627 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.799 8.829 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.056 10.353 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.523 10.897 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.999 10.009 -6.519 1.00 0.00 H new ATOM 301 N GLY A 20 -10.159 6.974 -6.745 1.00 0.00 N ATOM 302 CA GLY A 20 -9.458 5.845 -7.419 1.00 0.00 C ATOM 303 C GLY A 20 -10.268 4.571 -7.201 1.00 0.00 C ATOM 304 O GLY A 20 -10.494 3.798 -8.112 1.00 0.00 O ATOM 0 H GLY A 20 -9.859 7.159 -5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.351 6.048 -8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.453 5.728 -7.014 1.00 0.00 H new ATOM 308 N PHE A 21 -10.719 4.356 -5.998 1.00 0.00 N ATOM 309 CA PHE A 21 -11.530 3.144 -5.712 1.00 0.00 C ATOM 310 C PHE A 21 -12.940 3.345 -6.274 1.00 0.00 C ATOM 311 O PHE A 21 -13.649 2.402 -6.563 1.00 0.00 O ATOM 312 CB PHE A 21 -11.520 3.033 -4.175 1.00 0.00 C ATOM 313 CG PHE A 21 -12.920 2.878 -3.616 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.741 1.831 -4.052 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.391 3.784 -2.661 1.00 0.00 C ATOM 316 CE1 PHE A 21 -15.033 1.693 -3.532 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.682 3.647 -2.141 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.504 2.601 -2.576 1.00 0.00 C ATOM 0 H PHE A 21 -10.560 4.970 -5.199 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.146 2.232 -6.169 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.912 2.179 -3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.054 3.921 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.378 1.130 -4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.757 4.591 -2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.667 0.886 -3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.045 4.348 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.501 2.494 -2.174 1.00 0.00 H new ATOM 328 N ALA A 22 -13.340 4.573 -6.430 1.00 0.00 N ATOM 329 CA ALA A 22 -14.690 4.856 -6.971 1.00 0.00 C ATOM 330 C ALA A 22 -14.920 4.063 -8.259 1.00 0.00 C ATOM 331 O ALA A 22 -16.040 3.827 -8.666 1.00 0.00 O ATOM 332 CB ALA A 22 -14.677 6.355 -7.254 1.00 0.00 C ATOM 0 H ALA A 22 -12.784 5.397 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.488 4.573 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.642 6.657 -7.660 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.487 6.898 -6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.893 6.582 -7.976 1.00 0.00 H new ATOM 338 N GLU A 23 -13.863 3.651 -8.905 1.00 0.00 N ATOM 339 CA GLU A 23 -14.009 2.873 -10.168 1.00 0.00 C ATOM 340 C GLU A 23 -14.030 1.372 -9.866 1.00 0.00 C ATOM 341 O GLU A 23 -13.846 0.551 -10.742 1.00 0.00 O ATOM 342 CB GLU A 23 -12.775 3.232 -10.995 1.00 0.00 C ATOM 343 CG GLU A 23 -13.158 3.321 -12.473 1.00 0.00 C ATOM 344 CD GLU A 23 -12.166 2.510 -13.309 1.00 0.00 C ATOM 345 OE1 GLU A 23 -11.014 2.905 -13.374 1.00 0.00 O ATOM 346 OE2 GLU A 23 -12.576 1.507 -13.870 1.00 0.00 O ATOM 0 H GLU A 23 -12.901 3.821 -8.611 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.936 3.105 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.362 4.183 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.999 2.480 -10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.169 2.942 -12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.157 4.362 -12.797 1.00 0.00 H new ATOM 353 N GLY A 24 -14.250 1.007 -8.634 1.00 0.00 N ATOM 354 CA GLY A 24 -14.280 -0.430 -8.276 1.00 0.00 C ATOM 355 C GLY A 24 -12.900 -0.865 -7.778 1.00 0.00 C ATOM 356 O GLY A 24 -12.690 -2.008 -7.423 1.00 0.00 O ATOM 0 H GLY A 24 -14.411 1.649 -7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.029 -0.607 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.569 -1.025 -9.142 1.00 0.00 H new ATOM 360 N LYS A 25 -11.958 0.040 -7.744 1.00 0.00 N ATOM 361 CA LYS A 25 -10.592 -0.317 -7.264 1.00 0.00 C ATOM 362 C LYS A 25 -10.557 -0.281 -5.732 1.00 0.00 C ATOM 363 O LYS A 25 -11.248 0.499 -5.111 1.00 0.00 O ATOM 364 CB LYS A 25 -9.678 0.760 -7.856 1.00 0.00 C ATOM 365 CG LYS A 25 -9.637 0.615 -9.378 1.00 0.00 C ATOM 366 CD LYS A 25 -8.450 1.403 -9.934 1.00 0.00 C ATOM 367 CE LYS A 25 -7.887 0.679 -11.160 1.00 0.00 C ATOM 368 NZ LYS A 25 -6.425 0.562 -10.897 1.00 0.00 N ATOM 0 H LYS A 25 -12.076 1.012 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.285 -1.318 -7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.042 1.751 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.673 0.666 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.549 -0.436 -9.651 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.566 0.981 -9.814 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.764 2.411 -10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.678 1.504 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.346 -0.302 -11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.081 1.240 -12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.967 0.076 -11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.015 1.511 -10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.272 0.017 -10.024 1.00 0.00 H new ATOM 382 N TYR A 26 -9.777 -1.125 -5.110 1.00 0.00 N ATOM 383 CA TYR A 26 -9.740 -1.120 -3.618 1.00 0.00 C ATOM 384 C TYR A 26 -8.314 -1.000 -3.081 1.00 0.00 C ATOM 385 O TYR A 26 -7.554 -1.948 -3.070 1.00 0.00 O ATOM 386 CB TYR A 26 -10.366 -2.449 -3.198 1.00 0.00 C ATOM 387 CG TYR A 26 -11.793 -2.518 -3.688 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.572 -1.354 -3.755 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.340 -3.746 -4.073 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.895 -1.422 -4.207 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.663 -3.813 -4.526 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.440 -2.652 -4.593 1.00 0.00 C ATOM 393 OH TYR A 26 -15.745 -2.719 -5.039 1.00 0.00 O ATOM 0 H TYR A 26 -9.171 -1.809 -5.563 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.278 -0.262 -3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.790 -3.279 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.339 -2.548 -2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.151 -0.405 -3.458 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.741 -4.643 -4.021 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.495 -0.526 -4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.084 -4.762 -4.824 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.776 -3.210 -5.887 1.00 0.00 H new ATOM 403 N THR A 27 -7.969 0.162 -2.601 1.00 0.00 N ATOM 404 CA THR A 27 -6.621 0.378 -2.021 1.00 0.00 C ATOM 405 C THR A 27 -6.589 -0.209 -0.617 1.00 0.00 C ATOM 406 O THR A 27 -7.478 0.015 0.180 1.00 0.00 O ATOM 407 CB THR A 27 -6.439 1.896 -1.982 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.937 2.462 -3.186 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.955 2.231 -1.834 1.00 0.00 C ATOM 0 H THR A 27 -8.576 0.982 -2.587 1.00 0.00 H new ATOM 0 HA THR A 27 -5.827 -0.098 -2.596 1.00 0.00 H new ATOM 0 HB THR A 27 -6.987 2.306 -1.134 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.823 3.435 -3.162 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.827 3.313 -1.806 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.574 1.797 -0.909 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.403 1.822 -2.681 1.00 0.00 H new ATOM 417 N PHE A 28 -5.591 -0.978 -0.315 1.00 0.00 N ATOM 418 CA PHE A 28 -5.528 -1.601 1.032 1.00 0.00 C ATOM 419 C PHE A 28 -4.124 -1.512 1.614 1.00 0.00 C ATOM 420 O PHE A 28 -3.159 -1.311 0.910 1.00 0.00 O ATOM 421 CB PHE A 28 -5.874 -3.066 0.792 1.00 0.00 C ATOM 422 CG PHE A 28 -7.345 -3.220 0.504 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.293 -2.663 1.366 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.755 -3.931 -0.627 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.659 -2.816 1.095 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.119 -4.085 -0.900 1.00 0.00 C ATOM 427 CZ PHE A 28 -10.071 -3.527 -0.038 1.00 0.00 C ATOM 0 H PHE A 28 -4.816 -1.204 -0.939 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.199 -1.104 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.291 -3.451 -0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.605 -3.658 1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.973 -2.115 2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.019 -4.362 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.393 -2.386 1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.437 -4.633 -1.774 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.124 -3.645 -0.248 1.00 0.00 H new ATOM 437 N TRP A 29 -4.003 -1.732 2.891 1.00 0.00 N ATOM 438 CA TRP A 29 -2.663 -1.744 3.523 1.00 0.00 C ATOM 439 C TRP A 29 -2.312 -3.212 3.672 1.00 0.00 C ATOM 440 O TRP A 29 -3.065 -3.973 4.245 1.00 0.00 O ATOM 441 CB TRP A 29 -2.837 -1.071 4.886 1.00 0.00 C ATOM 442 CG TRP A 29 -3.142 0.381 4.695 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.369 0.938 4.818 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.231 1.468 4.356 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.269 2.297 4.574 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.972 2.670 4.285 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.848 1.526 4.104 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -2.363 3.888 3.975 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.232 2.751 3.791 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.989 3.929 3.727 1.00 0.00 C ATOM 0 H TRP A 29 -4.782 -1.905 3.526 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.882 -1.228 2.965 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.643 -1.552 5.440 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.929 -1.187 5.478 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.277 0.409 5.066 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.057 2.944 4.604 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.256 0.624 4.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.951 4.793 3.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.830 2.784 3.599 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.511 4.867 3.486 1.00 0.00 H new ATOM 461 N VAL A 30 -1.233 -3.652 3.111 1.00 0.00 N ATOM 462 CA VAL A 30 -0.955 -5.098 3.192 1.00 0.00 C ATOM 463 C VAL A 30 0.532 -5.400 3.294 1.00 0.00 C ATOM 464 O VAL A 30 1.381 -4.570 3.036 1.00 0.00 O ATOM 465 CB VAL A 30 -1.531 -5.626 1.888 1.00 0.00 C ATOM 466 CG1 VAL A 30 -1.025 -4.786 0.714 1.00 0.00 C ATOM 467 CG2 VAL A 30 -1.112 -7.062 1.688 1.00 0.00 C ATOM 0 H VAL A 30 -0.546 -3.088 2.611 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.387 -5.555 4.082 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.618 -5.565 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.443 -5.172 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.334 -3.749 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.063 -4.838 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.528 -7.435 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.024 -7.122 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.481 -7.667 2.516 1.00 0.00 H new ATOM 477 N HIS A 31 0.836 -6.606 3.670 1.00 0.00 N ATOM 478 CA HIS A 31 2.253 -7.028 3.802 1.00 0.00 C ATOM 479 C HIS A 31 2.869 -7.212 2.415 1.00 0.00 C ATOM 480 O HIS A 31 2.175 -7.175 1.418 1.00 0.00 O ATOM 481 CB HIS A 31 2.180 -8.363 4.544 1.00 0.00 C ATOM 482 CG HIS A 31 3.016 -8.297 5.793 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.159 -7.129 6.525 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.759 -9.246 6.451 1.00 0.00 C ATOM 485 CE1 HIS A 31 3.960 -7.402 7.571 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.354 -8.679 7.575 1.00 0.00 N ATOM 0 H HIS A 31 0.152 -7.328 3.895 1.00 0.00 H new ATOM 0 HA HIS A 31 2.869 -6.299 4.327 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.145 -8.592 4.799 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.535 -9.168 3.900 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.866 -10.276 6.143 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.250 -6.677 8.317 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.960 -9.139 8.255 1.00 0.00 H new ATOM 494 N PRO A 32 4.155 -7.413 2.398 1.00 0.00 N ATOM 495 CA PRO A 32 4.873 -7.614 1.119 1.00 0.00 C ATOM 496 C PRO A 32 4.590 -9.010 0.597 1.00 0.00 C ATOM 497 O PRO A 32 4.153 -9.209 -0.518 1.00 0.00 O ATOM 498 CB PRO A 32 6.336 -7.469 1.509 1.00 0.00 C ATOM 499 CG PRO A 32 6.396 -7.814 2.962 1.00 0.00 C ATOM 500 CD PRO A 32 5.053 -7.474 3.556 1.00 0.00 C ATOM 0 HA PRO A 32 4.579 -6.917 0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.967 -8.135 0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.691 -6.454 1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.620 -8.872 3.097 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.189 -7.254 3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.730 -8.231 4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.082 -6.523 4.089 1.00 0.00 H new ATOM 508 N LYS A 33 4.826 -9.966 1.423 1.00 0.00 N ATOM 509 CA LYS A 33 4.575 -11.376 1.061 1.00 0.00 C ATOM 510 C LYS A 33 3.192 -11.532 0.419 1.00 0.00 C ATOM 511 O LYS A 33 2.941 -12.471 -0.309 1.00 0.00 O ATOM 512 CB LYS A 33 4.638 -12.063 2.411 1.00 0.00 C ATOM 513 CG LYS A 33 3.751 -11.298 3.400 1.00 0.00 C ATOM 514 CD LYS A 33 2.846 -12.279 4.147 1.00 0.00 C ATOM 515 CE LYS A 33 1.399 -12.094 3.684 1.00 0.00 C ATOM 516 NZ LYS A 33 1.059 -13.359 2.975 1.00 0.00 N ATOM 0 H LYS A 33 5.194 -9.830 2.365 1.00 0.00 H new ATOM 0 HA LYS A 33 5.277 -11.782 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.301 -13.096 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.666 -12.092 2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.370 -10.748 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.146 -10.563 2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.170 -13.303 3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.919 -12.112 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.732 -11.923 4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.303 -11.233 3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.080 -13.310 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.706 -13.491 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.153 -14.161 3.631 1.00 0.00 H new ATOM 530 N ALA A 34 2.298 -10.615 0.679 1.00 0.00 N ATOM 531 CA ALA A 34 0.937 -10.707 0.075 1.00 0.00 C ATOM 532 C ALA A 34 1.033 -10.512 -1.441 1.00 0.00 C ATOM 533 O ALA A 34 0.483 -9.580 -1.994 1.00 0.00 O ATOM 534 CB ALA A 34 0.149 -9.565 0.706 1.00 0.00 C ATOM 0 H ALA A 34 2.451 -9.807 1.283 1.00 0.00 H new ATOM 0 HA ALA A 34 0.465 -11.674 0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.868 -9.563 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.119 -9.697 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.631 -8.616 0.470 1.00 0.00 H new ATOM 540 N THR A 35 1.742 -11.378 -2.105 1.00 0.00 N ATOM 541 CA THR A 35 1.903 -11.256 -3.586 1.00 0.00 C ATOM 542 C THR A 35 0.600 -10.789 -4.241 1.00 0.00 C ATOM 543 O THR A 35 -0.482 -11.087 -3.776 1.00 0.00 O ATOM 544 CB THR A 35 2.263 -12.664 -4.060 1.00 0.00 C ATOM 545 OG1 THR A 35 1.634 -13.621 -3.219 1.00 0.00 O ATOM 546 CG2 THR A 35 3.780 -12.852 -4.004 1.00 0.00 C ATOM 0 H THR A 35 2.223 -12.174 -1.685 1.00 0.00 H new ATOM 0 HA THR A 35 2.664 -10.522 -3.852 1.00 0.00 H new ATOM 0 HB THR A 35 1.920 -12.800 -5.086 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.863 -14.524 -3.523 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.035 -13.856 -4.342 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.262 -12.118 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.126 -12.716 -2.979 1.00 0.00 H new ATOM 554 N LYS A 36 0.699 -10.060 -5.321 1.00 0.00 N ATOM 555 CA LYS A 36 -0.531 -9.574 -6.011 1.00 0.00 C ATOM 556 C LYS A 36 -1.572 -10.693 -6.072 1.00 0.00 C ATOM 557 O LYS A 36 -2.732 -10.494 -5.770 1.00 0.00 O ATOM 558 CB LYS A 36 -0.071 -9.194 -7.419 1.00 0.00 C ATOM 559 CG LYS A 36 0.598 -7.819 -7.385 1.00 0.00 C ATOM 560 CD LYS A 36 0.338 -7.093 -8.708 1.00 0.00 C ATOM 561 CE LYS A 36 0.135 -5.601 -8.440 1.00 0.00 C ATOM 562 NZ LYS A 36 0.211 -4.958 -9.781 1.00 0.00 N ATOM 0 H LYS A 36 1.579 -9.780 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.993 -8.733 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.627 -9.940 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.923 -9.179 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.207 -7.233 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.670 -7.928 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.178 -7.240 -9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.543 -7.509 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.828 -5.412 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.902 -5.212 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.234 -3.924 -9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.074 -5.273 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.622 -5.227 -10.343 1.00 0.00 H new ATOM 576 N THR A 37 -1.163 -11.872 -6.454 1.00 0.00 N ATOM 577 CA THR A 37 -2.126 -13.005 -6.528 1.00 0.00 C ATOM 578 C THR A 37 -2.759 -13.244 -5.158 1.00 0.00 C ATOM 579 O THR A 37 -3.965 -13.279 -5.016 1.00 0.00 O ATOM 580 CB THR A 37 -1.293 -14.206 -6.940 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.216 -13.780 -7.765 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.168 -15.198 -7.703 1.00 0.00 C ATOM 0 H THR A 37 -0.204 -12.099 -6.718 1.00 0.00 H new ATOM 0 HA THR A 37 -2.938 -12.811 -7.229 1.00 0.00 H new ATOM 0 HB THR A 37 -0.892 -14.691 -6.050 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.321 -14.556 -8.028 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.569 -16.059 -7.998 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.987 -15.527 -7.064 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.573 -14.716 -8.593 1.00 0.00 H new ATOM 590 N GLU A 38 -1.953 -13.405 -4.147 1.00 0.00 N ATOM 591 CA GLU A 38 -2.508 -13.638 -2.785 1.00 0.00 C ATOM 592 C GLU A 38 -3.470 -12.507 -2.420 1.00 0.00 C ATOM 593 O GLU A 38 -4.530 -12.735 -1.872 1.00 0.00 O ATOM 594 CB GLU A 38 -1.294 -13.634 -1.854 1.00 0.00 C ATOM 595 CG GLU A 38 -0.664 -15.029 -1.831 1.00 0.00 C ATOM 596 CD GLU A 38 0.236 -15.163 -0.603 1.00 0.00 C ATOM 597 OE1 GLU A 38 0.909 -14.199 -0.277 1.00 0.00 O ATOM 598 OE2 GLU A 38 0.238 -16.227 -0.007 1.00 0.00 O ATOM 0 H GLU A 38 -0.935 -13.385 -4.204 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.066 -14.572 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.564 -12.899 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.595 -13.343 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.443 -15.791 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.084 -15.193 -2.739 1.00 0.00 H new ATOM 605 N ILE A 39 -3.119 -11.290 -2.732 1.00 0.00 N ATOM 606 CA ILE A 39 -4.029 -10.155 -2.415 1.00 0.00 C ATOM 607 C ILE A 39 -5.377 -10.398 -3.093 1.00 0.00 C ATOM 608 O ILE A 39 -6.420 -10.015 -2.599 1.00 0.00 O ATOM 609 CB ILE A 39 -3.335 -8.917 -2.994 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.244 -8.454 -2.025 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.347 -7.784 -3.192 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.439 -7.323 -2.666 1.00 0.00 C ATOM 0 H ILE A 39 -2.245 -11.033 -3.191 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.217 -10.038 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.897 -9.173 -3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.692 -8.112 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.586 -9.287 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.840 -6.911 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.127 -8.109 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.795 -7.524 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.662 -6.993 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.979 -7.681 -3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.102 -6.488 -2.892 1.00 0.00 H new ATOM 624 N LYS A 40 -5.360 -11.050 -4.220 1.00 0.00 N ATOM 625 CA LYS A 40 -6.630 -11.342 -4.939 1.00 0.00 C ATOM 626 C LYS A 40 -7.513 -12.251 -4.085 1.00 0.00 C ATOM 627 O LYS A 40 -8.703 -12.041 -3.952 1.00 0.00 O ATOM 628 CB LYS A 40 -6.192 -12.074 -6.206 1.00 0.00 C ATOM 629 CG LYS A 40 -7.379 -12.194 -7.161 1.00 0.00 C ATOM 630 CD LYS A 40 -6.920 -12.849 -8.466 1.00 0.00 C ATOM 631 CE LYS A 40 -8.054 -12.790 -9.493 1.00 0.00 C ATOM 632 NZ LYS A 40 -7.614 -11.776 -10.491 1.00 0.00 N ATOM 0 H LYS A 40 -4.516 -11.395 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.206 -10.443 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.377 -11.534 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.813 -13.064 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.170 -12.788 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.797 -11.208 -7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.038 -12.337 -8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.633 -13.885 -8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.214 -13.761 -9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.996 -12.502 -9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.430 -11.204 -10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.895 -11.158 -10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.209 -12.257 -11.319 1.00 0.00 H new ATOM 646 N ASN A 41 -6.931 -13.269 -3.520 1.00 0.00 N ATOM 647 CA ASN A 41 -7.716 -14.217 -2.681 1.00 0.00 C ATOM 648 C ASN A 41 -8.134 -13.575 -1.353 1.00 0.00 C ATOM 649 O ASN A 41 -9.188 -13.868 -0.826 1.00 0.00 O ATOM 650 CB ASN A 41 -6.771 -15.392 -2.428 1.00 0.00 C ATOM 651 CG ASN A 41 -6.739 -16.298 -3.661 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.231 -17.407 -3.627 1.00 0.00 O ATOM 653 ND2 ASN A 41 -6.175 -15.868 -4.757 1.00 0.00 N ATOM 0 H ASN A 41 -5.938 -13.488 -3.603 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.638 -14.520 -3.176 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.769 -15.025 -2.208 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.102 -15.957 -1.557 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.148 -16.464 -5.584 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.761 -14.936 -4.786 1.00 0.00 H new ATOM 660 N ALA A 42 -7.319 -12.720 -0.790 1.00 0.00 N ATOM 661 CA ALA A 42 -7.705 -12.107 0.515 1.00 0.00 C ATOM 662 C ALA A 42 -9.036 -11.357 0.386 1.00 0.00 C ATOM 663 O ALA A 42 -9.946 -11.570 1.162 1.00 0.00 O ATOM 664 CB ALA A 42 -6.567 -11.151 0.895 1.00 0.00 C ATOM 0 H ALA A 42 -6.419 -12.424 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.848 -12.866 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.797 -10.672 1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.636 -11.711 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.458 -10.390 0.122 1.00 0.00 H new ATOM 670 N VAL A 43 -9.173 -10.498 -0.585 1.00 0.00 N ATOM 671 CA VAL A 43 -10.471 -9.771 -0.734 1.00 0.00 C ATOM 672 C VAL A 43 -11.549 -10.741 -1.225 1.00 0.00 C ATOM 673 O VAL A 43 -12.702 -10.639 -0.856 1.00 0.00 O ATOM 674 CB VAL A 43 -10.237 -8.656 -1.760 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.513 -7.492 -1.083 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.397 -9.174 -2.929 1.00 0.00 C ATOM 0 H VAL A 43 -8.457 -10.268 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.808 -9.353 0.214 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.200 -8.319 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.344 -6.697 -1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.123 -7.112 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.555 -7.837 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.240 -8.370 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.433 -9.523 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.919 -9.999 -3.415 1.00 0.00 H new ATOM 686 N GLU A 44 -11.181 -11.689 -2.042 1.00 0.00 N ATOM 687 CA GLU A 44 -12.185 -12.672 -2.538 1.00 0.00 C ATOM 688 C GLU A 44 -12.704 -13.502 -1.361 1.00 0.00 C ATOM 689 O GLU A 44 -13.871 -13.826 -1.279 1.00 0.00 O ATOM 690 CB GLU A 44 -11.424 -13.555 -3.528 1.00 0.00 C ATOM 691 CG GLU A 44 -11.752 -13.122 -4.958 1.00 0.00 C ATOM 692 CD GLU A 44 -12.536 -14.231 -5.662 1.00 0.00 C ATOM 693 OE1 GLU A 44 -12.321 -15.385 -5.328 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.338 -13.908 -6.522 1.00 0.00 O ATOM 0 H GLU A 44 -10.231 -11.825 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.046 -12.196 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.351 -13.477 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.696 -14.600 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.336 -12.202 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.833 -12.909 -5.504 1.00 0.00 H new ATOM 701 N THR A 45 -11.837 -13.836 -0.444 1.00 0.00 N ATOM 702 CA THR A 45 -12.263 -14.632 0.740 1.00 0.00 C ATOM 703 C THR A 45 -12.946 -13.716 1.760 1.00 0.00 C ATOM 704 O THR A 45 -13.850 -14.117 2.466 1.00 0.00 O ATOM 705 CB THR A 45 -10.960 -15.225 1.288 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.864 -16.586 0.892 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.916 -15.137 2.819 1.00 0.00 C ATOM 0 H THR A 45 -10.847 -13.590 -0.465 1.00 0.00 H new ATOM 0 HA THR A 45 -12.985 -15.413 0.501 1.00 0.00 H new ATOM 0 HB THR A 45 -10.123 -14.654 0.886 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.031 -16.970 1.239 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.981 -15.565 3.181 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.980 -14.093 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.755 -15.691 3.240 1.00 0.00 H new ATOM 715 N ALA A 46 -12.508 -12.492 1.848 1.00 0.00 N ATOM 716 CA ALA A 46 -13.117 -11.553 2.829 1.00 0.00 C ATOM 717 C ALA A 46 -14.290 -10.797 2.199 1.00 0.00 C ATOM 718 O ALA A 46 -15.418 -10.906 2.637 1.00 0.00 O ATOM 719 CB ALA A 46 -11.994 -10.584 3.192 1.00 0.00 C ATOM 0 H ALA A 46 -11.754 -12.101 1.283 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.513 -12.074 3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.362 -9.855 3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.162 -11.138 3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.656 -10.066 2.294 1.00 0.00 H new ATOM 725 N PHE A 47 -14.031 -10.021 1.180 1.00 0.00 N ATOM 726 CA PHE A 47 -15.132 -9.250 0.533 1.00 0.00 C ATOM 727 C PHE A 47 -16.049 -10.188 -0.255 1.00 0.00 C ATOM 728 O PHE A 47 -17.190 -9.872 -0.530 1.00 0.00 O ATOM 729 CB PHE A 47 -14.427 -8.268 -0.403 1.00 0.00 C ATOM 730 CG PHE A 47 -13.721 -7.216 0.419 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.398 -6.571 1.460 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.389 -6.888 0.141 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.743 -5.597 2.224 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.734 -5.914 0.905 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.412 -5.269 1.947 1.00 0.00 C ATOM 0 H PHE A 47 -13.107 -9.888 0.769 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.762 -8.738 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.710 -8.797 -1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.151 -7.800 -1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.426 -6.824 1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.866 -7.386 -0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.266 -5.099 3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.706 -5.660 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.907 -4.518 2.537 1.00 0.00 H new ATOM 745 N LYS A 48 -15.562 -11.342 -0.617 1.00 0.00 N ATOM 746 CA LYS A 48 -16.404 -12.306 -1.384 1.00 0.00 C ATOM 747 C LYS A 48 -16.839 -11.689 -2.711 1.00 0.00 C ATOM 748 O LYS A 48 -17.992 -11.748 -3.090 1.00 0.00 O ATOM 749 CB LYS A 48 -17.615 -12.576 -0.490 1.00 0.00 C ATOM 750 CG LYS A 48 -17.519 -13.990 0.087 1.00 0.00 C ATOM 751 CD LYS A 48 -18.692 -14.233 1.040 1.00 0.00 C ATOM 752 CE LYS A 48 -18.552 -15.617 1.678 1.00 0.00 C ATOM 753 NZ LYS A 48 -18.820 -15.399 3.128 1.00 0.00 N ATOM 0 H LYS A 48 -14.615 -11.661 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.866 -13.223 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.655 -11.844 0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.535 -12.468 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.533 -14.725 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.574 -14.115 0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.712 -13.465 1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.635 -14.164 0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.261 -16.324 1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.555 -16.027 1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.743 -16.304 3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.126 -14.726 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.779 -15.015 3.250 1.00 0.00 H new ATOM 767 N VAL A 49 -15.922 -11.097 -3.417 1.00 0.00 N ATOM 768 CA VAL A 49 -16.265 -10.472 -4.718 1.00 0.00 C ATOM 769 C VAL A 49 -15.399 -11.066 -5.834 1.00 0.00 C ATOM 770 O VAL A 49 -14.794 -12.108 -5.680 1.00 0.00 O ATOM 771 CB VAL A 49 -15.983 -8.976 -4.505 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.648 -8.557 -5.139 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.116 -8.171 -5.123 1.00 0.00 C ATOM 0 H VAL A 49 -14.942 -11.019 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.298 -10.645 -5.021 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.917 -8.785 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.482 -7.493 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.836 -9.128 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.677 -8.752 -6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.928 -7.107 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.176 -8.387 -6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.057 -8.441 -4.644 1.00 0.00 H new ATOM 783 N LYS A 50 -15.328 -10.399 -6.949 1.00 0.00 N ATOM 784 CA LYS A 50 -14.492 -10.912 -8.071 1.00 0.00 C ATOM 785 C LYS A 50 -13.382 -9.912 -8.390 1.00 0.00 C ATOM 786 O LYS A 50 -13.630 -8.828 -8.880 1.00 0.00 O ATOM 787 CB LYS A 50 -15.442 -11.055 -9.260 1.00 0.00 C ATOM 788 CG LYS A 50 -14.977 -12.217 -10.138 1.00 0.00 C ATOM 789 CD LYS A 50 -13.929 -11.717 -11.135 1.00 0.00 C ATOM 790 CE LYS A 50 -13.956 -12.595 -12.387 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.010 -13.709 -12.097 1.00 0.00 N ATOM 0 H LYS A 50 -15.812 -9.520 -7.134 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.014 -11.861 -7.826 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.459 -11.233 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.461 -10.131 -9.839 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.556 -13.009 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -15.826 -12.646 -10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.131 -10.679 -11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.938 -11.743 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.960 -12.971 -12.584 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.647 -12.034 -13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.974 -14.355 -12.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.061 -13.322 -11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.333 -14.229 -11.257 1.00 0.00 H new ATOM 805 N VAL A 51 -12.158 -10.265 -8.115 1.00 0.00 N ATOM 806 CA VAL A 51 -11.035 -9.330 -8.402 1.00 0.00 C ATOM 807 C VAL A 51 -10.691 -9.364 -9.891 1.00 0.00 C ATOM 808 O VAL A 51 -10.324 -10.389 -10.431 1.00 0.00 O ATOM 809 CB VAL A 51 -9.865 -9.853 -7.570 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.591 -9.096 -7.949 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.162 -9.642 -6.085 1.00 0.00 C ATOM 0 H VAL A 51 -11.887 -11.159 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.281 -8.297 -8.155 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.726 -10.916 -7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.756 -9.469 -7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.380 -9.247 -9.008 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.728 -8.032 -7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.328 -10.015 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.301 -8.579 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.070 -10.182 -5.815 1.00 0.00 H new ATOM 821 N VAL A 52 -10.805 -8.250 -10.560 1.00 0.00 N ATOM 822 CA VAL A 52 -10.481 -8.219 -12.014 1.00 0.00 C ATOM 823 C VAL A 52 -9.167 -7.469 -12.241 1.00 0.00 C ATOM 824 O VAL A 52 -8.775 -7.209 -13.361 1.00 0.00 O ATOM 825 CB VAL A 52 -11.650 -7.480 -12.666 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.729 -6.054 -12.128 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.438 -7.426 -14.172 1.00 0.00 C ATOM 0 H VAL A 52 -11.108 -7.361 -10.163 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.352 -9.217 -12.434 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.575 -8.008 -12.437 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.564 -5.534 -12.597 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.878 -6.080 -11.049 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.801 -5.528 -12.354 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.271 -6.899 -14.638 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.509 -6.900 -14.390 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.383 -8.440 -14.568 1.00 0.00 H new ATOM 837 N LYS A 53 -8.482 -7.126 -11.184 1.00 0.00 N ATOM 838 CA LYS A 53 -7.189 -6.398 -11.329 1.00 0.00 C ATOM 839 C LYS A 53 -6.722 -5.881 -9.967 1.00 0.00 C ATOM 840 O LYS A 53 -7.380 -5.076 -9.338 1.00 0.00 O ATOM 841 CB LYS A 53 -7.486 -5.228 -12.268 1.00 0.00 C ATOM 842 CG LYS A 53 -6.810 -5.474 -13.619 1.00 0.00 C ATOM 843 CD LYS A 53 -6.172 -4.175 -14.114 1.00 0.00 C ATOM 844 CE LYS A 53 -4.976 -4.504 -15.011 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.529 -4.532 -16.394 1.00 0.00 N ATOM 0 H LYS A 53 -8.763 -7.319 -10.223 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.399 -7.040 -11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.562 -5.120 -12.402 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.124 -4.297 -11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.051 -6.250 -13.522 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.541 -5.832 -14.344 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.904 -3.585 -14.667 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.849 -3.570 -13.267 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.192 -3.753 -14.914 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.534 -5.463 -14.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.768 -4.752 -17.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.269 -5.260 -16.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.937 -3.603 -16.624 1.00 0.00 H new ATOM 859 N VAL A 54 -5.590 -6.337 -9.507 1.00 0.00 N ATOM 860 CA VAL A 54 -5.081 -5.869 -8.185 1.00 0.00 C ATOM 861 C VAL A 54 -3.729 -5.170 -8.363 1.00 0.00 C ATOM 862 O VAL A 54 -2.757 -5.773 -8.771 1.00 0.00 O ATOM 863 CB VAL A 54 -4.953 -7.146 -7.330 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.614 -7.177 -6.580 1.00 0.00 C ATOM 865 CG2 VAL A 54 -6.085 -7.179 -6.303 1.00 0.00 C ATOM 0 H VAL A 54 -4.995 -7.012 -9.988 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.742 -5.143 -7.711 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.007 -8.008 -7.995 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.551 -8.088 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.794 -7.155 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.545 -6.310 -5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.999 -8.080 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.019 -6.301 -5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.045 -7.180 -6.819 1.00 0.00 H new ATOM 875 N ASN A 55 -3.658 -3.909 -8.044 1.00 0.00 N ATOM 876 CA ASN A 55 -2.365 -3.189 -8.178 1.00 0.00 C ATOM 877 C ASN A 55 -1.891 -2.732 -6.802 1.00 0.00 C ATOM 878 O ASN A 55 -2.525 -1.929 -6.150 1.00 0.00 O ATOM 879 CB ASN A 55 -2.660 -1.990 -9.081 1.00 0.00 C ATOM 880 CG ASN A 55 -2.375 -2.363 -10.536 1.00 0.00 C ATOM 881 OD1 ASN A 55 -2.926 -3.318 -11.050 1.00 0.00 O ATOM 882 ND2 ASN A 55 -1.533 -1.647 -11.229 1.00 0.00 N ATOM 0 H ASN A 55 -4.437 -3.348 -7.698 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.578 -3.815 -8.598 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.701 -1.685 -8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.046 -1.139 -8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.337 -1.888 -12.201 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.070 -0.846 -10.799 1.00 0.00 H new ATOM 889 N THR A 56 -0.782 -3.241 -6.355 1.00 0.00 N ATOM 890 CA THR A 56 -0.273 -2.840 -5.015 1.00 0.00 C ATOM 891 C THR A 56 1.050 -2.087 -5.167 1.00 0.00 C ATOM 892 O THR A 56 1.885 -2.433 -5.979 1.00 0.00 O ATOM 893 CB THR A 56 -0.081 -4.142 -4.204 1.00 0.00 C ATOM 894 OG1 THR A 56 1.255 -4.203 -3.726 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.368 -5.384 -5.056 1.00 0.00 C ATOM 0 H THR A 56 -0.205 -3.916 -6.857 1.00 0.00 H new ATOM 0 HA THR A 56 -0.969 -2.174 -4.504 1.00 0.00 H new ATOM 0 HB THR A 56 -0.785 -4.130 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.740 -4.911 -4.200 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.223 -6.280 -4.453 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.397 -5.350 -5.414 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.312 -5.406 -5.908 1.00 0.00 H new ATOM 903 N LEU A 57 1.239 -1.049 -4.399 1.00 0.00 N ATOM 904 CA LEU A 57 2.499 -0.260 -4.507 1.00 0.00 C ATOM 905 C LEU A 57 3.186 -0.152 -3.145 1.00 0.00 C ATOM 906 O LEU A 57 2.610 -0.457 -2.120 1.00 0.00 O ATOM 907 CB LEU A 57 2.052 1.123 -4.988 1.00 0.00 C ATOM 908 CG LEU A 57 1.388 1.878 -3.834 1.00 0.00 C ATOM 909 CD1 LEU A 57 2.346 2.945 -3.301 1.00 0.00 C ATOM 910 CD2 LEU A 57 0.108 2.550 -4.337 1.00 0.00 C ATOM 0 H LEU A 57 0.575 -0.713 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 57 3.217 -0.724 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.909 1.685 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.354 1.022 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 57 1.144 1.178 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.872 3.482 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.259 2.469 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.590 3.646 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.367 3.088 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.354 3.249 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.576 1.791 -4.717 1.00 0.00 H new ATOM 922 N HIS A 58 4.412 0.296 -3.128 1.00 0.00 N ATOM 923 CA HIS A 58 5.132 0.440 -1.832 1.00 0.00 C ATOM 924 C HIS A 58 4.565 1.635 -1.064 1.00 0.00 C ATOM 925 O HIS A 58 4.456 2.726 -1.587 1.00 0.00 O ATOM 926 CB HIS A 58 6.592 0.686 -2.214 1.00 0.00 C ATOM 927 CG HIS A 58 7.432 0.758 -0.969 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.732 1.239 -0.983 1.00 0.00 N ATOM 929 CD2 HIS A 58 7.172 0.414 0.334 1.00 0.00 C ATOM 930 CE1 HIS A 58 9.201 1.171 0.276 1.00 0.00 C ATOM 931 NE2 HIS A 58 8.291 0.675 1.120 1.00 0.00 N ATOM 0 H HIS A 58 4.945 0.568 -3.954 1.00 0.00 H new ATOM 0 HA HIS A 58 5.028 -0.436 -1.192 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.950 -0.115 -2.861 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.680 1.614 -2.779 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.241 0.003 0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.193 1.480 0.569 1.00 0.00 H new ATOM 0 HE2 HIS A 58 8.394 0.521 2.123 1.00 0.00 H new ATOM 939 N VAL A 59 4.194 1.438 0.170 1.00 0.00 N ATOM 940 CA VAL A 59 3.624 2.569 0.964 1.00 0.00 C ATOM 941 C VAL A 59 4.594 2.975 2.077 1.00 0.00 C ATOM 942 O VAL A 59 5.198 2.143 2.725 1.00 0.00 O ATOM 943 CB VAL A 59 2.295 2.071 1.567 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.141 2.871 0.974 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.065 0.584 1.268 1.00 0.00 C ATOM 0 H VAL A 59 4.259 0.548 0.664 1.00 0.00 H new ATOM 0 HA VAL A 59 3.460 3.443 0.334 1.00 0.00 H new ATOM 0 HB VAL A 59 2.345 2.206 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.200 2.521 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.273 3.928 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.123 2.737 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.119 0.266 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.033 0.430 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.879 -0.003 1.694 1.00 0.00 H new ATOM 1245 N ARG A 76 5.652 -1.320 4.518 1.00 0.00 N ATOM 1246 CA ARG A 76 4.231 -1.699 4.280 1.00 0.00 C ATOM 1247 C ARG A 76 3.940 -1.754 2.777 1.00 0.00 C ATOM 1248 O ARG A 76 4.571 -1.077 1.990 1.00 0.00 O ATOM 1249 CB ARG A 76 3.399 -0.599 4.956 1.00 0.00 C ATOM 1250 CG ARG A 76 3.254 0.607 4.022 1.00 0.00 C ATOM 1251 CD ARG A 76 3.502 1.896 4.807 1.00 0.00 C ATOM 1252 NE ARG A 76 2.435 1.925 5.846 1.00 0.00 N ATOM 1253 CZ ARG A 76 2.341 2.944 6.655 1.00 0.00 C ATOM 1254 NH1 ARG A 76 3.378 3.324 7.351 1.00 0.00 N ATOM 1255 NH2 ARG A 76 1.210 3.586 6.769 1.00 0.00 N ATOM 0 HA ARG A 76 3.997 -2.685 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.414 -0.987 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.877 -0.292 5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.963 0.529 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.256 0.622 3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.494 1.898 5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.446 2.770 4.159 1.00 0.00 H new ATOM 0 HE ARG A 76 1.778 1.149 5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.263 2.824 7.262 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.304 4.121 7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.399 3.291 6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.137 4.383 7.402 1.00 0.00 H new ATOM 1269 N LYS A 77 2.980 -2.538 2.378 1.00 0.00 N ATOM 1270 CA LYS A 77 2.637 -2.615 0.930 1.00 0.00 C ATOM 1271 C LYS A 77 1.155 -2.266 0.738 1.00 0.00 C ATOM 1272 O LYS A 77 0.303 -2.723 1.471 1.00 0.00 O ATOM 1273 CB LYS A 77 2.925 -4.064 0.522 1.00 0.00 C ATOM 1274 CG LYS A 77 2.228 -4.372 -0.804 1.00 0.00 C ATOM 1275 CD LYS A 77 2.615 -5.777 -1.269 1.00 0.00 C ATOM 1276 CE LYS A 77 1.380 -6.494 -1.821 1.00 0.00 C ATOM 1277 NZ LYS A 77 1.920 -7.651 -2.587 1.00 0.00 N ATOM 0 H LYS A 77 2.418 -3.129 2.990 1.00 0.00 H new ATOM 0 HA LYS A 77 3.211 -1.916 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.000 -4.218 0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.574 -4.747 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.147 -4.302 -0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.513 -3.637 -1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.387 -5.717 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.035 -6.343 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.723 -6.825 -1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.794 -5.835 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.196 -8.395 -2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.181 -7.342 -3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.761 -8.026 -2.103 1.00 0.00 H new ATOM 1291 N LYS A 78 0.842 -1.450 -0.234 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.584 -1.065 -0.460 1.00 0.00 C ATOM 1293 C LYS A 78 -1.162 -1.867 -1.629 1.00 0.00 C ATOM 1294 O LYS A 78 -0.444 -2.257 -2.522 1.00 0.00 O ATOM 1295 CB LYS A 78 -0.540 0.427 -0.797 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.963 0.989 -0.819 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.030 2.242 0.056 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.362 3.411 -0.672 1.00 0.00 C ATOM 1299 NZ LYS A 78 -2.391 3.905 -1.630 1.00 0.00 N ATOM 0 H LYS A 78 1.511 -1.033 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.214 -1.266 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.061 0.959 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.063 0.578 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.254 1.230 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.667 0.240 -0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.068 2.486 0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.531 2.060 1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.065 4.193 0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.460 3.089 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.039 4.760 -2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.588 3.169 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.265 4.131 -1.114 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.448 -2.132 -1.628 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.034 -2.930 -2.751 1.00 0.00 C ATOM 1315 C ALA A 79 -4.302 -2.304 -3.315 1.00 0.00 C ATOM 1316 O ALA A 79 -5.225 -1.989 -2.596 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.395 -4.274 -2.146 1.00 0.00 C ATOM 0 H ALA A 79 -3.108 -1.835 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.318 -2.992 -3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.831 -4.913 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.497 -4.747 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.116 -4.129 -1.342 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.367 -2.176 -4.609 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.588 -1.622 -5.249 1.00 0.00 C ATOM 1325 C ILE A 80 -6.271 -2.733 -6.042 1.00 0.00 C ATOM 1326 O ILE A 80 -5.750 -3.217 -7.026 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.100 -0.512 -6.174 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.763 0.726 -5.346 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.204 -0.164 -7.171 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.729 0.374 -4.279 1.00 0.00 C ATOM 0 H ILE A 80 -3.621 -2.434 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.308 -1.235 -4.528 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.212 -0.848 -6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.376 1.513 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.666 1.116 -4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.859 0.629 -7.834 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.454 -1.046 -7.760 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.089 0.174 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.494 1.262 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.132 -0.398 -3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.822 0.006 -4.759 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.419 -3.158 -5.608 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.119 -4.263 -6.326 1.00 0.00 C ATOM 1344 C VAL A 81 -9.349 -3.746 -7.070 1.00 0.00 C ATOM 1345 O VAL A 81 -10.185 -3.065 -6.511 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.538 -5.240 -5.227 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.075 -6.523 -5.860 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.328 -5.571 -4.352 1.00 0.00 C ATOM 0 H VAL A 81 -7.906 -2.792 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.477 -4.726 -7.076 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.317 -4.785 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.373 -7.219 -5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.938 -6.288 -6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.298 -6.979 -6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.625 -6.267 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.549 -6.025 -4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.946 -4.656 -3.899 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.479 -4.087 -8.323 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.664 -3.639 -9.091 1.00 0.00 C ATOM 1360 C GLN A 82 -11.595 -4.819 -9.280 1.00 0.00 C ATOM 1361 O GLN A 82 -11.155 -5.946 -9.395 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.119 -3.182 -10.441 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.264 -2.983 -11.436 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.505 -1.488 -11.649 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -10.631 -0.679 -11.410 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -12.663 -1.084 -12.092 1.00 0.00 N ATOM 0 H GLN A 82 -8.813 -4.657 -8.844 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.216 -2.843 -8.591 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.566 -2.250 -10.321 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.417 -3.922 -10.827 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.022 -3.461 -12.385 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.171 -3.458 -11.062 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.397 -1.763 -12.293 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.834 -0.089 -12.238 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.868 -4.590 -9.332 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.776 -5.734 -9.542 1.00 0.00 C ATOM 1377 C VAL A 83 -14.479 -5.591 -10.883 1.00 0.00 C ATOM 1378 O VAL A 83 -14.611 -4.510 -11.422 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.786 -5.738 -8.392 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.110 -5.287 -7.098 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.950 -4.802 -8.720 1.00 0.00 C ATOM 0 H VAL A 83 -13.313 -3.677 -9.240 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.226 -6.675 -9.555 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.166 -6.751 -8.260 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.837 -5.293 -6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.293 -5.967 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.717 -4.278 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.665 -4.809 -7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.573 -3.789 -8.864 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.442 -5.139 -9.632 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.930 -6.674 -11.421 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.628 -6.612 -12.727 1.00 0.00 C ATOM 1393 C ALA A 84 -16.976 -5.911 -12.567 1.00 0.00 C ATOM 1394 O ALA A 84 -17.356 -5.522 -11.481 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.822 -8.064 -13.126 1.00 0.00 C ATOM 0 H ALA A 84 -14.847 -7.606 -11.015 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.069 -6.053 -13.477 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.334 -8.112 -14.087 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.851 -8.552 -13.208 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.421 -8.572 -12.370 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.651 -5.777 -13.668 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.976 -5.119 -13.680 1.00 0.00 C ATOM 1403 C PRO A 85 -20.038 -6.039 -13.075 1.00 0.00 C ATOM 1404 O PRO A 85 -20.053 -7.230 -13.315 1.00 0.00 O ATOM 1405 CB PRO A 85 -19.242 -4.883 -15.162 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.425 -5.904 -15.874 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.242 -6.228 -14.996 1.00 0.00 C ATOM 0 HA PRO A 85 -19.004 -4.200 -13.094 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -20.301 -4.995 -15.394 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.955 -3.874 -15.457 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -19.015 -6.800 -16.069 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -18.093 -5.524 -16.840 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.020 -7.295 -15.004 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.342 -5.713 -15.333 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.927 -5.493 -12.294 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.992 -6.333 -11.674 1.00 0.00 C ATOM 1417 C GLY A 86 -21.765 -6.436 -10.163 1.00 0.00 C ATOM 1418 O GLY A 86 -22.695 -6.395 -9.384 1.00 0.00 O ATOM 0 H GLY A 86 -20.963 -4.501 -12.057 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.972 -5.899 -11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.987 -7.328 -12.119 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.537 -6.577 -9.741 1.00 0.00 N ATOM 1423 CA GLN A 87 -20.263 -6.689 -8.278 1.00 0.00 C ATOM 1424 C GLN A 87 -19.873 -5.330 -7.695 1.00 0.00 C ATOM 1425 O GLN A 87 -19.821 -4.334 -8.391 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.093 -7.666 -8.164 1.00 0.00 C ATOM 1427 CG GLN A 87 -17.947 -7.192 -9.056 1.00 0.00 C ATOM 1428 CD GLN A 87 -17.715 -8.207 -10.174 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -16.589 -8.527 -10.493 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.740 -8.734 -10.786 1.00 0.00 N ATOM 0 H GLN A 87 -19.714 -6.619 -10.343 1.00 0.00 H new ATOM 0 HA GLN A 87 -21.141 -7.029 -7.728 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.759 -7.731 -7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.410 -8.666 -8.461 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.183 -6.216 -9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -17.039 -7.072 -8.466 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -19.687 -8.466 -10.518 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.594 -9.414 -11.532 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.596 -5.286 -6.422 1.00 0.00 N ATOM 1440 CA LYS A 88 -19.206 -3.996 -5.785 1.00 0.00 C ATOM 1441 C LYS A 88 -18.947 -4.200 -4.288 1.00 0.00 C ATOM 1442 O LYS A 88 -19.843 -4.093 -3.475 1.00 0.00 O ATOM 1443 CB LYS A 88 -20.404 -3.071 -6.000 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.694 -3.816 -5.647 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.859 -2.826 -5.596 1.00 0.00 C ATOM 1446 CE LYS A 88 -22.876 -2.125 -4.236 1.00 0.00 C ATOM 1447 NZ LYS A 88 -24.319 -2.006 -3.884 1.00 0.00 N ATOM 0 H LYS A 88 -19.623 -6.089 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 88 -18.291 -3.585 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -20.305 -2.180 -5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -20.437 -2.736 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.893 -4.590 -6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.586 -4.316 -4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -22.760 -2.091 -6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -23.801 -3.349 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -22.333 -2.702 -3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -22.401 -1.146 -4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -24.414 -1.534 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.809 -1.446 -4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.743 -2.954 -3.833 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.729 -4.492 -3.915 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.426 -4.699 -2.467 1.00 0.00 C ATOM 1463 C ILE A 89 -18.062 -3.579 -1.638 1.00 0.00 C ATOM 1464 O ILE A 89 -17.522 -2.497 -1.514 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.900 -4.657 -2.367 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -15.313 -5.894 -3.056 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.485 -4.648 -0.895 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.814 -5.988 -2.757 1.00 0.00 C ATOM 0 H ILE A 89 -16.934 -4.596 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.824 -5.640 -2.087 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.527 -3.756 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.821 -6.793 -2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.476 -5.835 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.398 -4.618 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.905 -3.770 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.856 -5.549 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.400 -6.868 -3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.312 -5.095 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.662 -6.068 -1.681 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.213 -3.833 -1.077 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.905 -2.792 -0.262 1.00 0.00 C ATOM 1482 C GLU A 90 -19.024 -2.326 0.902 1.00 0.00 C ATOM 1483 O GLU A 90 -19.304 -1.331 1.540 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.165 -3.480 0.264 1.00 0.00 C ATOM 1485 CG GLU A 90 -22.269 -3.398 -0.791 1.00 0.00 C ATOM 1486 CD GLU A 90 -23.420 -2.541 -0.262 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.303 -1.327 -0.319 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -24.398 -3.111 0.191 1.00 0.00 O ATOM 0 H GLU A 90 -19.707 -4.722 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 90 -20.131 -1.902 -0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.951 -4.522 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.494 -3.004 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -21.875 -2.968 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -22.628 -4.398 -1.035 1.00 0.00 H new ATOM 1495 N ALA A 91 -17.973 -3.040 1.196 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.095 -2.634 2.333 1.00 0.00 C ATOM 1497 C ALA A 91 -16.614 -1.188 2.161 1.00 0.00 C ATOM 1498 O ALA A 91 -16.494 -0.450 3.119 1.00 0.00 O ATOM 1499 CB ALA A 91 -15.914 -3.602 2.284 1.00 0.00 C ATOM 0 H ALA A 91 -17.684 -3.884 0.701 1.00 0.00 H new ATOM 0 HA ALA A 91 -17.620 -2.673 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.219 -3.370 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -16.276 -4.624 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.403 -3.504 1.326 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.341 -0.771 0.954 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.871 0.634 0.743 1.00 0.00 C ATOM 1507 C LEU A 92 -16.985 1.466 0.109 1.00 0.00 C ATOM 1508 O LEU A 92 -17.004 2.676 0.207 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.673 0.561 -0.217 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.024 -0.823 -0.167 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.726 -0.806 -0.976 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.715 -1.187 1.286 1.00 0.00 C ATOM 0 H LEU A 92 -16.421 -1.336 0.109 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.594 1.099 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.001 0.778 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.940 1.322 0.050 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.706 -1.561 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.263 -1.792 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.946 -0.545 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.043 -0.069 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.252 -2.173 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.032 -0.450 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.640 -1.198 1.863 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.907 0.826 -0.552 1.00 0.00 N ATOM 1525 CA GLU A 93 -19.009 1.583 -1.204 1.00 0.00 C ATOM 1526 C GLU A 93 -19.720 2.475 -0.184 1.00 0.00 C ATOM 1527 O GLU A 93 -20.084 3.597 -0.472 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.963 0.516 -1.741 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.233 -0.354 -2.766 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.196 0.368 -4.114 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -18.930 1.558 -4.119 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -19.433 -0.282 -5.118 1.00 0.00 O ATOM 0 H GLU A 93 -17.945 -0.187 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.644 2.238 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.333 -0.101 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.831 0.988 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.219 -0.563 -2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.738 -1.314 -2.869 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.926 1.982 1.007 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.619 2.802 2.043 1.00 0.00 C ATOM 1541 C GLY A 94 -19.588 3.593 2.851 1.00 0.00 C ATOM 1542 O GLY A 94 -19.934 4.421 3.670 1.00 0.00 O ATOM 0 H GLY A 94 -19.645 1.049 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.324 3.484 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -21.196 2.157 2.705 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.327 3.348 2.629 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.281 4.091 3.390 1.00 0.00 C ATOM 1548 C LEU A 95 -17.353 5.585 3.063 1.00 0.00 C ATOM 1549 O LEU A 95 -17.009 6.425 3.870 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.952 3.501 2.918 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.282 2.764 4.079 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.227 1.688 4.614 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.990 2.107 3.587 1.00 0.00 C ATOM 0 H LEU A 95 -17.975 2.668 1.956 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.407 3.995 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -16.120 2.816 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.300 4.293 2.551 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.051 3.473 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.749 1.163 5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.148 2.154 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.458 0.979 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.511 1.581 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.222 1.398 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.315 2.873 3.205 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.799 5.924 1.884 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.894 7.363 1.507 1.00 0.00 C ATOM 1567 C ILE A 96 -18.472 8.176 2.669 1.00 0.00 C ATOM 1568 O ILE A 96 -19.560 7.848 3.112 1.00 0.00 O ATOM 1569 CB ILE A 96 -18.839 7.397 0.306 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -18.140 6.785 -0.910 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -19.223 8.845 -0.003 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.050 7.738 -1.406 1.00 0.00 C ATOM 1573 OXT ILE A 96 -17.816 9.113 3.094 1.00 0.00 O ATOM 0 H ILE A 96 -18.102 5.266 1.165 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.921 7.794 1.271 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.738 6.825 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -17.703 5.822 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.864 6.599 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.897 8.868 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -19.721 9.282 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -18.325 9.419 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -16.552 7.302 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.500 8.690 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -16.321 7.901 -0.612 1.00 0.00 H new