USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 651 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 8 GLN : amide:sc=-0.00304 X(o=-0.003,f=-0.22) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 24:sc= 1.12 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0333 USER MOD Single : A 27 THR OG1 : rot 15:sc= 1.21 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.203 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -35:sc= 0.815 USER MOD Single : A 40 THR OG1 : rot -140:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 16:sc= 1.24 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.038 USER MOD Single : A 73 TYR OH : rot 130:sc= 0 USER MOD Single : A 76 SER OG : rot -43:sc= 0.65 USER MOD Single : A 79 THR OG1 : rot 140:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 86 SER OG : rot -101:sc= -0.274 USER MOD Single : A 89 THR OG1 : rot -34:sc= 0.847 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 7:sc= 1.2 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.12 F(o=-1.6,f=-0.12) USER MOD Single : A 94 GLN : amide:sc= 0.00175 X(o=0.0018,f=-0.07) USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00947 USER MOD ----------------------------------------------------------------- ATOM 77 N VAL A 6 -14.945 6.943 2.398 1.00 0.00 N ATOM 78 CA VAL A 6 -13.690 7.584 2.067 1.00 0.00 C ATOM 79 C VAL A 6 -13.321 7.069 0.668 1.00 0.00 C ATOM 80 O VAL A 6 -13.408 5.856 0.433 1.00 0.00 O ATOM 81 CB VAL A 6 -12.674 7.234 3.177 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.276 7.798 2.909 1.00 0.00 C ATOM 83 CG2 VAL A 6 -13.148 7.773 4.541 1.00 0.00 C ATOM 0 HA VAL A 6 -13.724 8.673 2.028 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.614 6.146 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.608 7.518 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.894 7.393 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.329 8.885 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.418 7.515 5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.251 8.857 4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.111 7.329 4.793 1.00 0.00 H new ATOM 93 N PRO A 7 -12.914 7.937 -0.272 1.00 0.00 N ATOM 94 CA PRO A 7 -12.444 7.516 -1.577 1.00 0.00 C ATOM 95 C PRO A 7 -11.041 6.961 -1.359 1.00 0.00 C ATOM 96 O PRO A 7 -10.174 7.696 -0.883 1.00 0.00 O ATOM 97 CB PRO A 7 -12.474 8.768 -2.456 1.00 0.00 C ATOM 98 CG PRO A 7 -12.296 9.921 -1.468 1.00 0.00 C ATOM 99 CD PRO A 7 -12.835 9.380 -0.141 1.00 0.00 C ATOM 0 HA PRO A 7 -13.041 6.744 -2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.676 8.753 -3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.415 8.851 -3.000 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.249 10.211 -1.382 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.846 10.806 -1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.178 9.657 0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.816 9.802 0.077 1.00 0.00 H new ATOM 107 N GLN A 8 -10.837 5.673 -1.625 1.00 0.00 N ATOM 108 CA GLN A 8 -9.556 4.993 -1.449 1.00 0.00 C ATOM 109 C GLN A 8 -8.555 5.390 -2.530 1.00 0.00 C ATOM 110 O GLN A 8 -8.909 6.113 -3.469 1.00 0.00 O ATOM 111 CB GLN A 8 -9.811 3.474 -1.387 1.00 0.00 C ATOM 112 CG GLN A 8 -10.140 2.846 -2.748 1.00 0.00 C ATOM 113 CD GLN A 8 -11.066 1.640 -2.604 1.00 0.00 C ATOM 114 OE1 GLN A 8 -12.151 1.734 -2.029 1.00 0.00 O ATOM 115 NE2 GLN A 8 -10.675 0.487 -3.112 1.00 0.00 N ATOM 0 H GLN A 8 -11.573 5.060 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.096 5.302 -0.510 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.929 2.983 -0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.634 3.281 -0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.611 3.592 -3.389 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.217 2.540 -3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.775 0.418 -3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.273 -0.335 -3.030 1.00 0.00 H new ATOM 124 N LEU A 9 -7.330 4.859 -2.427 1.00 0.00 N ATOM 125 CA LEU A 9 -6.389 4.810 -3.534 1.00 0.00 C ATOM 126 C LEU A 9 -6.899 3.821 -4.572 1.00 0.00 C ATOM 127 O LEU A 9 -6.411 2.699 -4.694 1.00 0.00 O ATOM 128 CB LEU A 9 -4.973 4.440 -3.085 1.00 0.00 C ATOM 129 CG LEU A 9 -4.305 5.482 -2.179 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.934 4.920 -1.794 1.00 0.00 C ATOM 131 CD2 LEU A 9 -4.207 6.853 -2.863 1.00 0.00 C ATOM 0 H LEU A 9 -6.970 4.451 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.322 5.808 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.009 3.487 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.352 4.292 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.902 5.657 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.419 5.630 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.063 3.975 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.343 4.755 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.728 7.563 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.616 6.763 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.207 7.208 -3.112 1.00 0.00 H new ATOM 143 N THR A 10 -7.885 4.265 -5.332 1.00 0.00 N ATOM 144 CA THR A 10 -8.392 3.567 -6.507 1.00 0.00 C ATOM 145 C THR A 10 -7.251 3.416 -7.534 1.00 0.00 C ATOM 146 O THR A 10 -7.204 2.448 -8.297 1.00 0.00 O ATOM 147 CB THR A 10 -9.591 4.392 -7.002 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.561 4.457 -5.973 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.265 3.833 -8.247 1.00 0.00 C ATOM 0 H THR A 10 -8.369 5.143 -5.147 1.00 0.00 H new ATOM 0 HA THR A 10 -8.732 2.551 -6.306 1.00 0.00 H new ATOM 0 HB THR A 10 -9.193 5.372 -7.266 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.329 4.983 -6.280 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.100 4.475 -8.528 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.545 3.795 -9.065 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.633 2.828 -8.041 1.00 0.00 H new ATOM 157 N ASP A 11 -6.284 4.337 -7.518 1.00 0.00 N ATOM 158 CA ASP A 11 -5.108 4.347 -8.382 1.00 0.00 C ATOM 159 C ASP A 11 -3.946 3.476 -7.880 1.00 0.00 C ATOM 160 O ASP A 11 -2.865 3.501 -8.461 1.00 0.00 O ATOM 161 CB ASP A 11 -4.661 5.803 -8.500 1.00 0.00 C ATOM 162 CG ASP A 11 -3.607 6.013 -9.578 1.00 0.00 C ATOM 163 OD2 ASP A 11 -2.660 6.792 -9.323 1.00 0.00 O ATOM 0 H ASP A 11 -6.303 5.128 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.385 3.914 -9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.527 6.427 -8.719 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.264 6.135 -7.541 1.00 0.00 H new ATOM 168 N LEU A 12 -4.121 2.741 -6.779 1.00 0.00 N ATOM 169 CA LEU A 12 -3.049 1.943 -6.185 1.00 0.00 C ATOM 170 C LEU A 12 -2.602 0.851 -7.150 1.00 0.00 C ATOM 171 O LEU A 12 -3.394 -0.036 -7.474 1.00 0.00 O ATOM 172 CB LEU A 12 -3.518 1.336 -4.848 1.00 0.00 C ATOM 173 CG LEU A 12 -2.460 0.584 -4.017 1.00 0.00 C ATOM 174 CD1 LEU A 12 -2.146 -0.842 -4.492 1.00 0.00 C ATOM 175 CD2 LEU A 12 -1.172 1.401 -3.878 1.00 0.00 C ATOM 0 H LEU A 12 -5.007 2.683 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.195 2.591 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.924 2.140 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.338 0.649 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.924 0.464 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.391 -1.284 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.053 -1.445 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.771 -0.810 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.448 0.841 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.758 1.598 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.392 2.346 -3.382 1.00 0.00 H new ATOM 187 N SER A 13 -1.342 0.874 -7.588 1.00 0.00 N ATOM 188 CA SER A 13 -0.732 -0.241 -8.301 1.00 0.00 C ATOM 189 C SER A 13 0.777 -0.290 -8.127 1.00 0.00 C ATOM 190 O SER A 13 1.381 0.630 -7.582 1.00 0.00 O ATOM 191 CB SER A 13 -1.158 -0.215 -9.771 1.00 0.00 C ATOM 192 OG SER A 13 -2.452 -0.763 -9.908 1.00 0.00 O ATOM 0 H SER A 13 -0.718 1.670 -7.456 1.00 0.00 H new ATOM 0 HA SER A 13 -1.098 -1.168 -7.860 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.146 0.809 -10.144 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.448 -0.781 -10.374 1.00 0.00 H new ATOM 0 HG SER A 13 -2.934 -0.681 -9.059 1.00 0.00 H new ATOM 198 N PHE A 14 1.374 -1.426 -8.490 1.00 0.00 N ATOM 199 CA PHE A 14 2.800 -1.657 -8.366 1.00 0.00 C ATOM 200 C PHE A 14 3.455 -1.383 -9.711 1.00 0.00 C ATOM 201 O PHE A 14 2.799 -1.402 -10.757 1.00 0.00 O ATOM 202 CB PHE A 14 3.055 -3.094 -7.898 1.00 0.00 C ATOM 203 CG PHE A 14 2.268 -3.550 -6.686 1.00 0.00 C ATOM 204 CD1 PHE A 14 1.818 -2.637 -5.709 1.00 0.00 C ATOM 205 CD2 PHE A 14 1.958 -4.915 -6.559 1.00 0.00 C ATOM 206 CE1 PHE A 14 0.988 -3.070 -4.663 1.00 0.00 C ATOM 207 CE2 PHE A 14 1.152 -5.347 -5.498 1.00 0.00 C ATOM 208 CZ PHE A 14 0.621 -4.419 -4.590 1.00 0.00 C ATOM 0 H PHE A 14 0.866 -2.218 -8.883 1.00 0.00 H new ATOM 0 HA PHE A 14 3.232 -0.988 -7.622 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.833 -3.769 -8.725 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.117 -3.199 -7.677 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.114 -1.600 -5.766 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.339 -5.627 -7.276 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.636 -2.369 -3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.938 -6.399 -5.379 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.074 -4.747 -3.831 1.00 0.00 H new ATOM 218 N VAL A 15 4.755 -1.152 -9.679 1.00 0.00 N ATOM 219 CA VAL A 15 5.609 -0.895 -10.822 1.00 0.00 C ATOM 220 C VAL A 15 6.967 -1.530 -10.504 1.00 0.00 C ATOM 221 O VAL A 15 7.195 -1.966 -9.378 1.00 0.00 O ATOM 222 CB VAL A 15 5.698 0.631 -11.070 1.00 0.00 C ATOM 223 CG1 VAL A 15 4.514 1.109 -11.919 1.00 0.00 C ATOM 224 CG2 VAL A 15 5.751 1.497 -9.801 1.00 0.00 C ATOM 0 H VAL A 15 5.273 -1.138 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 15 5.218 -1.329 -11.743 1.00 0.00 H new ATOM 0 HB VAL A 15 6.649 0.763 -11.586 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.594 2.184 -12.083 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.524 0.594 -12.880 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.581 0.890 -11.399 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.812 2.549 -10.081 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.851 1.331 -9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.628 1.227 -9.212 1.00 0.00 H new ATOM 234 N ASP A 16 7.882 -1.557 -11.471 1.00 0.00 N ATOM 235 CA ASP A 16 9.302 -1.821 -11.252 1.00 0.00 C ATOM 236 C ASP A 16 9.502 -3.180 -10.573 1.00 0.00 C ATOM 237 O ASP A 16 10.264 -3.304 -9.616 1.00 0.00 O ATOM 238 CB ASP A 16 9.975 -0.659 -10.482 1.00 0.00 C ATOM 239 CG ASP A 16 9.613 0.757 -10.941 1.00 0.00 C ATOM 240 OD1 ASP A 16 9.529 1.026 -12.171 1.00 0.00 O ATOM 241 OD2 ASP A 16 9.399 1.623 -10.066 1.00 0.00 O ATOM 0 H ASP A 16 7.651 -1.392 -12.451 1.00 0.00 H new ATOM 0 HA ASP A 16 9.800 -1.875 -12.220 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.718 -0.753 -9.427 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.056 -0.778 -10.559 1.00 0.00 H new ATOM 246 N ILE A 17 8.788 -4.205 -11.058 1.00 0.00 N ATOM 247 CA ILE A 17 8.640 -5.524 -10.445 1.00 0.00 C ATOM 248 C ILE A 17 9.887 -6.386 -10.755 1.00 0.00 C ATOM 249 O ILE A 17 9.802 -7.464 -11.351 1.00 0.00 O ATOM 250 CB ILE A 17 7.322 -6.170 -10.954 1.00 0.00 C ATOM 251 CG1 ILE A 17 6.091 -5.255 -11.173 1.00 0.00 C ATOM 252 CG2 ILE A 17 6.916 -7.348 -10.046 1.00 0.00 C ATOM 253 CD1 ILE A 17 5.410 -4.724 -9.913 1.00 0.00 C ATOM 0 H ILE A 17 8.273 -4.128 -11.935 1.00 0.00 H new ATOM 0 HA ILE A 17 8.573 -5.443 -9.360 1.00 0.00 H new ATOM 0 HB ILE A 17 7.594 -6.485 -11.961 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.401 -4.404 -11.779 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.353 -5.808 -11.754 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.991 -7.790 -10.416 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.705 -8.100 -10.051 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.765 -6.988 -9.028 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.564 -4.097 -10.194 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.058 -5.561 -9.310 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.122 -4.135 -9.335 1.00 0.00 H new ATOM 265 N THR A 18 11.067 -5.853 -10.468 1.00 0.00 N ATOM 266 CA THR A 18 12.357 -6.519 -10.609 1.00 0.00 C ATOM 267 C THR A 18 12.602 -7.433 -9.400 1.00 0.00 C ATOM 268 O THR A 18 11.828 -7.455 -8.446 1.00 0.00 O ATOM 269 CB THR A 18 13.405 -5.412 -10.848 1.00 0.00 C ATOM 270 OG1 THR A 18 14.654 -5.916 -11.274 1.00 0.00 O ATOM 271 CG2 THR A 18 13.654 -4.505 -9.640 1.00 0.00 C ATOM 0 H THR A 18 11.156 -4.901 -10.114 1.00 0.00 H new ATOM 0 HA THR A 18 12.410 -7.196 -11.462 1.00 0.00 H new ATOM 0 HB THR A 18 12.951 -4.817 -11.641 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.277 -5.172 -11.411 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.404 -3.756 -9.896 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.725 -4.008 -9.361 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.011 -5.104 -8.802 1.00 0.00 H new ATOM 279 N ASP A 19 13.690 -8.199 -9.426 1.00 0.00 N ATOM 280 CA ASP A 19 14.046 -9.138 -8.353 1.00 0.00 C ATOM 281 C ASP A 19 14.719 -8.436 -7.162 1.00 0.00 C ATOM 282 O ASP A 19 15.095 -9.101 -6.191 1.00 0.00 O ATOM 283 CB ASP A 19 14.972 -10.247 -8.879 1.00 0.00 C ATOM 284 CG ASP A 19 14.295 -11.217 -9.848 1.00 0.00 C ATOM 285 OD1 ASP A 19 13.050 -11.347 -9.824 1.00 0.00 O ATOM 286 OD2 ASP A 19 15.027 -11.818 -10.660 1.00 0.00 O ATOM 0 H ASP A 19 14.358 -8.189 -10.197 1.00 0.00 H new ATOM 0 HA ASP A 19 13.111 -9.577 -8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.825 -9.787 -9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.364 -10.810 -8.032 1.00 0.00 H new ATOM 291 N SER A 20 14.922 -7.120 -7.242 1.00 0.00 N ATOM 292 CA SER A 20 15.756 -6.314 -6.351 1.00 0.00 C ATOM 293 C SER A 20 15.067 -5.119 -5.694 1.00 0.00 C ATOM 294 O SER A 20 15.710 -4.366 -4.961 1.00 0.00 O ATOM 295 CB SER A 20 17.030 -5.970 -7.115 1.00 0.00 C ATOM 296 OG SER A 20 16.862 -5.002 -8.141 1.00 0.00 O ATOM 0 H SER A 20 14.484 -6.557 -7.971 1.00 0.00 H new ATOM 0 HA SER A 20 15.997 -6.906 -5.468 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.775 -5.605 -6.408 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.431 -6.882 -7.557 1.00 0.00 H new ATOM 0 HG SER A 20 17.723 -4.837 -8.579 1.00 0.00 H new ATOM 302 N SER A 21 13.782 -4.923 -5.966 1.00 0.00 N ATOM 303 CA SER A 21 12.817 -4.141 -5.195 1.00 0.00 C ATOM 304 C SER A 21 11.453 -4.336 -5.873 1.00 0.00 C ATOM 305 O SER A 21 11.367 -4.937 -6.947 1.00 0.00 O ATOM 306 CB SER A 21 13.213 -2.652 -5.069 1.00 0.00 C ATOM 307 OG SER A 21 14.186 -2.231 -6.006 1.00 0.00 O ATOM 0 H SER A 21 13.353 -5.337 -6.794 1.00 0.00 H new ATOM 0 HA SER A 21 12.784 -4.491 -4.163 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.320 -2.038 -5.188 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.591 -2.472 -4.063 1.00 0.00 H new ATOM 0 HG SER A 21 14.385 -1.281 -5.867 1.00 0.00 H new ATOM 313 N ILE A 22 10.377 -3.832 -5.279 1.00 0.00 N ATOM 314 CA ILE A 22 9.118 -3.591 -5.983 1.00 0.00 C ATOM 315 C ILE A 22 8.808 -2.102 -5.822 1.00 0.00 C ATOM 316 O ILE A 22 9.101 -1.516 -4.779 1.00 0.00 O ATOM 317 CB ILE A 22 8.002 -4.556 -5.496 1.00 0.00 C ATOM 318 CG1 ILE A 22 6.883 -4.685 -6.547 1.00 0.00 C ATOM 319 CG2 ILE A 22 7.425 -4.155 -4.136 1.00 0.00 C ATOM 320 CD1 ILE A 22 5.688 -5.561 -6.122 1.00 0.00 C ATOM 0 H ILE A 22 10.351 -3.577 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 22 9.189 -3.813 -7.048 1.00 0.00 H new ATOM 0 HB ILE A 22 8.472 -5.531 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.515 -3.688 -6.789 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.310 -5.098 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.650 -4.864 -3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.218 -4.159 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.995 -3.156 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.954 -5.590 -6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.035 -6.572 -5.910 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.229 -5.141 -5.227 1.00 0.00 H new ATOM 332 N GLY A 23 8.238 -1.475 -6.841 1.00 0.00 N ATOM 333 CA GLY A 23 7.792 -0.095 -6.802 1.00 0.00 C ATOM 334 C GLY A 23 6.285 -0.039 -6.601 1.00 0.00 C ATOM 335 O GLY A 23 5.572 -1.015 -6.852 1.00 0.00 O ATOM 0 H GLY A 23 8.070 -1.926 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.295 0.435 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.062 0.409 -7.730 1.00 0.00 H new ATOM 339 N LEU A 24 5.775 1.123 -6.205 1.00 0.00 N ATOM 340 CA LEU A 24 4.357 1.439 -6.143 1.00 0.00 C ATOM 341 C LEU A 24 4.120 2.766 -6.837 1.00 0.00 C ATOM 342 O LEU A 24 5.019 3.604 -6.923 1.00 0.00 O ATOM 343 CB LEU A 24 3.865 1.542 -4.693 1.00 0.00 C ATOM 344 CG LEU A 24 3.752 0.185 -3.973 1.00 0.00 C ATOM 345 CD1 LEU A 24 4.702 0.128 -2.780 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.332 -0.024 -3.437 1.00 0.00 C ATOM 0 H LEU A 24 6.365 1.900 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 24 3.806 0.637 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.546 2.183 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.890 2.029 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 24 4.004 -0.588 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.607 -0.838 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.728 0.260 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.451 0.922 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.272 -0.988 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.088 0.771 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.624 -0.004 -4.265 1.00 0.00 H new ATOM 358 N ARG A 25 2.880 2.974 -7.271 1.00 0.00 N ATOM 359 CA ARG A 25 2.380 4.287 -7.633 1.00 0.00 C ATOM 360 C ARG A 25 0.968 4.391 -7.083 1.00 0.00 C ATOM 361 O ARG A 25 0.257 3.386 -6.982 1.00 0.00 O ATOM 362 CB ARG A 25 2.461 4.496 -9.156 1.00 0.00 C ATOM 363 CG ARG A 25 1.741 3.398 -9.951 1.00 0.00 C ATOM 364 CD ARG A 25 1.772 3.671 -11.459 1.00 0.00 C ATOM 365 NE ARG A 25 1.094 2.595 -12.195 1.00 0.00 N ATOM 366 CZ ARG A 25 -0.212 2.306 -12.168 1.00 0.00 C ATOM 367 NH1 ARG A 25 -1.100 3.119 -11.603 1.00 0.00 N ATOM 368 NH2 ARG A 25 -0.627 1.152 -12.673 1.00 0.00 N ATOM 0 H ARG A 25 2.193 2.228 -7.380 1.00 0.00 H new ATOM 0 HA ARG A 25 2.986 5.085 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.027 5.463 -9.408 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.508 4.528 -9.458 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.209 2.435 -9.747 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.706 3.326 -9.616 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.288 4.624 -11.671 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.805 3.755 -11.797 1.00 0.00 H new ATOM 0 HE ARG A 25 1.680 2.007 -12.788 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.792 3.992 -11.174 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.089 2.870 -11.599 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.046 0.499 -13.074 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.619 0.917 -12.660 1.00 0.00 H new ATOM 382 N TRP A 26 0.561 5.594 -6.701 1.00 0.00 N ATOM 383 CA TRP A 26 -0.839 5.936 -6.486 1.00 0.00 C ATOM 384 C TRP A 26 -1.022 7.442 -6.709 1.00 0.00 C ATOM 385 O TRP A 26 -0.062 8.153 -7.017 1.00 0.00 O ATOM 386 CB TRP A 26 -1.323 5.437 -5.107 1.00 0.00 C ATOM 387 CG TRP A 26 -0.623 5.962 -3.885 1.00 0.00 C ATOM 388 CD1 TRP A 26 -0.811 7.177 -3.319 1.00 0.00 C ATOM 389 CD2 TRP A 26 0.423 5.315 -3.091 1.00 0.00 C ATOM 390 NE1 TRP A 26 0.101 7.359 -2.303 1.00 0.00 N ATOM 391 CE2 TRP A 26 0.892 6.247 -2.118 1.00 0.00 C ATOM 392 CE3 TRP A 26 1.116 4.091 -3.185 1.00 0.00 C ATOM 393 CZ2 TRP A 26 2.045 6.014 -1.356 1.00 0.00 C ATOM 394 CZ3 TRP A 26 2.256 3.837 -2.400 1.00 0.00 C ATOM 395 CH2 TRP A 26 2.752 4.811 -1.523 1.00 0.00 C ATOM 0 H TRP A 26 1.201 6.369 -6.530 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.475 5.425 -7.209 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.382 5.679 -5.016 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.243 4.350 -5.097 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.561 7.894 -3.618 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.181 8.215 -1.754 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.766 3.335 -3.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.387 6.753 -0.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.754 2.881 -2.474 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.670 4.639 -0.980 1.00 0.00 H new ATOM 406 N THR A 27 -2.249 7.941 -6.549 1.00 0.00 N ATOM 407 CA THR A 27 -2.599 9.333 -6.765 1.00 0.00 C ATOM 408 C THR A 27 -2.501 10.014 -5.398 1.00 0.00 C ATOM 409 O THR A 27 -3.310 9.680 -4.529 1.00 0.00 O ATOM 410 CB THR A 27 -4.004 9.445 -7.380 1.00 0.00 C ATOM 411 OG1 THR A 27 -4.045 8.958 -8.708 1.00 0.00 O ATOM 412 CG2 THR A 27 -4.474 10.900 -7.426 1.00 0.00 C ATOM 0 H THR A 27 -3.042 7.368 -6.258 1.00 0.00 H new ATOM 0 HA THR A 27 -1.928 9.819 -7.473 1.00 0.00 H new ATOM 0 HB THR A 27 -4.652 8.845 -6.741 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.238 8.431 -8.888 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.470 10.947 -7.866 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.505 11.305 -6.414 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.783 11.487 -8.031 1.00 0.00 H new ATOM 420 N PRO A 28 -1.480 10.846 -5.135 1.00 0.00 N ATOM 421 CA PRO A 28 -1.342 11.509 -3.853 1.00 0.00 C ATOM 422 C PRO A 28 -2.533 12.435 -3.611 1.00 0.00 C ATOM 423 O PRO A 28 -3.041 13.112 -4.512 1.00 0.00 O ATOM 424 CB PRO A 28 -0.033 12.286 -3.919 1.00 0.00 C ATOM 425 CG PRO A 28 0.086 12.610 -5.402 1.00 0.00 C ATOM 426 CD PRO A 28 -0.516 11.384 -6.081 1.00 0.00 C ATOM 0 HA PRO A 28 -1.325 10.800 -3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.066 13.188 -3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.809 11.692 -3.565 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.457 13.519 -5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.124 12.764 -5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.998 11.654 -7.021 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.254 10.649 -6.317 1.00 0.00 H new ATOM 434 N LEU A 29 -3.009 12.425 -2.378 1.00 0.00 N ATOM 435 CA LEU A 29 -4.042 13.291 -1.850 1.00 0.00 C ATOM 436 C LEU A 29 -3.332 14.442 -1.166 1.00 0.00 C ATOM 437 O LEU A 29 -2.382 14.214 -0.421 1.00 0.00 O ATOM 438 CB LEU A 29 -5.049 12.504 -0.979 1.00 0.00 C ATOM 439 CG LEU A 29 -5.529 11.198 -1.666 1.00 0.00 C ATOM 440 CD1 LEU A 29 -5.564 9.950 -0.791 1.00 0.00 C ATOM 441 CD2 LEU A 29 -6.898 11.395 -2.321 1.00 0.00 C ATOM 0 H LEU A 29 -2.661 11.770 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.679 13.708 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.586 12.260 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.911 13.136 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.758 11.006 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.915 9.103 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.562 9.741 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.240 10.113 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.212 10.465 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.627 11.679 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.832 12.181 -3.073 1.00 0.00 H new ATOM 453 N ASN A 30 -3.763 15.668 -1.453 1.00 0.00 N ATOM 454 CA ASN A 30 -3.159 16.897 -0.929 1.00 0.00 C ATOM 455 C ASN A 30 -4.068 17.501 0.148 1.00 0.00 C ATOM 456 O ASN A 30 -3.995 18.704 0.415 1.00 0.00 O ATOM 457 CB ASN A 30 -2.895 17.889 -2.083 1.00 0.00 C ATOM 458 CG ASN A 30 -1.631 17.569 -2.869 1.00 0.00 C ATOM 459 OD1 ASN A 30 -0.654 18.314 -2.808 1.00 0.00 O ATOM 460 ND2 ASN A 30 -1.624 16.489 -3.630 1.00 0.00 N ATOM 0 H ASN A 30 -4.558 15.842 -2.068 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.199 16.669 -0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.748 17.883 -2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.817 18.897 -1.677 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.797 16.259 -4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.445 15.885 -3.666 1.00 0.00 H new ATOM 467 N SER A 31 -4.987 16.701 0.707 1.00 0.00 N ATOM 468 CA SER A 31 -6.084 17.246 1.500 1.00 0.00 C ATOM 469 C SER A 31 -5.524 17.929 2.763 1.00 0.00 C ATOM 470 O SER A 31 -4.428 17.591 3.212 1.00 0.00 O ATOM 471 CB SER A 31 -7.101 16.130 1.802 1.00 0.00 C ATOM 472 OG SER A 31 -6.932 15.515 3.060 1.00 0.00 O ATOM 0 H SER A 31 -4.988 15.684 0.623 1.00 0.00 H new ATOM 0 HA SER A 31 -6.619 18.017 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.107 16.546 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.028 15.368 1.026 1.00 0.00 H new ATOM 0 HG SER A 31 -7.613 14.821 3.179 1.00 0.00 H new ATOM 478 N SER A 32 -6.264 18.847 3.387 1.00 0.00 N ATOM 479 CA SER A 32 -5.855 19.516 4.624 1.00 0.00 C ATOM 480 C SER A 32 -6.167 18.658 5.864 1.00 0.00 C ATOM 481 O SER A 32 -6.755 19.151 6.829 1.00 0.00 O ATOM 482 CB SER A 32 -6.510 20.903 4.670 1.00 0.00 C ATOM 483 OG SER A 32 -7.912 20.804 4.488 1.00 0.00 O ATOM 0 H SER A 32 -7.175 19.151 3.044 1.00 0.00 H new ATOM 0 HA SER A 32 -4.773 19.647 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.296 21.380 5.627 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.082 21.538 3.894 1.00 0.00 H new ATOM 0 HG SER A 32 -8.310 21.699 4.522 1.00 0.00 H new ATOM 489 N THR A 33 -5.882 17.354 5.811 1.00 0.00 N ATOM 490 CA THR A 33 -6.236 16.409 6.871 1.00 0.00 C ATOM 491 C THR A 33 -5.607 15.024 6.667 1.00 0.00 C ATOM 492 O THR A 33 -5.558 14.234 7.613 1.00 0.00 O ATOM 493 CB THR A 33 -7.784 16.343 6.970 1.00 0.00 C ATOM 494 OG1 THR A 33 -8.213 16.789 8.241 1.00 0.00 O ATOM 495 CG2 THR A 33 -8.439 14.985 6.710 1.00 0.00 C ATOM 0 H THR A 33 -5.396 16.922 5.025 1.00 0.00 H new ATOM 0 HA THR A 33 -5.825 16.765 7.816 1.00 0.00 H new ATOM 0 HB THR A 33 -8.109 16.991 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.191 16.744 8.291 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.520 15.077 6.811 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.196 14.651 5.701 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.068 14.258 7.432 1.00 0.00 H new ATOM 503 N ILE A 34 -5.219 14.678 5.438 1.00 0.00 N ATOM 504 CA ILE A 34 -4.677 13.374 5.096 1.00 0.00 C ATOM 505 C ILE A 34 -3.363 13.161 5.851 1.00 0.00 C ATOM 506 O ILE A 34 -2.429 13.946 5.693 1.00 0.00 O ATOM 507 CB ILE A 34 -4.577 13.252 3.564 1.00 0.00 C ATOM 508 CG1 ILE A 34 -4.361 11.814 3.097 1.00 0.00 C ATOM 509 CG2 ILE A 34 -3.617 14.250 2.935 1.00 0.00 C ATOM 510 CD1 ILE A 34 -2.931 11.378 2.771 1.00 0.00 C ATOM 0 H ILE A 34 -5.276 15.313 4.642 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.334 12.564 5.413 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.557 13.538 3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.746 11.149 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.971 11.655 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.598 14.105 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.948 15.264 3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.616 14.097 3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.932 10.335 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.535 12.001 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.306 11.487 3.658 1.00 0.00 H new ATOM 522 N ILE A 35 -3.267 12.113 6.671 1.00 0.00 N ATOM 523 CA ILE A 35 -2.049 11.904 7.454 1.00 0.00 C ATOM 524 C ILE A 35 -1.052 11.183 6.566 1.00 0.00 C ATOM 525 O ILE A 35 0.111 11.580 6.514 1.00 0.00 O ATOM 526 CB ILE A 35 -2.333 11.101 8.731 1.00 0.00 C ATOM 527 CG1 ILE A 35 -3.218 11.917 9.695 1.00 0.00 C ATOM 528 CG2 ILE A 35 -1.083 10.629 9.481 1.00 0.00 C ATOM 529 CD1 ILE A 35 -4.444 11.100 10.068 1.00 0.00 C ATOM 0 H ILE A 35 -3.996 11.413 6.808 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.645 12.863 7.778 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.848 10.203 8.390 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.655 12.178 10.591 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.520 12.853 9.225 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.380 10.071 10.369 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.489 9.987 8.831 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.489 11.493 9.778 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.071 11.675 10.749 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.010 10.862 9.168 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.131 10.176 10.555 1.00 0.00 H new ATOM 541 N GLY A 36 -1.490 10.134 5.865 1.00 0.00 N ATOM 542 CA GLY A 36 -0.565 9.404 5.029 1.00 0.00 C ATOM 543 C GLY A 36 -1.081 8.065 4.554 1.00 0.00 C ATOM 544 O GLY A 36 -2.294 7.874 4.407 1.00 0.00 O ATOM 0 H GLY A 36 -2.449 9.788 5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.319 10.015 4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.361 9.248 5.582 1.00 0.00 H new ATOM 548 N TYR A 37 -0.144 7.158 4.277 1.00 0.00 N ATOM 549 CA TYR A 37 -0.441 5.830 3.789 1.00 0.00 C ATOM 550 C TYR A 37 0.489 4.874 4.527 1.00 0.00 C ATOM 551 O TYR A 37 1.636 5.220 4.821 1.00 0.00 O ATOM 552 CB TYR A 37 -0.204 5.746 2.259 1.00 0.00 C ATOM 553 CG TYR A 37 -0.588 6.977 1.460 1.00 0.00 C ATOM 554 CD1 TYR A 37 0.322 8.037 1.283 1.00 0.00 C ATOM 555 CD2 TYR A 37 -1.871 7.065 0.906 1.00 0.00 C ATOM 556 CE1 TYR A 37 -0.069 9.197 0.595 1.00 0.00 C ATOM 557 CE2 TYR A 37 -2.268 8.221 0.219 1.00 0.00 C ATOM 558 CZ TYR A 37 -1.385 9.314 0.092 1.00 0.00 C ATOM 559 OH TYR A 37 -1.803 10.472 -0.493 1.00 0.00 O ATOM 0 H TYR A 37 0.854 7.337 4.390 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.485 5.574 3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.852 5.539 2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.764 4.895 1.870 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.324 7.958 1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.558 6.238 1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.637 10.001 0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.255 8.275 -0.215 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.387 11.236 -0.041 1.00 0.00 H new ATOM 569 N ARG A 38 -0.012 3.675 4.798 1.00 0.00 N ATOM 570 CA ARG A 38 0.623 2.654 5.612 1.00 0.00 C ATOM 571 C ARG A 38 0.718 1.386 4.772 1.00 0.00 C ATOM 572 O ARG A 38 -0.313 0.870 4.323 1.00 0.00 O ATOM 573 CB ARG A 38 -0.227 2.492 6.886 1.00 0.00 C ATOM 574 CG ARG A 38 0.038 1.227 7.717 1.00 0.00 C ATOM 575 CD ARG A 38 -1.039 0.158 7.495 1.00 0.00 C ATOM 576 NE ARG A 38 -0.961 -0.881 8.530 1.00 0.00 N ATOM 577 CZ ARG A 38 -1.683 -1.998 8.596 1.00 0.00 C ATOM 578 NH1 ARG A 38 -2.346 -2.445 7.538 1.00 0.00 N ATOM 579 NH2 ARG A 38 -1.704 -2.691 9.721 1.00 0.00 N ATOM 0 H ARG A 38 -0.918 3.377 4.436 1.00 0.00 H new ATOM 0 HA ARG A 38 1.636 2.910 5.923 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.062 3.362 7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.279 2.501 6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.014 0.819 7.454 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.076 1.489 8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.026 0.620 7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.914 -0.292 6.510 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.283 -0.731 9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.307 -1.931 6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.895 -3.302 7.605 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.170 -2.369 10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.254 -3.548 9.782 1.00 0.00 H new ATOM 593 N ILE A 39 1.930 0.899 4.514 1.00 0.00 N ATOM 594 CA ILE A 39 2.183 -0.150 3.528 1.00 0.00 C ATOM 595 C ILE A 39 2.666 -1.378 4.268 1.00 0.00 C ATOM 596 O ILE A 39 3.744 -1.352 4.856 1.00 0.00 O ATOM 597 CB ILE A 39 3.159 0.339 2.442 1.00 0.00 C ATOM 598 CG1 ILE A 39 2.416 1.404 1.623 1.00 0.00 C ATOM 599 CG2 ILE A 39 3.602 -0.801 1.500 1.00 0.00 C ATOM 600 CD1 ILE A 39 3.314 2.294 0.783 1.00 0.00 C ATOM 0 H ILE A 39 2.772 1.225 4.988 1.00 0.00 H new ATOM 0 HA ILE A 39 1.271 -0.411 2.992 1.00 0.00 H new ATOM 0 HB ILE A 39 4.058 0.731 2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.703 0.906 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.839 2.030 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.289 -0.408 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.102 -1.578 2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.728 -1.223 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.705 3.016 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.011 2.824 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.872 1.682 0.074 1.00 0.00 H new ATOM 612 N THR A 40 1.886 -2.453 4.224 1.00 0.00 N ATOM 613 CA THR A 40 2.080 -3.596 5.091 1.00 0.00 C ATOM 614 C THR A 40 2.160 -4.792 4.168 1.00 0.00 C ATOM 615 O THR A 40 1.171 -5.229 3.576 1.00 0.00 O ATOM 616 CB THR A 40 0.952 -3.662 6.126 1.00 0.00 C ATOM 617 OG1 THR A 40 1.064 -2.501 6.921 1.00 0.00 O ATOM 618 CG2 THR A 40 1.090 -4.873 7.052 1.00 0.00 C ATOM 0 H THR A 40 1.100 -2.550 3.581 1.00 0.00 H new ATOM 0 HA THR A 40 2.992 -3.547 5.686 1.00 0.00 H new ATOM 0 HB THR A 40 -0.003 -3.740 5.606 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.887 -2.728 7.858 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.269 -4.878 7.769 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.062 -5.788 6.461 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.038 -4.816 7.587 1.00 0.00 H new ATOM 626 N VAL A 41 3.374 -5.275 3.969 1.00 0.00 N ATOM 627 CA VAL A 41 3.631 -6.487 3.220 1.00 0.00 C ATOM 628 C VAL A 41 3.560 -7.693 4.143 1.00 0.00 C ATOM 629 O VAL A 41 4.043 -7.652 5.283 1.00 0.00 O ATOM 630 CB VAL A 41 4.929 -6.403 2.385 1.00 0.00 C ATOM 631 CG1 VAL A 41 4.598 -6.535 0.908 1.00 0.00 C ATOM 632 CG2 VAL A 41 5.626 -5.014 2.464 1.00 0.00 C ATOM 0 H VAL A 41 4.218 -4.829 4.329 1.00 0.00 H new ATOM 0 HA VAL A 41 2.846 -6.612 2.475 1.00 0.00 H new ATOM 0 HB VAL A 41 5.568 -7.191 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.516 -6.475 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.115 -7.495 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.926 -5.729 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.530 -5.025 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.948 -4.245 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.889 -4.797 3.499 1.00 0.00 H new ATOM 642 N VAL A 42 2.937 -8.752 3.632 1.00 0.00 N ATOM 643 CA VAL A 42 2.986 -10.079 4.230 1.00 0.00 C ATOM 644 C VAL A 42 3.278 -11.068 3.097 1.00 0.00 C ATOM 645 O VAL A 42 3.019 -10.753 1.927 1.00 0.00 O ATOM 646 CB VAL A 42 1.696 -10.374 5.041 1.00 0.00 C ATOM 647 CG1 VAL A 42 1.113 -9.151 5.759 1.00 0.00 C ATOM 648 CG2 VAL A 42 0.585 -10.944 4.173 1.00 0.00 C ATOM 0 H VAL A 42 2.378 -8.710 2.780 1.00 0.00 H new ATOM 0 HA VAL A 42 3.781 -10.168 4.970 1.00 0.00 H new ATOM 0 HB VAL A 42 2.028 -11.101 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.214 -9.442 6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.848 -8.756 6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.862 -8.384 5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.296 -11.133 4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.334 -10.230 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.919 -11.878 3.721 1.00 0.00 H new ATOM 658 N ALA A 43 3.705 -12.287 3.432 1.00 0.00 N ATOM 659 CA ALA A 43 3.888 -13.344 2.449 1.00 0.00 C ATOM 660 C ALA A 43 2.516 -13.958 2.191 1.00 0.00 C ATOM 661 O ALA A 43 1.898 -14.473 3.122 1.00 0.00 O ATOM 662 CB ALA A 43 4.882 -14.395 2.955 1.00 0.00 C ATOM 0 H ALA A 43 3.931 -12.563 4.388 1.00 0.00 H new ATOM 0 HA ALA A 43 4.304 -12.944 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.002 -15.174 2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.846 -13.923 3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.506 -14.836 3.878 1.00 0.00 H new ATOM 668 N ALA A 44 2.038 -13.880 0.950 1.00 0.00 N ATOM 669 CA ALA A 44 0.915 -14.616 0.366 1.00 0.00 C ATOM 670 C ALA A 44 -0.438 -14.399 1.051 1.00 0.00 C ATOM 671 O ALA A 44 -1.374 -15.181 0.863 1.00 0.00 O ATOM 672 CB ALA A 44 1.280 -16.105 0.259 1.00 0.00 C ATOM 0 H ALA A 44 2.461 -13.248 0.270 1.00 0.00 H new ATOM 0 HA ALA A 44 0.759 -14.200 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.445 -16.654 -0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.159 -16.219 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.496 -16.499 1.252 1.00 0.00 H new ATOM 707 N ILE A 48 1.999 -14.561 7.829 1.00 0.00 N ATOM 708 CA ILE A 48 3.448 -14.355 7.893 1.00 0.00 C ATOM 709 C ILE A 48 3.789 -12.885 7.584 1.00 0.00 C ATOM 710 O ILE A 48 3.755 -12.509 6.408 1.00 0.00 O ATOM 711 CB ILE A 48 4.150 -15.372 6.954 1.00 0.00 C ATOM 712 CG1 ILE A 48 3.937 -16.809 7.486 1.00 0.00 C ATOM 713 CG2 ILE A 48 5.651 -15.072 6.773 1.00 0.00 C ATOM 714 CD1 ILE A 48 4.519 -17.905 6.586 1.00 0.00 C ATOM 0 HA ILE A 48 3.822 -14.543 8.900 1.00 0.00 H new ATOM 0 HB ILE A 48 3.695 -15.278 5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.388 -16.889 8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.868 -16.984 7.608 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.093 -15.814 6.107 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.774 -14.078 6.342 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.149 -15.112 7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.327 -18.881 7.031 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.051 -17.856 5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.594 -17.759 6.483 1.00 0.00 H new ATOM 726 N PRO A 49 4.081 -12.044 8.593 1.00 0.00 N ATOM 727 CA PRO A 49 4.335 -10.630 8.381 1.00 0.00 C ATOM 728 C PRO A 49 5.735 -10.431 7.805 1.00 0.00 C ATOM 729 O PRO A 49 6.652 -11.206 8.096 1.00 0.00 O ATOM 730 CB PRO A 49 4.221 -9.997 9.770 1.00 0.00 C ATOM 731 CG PRO A 49 4.698 -11.105 10.706 1.00 0.00 C ATOM 732 CD PRO A 49 4.241 -12.383 10.002 1.00 0.00 C ATOM 0 HA PRO A 49 3.637 -10.181 7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.840 -9.104 9.856 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.197 -9.697 9.992 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.780 -11.083 10.837 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.255 -11.012 11.698 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.974 -13.179 10.129 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.303 -12.744 10.423 1.00 0.00 H new ATOM 740 N ILE A 50 5.921 -9.348 7.053 1.00 0.00 N ATOM 741 CA ILE A 50 7.241 -8.816 6.760 1.00 0.00 C ATOM 742 C ILE A 50 7.328 -7.552 7.621 1.00 0.00 C ATOM 743 O ILE A 50 7.624 -7.663 8.815 1.00 0.00 O ATOM 744 CB ILE A 50 7.484 -8.753 5.227 1.00 0.00 C ATOM 745 CG1 ILE A 50 7.878 -10.156 4.694 1.00 0.00 C ATOM 746 CG2 ILE A 50 8.578 -7.764 4.791 1.00 0.00 C ATOM 747 CD1 ILE A 50 6.697 -11.092 4.429 1.00 0.00 C ATOM 0 H ILE A 50 5.158 -8.818 6.632 1.00 0.00 H new ATOM 0 HA ILE A 50 8.098 -9.431 7.035 1.00 0.00 H new ATOM 0 HB ILE A 50 6.541 -8.401 4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.442 -10.034 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.545 -10.629 5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.678 -7.787 3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.306 -6.757 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.526 -8.045 5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.067 -12.048 4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.143 -11.250 5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.039 -10.645 3.684 1.00 0.00 H new ATOM 759 N PHE A 51 6.965 -6.375 7.114 1.00 0.00 N ATOM 760 CA PHE A 51 6.960 -5.153 7.906 1.00 0.00 C ATOM 761 C PHE A 51 5.818 -4.238 7.462 1.00 0.00 C ATOM 762 O PHE A 51 5.176 -4.470 6.430 1.00 0.00 O ATOM 763 CB PHE A 51 8.348 -4.474 7.853 1.00 0.00 C ATOM 764 CG PHE A 51 8.748 -3.874 6.516 1.00 0.00 C ATOM 765 CD1 PHE A 51 8.253 -2.612 6.150 1.00 0.00 C ATOM 766 CD2 PHE A 51 9.607 -4.558 5.631 1.00 0.00 C ATOM 767 CE1 PHE A 51 8.569 -2.071 4.900 1.00 0.00 C ATOM 768 CE2 PHE A 51 9.917 -4.007 4.371 1.00 0.00 C ATOM 769 CZ PHE A 51 9.394 -2.753 4.007 1.00 0.00 C ATOM 0 H PHE A 51 6.668 -6.245 6.147 1.00 0.00 H new ATOM 0 HA PHE A 51 6.774 -5.392 8.953 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.373 -3.685 8.604 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.101 -5.209 8.138 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.627 -2.059 6.835 1.00 0.00 H new ATOM 0 HD2 PHE A 51 10.030 -5.509 5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.167 -1.108 4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.555 -4.547 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.629 -2.323 3.045 1.00 0.00 H new ATOM 779 N GLU A 52 5.601 -3.183 8.250 1.00 0.00 N ATOM 780 CA GLU A 52 4.683 -2.082 7.994 1.00 0.00 C ATOM 781 C GLU A 52 5.529 -0.808 7.880 1.00 0.00 C ATOM 782 O GLU A 52 6.388 -0.530 8.724 1.00 0.00 O ATOM 783 CB GLU A 52 3.548 -2.036 9.039 1.00 0.00 C ATOM 784 CG GLU A 52 3.973 -2.007 10.517 1.00 0.00 C ATOM 785 CD GLU A 52 3.723 -0.695 11.266 1.00 0.00 C ATOM 786 OE1 GLU A 52 2.582 -0.435 11.718 1.00 0.00 O ATOM 787 OE2 GLU A 52 4.719 0.004 11.567 1.00 0.00 O ATOM 0 H GLU A 52 6.093 -3.072 9.136 1.00 0.00 H new ATOM 0 HA GLU A 52 4.144 -2.208 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.939 -1.153 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.908 -2.905 8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.448 -2.806 11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.037 -2.236 10.572 1.00 0.00 H new ATOM 794 N ASP A 53 5.390 -0.112 6.756 1.00 0.00 N ATOM 795 CA ASP A 53 6.030 1.153 6.393 1.00 0.00 C ATOM 796 C ASP A 53 5.018 2.287 6.528 1.00 0.00 C ATOM 797 O ASP A 53 3.807 2.047 6.513 1.00 0.00 O ATOM 798 CB ASP A 53 6.589 1.067 4.965 1.00 0.00 C ATOM 799 CG ASP A 53 6.635 2.403 4.227 1.00 0.00 C ATOM 800 OD1 ASP A 53 5.622 2.771 3.603 1.00 0.00 O ATOM 801 OD2 ASP A 53 7.694 3.061 4.345 1.00 0.00 O ATOM 0 H ASP A 53 4.776 -0.444 6.012 1.00 0.00 H new ATOM 0 HA ASP A 53 6.864 1.354 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.596 0.653 5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.980 0.369 4.391 1.00 0.00 H new ATOM 806 N PHE A 54 5.515 3.515 6.654 1.00 0.00 N ATOM 807 CA PHE A 54 4.730 4.712 6.434 1.00 0.00 C ATOM 808 C PHE A 54 5.496 5.589 5.454 1.00 0.00 C ATOM 809 O PHE A 54 6.732 5.661 5.526 1.00 0.00 O ATOM 810 CB PHE A 54 4.579 5.466 7.764 1.00 0.00 C ATOM 811 CG PHE A 54 3.144 5.625 8.185 1.00 0.00 C ATOM 812 CD1 PHE A 54 2.363 6.658 7.638 1.00 0.00 C ATOM 813 CD2 PHE A 54 2.583 4.716 9.096 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.010 6.763 7.986 1.00 0.00 C ATOM 815 CE2 PHE A 54 1.234 4.821 9.449 1.00 0.00 C ATOM 816 CZ PHE A 54 0.451 5.837 8.883 1.00 0.00 C ATOM 0 H PHE A 54 6.483 3.702 6.914 1.00 0.00 H new ATOM 0 HA PHE A 54 3.743 4.461 6.045 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.124 4.932 8.543 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.037 6.451 7.672 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.804 7.367 6.953 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.194 3.935 9.524 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.401 7.550 7.568 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.799 4.126 10.152 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.596 5.909 9.140 1.00 0.00 H new ATOM 826 N VAL A 55 4.775 6.426 4.717 1.00 0.00 N ATOM 827 CA VAL A 55 5.376 7.358 3.761 1.00 0.00 C ATOM 828 C VAL A 55 5.117 8.777 4.284 1.00 0.00 C ATOM 829 O VAL A 55 4.629 8.916 5.409 1.00 0.00 O ATOM 830 CB VAL A 55 4.873 7.056 2.323 1.00 0.00 C ATOM 831 CG1 VAL A 55 6.000 6.415 1.506 1.00 0.00 C ATOM 832 CG2 VAL A 55 3.644 6.136 2.229 1.00 0.00 C ATOM 0 H VAL A 55 3.757 6.480 4.763 1.00 0.00 H new ATOM 0 HA VAL A 55 6.457 7.246 3.680 1.00 0.00 H new ATOM 0 HB VAL A 55 4.566 8.026 1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.644 6.204 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.847 7.099 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.311 5.485 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.377 5.991 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.876 5.172 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.807 6.592 2.757 1.00 0.00 H new ATOM 842 N ASP A 56 5.417 9.834 3.527 1.00 0.00 N ATOM 843 CA ASP A 56 5.168 11.219 3.947 1.00 0.00 C ATOM 844 C ASP A 56 3.675 11.457 4.208 1.00 0.00 C ATOM 845 O ASP A 56 3.218 11.386 5.344 1.00 0.00 O ATOM 846 CB ASP A 56 5.747 12.211 2.915 1.00 0.00 C ATOM 847 CG ASP A 56 6.489 13.385 3.541 1.00 0.00 C ATOM 848 OD1 ASP A 56 7.227 13.181 4.534 1.00 0.00 O ATOM 849 OD2 ASP A 56 6.433 14.487 2.946 1.00 0.00 O ATOM 0 H ASP A 56 5.841 9.756 2.602 1.00 0.00 H new ATOM 0 HA ASP A 56 5.684 11.394 4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.426 11.676 2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.935 12.594 2.298 1.00 0.00 H new ATOM 854 N SER A 57 2.877 11.617 3.151 1.00 0.00 N ATOM 855 CA SER A 57 1.527 12.190 3.153 1.00 0.00 C ATOM 856 C SER A 57 1.053 12.471 1.733 1.00 0.00 C ATOM 857 O SER A 57 -0.085 12.180 1.370 1.00 0.00 O ATOM 858 CB SER A 57 1.489 13.482 3.988 1.00 0.00 C ATOM 859 OG SER A 57 2.578 14.315 3.627 1.00 0.00 O ATOM 0 H SER A 57 3.171 11.334 2.216 1.00 0.00 H new ATOM 0 HA SER A 57 0.854 11.461 3.603 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.547 14.006 3.823 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.538 13.242 5.050 1.00 0.00 H new ATOM 0 HG SER A 57 2.551 15.138 4.159 1.00 0.00 H new ATOM 865 N SER A 58 1.970 12.929 0.887 1.00 0.00 N ATOM 866 CA SER A 58 1.710 13.417 -0.456 1.00 0.00 C ATOM 867 C SER A 58 2.560 12.658 -1.472 1.00 0.00 C ATOM 868 O SER A 58 2.764 13.105 -2.601 1.00 0.00 O ATOM 869 CB SER A 58 1.863 14.941 -0.439 1.00 0.00 C ATOM 870 OG SER A 58 3.191 15.293 -0.106 1.00 0.00 O ATOM 0 H SER A 58 2.959 12.970 1.134 1.00 0.00 H new ATOM 0 HA SER A 58 0.690 13.220 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.604 15.351 -1.415 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.172 15.376 0.283 1.00 0.00 H new ATOM 0 HG SER A 58 3.279 16.269 -0.099 1.00 0.00 H new ATOM 876 N VAL A 59 3.037 11.471 -1.081 1.00 0.00 N ATOM 877 CA VAL A 59 3.933 10.688 -1.921 1.00 0.00 C ATOM 878 C VAL A 59 3.099 10.097 -3.051 1.00 0.00 C ATOM 879 O VAL A 59 2.121 9.382 -2.812 1.00 0.00 O ATOM 880 CB VAL A 59 4.625 9.590 -1.090 1.00 0.00 C ATOM 881 CG1 VAL A 59 5.410 8.597 -1.968 1.00 0.00 C ATOM 882 CG2 VAL A 59 5.582 10.229 -0.079 1.00 0.00 C ATOM 0 H VAL A 59 2.814 11.036 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 59 4.724 11.312 -2.336 1.00 0.00 H new ATOM 0 HB VAL A 59 3.840 9.035 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.879 7.844 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.728 8.111 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.179 9.133 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.068 9.448 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.337 10.809 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.022 10.885 0.587 1.00 0.00 H new ATOM 892 N GLY A 60 3.515 10.374 -4.282 1.00 0.00 N ATOM 893 CA GLY A 60 2.922 9.869 -5.506 1.00 0.00 C ATOM 894 C GLY A 60 3.726 8.720 -6.126 1.00 0.00 C ATOM 895 O GLY A 60 3.337 8.231 -7.186 1.00 0.00 O ATOM 0 H GLY A 60 4.312 10.986 -4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.908 9.526 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.842 10.682 -6.228 1.00 0.00 H new ATOM 899 N TYR A 61 4.804 8.278 -5.464 1.00 0.00 N ATOM 900 CA TYR A 61 5.635 7.158 -5.896 1.00 0.00 C ATOM 901 C TYR A 61 6.518 6.646 -4.738 1.00 0.00 C ATOM 902 O TYR A 61 7.235 7.455 -4.135 1.00 0.00 O ATOM 903 CB TYR A 61 6.525 7.675 -7.037 1.00 0.00 C ATOM 904 CG TYR A 61 6.935 6.598 -7.995 1.00 0.00 C ATOM 905 CD1 TYR A 61 8.114 5.870 -7.777 1.00 0.00 C ATOM 906 CD2 TYR A 61 6.130 6.336 -9.114 1.00 0.00 C ATOM 907 CE1 TYR A 61 8.500 4.881 -8.691 1.00 0.00 C ATOM 908 CE2 TYR A 61 6.519 5.360 -10.038 1.00 0.00 C ATOM 909 CZ TYR A 61 7.707 4.623 -9.836 1.00 0.00 C ATOM 910 OH TYR A 61 8.071 3.700 -10.768 1.00 0.00 O ATOM 0 H TYR A 61 5.125 8.702 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 61 5.009 6.328 -6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.992 8.454 -7.582 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.417 8.136 -6.614 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.722 6.071 -6.907 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.213 6.886 -9.262 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.404 4.314 -8.522 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.909 5.169 -10.909 1.00 0.00 H new ATOM 0 HH TYR A 61 8.760 3.112 -10.394 1.00 0.00 H new ATOM 920 N TYR A 62 6.521 5.348 -4.416 1.00 0.00 N ATOM 921 CA TYR A 62 7.334 4.764 -3.337 1.00 0.00 C ATOM 922 C TYR A 62 7.909 3.425 -3.810 1.00 0.00 C ATOM 923 O TYR A 62 7.420 2.844 -4.777 1.00 0.00 O ATOM 924 CB TYR A 62 6.500 4.654 -2.050 1.00 0.00 C ATOM 925 CG TYR A 62 7.057 3.783 -0.927 1.00 0.00 C ATOM 926 CD1 TYR A 62 8.208 4.143 -0.192 1.00 0.00 C ATOM 927 CD2 TYR A 62 6.401 2.589 -0.601 1.00 0.00 C ATOM 928 CE1 TYR A 62 8.704 3.292 0.820 1.00 0.00 C ATOM 929 CE2 TYR A 62 6.869 1.752 0.419 1.00 0.00 C ATOM 930 CZ TYR A 62 8.054 2.070 1.110 1.00 0.00 C ATOM 931 OH TYR A 62 8.576 1.168 1.995 1.00 0.00 O ATOM 0 H TYR A 62 5.949 4.659 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 62 8.179 5.409 -3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.354 5.660 -1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.516 4.270 -2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.712 5.074 -0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.514 2.308 -1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.585 3.576 1.376 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.319 0.859 0.677 1.00 0.00 H new ATOM 0 HH TYR A 62 7.982 0.391 2.059 1.00 0.00 H new ATOM 941 N THR A 63 8.938 2.921 -3.132 1.00 0.00 N ATOM 942 CA THR A 63 9.687 1.731 -3.521 1.00 0.00 C ATOM 943 C THR A 63 9.956 0.904 -2.260 1.00 0.00 C ATOM 944 O THR A 63 10.097 1.473 -1.177 1.00 0.00 O ATOM 945 CB THR A 63 10.988 2.182 -4.221 1.00 0.00 C ATOM 946 OG1 THR A 63 10.714 3.180 -5.197 1.00 0.00 O ATOM 947 CG2 THR A 63 11.734 1.018 -4.883 1.00 0.00 C ATOM 0 H THR A 63 9.283 3.344 -2.270 1.00 0.00 H new ATOM 0 HA THR A 63 9.132 1.107 -4.221 1.00 0.00 H new ATOM 0 HB THR A 63 11.631 2.592 -3.442 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.550 3.454 -5.628 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.640 1.391 -5.360 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.000 0.279 -4.127 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.093 0.555 -5.634 1.00 0.00 H new ATOM 955 N VAL A 64 10.019 -0.421 -2.376 1.00 0.00 N ATOM 956 CA VAL A 64 10.153 -1.353 -1.268 1.00 0.00 C ATOM 957 C VAL A 64 11.241 -2.354 -1.629 1.00 0.00 C ATOM 958 O VAL A 64 11.330 -2.772 -2.786 1.00 0.00 O ATOM 959 CB VAL A 64 8.829 -2.099 -1.023 1.00 0.00 C ATOM 960 CG1 VAL A 64 8.778 -2.598 0.422 1.00 0.00 C ATOM 961 CG2 VAL A 64 7.562 -1.289 -1.330 1.00 0.00 C ATOM 0 H VAL A 64 9.976 -0.889 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 64 10.410 -0.810 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 64 8.827 -2.928 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.839 -3.126 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.613 -3.275 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.845 -1.749 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.682 -1.899 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.539 -0.398 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.564 -0.994 -2.379 1.00 0.00 H new ATOM 971 N THR A 65 12.024 -2.776 -0.644 1.00 0.00 N ATOM 972 CA THR A 65 13.241 -3.545 -0.855 1.00 0.00 C ATOM 973 C THR A 65 13.346 -4.599 0.254 1.00 0.00 C ATOM 974 O THR A 65 12.425 -4.768 1.063 1.00 0.00 O ATOM 975 CB THR A 65 14.435 -2.566 -0.877 1.00 0.00 C ATOM 976 OG1 THR A 65 14.085 -1.353 -1.508 1.00 0.00 O ATOM 977 CG2 THR A 65 15.676 -3.076 -1.610 1.00 0.00 C ATOM 0 H THR A 65 11.827 -2.590 0.339 1.00 0.00 H new ATOM 0 HA THR A 65 13.235 -4.075 -1.807 1.00 0.00 H new ATOM 0 HB THR A 65 14.677 -2.441 0.178 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.857 -0.750 -1.508 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.459 -2.318 -1.571 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.031 -3.990 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.424 -3.284 -2.650 1.00 0.00 H new ATOM 985 N GLY A 66 14.454 -5.340 0.275 1.00 0.00 N ATOM 986 CA GLY A 66 14.663 -6.471 1.164 1.00 0.00 C ATOM 987 C GLY A 66 13.645 -7.569 0.929 1.00 0.00 C ATOM 988 O GLY A 66 13.320 -8.297 1.864 1.00 0.00 O ATOM 0 H GLY A 66 15.246 -5.162 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.667 -6.869 1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.603 -6.135 2.199 1.00 0.00 H new ATOM 992 N LEU A 67 13.092 -7.654 -0.280 1.00 0.00 N ATOM 993 CA LEU A 67 12.266 -8.757 -0.709 1.00 0.00 C ATOM 994 C LEU A 67 13.194 -9.918 -1.097 1.00 0.00 C ATOM 995 O LEU A 67 14.410 -9.753 -1.256 1.00 0.00 O ATOM 996 CB LEU A 67 11.423 -8.264 -1.893 1.00 0.00 C ATOM 997 CG LEU A 67 10.024 -7.740 -1.532 1.00 0.00 C ATOM 998 CD1 LEU A 67 9.403 -7.085 -2.771 1.00 0.00 C ATOM 999 CD2 LEU A 67 9.115 -8.854 -1.012 1.00 0.00 C ATOM 0 H LEU A 67 13.215 -6.938 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 67 11.592 -9.111 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.970 -7.470 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.314 -9.082 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 67 10.126 -7.008 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.410 -6.710 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.032 -6.258 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.325 -7.821 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.136 -8.441 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.005 -9.621 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.555 -9.295 -0.118 1.00 0.00 H new ATOM 1011 N GLU A 68 12.627 -11.102 -1.239 1.00 0.00 N ATOM 1012 CA GLU A 68 13.212 -12.278 -1.872 1.00 0.00 C ATOM 1013 C GLU A 68 12.140 -12.762 -2.858 1.00 0.00 C ATOM 1014 O GLU A 68 10.974 -12.783 -2.458 1.00 0.00 O ATOM 1015 CB GLU A 68 13.537 -13.338 -0.813 1.00 0.00 C ATOM 1016 CG GLU A 68 15.031 -13.427 -0.475 1.00 0.00 C ATOM 1017 CD GLU A 68 15.872 -14.077 -1.572 1.00 0.00 C ATOM 1018 OE1 GLU A 68 16.055 -15.309 -1.550 1.00 0.00 O ATOM 1019 OE2 GLU A 68 16.434 -13.334 -2.421 1.00 0.00 O ATOM 0 H GLU A 68 11.684 -11.283 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 68 14.151 -12.066 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.979 -13.114 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.194 -14.310 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.412 -12.424 -0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.152 -13.994 0.448 1.00 0.00 H new ATOM 1026 N PRO A 69 12.464 -13.081 -4.123 1.00 0.00 N ATOM 1027 CA PRO A 69 11.489 -13.556 -5.105 1.00 0.00 C ATOM 1028 C PRO A 69 11.184 -15.045 -4.879 1.00 0.00 C ATOM 1029 O PRO A 69 11.920 -15.729 -4.159 1.00 0.00 O ATOM 1030 CB PRO A 69 12.167 -13.316 -6.458 1.00 0.00 C ATOM 1031 CG PRO A 69 13.644 -13.548 -6.145 1.00 0.00 C ATOM 1032 CD PRO A 69 13.799 -13.058 -4.703 1.00 0.00 C ATOM 0 HA PRO A 69 10.530 -13.042 -5.037 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.803 -14.005 -7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.986 -12.307 -6.827 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.911 -14.600 -6.240 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.288 -12.993 -6.827 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.478 -13.702 -4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.218 -12.052 -4.676 1.00 0.00 H new ATOM 1040 N GLY A 70 10.161 -15.580 -5.550 1.00 0.00 N ATOM 1041 CA GLY A 70 9.842 -17.003 -5.522 1.00 0.00 C ATOM 1042 C GLY A 70 8.656 -17.362 -4.627 1.00 0.00 C ATOM 1043 O GLY A 70 8.301 -18.545 -4.555 1.00 0.00 O ATOM 0 H GLY A 70 9.528 -15.031 -6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.630 -17.336 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.719 -17.554 -5.182 1.00 0.00 H new ATOM 1047 N ILE A 71 8.073 -16.410 -3.897 1.00 0.00 N ATOM 1048 CA ILE A 71 6.896 -16.599 -3.058 1.00 0.00 C ATOM 1049 C ILE A 71 5.860 -15.548 -3.477 1.00 0.00 C ATOM 1050 O ILE A 71 6.112 -14.629 -4.256 1.00 0.00 O ATOM 1051 CB ILE A 71 7.317 -16.620 -1.558 1.00 0.00 C ATOM 1052 CG1 ILE A 71 8.150 -17.880 -1.214 1.00 0.00 C ATOM 1053 CG2 ILE A 71 6.157 -16.525 -0.543 1.00 0.00 C ATOM 1054 CD1 ILE A 71 7.342 -19.184 -1.132 1.00 0.00 C ATOM 0 H ILE A 71 8.423 -15.452 -3.875 1.00 0.00 H new ATOM 0 HA ILE A 71 6.411 -17.565 -3.196 1.00 0.00 H new ATOM 0 HB ILE A 71 7.912 -15.712 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.930 -17.999 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.650 -17.718 -0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.558 -16.548 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.614 -15.593 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.480 -17.367 -0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.009 -20.010 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.579 -19.091 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.864 -19.377 -2.092 1.00 0.00 H new ATOM 1066 N ASP A 72 4.622 -15.759 -3.043 1.00 0.00 N ATOM 1067 CA ASP A 72 3.547 -14.805 -3.255 1.00 0.00 C ATOM 1068 C ASP A 72 3.557 -13.778 -2.130 1.00 0.00 C ATOM 1069 O ASP A 72 3.938 -14.104 -1.008 1.00 0.00 O ATOM 1070 CB ASP A 72 2.224 -15.554 -3.340 1.00 0.00 C ATOM 1071 CG ASP A 72 1.078 -14.582 -3.524 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.176 -13.747 -4.454 1.00 0.00 O ATOM 1073 OD2 ASP A 72 0.062 -14.742 -2.821 1.00 0.00 O ATOM 0 H ASP A 72 4.339 -16.597 -2.535 1.00 0.00 H new ATOM 0 HA ASP A 72 3.686 -14.268 -4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.250 -16.257 -4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.071 -16.139 -2.433 1.00 0.00 H new ATOM 1078 N TYR A 73 3.137 -12.546 -2.398 1.00 0.00 N ATOM 1079 CA TYR A 73 3.157 -11.454 -1.435 1.00 0.00 C ATOM 1080 C TYR A 73 1.864 -10.655 -1.550 1.00 0.00 C ATOM 1081 O TYR A 73 1.496 -10.237 -2.649 1.00 0.00 O ATOM 1082 CB TYR A 73 4.388 -10.573 -1.680 1.00 0.00 C ATOM 1083 CG TYR A 73 5.576 -10.883 -0.787 1.00 0.00 C ATOM 1084 CD1 TYR A 73 6.452 -11.950 -1.068 1.00 0.00 C ATOM 1085 CD2 TYR A 73 5.828 -10.054 0.320 1.00 0.00 C ATOM 1086 CE1 TYR A 73 7.581 -12.177 -0.253 1.00 0.00 C ATOM 1087 CE2 TYR A 73 6.965 -10.254 1.116 1.00 0.00 C ATOM 1088 CZ TYR A 73 7.848 -11.322 0.842 1.00 0.00 C ATOM 1089 OH TYR A 73 8.982 -11.447 1.585 1.00 0.00 O ATOM 0 H TYR A 73 2.766 -12.275 -3.309 1.00 0.00 H new ATOM 0 HA TYR A 73 3.224 -11.848 -0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.694 -10.681 -2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.106 -9.530 -1.538 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.258 -12.597 -1.911 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.140 -9.256 0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.242 -13.004 -0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.167 -9.588 1.942 1.00 0.00 H new ATOM 0 HH TYR A 73 9.415 -10.572 1.670 1.00 0.00 H new ATOM 1099 N ASP A 74 1.199 -10.395 -0.419 1.00 0.00 N ATOM 1100 CA ASP A 74 0.139 -9.394 -0.345 1.00 0.00 C ATOM 1101 C ASP A 74 0.765 -8.080 0.098 1.00 0.00 C ATOM 1102 O ASP A 74 1.141 -7.934 1.268 1.00 0.00 O ATOM 1103 CB ASP A 74 -0.981 -9.746 0.645 1.00 0.00 C ATOM 1104 CG ASP A 74 -2.241 -10.386 0.062 1.00 0.00 C ATOM 1105 OD1 ASP A 74 -2.692 -9.980 -1.035 1.00 0.00 O ATOM 1106 OD2 ASP A 74 -2.909 -11.107 0.842 1.00 0.00 O ATOM 0 H ASP A 74 1.382 -10.872 0.464 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.317 -9.337 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.571 -10.424 1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.273 -8.834 1.166 1.00 0.00 H new ATOM 1111 N ILE A 75 0.865 -7.119 -0.812 1.00 0.00 N ATOM 1112 CA ILE A 75 1.407 -5.793 -0.543 1.00 0.00 C ATOM 1113 C ILE A 75 0.192 -4.883 -0.320 1.00 0.00 C ATOM 1114 O ILE A 75 -0.435 -4.438 -1.287 1.00 0.00 O ATOM 1115 CB ILE A 75 2.334 -5.378 -1.718 1.00 0.00 C ATOM 1116 CG1 ILE A 75 3.369 -6.463 -2.120 1.00 0.00 C ATOM 1117 CG2 ILE A 75 2.977 -3.988 -1.543 1.00 0.00 C ATOM 1118 CD1 ILE A 75 3.006 -7.194 -3.418 1.00 0.00 C ATOM 0 H ILE A 75 0.565 -7.243 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 75 2.039 -5.738 0.344 1.00 0.00 H new ATOM 0 HB ILE A 75 1.657 -5.289 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.348 -5.997 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.455 -7.191 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.610 -3.769 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.195 -3.232 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.581 -3.978 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.770 -7.939 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.041 -7.688 -3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.948 -6.476 -4.236 1.00 0.00 H new ATOM 1130 N SER A 76 -0.225 -4.676 0.938 1.00 0.00 N ATOM 1131 CA SER A 76 -1.409 -3.866 1.229 1.00 0.00 C ATOM 1132 C SER A 76 -1.016 -2.446 1.555 1.00 0.00 C ATOM 1133 O SER A 76 0.077 -2.192 2.058 1.00 0.00 O ATOM 1134 CB SER A 76 -2.286 -4.466 2.332 1.00 0.00 C ATOM 1135 OG SER A 76 -1.646 -4.419 3.590 1.00 0.00 O ATOM 0 H SER A 76 0.239 -5.057 1.763 1.00 0.00 H new ATOM 0 HA SER A 76 -2.018 -3.861 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.230 -3.923 2.383 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.526 -5.500 2.084 1.00 0.00 H new ATOM 0 HG SER A 76 -0.709 -4.690 3.491 1.00 0.00 H new ATOM 1141 N VAL A 77 -1.938 -1.528 1.296 1.00 0.00 N ATOM 1142 CA VAL A 77 -1.741 -0.098 1.380 1.00 0.00 C ATOM 1143 C VAL A 77 -3.044 0.472 1.945 1.00 0.00 C ATOM 1144 O VAL A 77 -4.053 0.608 1.235 1.00 0.00 O ATOM 1145 CB VAL A 77 -1.333 0.465 0.003 1.00 0.00 C ATOM 1146 CG1 VAL A 77 -1.000 1.961 0.108 1.00 0.00 C ATOM 1147 CG2 VAL A 77 -0.155 -0.327 -0.612 1.00 0.00 C ATOM 0 H VAL A 77 -2.884 -1.778 1.009 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.921 0.187 2.039 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.184 0.350 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.714 2.340 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.874 2.504 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.174 2.102 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.103 0.099 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.708 -0.269 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.445 -1.370 -0.740 1.00 0.00 H new ATOM 1157 N ILE A 78 -3.051 0.720 3.252 1.00 0.00 N ATOM 1158 CA ILE A 78 -4.167 1.353 3.933 1.00 0.00 C ATOM 1159 C ILE A 78 -3.885 2.848 3.941 1.00 0.00 C ATOM 1160 O ILE A 78 -2.788 3.302 4.264 1.00 0.00 O ATOM 1161 CB ILE A 78 -4.397 0.736 5.325 1.00 0.00 C ATOM 1162 CG1 ILE A 78 -4.900 -0.713 5.119 1.00 0.00 C ATOM 1163 CG2 ILE A 78 -5.417 1.578 6.110 1.00 0.00 C ATOM 1164 CD1 ILE A 78 -5.474 -1.371 6.372 1.00 0.00 C ATOM 0 H ILE A 78 -2.274 0.484 3.869 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.111 1.181 3.416 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.474 0.723 5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.665 -0.711 4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.074 -1.322 4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.574 1.135 7.093 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.038 2.594 6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.362 1.603 5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.801 -2.383 6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.708 -1.410 7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.323 -0.790 6.731 1.00 0.00 H new ATOM 1176 N THR A 79 -4.881 3.599 3.503 1.00 0.00 N ATOM 1177 CA THR A 79 -4.824 5.030 3.314 1.00 0.00 C ATOM 1178 C THR A 79 -5.628 5.679 4.434 1.00 0.00 C ATOM 1179 O THR A 79 -6.785 5.297 4.628 1.00 0.00 O ATOM 1180 CB THR A 79 -5.352 5.275 1.901 1.00 0.00 C ATOM 1181 OG1 THR A 79 -4.511 4.572 1.014 1.00 0.00 O ATOM 1182 CG2 THR A 79 -5.291 6.738 1.515 1.00 0.00 C ATOM 0 H THR A 79 -5.790 3.206 3.260 1.00 0.00 H new ATOM 0 HA THR A 79 -3.829 5.471 3.378 1.00 0.00 H new ATOM 0 HB THR A 79 -6.391 4.950 1.858 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.052 4.158 0.310 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.676 6.864 0.503 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.895 7.323 2.209 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.257 7.082 1.555 1.00 0.00 H new ATOM 1190 N LEU A 80 -5.028 6.602 5.195 1.00 0.00 N ATOM 1191 CA LEU A 80 -5.628 7.144 6.412 1.00 0.00 C ATOM 1192 C LEU A 80 -5.741 8.668 6.349 1.00 0.00 C ATOM 1193 O LEU A 80 -4.906 9.354 5.751 1.00 0.00 O ATOM 1194 CB LEU A 80 -4.845 6.754 7.669 1.00 0.00 C ATOM 1195 CG LEU A 80 -3.310 6.701 7.528 1.00 0.00 C ATOM 1196 CD1 LEU A 80 -2.686 7.331 8.779 1.00 0.00 C ATOM 1197 CD2 LEU A 80 -2.852 5.259 7.302 1.00 0.00 C ATOM 0 H LEU A 80 -4.111 6.993 4.980 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.625 6.708 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.092 7.463 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.192 5.775 7.999 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.979 7.270 6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.599 7.302 8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.016 8.366 8.868 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.998 6.773 9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.767 5.233 7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.154 4.644 8.150 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.308 4.871 6.391 1.00 0.00 H new ATOM 1209 N ILE A 81 -6.766 9.209 7.000 1.00 0.00 N ATOM 1210 CA ILE A 81 -7.041 10.633 7.182 1.00 0.00 C ATOM 1211 C ILE A 81 -7.391 10.850 8.661 1.00 0.00 C ATOM 1212 O ILE A 81 -7.367 9.900 9.447 1.00 0.00 O ATOM 1213 CB ILE A 81 -8.180 11.120 6.240 1.00 0.00 C ATOM 1214 CG1 ILE A 81 -9.515 10.425 6.558 1.00 0.00 C ATOM 1215 CG2 ILE A 81 -7.856 10.902 4.760 1.00 0.00 C ATOM 1216 CD1 ILE A 81 -10.740 11.010 5.840 1.00 0.00 C ATOM 0 H ILE A 81 -7.475 8.626 7.445 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.164 11.224 6.917 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.269 12.191 6.423 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.429 9.370 6.297 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.686 10.474 7.633 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.685 11.260 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.951 11.451 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.701 9.839 4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.631 10.453 6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.860 12.057 6.119 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.600 10.936 4.762 1.00 0.00 H new ATOM 1228 N ASN A 82 -7.744 12.090 9.014 1.00 0.00 N ATOM 1229 CA ASN A 82 -8.400 12.455 10.268 1.00 0.00 C ATOM 1230 C ASN A 82 -9.362 11.356 10.727 1.00 0.00 C ATOM 1231 O ASN A 82 -10.414 11.191 10.104 1.00 0.00 O ATOM 1232 CB ASN A 82 -9.193 13.759 10.085 1.00 0.00 C ATOM 1233 CG ASN A 82 -10.128 13.981 11.270 1.00 0.00 C ATOM 1234 OD1 ASN A 82 -9.683 14.419 12.322 1.00 0.00 O ATOM 1235 ND2 ASN A 82 -11.390 13.618 11.134 1.00 0.00 N ATOM 0 H ASN A 82 -7.573 12.894 8.411 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.625 12.588 11.023 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.506 14.600 9.992 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.770 13.715 9.161 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.032 13.698 11.923 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.723 13.257 10.240 1.00 0.00 H new ATOM 1242 N GLY A 83 -8.991 10.640 11.791 1.00 0.00 N ATOM 1243 CA GLY A 83 -9.765 9.592 12.450 1.00 0.00 C ATOM 1244 C GLY A 83 -10.530 8.711 11.467 1.00 0.00 C ATOM 1245 O GLY A 83 -11.712 8.438 11.684 1.00 0.00 O ATOM 0 H GLY A 83 -8.087 10.787 12.241 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.094 8.969 13.042 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.470 10.050 13.144 1.00 0.00 H new ATOM 1249 N GLY A 84 -9.884 8.322 10.366 1.00 0.00 N ATOM 1250 CA GLY A 84 -10.553 7.721 9.235 1.00 0.00 C ATOM 1251 C GLY A 84 -9.563 6.939 8.381 1.00 0.00 C ATOM 1252 O GLY A 84 -8.355 7.192 8.416 1.00 0.00 O ATOM 0 H GLY A 84 -8.876 8.420 10.244 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.344 7.057 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.029 8.495 8.633 1.00 0.00 H new ATOM 1256 N GLU A 85 -10.074 6.004 7.584 1.00 0.00 N ATOM 1257 CA GLU A 85 -9.319 5.147 6.681 1.00 0.00 C ATOM 1258 C GLU A 85 -10.173 4.872 5.451 1.00 0.00 C ATOM 1259 O GLU A 85 -11.395 5.047 5.483 1.00 0.00 O ATOM 1260 CB GLU A 85 -8.952 3.827 7.371 1.00 0.00 C ATOM 1261 CG GLU A 85 -7.552 3.911 7.982 1.00 0.00 C ATOM 1262 CD GLU A 85 -7.303 2.806 9.007 1.00 0.00 C ATOM 1263 OE1 GLU A 85 -7.703 1.653 8.769 1.00 0.00 O ATOM 1264 OE2 GLU A 85 -6.757 3.153 10.086 1.00 0.00 O ATOM 0 H GLU A 85 -11.076 5.816 7.551 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.394 5.645 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.681 3.602 8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.992 3.010 6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.807 3.844 7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.423 4.883 8.459 1.00 0.00 H new ATOM 1271 N SER A 86 -9.538 4.430 4.370 1.00 0.00 N ATOM 1272 CA SER A 86 -10.225 3.983 3.174 1.00 0.00 C ATOM 1273 C SER A 86 -10.534 2.478 3.285 1.00 0.00 C ATOM 1274 O SER A 86 -10.330 1.874 4.342 1.00 0.00 O ATOM 1275 CB SER A 86 -9.358 4.278 1.960 1.00 0.00 C ATOM 1276 OG SER A 86 -8.714 5.535 2.000 1.00 0.00 O ATOM 0 H SER A 86 -8.522 4.373 4.304 1.00 0.00 H new ATOM 0 HA SER A 86 -11.170 4.515 3.063 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.602 3.498 1.869 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.977 4.228 1.064 1.00 0.00 H new ATOM 0 HG SER A 86 -9.201 6.170 1.435 1.00 0.00 H new ATOM 1282 N ALA A 87 -10.980 1.853 2.189 1.00 0.00 N ATOM 1283 CA ALA A 87 -10.996 0.395 2.097 1.00 0.00 C ATOM 1284 C ALA A 87 -9.551 -0.132 2.090 1.00 0.00 C ATOM 1285 O ALA A 87 -8.666 0.558 1.570 1.00 0.00 O ATOM 1286 CB ALA A 87 -11.691 -0.049 0.803 1.00 0.00 C ATOM 0 H ALA A 87 -11.332 2.333 1.361 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.539 -0.004 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.696 -1.138 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.717 0.319 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.155 0.356 -0.055 1.00 0.00 H new ATOM 1292 N PRO A 88 -9.307 -1.367 2.562 1.00 0.00 N ATOM 1293 CA PRO A 88 -7.986 -1.970 2.523 1.00 0.00 C ATOM 1294 C PRO A 88 -7.653 -2.321 1.071 1.00 0.00 C ATOM 1295 O PRO A 88 -8.203 -3.280 0.517 1.00 0.00 O ATOM 1296 CB PRO A 88 -8.066 -3.199 3.437 1.00 0.00 C ATOM 1297 CG PRO A 88 -9.546 -3.585 3.411 1.00 0.00 C ATOM 1298 CD PRO A 88 -10.251 -2.239 3.251 1.00 0.00 C ATOM 0 HA PRO A 88 -7.190 -1.312 2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.436 -4.010 3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.732 -2.967 4.448 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.772 -4.260 2.585 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.847 -4.091 4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.172 -2.347 2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.527 -1.826 4.221 1.00 0.00 H new ATOM 1306 N THR A 89 -6.803 -1.532 0.414 1.00 0.00 N ATOM 1307 CA THR A 89 -6.335 -1.874 -0.925 1.00 0.00 C ATOM 1308 C THR A 89 -5.109 -2.771 -0.778 1.00 0.00 C ATOM 1309 O THR A 89 -4.262 -2.533 0.085 1.00 0.00 O ATOM 1310 CB THR A 89 -6.090 -0.618 -1.777 1.00 0.00 C ATOM 1311 OG1 THR A 89 -4.988 0.149 -1.338 1.00 0.00 O ATOM 1312 CG2 THR A 89 -7.342 0.249 -1.891 1.00 0.00 C ATOM 0 H THR A 89 -6.428 -0.659 0.785 1.00 0.00 H new ATOM 0 HA THR A 89 -7.099 -2.426 -1.472 1.00 0.00 H new ATOM 0 HB THR A 89 -5.840 -0.988 -2.771 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.920 0.095 -0.362 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.123 1.125 -2.501 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.142 -0.327 -2.356 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.655 0.568 -0.897 1.00 0.00 H new ATOM 1320 N THR A 90 -5.017 -3.792 -1.620 1.00 0.00 N ATOM 1321 CA THR A 90 -3.888 -4.708 -1.705 1.00 0.00 C ATOM 1322 C THR A 90 -3.734 -5.089 -3.185 1.00 0.00 C ATOM 1323 O THR A 90 -4.580 -4.727 -4.015 1.00 0.00 O ATOM 1324 CB THR A 90 -4.146 -5.932 -0.790 1.00 0.00 C ATOM 1325 OG1 THR A 90 -4.668 -5.585 0.484 1.00 0.00 O ATOM 1326 CG2 THR A 90 -2.930 -6.821 -0.521 1.00 0.00 C ATOM 0 H THR A 90 -5.755 -4.013 -2.288 1.00 0.00 H new ATOM 0 HA THR A 90 -2.959 -4.257 -1.357 1.00 0.00 H new ATOM 0 HB THR A 90 -4.874 -6.488 -1.382 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.810 -6.398 1.012 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.220 -7.647 0.129 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.553 -7.217 -1.464 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.150 -6.234 -0.036 1.00 0.00 H new ATOM 1334 N LEU A 91 -2.668 -5.808 -3.527 1.00 0.00 N ATOM 1335 CA LEU A 91 -2.580 -6.654 -4.707 1.00 0.00 C ATOM 1336 C LEU A 91 -1.677 -7.826 -4.305 1.00 0.00 C ATOM 1337 O LEU A 91 -0.653 -7.612 -3.652 1.00 0.00 O ATOM 1338 CB LEU A 91 -2.044 -5.846 -5.909 1.00 0.00 C ATOM 1339 CG LEU A 91 -2.970 -5.827 -7.135 1.00 0.00 C ATOM 1340 CD1 LEU A 91 -2.671 -4.600 -8.008 1.00 0.00 C ATOM 1341 CD2 LEU A 91 -2.754 -7.093 -7.969 1.00 0.00 C ATOM 0 H LEU A 91 -1.814 -5.816 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.549 -7.031 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.867 -4.819 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.080 -6.259 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.002 -5.783 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.334 -4.599 -8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.831 -3.692 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.635 -4.637 -8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.413 -7.074 -8.837 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.717 -7.137 -8.302 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.978 -7.971 -7.363 1.00 0.00 H new ATOM 1353 N THR A 92 -2.085 -9.045 -4.643 1.00 0.00 N ATOM 1354 CA THR A 92 -1.332 -10.285 -4.495 1.00 0.00 C ATOM 1355 C THR A 92 -0.336 -10.353 -5.673 1.00 0.00 C ATOM 1356 O THR A 92 -0.738 -10.490 -6.834 1.00 0.00 O ATOM 1357 CB THR A 92 -2.398 -11.405 -4.468 1.00 0.00 C ATOM 1358 OG1 THR A 92 -2.918 -11.597 -3.162 1.00 0.00 O ATOM 1359 CG2 THR A 92 -1.852 -12.776 -4.815 1.00 0.00 C ATOM 0 H THR A 92 -3.006 -9.203 -5.052 1.00 0.00 H new ATOM 0 HA THR A 92 -0.732 -10.373 -3.589 1.00 0.00 H new ATOM 0 HB THR A 92 -3.135 -11.065 -5.195 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.567 -10.904 -2.565 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.658 -13.509 -4.775 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.429 -12.756 -5.819 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.076 -13.050 -4.100 1.00 0.00 H new ATOM 1367 N GLN A 93 0.952 -10.083 -5.438 1.00 0.00 N ATOM 1368 CA GLN A 93 2.033 -10.269 -6.403 1.00 0.00 C ATOM 1369 C GLN A 93 2.937 -11.460 -6.062 1.00 0.00 C ATOM 1370 O GLN A 93 3.756 -11.340 -5.148 1.00 0.00 O ATOM 1371 CB GLN A 93 2.783 -8.934 -6.599 1.00 0.00 C ATOM 1372 CG GLN A 93 3.453 -8.802 -7.977 1.00 0.00 C ATOM 1373 CD GLN A 93 2.512 -8.450 -9.137 1.00 0.00 C ATOM 1374 OE1 GLN A 93 1.221 -8.754 -9.077 1.00 0.00 O flip ATOM 1375 NE2 GLN A 93 2.950 -7.891 -10.138 1.00 0.00 N flip ATOM 0 H GLN A 93 1.278 -9.718 -4.543 1.00 0.00 H new ATOM 0 HA GLN A 93 1.605 -10.544 -7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.082 -8.110 -6.464 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.543 -8.836 -5.824 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.226 -8.036 -7.914 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.953 -9.742 -8.210 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.940 -7.652 -10.197 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.324 -7.665 -10.911 1.00 0.00 H new ATOM 1384 N GLN A 94 2.875 -12.554 -6.826 1.00 0.00 N ATOM 1385 CA GLN A 94 3.981 -13.511 -6.907 1.00 0.00 C ATOM 1386 C GLN A 94 5.010 -12.915 -7.876 1.00 0.00 C ATOM 1387 O GLN A 94 4.619 -12.211 -8.813 1.00 0.00 O ATOM 1388 CB GLN A 94 3.452 -14.877 -7.384 1.00 0.00 C ATOM 1389 CG GLN A 94 4.219 -16.119 -6.889 1.00 0.00 C ATOM 1390 CD GLN A 94 5.591 -16.329 -7.526 1.00 0.00 C ATOM 1391 OE1 GLN A 94 6.627 -16.138 -6.909 1.00 0.00 O ATOM 1392 NE2 GLN A 94 5.656 -16.760 -8.773 1.00 0.00 N ATOM 0 H GLN A 94 2.068 -12.799 -7.399 1.00 0.00 H new ATOM 0 HA GLN A 94 4.449 -13.681 -5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.412 -14.970 -7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.457 -14.884 -8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.345 -16.043 -5.809 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.609 -17.003 -7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.799 -16.924 -9.301 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.563 -16.929 -9.208 1.00 0.00 H new ATOM 1401 N THR A 95 6.304 -13.172 -7.693 1.00 0.00 N ATOM 1402 CA THR A 95 7.354 -12.624 -8.544 1.00 0.00 C ATOM 1403 C THR A 95 8.403 -13.708 -8.683 1.00 0.00 C ATOM 1404 O THR A 95 8.961 -14.161 -7.669 1.00 0.00 O ATOM 1405 CB THR A 95 7.881 -11.305 -7.955 1.00 0.00 C ATOM 1406 OG1 THR A 95 6.787 -10.409 -7.824 1.00 0.00 O ATOM 1407 CG2 THR A 95 8.947 -10.651 -8.839 1.00 0.00 C ATOM 1408 OXT THR A 95 8.524 -14.247 -9.807 1.00 0.00 O ATOM 0 H THR A 95 6.654 -13.770 -6.945 1.00 0.00 H new ATOM 0 HA THR A 95 6.996 -12.358 -9.539 1.00 0.00 H new ATOM 0 HB THR A 95 8.343 -11.527 -6.993 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.102 -9.561 -7.448 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.284 -9.724 -8.376 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.793 -11.329 -8.951 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.523 -10.434 -9.820 1.00 0.00 H new