USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= -1.25 K(o=-4.1,f=-2.6) USER MOD Set 1.2: A 87 GLN : amide:sc= -2.85 K(o=-4.1,f=-9.1!) USER MOD Set 2.1: A 80 MET CE :methyl 139:sc= -3.78! (180deg=-3.59!) USER MOD Set 2.2: A 84 GLN : amide:sc= -2.76! K(o=-6.5!,f=-3.8) USER MOD Set 3.1: A 55 GLN : amide:sc= -1.27 K(o=-1.7,f=-0.42) USER MOD Set 3.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 69 ASN : amide:sc= -0.447 K(o=-1.7,f=-0.45) USER MOD Set 4.1: A 14 GLN : amide:sc= -0.389 K(o=-0.78,f=-1.5) USER MOD Set 4.2: A 31 SER OG : rot 180:sc= -0.396 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 22 LYS NZ :NH3+ -134:sc= 0.443 (180deg=-0.0212) USER MOD Single : A 23 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.7!) USER MOD Single : A 26 GLN : amide:sc= -0.357 K(o=-0.36,f=-2.2) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 170:sc= -0.584 (180deg=-0.744) USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= -0.078 (180deg=-0.555) USER MOD Single : A 48 SER OG : rot 178:sc= -0.19! USER MOD Single : A 52 ASN : amide:sc= -0.375 K(o=-0.38,f=-3.3!) USER MOD Single : A 53 THR OG1 : rot 42:sc= 0.0729 USER MOD Single : A 57 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.15) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0892 USER MOD Single : A 71 GLN : amide:sc= -1.76! C(o=-1.8!,f=-8.7!) USER MOD Single : A 74 TYR OH : rot -128:sc= -0.735 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 143:sc= 0.05 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.842 K(o=-0.84,f=-3.5!) USER MOD Single : A 89 GLN : amide:sc= -1.24 K(o=-1.2,f=0) USER MOD Single : A 90 MET CE :methyl -145:sc= -0.149 (180deg=-1.27) USER MOD Single : A 91 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.8!) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 154 N GLN A 14 -2.136 -9.942 8.901 1.00 0.00 N ATOM 155 CA GLN A 14 -0.777 -9.505 8.633 1.00 0.00 C ATOM 156 C GLN A 14 -0.469 -9.611 7.138 1.00 0.00 C ATOM 157 O GLN A 14 -0.201 -10.700 6.632 1.00 0.00 O ATOM 158 CB GLN A 14 0.230 -10.308 9.458 1.00 0.00 C ATOM 159 CG GLN A 14 0.116 -9.968 10.946 1.00 0.00 C ATOM 160 CD GLN A 14 1.004 -10.887 11.788 1.00 0.00 C ATOM 161 OE1 GLN A 14 1.190 -12.055 11.491 1.00 0.00 O ATOM 162 NE2 GLN A 14 1.538 -10.295 12.853 1.00 0.00 N ATOM 0 HA GLN A 14 -0.688 -8.460 8.929 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.058 -11.374 9.311 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.241 -10.097 9.110 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.404 -8.929 11.108 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.921 -10.065 11.266 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.340 -9.313 13.043 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.145 -10.824 13.480 1.00 0.00 H new ATOM 171 N VAL A 15 -0.520 -8.467 6.473 1.00 0.00 N ATOM 172 CA VAL A 15 -0.250 -8.418 5.046 1.00 0.00 C ATOM 173 C VAL A 15 1.160 -7.869 4.816 1.00 0.00 C ATOM 174 O VAL A 15 1.629 -7.018 5.569 1.00 0.00 O ATOM 175 CB VAL A 15 -1.332 -7.601 4.337 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.826 -7.067 2.995 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.608 -8.425 4.152 1.00 0.00 C ATOM 0 H VAL A 15 -0.744 -7.566 6.896 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.283 -9.419 4.617 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.573 -6.746 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.615 -6.490 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.041 -6.428 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.543 -7.902 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.361 -7.821 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.387 -9.308 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.986 -8.734 5.127 1.00 0.00 H new ATOM 187 N THR A 16 1.796 -8.380 3.772 1.00 0.00 N ATOM 188 CA THR A 16 3.142 -7.953 3.433 1.00 0.00 C ATOM 189 C THR A 16 3.104 -6.889 2.334 1.00 0.00 C ATOM 190 O THR A 16 2.911 -7.210 1.162 1.00 0.00 O ATOM 191 CB THR A 16 3.951 -9.194 3.050 1.00 0.00 C ATOM 192 OG1 THR A 16 3.838 -10.046 4.187 1.00 0.00 O ATOM 193 CG2 THR A 16 5.450 -8.907 2.946 1.00 0.00 C ATOM 0 H THR A 16 1.403 -9.086 3.150 1.00 0.00 H new ATOM 0 HA THR A 16 3.631 -7.479 4.284 1.00 0.00 H new ATOM 0 HB THR A 16 3.590 -9.583 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.333 -10.876 4.024 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.977 -9.821 2.672 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.623 -8.146 2.185 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.820 -8.549 3.907 1.00 0.00 H new ATOM 201 N LEU A 17 3.289 -5.646 2.751 1.00 0.00 N ATOM 202 CA LEU A 17 3.278 -4.533 1.816 1.00 0.00 C ATOM 203 C LEU A 17 4.679 -4.351 1.230 1.00 0.00 C ATOM 204 O LEU A 17 5.550 -3.758 1.866 1.00 0.00 O ATOM 205 CB LEU A 17 2.723 -3.275 2.487 1.00 0.00 C ATOM 206 CG LEU A 17 1.240 -3.313 2.862 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.801 -1.992 3.497 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.379 -3.681 1.652 1.00 0.00 C ATOM 0 H LEU A 17 3.447 -5.384 3.724 1.00 0.00 H new ATOM 0 HA LEU A 17 2.608 -4.743 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.301 -3.084 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.887 -2.429 1.820 1.00 0.00 H new ATOM 0 HG LEU A 17 1.096 -4.093 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.257 -2.046 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.385 -1.810 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.962 -1.178 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.671 -3.701 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.522 -2.940 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.672 -4.664 1.283 1.00 0.00 H new ATOM 220 N ASN A 18 4.854 -4.871 0.024 1.00 0.00 N ATOM 221 CA ASN A 18 6.135 -4.773 -0.654 1.00 0.00 C ATOM 222 C ASN A 18 6.201 -3.452 -1.423 1.00 0.00 C ATOM 223 O ASN A 18 5.593 -3.316 -2.484 1.00 0.00 O ATOM 224 CB ASN A 18 6.315 -5.914 -1.658 1.00 0.00 C ATOM 225 CG ASN A 18 6.064 -7.271 -0.998 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.761 -7.685 -0.086 1.00 0.00 O ATOM 227 ND2 ASN A 18 5.033 -7.937 -1.507 1.00 0.00 N ATOM 0 H ASN A 18 4.130 -5.361 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 18 6.920 -4.828 0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.628 -5.780 -2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.325 -5.886 -2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.783 -8.853 -1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.491 -7.532 -2.270 1.00 0.00 H new ATOM 234 N VAL A 19 6.942 -2.511 -0.857 1.00 0.00 N ATOM 235 CA VAL A 19 7.095 -1.205 -1.476 1.00 0.00 C ATOM 236 C VAL A 19 8.416 -1.162 -2.246 1.00 0.00 C ATOM 237 O VAL A 19 9.469 -1.484 -1.698 1.00 0.00 O ATOM 238 CB VAL A 19 6.984 -0.108 -0.416 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.203 1.275 -1.033 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.638 -0.178 0.307 1.00 0.00 C ATOM 0 H VAL A 19 7.443 -2.627 0.024 1.00 0.00 H new ATOM 0 HA VAL A 19 6.295 -1.026 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 19 7.769 -0.275 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.119 2.037 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.196 1.321 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.451 1.454 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.585 0.613 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.831 -0.050 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.537 -1.147 0.796 1.00 0.00 H new ATOM 250 N THR A 20 8.318 -0.760 -3.505 1.00 0.00 N ATOM 251 CA THR A 20 9.492 -0.670 -4.356 1.00 0.00 C ATOM 252 C THR A 20 9.684 0.765 -4.850 1.00 0.00 C ATOM 253 O THR A 20 9.012 1.198 -5.785 1.00 0.00 O ATOM 254 CB THR A 20 9.335 -1.687 -5.488 1.00 0.00 C ATOM 255 OG1 THR A 20 9.728 -2.925 -4.900 1.00 0.00 O ATOM 256 CG2 THR A 20 10.348 -1.471 -6.614 1.00 0.00 C ATOM 0 H THR A 20 7.443 -0.493 -3.956 1.00 0.00 H new ATOM 0 HA THR A 20 10.400 -0.914 -3.804 1.00 0.00 H new ATOM 0 HB THR A 20 8.325 -1.626 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.655 -3.641 -5.565 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.193 -2.219 -7.391 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.215 -0.475 -7.037 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.359 -1.565 -6.217 1.00 0.00 H new ATOM 264 N PHE A 21 10.603 1.463 -4.201 1.00 0.00 N ATOM 265 CA PHE A 21 10.892 2.840 -4.563 1.00 0.00 C ATOM 266 C PHE A 21 12.104 2.920 -5.493 1.00 0.00 C ATOM 267 O PHE A 21 13.226 2.625 -5.083 1.00 0.00 O ATOM 268 CB PHE A 21 11.209 3.587 -3.266 1.00 0.00 C ATOM 269 CG PHE A 21 11.550 5.064 -3.466 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.885 5.796 -4.399 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.520 5.647 -2.710 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.202 7.168 -4.585 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.837 7.018 -2.895 1.00 0.00 C ATOM 274 CZ PHE A 21 12.171 7.750 -3.829 1.00 0.00 C ATOM 0 H PHE A 21 11.158 1.101 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 21 10.039 3.274 -5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.353 3.510 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.046 3.095 -2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.115 5.334 -4.999 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.049 5.066 -1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.674 7.749 -5.327 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.607 7.480 -2.295 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.412 8.793 -3.970 1.00 0.00 H new ATOM 284 N LYS A 22 11.838 3.321 -6.727 1.00 0.00 N ATOM 285 CA LYS A 22 12.893 3.443 -7.718 1.00 0.00 C ATOM 286 C LYS A 22 13.543 2.075 -7.938 1.00 0.00 C ATOM 287 O LYS A 22 13.074 1.286 -8.756 1.00 0.00 O ATOM 288 CB LYS A 22 13.884 4.536 -7.313 1.00 0.00 C ATOM 289 CG LYS A 22 13.225 5.917 -7.354 1.00 0.00 C ATOM 290 CD LYS A 22 14.197 7.003 -6.889 1.00 0.00 C ATOM 291 CE LYS A 22 14.730 6.698 -5.487 1.00 0.00 C ATOM 292 NZ LYS A 22 15.259 7.927 -4.855 1.00 0.00 N ATOM 0 H LYS A 22 10.907 3.566 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 22 12.480 3.757 -8.676 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.259 4.338 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.743 4.519 -7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.890 6.134 -8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.340 5.920 -6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.028 7.076 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.694 7.970 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.933 6.280 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.516 5.945 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.182 7.724 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.371 8.668 -5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.596 8.254 -4.123 1.00 0.00 H new ATOM 306 N ASN A 23 14.612 1.837 -7.192 1.00 0.00 N ATOM 307 CA ASN A 23 15.330 0.578 -7.295 1.00 0.00 C ATOM 308 C ASN A 23 15.404 -0.076 -5.914 1.00 0.00 C ATOM 309 O ASN A 23 15.989 -1.147 -5.761 1.00 0.00 O ATOM 310 CB ASN A 23 16.760 0.799 -7.791 1.00 0.00 C ATOM 311 CG ASN A 23 17.580 -0.489 -7.693 1.00 0.00 C ATOM 312 OD1 ASN A 23 18.301 -0.726 -6.738 1.00 0.00 O ATOM 313 ND2 ASN A 23 17.430 -1.306 -8.732 1.00 0.00 N ATOM 0 H ASN A 23 14.998 2.494 -6.514 1.00 0.00 H new ATOM 0 HA ASN A 23 14.797 -0.058 -8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.741 1.144 -8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.236 1.583 -7.202 1.00 0.00 H new ATOM 0 HD21 ASN A 23 17.935 -2.192 -8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.810 -1.047 -9.499 1.00 0.00 H new ATOM 320 N GLU A 24 14.802 0.595 -4.943 1.00 0.00 N ATOM 321 CA GLU A 24 14.792 0.093 -3.580 1.00 0.00 C ATOM 322 C GLU A 24 13.542 -0.754 -3.335 1.00 0.00 C ATOM 323 O GLU A 24 12.521 -0.565 -3.994 1.00 0.00 O ATOM 324 CB GLU A 24 14.883 1.240 -2.572 1.00 0.00 C ATOM 325 CG GLU A 24 14.227 0.857 -1.244 1.00 0.00 C ATOM 326 CD GLU A 24 14.562 1.875 -0.152 1.00 0.00 C ATOM 327 OE1 GLU A 24 14.789 3.048 -0.520 1.00 0.00 O ATOM 328 OE2 GLU A 24 14.585 1.457 1.026 1.00 0.00 O ATOM 0 H GLU A 24 14.317 1.483 -5.074 1.00 0.00 H new ATOM 0 HA GLU A 24 15.669 -0.540 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.928 1.499 -2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.397 2.126 -2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.146 0.798 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.566 -0.133 -0.939 1.00 0.00 H new ATOM 335 N ILE A 25 13.664 -1.671 -2.387 1.00 0.00 N ATOM 336 CA ILE A 25 12.556 -2.548 -2.047 1.00 0.00 C ATOM 337 C ILE A 25 12.390 -2.587 -0.527 1.00 0.00 C ATOM 338 O ILE A 25 13.371 -2.697 0.206 1.00 0.00 O ATOM 339 CB ILE A 25 12.751 -3.928 -2.680 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.607 -3.858 -4.201 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.802 -4.955 -2.060 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.515 -4.882 -4.886 1.00 0.00 C ATOM 0 H ILE A 25 14.513 -1.826 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 25 11.624 -2.162 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 25 13.767 -4.261 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.570 -4.042 -4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.857 -2.855 -4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.961 -5.927 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.997 -5.031 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.771 -4.640 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.393 -4.811 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.554 -4.680 -4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.246 -5.885 -4.556 1.00 0.00 H new ATOM 354 N GLN A 26 11.139 -2.495 -0.098 1.00 0.00 N ATOM 355 CA GLN A 26 10.832 -2.518 1.322 1.00 0.00 C ATOM 356 C GLN A 26 9.590 -3.373 1.582 1.00 0.00 C ATOM 357 O GLN A 26 8.834 -3.674 0.659 1.00 0.00 O ATOM 358 CB GLN A 26 10.646 -1.100 1.866 1.00 0.00 C ATOM 359 CG GLN A 26 11.834 -0.686 2.736 1.00 0.00 C ATOM 360 CD GLN A 26 11.397 -0.443 4.182 1.00 0.00 C ATOM 361 OE1 GLN A 26 10.623 -1.190 4.757 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.935 0.640 4.735 1.00 0.00 N ATOM 0 H GLN A 26 10.327 -2.404 -0.709 1.00 0.00 H new ATOM 0 HA GLN A 26 11.674 -2.966 1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.536 -0.400 1.037 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.727 -1.049 2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.597 -1.464 2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.287 0.220 2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.576 1.222 4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.706 0.888 5.698 1.00 0.00 H new ATOM 371 N SER A 27 9.416 -3.739 2.843 1.00 0.00 N ATOM 372 CA SER A 27 8.279 -4.553 3.237 1.00 0.00 C ATOM 373 C SER A 27 7.735 -4.076 4.585 1.00 0.00 C ATOM 374 O SER A 27 8.497 -3.868 5.527 1.00 0.00 O ATOM 375 CB SER A 27 8.660 -6.033 3.312 1.00 0.00 C ATOM 376 OG SER A 27 7.824 -6.755 4.212 1.00 0.00 O ATOM 0 H SER A 27 10.044 -3.487 3.606 1.00 0.00 H new ATOM 0 HA SER A 27 7.502 -4.444 2.480 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.591 -6.476 2.318 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.699 -6.124 3.630 1.00 0.00 H new ATOM 0 HG SER A 27 8.098 -7.696 4.230 1.00 0.00 H new ATOM 382 N PHE A 28 6.420 -3.917 4.633 1.00 0.00 N ATOM 383 CA PHE A 28 5.766 -3.468 5.850 1.00 0.00 C ATOM 384 C PHE A 28 4.582 -4.372 6.202 1.00 0.00 C ATOM 385 O PHE A 28 3.585 -4.404 5.482 1.00 0.00 O ATOM 386 CB PHE A 28 5.249 -2.053 5.585 1.00 0.00 C ATOM 387 CG PHE A 28 6.327 -1.076 5.110 1.00 0.00 C ATOM 388 CD1 PHE A 28 7.058 -0.376 6.018 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.554 -0.908 3.779 1.00 0.00 C ATOM 390 CE1 PHE A 28 8.058 0.531 5.578 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.554 -0.001 3.339 1.00 0.00 C ATOM 392 CZ PHE A 28 8.285 0.699 4.247 1.00 0.00 C ATOM 0 H PHE A 28 5.791 -4.091 3.849 1.00 0.00 H new ATOM 0 HA PHE A 28 6.470 -3.495 6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.460 -2.100 4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.798 -1.665 6.498 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.878 -0.510 7.074 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.974 -1.464 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.638 1.087 6.299 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.734 0.133 2.283 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.046 1.388 3.912 1.00 0.00 H new ATOM 402 N LEU A 29 4.732 -5.085 7.309 1.00 0.00 N ATOM 403 CA LEU A 29 3.688 -5.987 7.764 1.00 0.00 C ATOM 404 C LEU A 29 2.551 -5.173 8.384 1.00 0.00 C ATOM 405 O LEU A 29 2.794 -4.245 9.154 1.00 0.00 O ATOM 406 CB LEU A 29 4.268 -7.047 8.703 1.00 0.00 C ATOM 407 CG LEU A 29 3.354 -8.230 9.026 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.358 -9.253 7.887 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.729 -8.864 10.366 1.00 0.00 C ATOM 0 H LEU A 29 5.560 -5.056 7.904 1.00 0.00 H new ATOM 0 HA LEU A 29 3.265 -6.536 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.186 -7.433 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.546 -6.562 9.639 1.00 0.00 H new ATOM 0 HG LEU A 29 2.334 -7.857 9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.700 -10.084 8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.005 -8.779 6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.371 -9.625 7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.063 -9.702 10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.758 -9.220 10.325 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.633 -8.122 11.159 1.00 0.00 H new ATOM 421 N VAL A 30 1.332 -5.550 8.024 1.00 0.00 N ATOM 422 CA VAL A 30 0.156 -4.866 8.535 1.00 0.00 C ATOM 423 C VAL A 30 -0.762 -5.881 9.218 1.00 0.00 C ATOM 424 O VAL A 30 -1.606 -6.496 8.568 1.00 0.00 O ATOM 425 CB VAL A 30 -0.535 -4.099 7.406 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.442 -3.000 7.964 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.490 -3.520 6.429 1.00 0.00 C ATOM 0 H VAL A 30 1.134 -6.320 7.385 1.00 0.00 H new ATOM 0 HA VAL A 30 0.439 -4.128 9.285 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.161 -4.803 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.921 -2.470 7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.206 -3.447 8.601 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.847 -2.299 8.549 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.028 -2.980 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.153 -2.837 6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.076 -4.330 5.994 1.00 0.00 H new ATOM 437 N SER A 31 -0.566 -6.025 10.521 1.00 0.00 N ATOM 438 CA SER A 31 -1.367 -6.955 11.299 1.00 0.00 C ATOM 439 C SER A 31 -2.818 -6.476 11.357 1.00 0.00 C ATOM 440 O SER A 31 -3.697 -7.201 11.820 1.00 0.00 O ATOM 441 CB SER A 31 -0.804 -7.117 12.713 1.00 0.00 C ATOM 442 OG SER A 31 -0.950 -8.449 13.197 1.00 0.00 O ATOM 0 H SER A 31 0.135 -5.514 11.057 1.00 0.00 H new ATOM 0 HA SER A 31 -1.333 -7.928 10.809 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.251 -6.844 12.716 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.314 -6.429 13.387 1.00 0.00 H new ATOM 0 HG SER A 31 -0.577 -8.511 14.101 1.00 0.00 H new ATOM 448 N ASP A 32 -3.024 -5.257 10.881 1.00 0.00 N ATOM 449 CA ASP A 32 -4.354 -4.672 10.872 1.00 0.00 C ATOM 450 C ASP A 32 -4.524 -3.819 9.614 1.00 0.00 C ATOM 451 O ASP A 32 -4.536 -2.591 9.688 1.00 0.00 O ATOM 452 CB ASP A 32 -4.566 -3.767 12.088 1.00 0.00 C ATOM 453 CG ASP A 32 -3.669 -2.529 12.137 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.655 -2.533 11.405 1.00 0.00 O ATOM 455 OD2 ASP A 32 -4.017 -1.606 12.904 1.00 0.00 O ATOM 0 H ASP A 32 -2.292 -4.658 10.499 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.079 -5.485 10.896 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.607 -3.444 12.104 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.400 -4.353 12.992 1.00 0.00 H new ATOM 460 N PRO A 33 -4.654 -4.521 8.456 1.00 0.00 N ATOM 461 CA PRO A 33 -4.823 -3.842 7.183 1.00 0.00 C ATOM 462 C PRO A 33 -6.240 -3.282 7.043 1.00 0.00 C ATOM 463 O PRO A 33 -6.473 -2.363 6.260 1.00 0.00 O ATOM 464 CB PRO A 33 -4.491 -4.889 6.132 1.00 0.00 C ATOM 465 CG PRO A 33 -4.602 -6.233 6.833 1.00 0.00 C ATOM 466 CD PRO A 33 -4.645 -5.976 8.330 1.00 0.00 C ATOM 0 HA PRO A 33 -4.173 -2.973 7.080 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.181 -4.830 5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.488 -4.738 5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.501 -6.759 6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.753 -6.867 6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.533 -6.418 8.782 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.781 -6.412 8.832 1.00 0.00 H new ATOM 474 N GLU A 34 -7.148 -3.860 7.815 1.00 0.00 N ATOM 475 CA GLU A 34 -8.536 -3.430 7.787 1.00 0.00 C ATOM 476 C GLU A 34 -8.779 -2.350 8.844 1.00 0.00 C ATOM 477 O GLU A 34 -9.554 -1.422 8.620 1.00 0.00 O ATOM 478 CB GLU A 34 -9.482 -4.616 7.989 1.00 0.00 C ATOM 479 CG GLU A 34 -9.465 -5.543 6.772 1.00 0.00 C ATOM 480 CD GLU A 34 -10.880 -6.002 6.413 1.00 0.00 C ATOM 481 OE1 GLU A 34 -11.583 -5.207 5.752 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.227 -7.136 6.808 1.00 0.00 O ATOM 0 H GLU A 34 -6.950 -4.622 8.464 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.744 -3.004 6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.188 -5.173 8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.495 -4.253 8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.020 -5.025 5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.839 -6.411 6.980 1.00 0.00 H new ATOM 489 N ASN A 35 -8.101 -2.507 9.971 1.00 0.00 N ATOM 490 CA ASN A 35 -8.233 -1.557 11.062 1.00 0.00 C ATOM 491 C ASN A 35 -7.494 -0.267 10.702 1.00 0.00 C ATOM 492 O ASN A 35 -8.083 0.813 10.706 1.00 0.00 O ATOM 493 CB ASN A 35 -7.620 -2.109 12.351 1.00 0.00 C ATOM 494 CG ASN A 35 -8.437 -1.685 13.572 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.183 -0.670 14.200 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.430 -2.517 13.874 1.00 0.00 N ATOM 0 H ASN A 35 -7.458 -3.278 10.152 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.295 -1.370 11.219 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.574 -3.197 12.299 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.595 -1.752 12.453 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.033 -2.322 14.673 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.588 -3.350 13.306 1.00 0.00 H new ATOM 503 N THR A 36 -6.214 -0.421 10.397 1.00 0.00 N ATOM 504 CA THR A 36 -5.388 0.718 10.035 1.00 0.00 C ATOM 505 C THR A 36 -6.007 1.473 8.857 1.00 0.00 C ATOM 506 O THR A 36 -6.861 0.937 8.151 1.00 0.00 O ATOM 507 CB THR A 36 -3.974 0.206 9.752 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.140 1.336 9.995 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.751 -0.110 8.272 1.00 0.00 C ATOM 0 H THR A 36 -5.728 -1.318 10.393 1.00 0.00 H new ATOM 0 HA THR A 36 -5.331 1.440 10.850 1.00 0.00 H new ATOM 0 HB THR A 36 -3.786 -0.688 10.346 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.204 1.092 9.837 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.732 -0.469 8.126 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.456 -0.878 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.906 0.792 7.680 1.00 0.00 H new ATOM 517 N THR A 37 -5.554 2.705 8.681 1.00 0.00 N ATOM 518 CA THR A 37 -6.053 3.539 7.601 1.00 0.00 C ATOM 519 C THR A 37 -4.976 3.727 6.531 1.00 0.00 C ATOM 520 O THR A 37 -3.784 3.680 6.830 1.00 0.00 O ATOM 521 CB THR A 37 -6.543 4.855 8.208 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.390 5.392 8.849 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.539 4.639 9.349 1.00 0.00 C ATOM 0 H THR A 37 -4.846 3.146 9.268 1.00 0.00 H new ATOM 0 HA THR A 37 -6.893 3.066 7.092 1.00 0.00 H new ATOM 0 HB THR A 37 -7.008 5.462 7.431 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.618 6.248 9.268 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.855 5.605 9.744 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.408 4.098 8.976 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.064 4.060 10.142 1.00 0.00 H new ATOM 531 N TRP A 38 -5.435 3.936 5.305 1.00 0.00 N ATOM 532 CA TRP A 38 -4.526 4.132 4.189 1.00 0.00 C ATOM 533 C TRP A 38 -3.613 5.313 4.524 1.00 0.00 C ATOM 534 O TRP A 38 -2.420 5.285 4.224 1.00 0.00 O ATOM 535 CB TRP A 38 -5.296 4.324 2.881 1.00 0.00 C ATOM 536 CG TRP A 38 -4.450 4.887 1.738 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.642 6.021 1.051 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.263 4.292 1.172 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.670 6.200 0.088 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.805 5.115 0.164 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.599 3.097 1.501 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.664 4.833 -0.597 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.461 2.829 0.731 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.986 3.648 -0.287 1.00 0.00 C ATOM 0 H TRP A 38 -6.425 3.974 5.061 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.908 3.247 4.035 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.713 3.365 2.573 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.137 4.994 3.061 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.455 6.709 1.229 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.599 6.984 -0.560 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.940 2.438 2.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.325 5.494 -1.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.914 1.922 0.943 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.098 3.371 -0.836 1.00 0.00 H new ATOM 555 N ALA A 39 -4.208 6.324 5.141 1.00 0.00 N ATOM 556 CA ALA A 39 -3.464 7.512 5.520 1.00 0.00 C ATOM 557 C ALA A 39 -2.273 7.107 6.391 1.00 0.00 C ATOM 558 O ALA A 39 -1.182 7.659 6.253 1.00 0.00 O ATOM 559 CB ALA A 39 -4.397 8.495 6.229 1.00 0.00 C ATOM 0 H ALA A 39 -5.198 6.344 5.388 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.070 8.016 4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.838 9.387 6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.209 8.774 5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.810 8.025 7.122 1.00 0.00 H new ATOM 565 N ASP A 40 -2.522 6.147 7.269 1.00 0.00 N ATOM 566 CA ASP A 40 -1.484 5.661 8.162 1.00 0.00 C ATOM 567 C ASP A 40 -0.375 5.004 7.339 1.00 0.00 C ATOM 568 O ASP A 40 0.800 5.096 7.689 1.00 0.00 O ATOM 569 CB ASP A 40 -2.037 4.615 9.132 1.00 0.00 C ATOM 570 CG ASP A 40 -2.136 5.071 10.588 1.00 0.00 C ATOM 571 OD1 ASP A 40 -2.811 6.098 10.817 1.00 0.00 O ATOM 572 OD2 ASP A 40 -1.533 4.383 11.441 1.00 0.00 O ATOM 0 H ASP A 40 -3.428 5.692 7.381 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.101 6.510 8.728 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.029 4.315 8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.404 3.729 9.087 1.00 0.00 H new ATOM 577 N ILE A 41 -0.788 4.355 6.260 1.00 0.00 N ATOM 578 CA ILE A 41 0.155 3.682 5.384 1.00 0.00 C ATOM 579 C ILE A 41 0.983 4.728 4.634 1.00 0.00 C ATOM 580 O ILE A 41 2.208 4.754 4.748 1.00 0.00 O ATOM 581 CB ILE A 41 -0.573 2.700 4.464 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.496 1.780 5.266 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.420 1.911 3.608 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.688 0.798 6.116 1.00 0.00 C ATOM 0 H ILE A 41 -1.764 4.281 5.973 1.00 0.00 H new ATOM 0 HA ILE A 41 0.852 3.079 5.967 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.202 3.272 3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.141 2.378 5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.146 1.229 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.124 1.220 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.999 2.601 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.093 1.349 4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.368 0.156 6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.062 0.185 5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.057 1.352 6.811 1.00 0.00 H new ATOM 596 N GLU A 42 0.281 5.564 3.883 1.00 0.00 N ATOM 597 CA GLU A 42 0.936 6.609 3.115 1.00 0.00 C ATOM 598 C GLU A 42 2.106 7.197 3.907 1.00 0.00 C ATOM 599 O GLU A 42 3.262 7.057 3.510 1.00 0.00 O ATOM 600 CB GLU A 42 -0.059 7.700 2.714 1.00 0.00 C ATOM 601 CG GLU A 42 0.594 8.721 1.780 1.00 0.00 C ATOM 602 CD GLU A 42 0.345 10.150 2.268 1.00 0.00 C ATOM 603 OE1 GLU A 42 0.458 10.357 3.496 1.00 0.00 O ATOM 604 OE2 GLU A 42 0.048 11.001 1.403 1.00 0.00 O ATOM 0 H GLU A 42 -0.734 5.539 3.790 1.00 0.00 H new ATOM 0 HA GLU A 42 1.329 6.167 2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.920 7.249 2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.431 8.204 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.666 8.534 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.197 8.603 0.772 1.00 0.00 H new ATOM 611 N ALA A 43 1.765 7.842 5.013 1.00 0.00 N ATOM 612 CA ALA A 43 2.772 8.452 5.864 1.00 0.00 C ATOM 613 C ALA A 43 3.877 7.433 6.149 1.00 0.00 C ATOM 614 O ALA A 43 5.046 7.679 5.854 1.00 0.00 O ATOM 615 CB ALA A 43 2.114 8.971 7.144 1.00 0.00 C ATOM 0 H ALA A 43 0.805 7.955 5.339 1.00 0.00 H new ATOM 0 HA ALA A 43 3.230 9.305 5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.870 9.429 7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.357 9.713 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.645 8.142 7.674 1.00 0.00 H new ATOM 621 N MET A 44 3.469 6.309 6.720 1.00 0.00 N ATOM 622 CA MET A 44 4.410 5.251 7.049 1.00 0.00 C ATOM 623 C MET A 44 5.490 5.125 5.973 1.00 0.00 C ATOM 624 O MET A 44 6.667 5.364 6.239 1.00 0.00 O ATOM 625 CB MET A 44 3.661 3.924 7.179 1.00 0.00 C ATOM 626 CG MET A 44 4.522 2.875 7.885 1.00 0.00 C ATOM 627 SD MET A 44 3.496 1.540 8.476 1.00 0.00 S ATOM 628 CE MET A 44 2.915 0.884 6.921 1.00 0.00 C ATOM 0 H MET A 44 2.499 6.108 6.963 1.00 0.00 H new ATOM 0 HA MET A 44 4.892 5.500 7.994 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.737 4.077 7.737 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.380 3.563 6.190 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.275 2.489 7.198 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.055 3.332 8.719 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.404 -0.063 7.094 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.223 1.591 6.463 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.762 0.723 6.255 1.00 0.00 H new ATOM 638 N VAL A 45 5.052 4.750 4.780 1.00 0.00 N ATOM 639 CA VAL A 45 5.966 4.589 3.663 1.00 0.00 C ATOM 640 C VAL A 45 6.731 5.896 3.443 1.00 0.00 C ATOM 641 O VAL A 45 7.961 5.901 3.403 1.00 0.00 O ATOM 642 CB VAL A 45 5.200 4.129 2.421 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.080 4.210 1.172 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.647 2.715 2.611 1.00 0.00 C ATOM 0 H VAL A 45 4.075 4.553 4.563 1.00 0.00 H new ATOM 0 HA VAL A 45 6.701 3.814 3.880 1.00 0.00 H new ATOM 0 HB VAL A 45 4.355 4.803 2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.511 3.877 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.403 5.240 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.953 3.570 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.107 2.412 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.470 2.023 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.969 2.701 3.465 1.00 0.00 H new ATOM 654 N LYS A 46 5.972 6.973 3.306 1.00 0.00 N ATOM 655 CA LYS A 46 6.563 8.283 3.092 1.00 0.00 C ATOM 656 C LYS A 46 7.752 8.462 4.037 1.00 0.00 C ATOM 657 O LYS A 46 8.898 8.522 3.595 1.00 0.00 O ATOM 658 CB LYS A 46 5.501 9.377 3.223 1.00 0.00 C ATOM 659 CG LYS A 46 4.516 9.330 2.054 1.00 0.00 C ATOM 660 CD LYS A 46 3.371 10.323 2.260 1.00 0.00 C ATOM 661 CE LYS A 46 3.903 11.689 2.699 1.00 0.00 C ATOM 662 NZ LYS A 46 3.806 11.835 4.169 1.00 0.00 N ATOM 0 H LYS A 46 4.953 6.965 3.339 1.00 0.00 H new ATOM 0 HA LYS A 46 6.949 8.366 2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.962 9.254 4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.983 10.354 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.038 9.559 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.114 8.322 1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.806 10.429 1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.682 9.938 3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.941 11.800 2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.335 12.481 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.721 12.842 4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.969 11.323 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.660 11.442 4.614 1.00 0.00 H new ATOM 676 N VAL A 47 7.438 8.543 5.322 1.00 0.00 N ATOM 677 CA VAL A 47 8.467 8.715 6.334 1.00 0.00 C ATOM 678 C VAL A 47 9.473 7.567 6.231 1.00 0.00 C ATOM 679 O VAL A 47 10.682 7.796 6.218 1.00 0.00 O ATOM 680 CB VAL A 47 7.826 8.826 7.719 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.767 9.930 7.746 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.232 7.485 8.157 1.00 0.00 C ATOM 0 H VAL A 47 6.486 8.493 5.685 1.00 0.00 H new ATOM 0 HA VAL A 47 9.014 9.643 6.169 1.00 0.00 H new ATOM 0 HB VAL A 47 8.608 9.094 8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.327 9.988 8.742 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.230 10.885 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.988 9.705 7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.783 7.591 9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.469 7.174 7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.020 6.733 8.196 1.00 0.00 H new ATOM 692 N SER A 48 8.938 6.357 6.162 1.00 0.00 N ATOM 693 CA SER A 48 9.774 5.173 6.061 1.00 0.00 C ATOM 694 C SER A 48 10.926 5.428 5.086 1.00 0.00 C ATOM 695 O SER A 48 12.063 5.038 5.348 1.00 0.00 O ATOM 696 CB SER A 48 8.958 3.959 5.612 1.00 0.00 C ATOM 697 OG SER A 48 9.765 2.791 5.485 1.00 0.00 O ATOM 0 H SER A 48 7.935 6.171 6.174 1.00 0.00 H new ATOM 0 HA SER A 48 10.182 4.957 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.160 3.772 6.331 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.481 4.176 4.656 1.00 0.00 H new ATOM 0 HG SER A 48 9.202 2.031 5.229 1.00 0.00 H new ATOM 703 N PHE A 49 10.592 6.081 3.983 1.00 0.00 N ATOM 704 CA PHE A 49 11.585 6.392 2.968 1.00 0.00 C ATOM 705 C PHE A 49 12.101 7.823 3.127 1.00 0.00 C ATOM 706 O PHE A 49 13.162 8.166 2.606 1.00 0.00 O ATOM 707 CB PHE A 49 10.893 6.260 1.610 1.00 0.00 C ATOM 708 CG PHE A 49 10.789 4.821 1.102 1.00 0.00 C ATOM 709 CD1 PHE A 49 9.744 4.038 1.484 1.00 0.00 C ATOM 710 CD2 PHE A 49 11.741 4.324 0.267 1.00 0.00 C ATOM 711 CE1 PHE A 49 9.648 2.702 1.012 1.00 0.00 C ATOM 712 CE2 PHE A 49 11.644 2.988 -0.205 1.00 0.00 C ATOM 713 CZ PHE A 49 10.600 2.205 0.178 1.00 0.00 C ATOM 0 H PHE A 49 9.648 6.403 3.769 1.00 0.00 H new ATOM 0 HA PHE A 49 12.435 5.715 3.059 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.891 6.682 1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.438 6.855 0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.987 4.432 2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.570 4.945 -0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.819 2.081 1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.400 2.594 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.527 1.189 -0.180 1.00 0.00 H new ATOM 723 N ASP A 50 11.328 8.620 3.849 1.00 0.00 N ATOM 724 CA ASP A 50 11.694 10.007 4.084 1.00 0.00 C ATOM 725 C ASP A 50 11.275 10.851 2.879 1.00 0.00 C ATOM 726 O ASP A 50 12.095 11.563 2.300 1.00 0.00 O ATOM 727 CB ASP A 50 13.206 10.155 4.262 1.00 0.00 C ATOM 728 CG ASP A 50 13.647 11.384 5.059 1.00 0.00 C ATOM 729 OD1 ASP A 50 13.749 11.250 6.298 1.00 0.00 O ATOM 730 OD2 ASP A 50 13.871 12.430 4.413 1.00 0.00 O ATOM 0 H ASP A 50 10.449 8.332 4.279 1.00 0.00 H new ATOM 0 HA ASP A 50 11.190 10.340 4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.587 9.263 4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.670 10.194 3.277 1.00 0.00 H new ATOM 735 N LEU A 51 10.000 10.744 2.536 1.00 0.00 N ATOM 736 CA LEU A 51 9.462 11.489 1.410 1.00 0.00 C ATOM 737 C LEU A 51 8.316 12.379 1.894 1.00 0.00 C ATOM 738 O LEU A 51 7.665 12.072 2.891 1.00 0.00 O ATOM 739 CB LEU A 51 9.066 10.538 0.279 1.00 0.00 C ATOM 740 CG LEU A 51 10.138 9.539 -0.164 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.541 8.462 -1.073 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.317 10.256 -0.823 1.00 0.00 C ATOM 0 H LEU A 51 9.323 10.152 3.018 1.00 0.00 H new ATOM 0 HA LEU A 51 10.223 12.148 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.184 9.979 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.774 11.135 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 51 10.523 9.035 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.323 7.765 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.762 7.923 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.112 8.930 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.064 9.523 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.967 10.803 -1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.762 10.953 -0.113 1.00 0.00 H new ATOM 754 N ASN A 52 8.105 13.465 1.165 1.00 0.00 N ATOM 755 CA ASN A 52 7.049 14.403 1.507 1.00 0.00 C ATOM 756 C ASN A 52 5.798 14.077 0.688 1.00 0.00 C ATOM 757 O ASN A 52 4.698 14.003 1.232 1.00 0.00 O ATOM 758 CB ASN A 52 7.463 15.840 1.186 1.00 0.00 C ATOM 759 CG ASN A 52 7.474 16.703 2.450 1.00 0.00 C ATOM 760 OD1 ASN A 52 7.171 16.253 3.542 1.00 0.00 O ATOM 761 ND2 ASN A 52 7.840 17.964 2.240 1.00 0.00 N ATOM 0 H ASN A 52 8.647 13.716 0.339 1.00 0.00 H new ATOM 0 HA ASN A 52 6.853 14.315 2.576 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.453 15.844 0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.775 16.266 0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.880 18.620 3.020 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.081 18.275 1.299 1.00 0.00 H new ATOM 768 N THR A 53 6.010 13.892 -0.607 1.00 0.00 N ATOM 769 CA THR A 53 4.913 13.576 -1.506 1.00 0.00 C ATOM 770 C THR A 53 5.230 12.313 -2.310 1.00 0.00 C ATOM 771 O THR A 53 6.227 12.264 -3.028 1.00 0.00 O ATOM 772 CB THR A 53 4.651 14.803 -2.381 1.00 0.00 C ATOM 773 OG1 THR A 53 5.953 15.266 -2.729 1.00 0.00 O ATOM 774 CG2 THR A 53 4.040 15.964 -1.594 1.00 0.00 C ATOM 0 H THR A 53 6.924 13.955 -1.055 1.00 0.00 H new ATOM 0 HA THR A 53 4.000 13.352 -0.954 1.00 0.00 H new ATOM 0 HB THR A 53 3.985 14.529 -3.199 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.524 14.501 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.874 16.809 -2.262 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.089 15.651 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.721 16.261 -0.796 1.00 0.00 H new ATOM 782 N ILE A 54 4.362 11.323 -2.162 1.00 0.00 N ATOM 783 CA ILE A 54 4.536 10.063 -2.865 1.00 0.00 C ATOM 784 C ILE A 54 3.199 9.632 -3.469 1.00 0.00 C ATOM 785 O ILE A 54 2.148 10.147 -3.091 1.00 0.00 O ATOM 786 CB ILE A 54 5.160 9.015 -1.940 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.102 8.389 -1.029 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.323 9.610 -1.143 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.718 7.317 -0.129 1.00 0.00 C ATOM 0 H ILE A 54 3.536 11.368 -1.565 1.00 0.00 H new ATOM 0 HA ILE A 54 5.236 10.182 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 54 5.569 8.215 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.641 9.163 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.310 7.949 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.748 8.845 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.089 9.970 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.961 10.440 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.944 6.888 0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.156 6.532 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.493 7.765 0.493 1.00 0.00 H new ATOM 801 N GLN A 55 3.282 8.692 -4.399 1.00 0.00 N ATOM 802 CA GLN A 55 2.091 8.186 -5.060 1.00 0.00 C ATOM 803 C GLN A 55 2.160 6.662 -5.184 1.00 0.00 C ATOM 804 O GLN A 55 2.172 6.126 -6.291 1.00 0.00 O ATOM 805 CB GLN A 55 1.904 8.840 -6.430 1.00 0.00 C ATOM 806 CG GLN A 55 0.421 8.942 -6.792 1.00 0.00 C ATOM 807 CD GLN A 55 -0.324 9.839 -5.801 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.244 11.055 -5.844 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.051 9.172 -4.909 1.00 0.00 N ATOM 0 H GLN A 55 4.156 8.267 -4.710 1.00 0.00 H new ATOM 0 HA GLN A 55 1.224 8.443 -4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.350 9.835 -6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.428 8.259 -7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.316 9.342 -7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.026 7.948 -6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.074 8.152 -4.929 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.586 9.680 -4.205 1.00 0.00 H new ATOM 818 N ILE A 56 2.203 6.008 -4.033 1.00 0.00 N ATOM 819 CA ILE A 56 2.270 4.557 -3.999 1.00 0.00 C ATOM 820 C ILE A 56 1.377 3.983 -5.101 1.00 0.00 C ATOM 821 O ILE A 56 0.423 4.629 -5.531 1.00 0.00 O ATOM 822 CB ILE A 56 1.931 4.037 -2.600 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.947 4.533 -1.570 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.809 2.512 -2.596 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.263 4.872 -0.244 1.00 0.00 C ATOM 0 H ILE A 56 2.193 6.456 -3.117 1.00 0.00 H new ATOM 0 HA ILE A 56 3.286 4.218 -4.202 1.00 0.00 H new ATOM 0 HB ILE A 56 0.959 4.438 -2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.707 3.769 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.459 5.415 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.568 2.169 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.018 2.208 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.754 2.071 -2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.008 5.222 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.521 5.654 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.772 3.982 0.150 1.00 0.00 H new ATOM 837 N LYS A 57 1.719 2.776 -5.527 1.00 0.00 N ATOM 838 CA LYS A 57 0.960 2.108 -6.571 1.00 0.00 C ATOM 839 C LYS A 57 1.102 0.593 -6.408 1.00 0.00 C ATOM 840 O LYS A 57 2.210 0.062 -6.450 1.00 0.00 O ATOM 841 CB LYS A 57 1.380 2.621 -7.950 1.00 0.00 C ATOM 842 CG LYS A 57 0.794 4.008 -8.221 1.00 0.00 C ATOM 843 CD LYS A 57 0.487 4.191 -9.709 1.00 0.00 C ATOM 844 CE LYS A 57 0.316 5.672 -10.054 1.00 0.00 C ATOM 845 NZ LYS A 57 -0.827 5.861 -10.974 1.00 0.00 N ATOM 0 H LYS A 57 2.511 2.243 -5.168 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.101 2.341 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.467 2.664 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.045 1.924 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.118 4.142 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.497 4.774 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.294 3.765 -10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.421 3.646 -9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.156 6.248 -9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.228 6.052 -10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.068 6.871 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.570 5.518 -11.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.647 5.327 -10.623 1.00 0.00 H new ATOM 859 N TYR A 58 -0.037 -0.059 -6.226 1.00 0.00 N ATOM 860 CA TYR A 58 -0.054 -1.502 -6.057 1.00 0.00 C ATOM 861 C TYR A 58 -0.609 -2.194 -7.304 1.00 0.00 C ATOM 862 O TYR A 58 -1.485 -1.655 -7.979 1.00 0.00 O ATOM 863 CB TYR A 58 -0.989 -1.778 -4.878 1.00 0.00 C ATOM 864 CG TYR A 58 -2.469 -1.840 -5.259 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.996 -2.999 -5.792 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.278 -0.738 -5.069 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.390 -3.057 -6.150 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.671 -0.796 -5.427 1.00 0.00 C ATOM 869 CZ TYR A 58 -5.159 -1.953 -5.950 1.00 0.00 C ATOM 870 OH TYR A 58 -6.475 -2.009 -6.289 1.00 0.00 O ATOM 0 H TYR A 58 -0.954 0.385 -6.192 1.00 0.00 H new ATOM 0 HA TYR A 58 0.954 -1.880 -5.889 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.704 -2.723 -4.415 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.850 -1.000 -4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.364 -3.862 -5.941 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.866 0.169 -4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.815 -3.957 -6.568 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.314 0.060 -5.284 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.901 -1.149 -6.090 1.00 0.00 H new ATOM 880 N LEU A 59 -0.075 -3.376 -7.573 1.00 0.00 N ATOM 881 CA LEU A 59 -0.505 -4.147 -8.727 1.00 0.00 C ATOM 882 C LEU A 59 -1.827 -4.846 -8.404 1.00 0.00 C ATOM 883 O LEU A 59 -1.937 -5.537 -7.392 1.00 0.00 O ATOM 884 CB LEU A 59 0.602 -5.103 -9.176 1.00 0.00 C ATOM 885 CG LEU A 59 1.833 -4.452 -9.810 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.439 -5.356 -10.885 1.00 0.00 C ATOM 887 CD2 LEU A 59 1.500 -3.061 -10.353 1.00 0.00 C ATOM 0 H LEU A 59 0.652 -3.819 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.690 -3.490 -9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.926 -5.683 -8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.178 -5.807 -9.892 1.00 0.00 H new ATOM 0 HG LEU A 59 2.588 -4.323 -9.034 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.312 -4.870 -11.320 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.737 -6.304 -10.437 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.700 -5.539 -11.665 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.392 -2.621 -10.798 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.720 -3.143 -11.110 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.150 -2.427 -9.539 1.00 0.00 H new ATOM 899 N ASP A 60 -2.798 -4.642 -9.282 1.00 0.00 N ATOM 900 CA ASP A 60 -4.108 -5.244 -9.103 1.00 0.00 C ATOM 901 C ASP A 60 -4.085 -6.675 -9.642 1.00 0.00 C ATOM 902 O ASP A 60 -3.036 -7.317 -9.664 1.00 0.00 O ATOM 903 CB ASP A 60 -5.181 -4.467 -9.869 1.00 0.00 C ATOM 904 CG ASP A 60 -5.086 -4.566 -11.393 1.00 0.00 C ATOM 905 OD1 ASP A 60 -3.948 -4.455 -11.899 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.153 -4.749 -12.017 1.00 0.00 O ATOM 0 H ASP A 60 -2.704 -4.068 -10.120 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.343 -5.229 -8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.161 -4.827 -9.557 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.121 -3.417 -9.584 1.00 0.00 H new ATOM 911 N GLU A 61 -5.254 -7.134 -10.064 1.00 0.00 N ATOM 912 CA GLU A 61 -5.381 -8.477 -10.602 1.00 0.00 C ATOM 913 C GLU A 61 -5.039 -8.487 -12.093 1.00 0.00 C ATOM 914 O GLU A 61 -5.340 -9.450 -12.797 1.00 0.00 O ATOM 915 CB GLU A 61 -6.785 -9.035 -10.358 1.00 0.00 C ATOM 916 CG GLU A 61 -6.923 -9.568 -8.931 1.00 0.00 C ATOM 917 CD GLU A 61 -7.776 -10.837 -8.899 1.00 0.00 C ATOM 918 OE1 GLU A 61 -7.209 -11.910 -9.201 1.00 0.00 O ATOM 919 OE2 GLU A 61 -8.976 -10.707 -8.574 1.00 0.00 O ATOM 0 H GLU A 61 -6.122 -6.599 -10.044 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.673 -9.123 -10.083 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.526 -8.254 -10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.991 -9.834 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.935 -9.779 -8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.375 -8.806 -8.297 1.00 0.00 H new ATOM 926 N GLU A 62 -4.415 -7.403 -12.531 1.00 0.00 N ATOM 927 CA GLU A 62 -4.029 -7.275 -13.926 1.00 0.00 C ATOM 928 C GLU A 62 -2.538 -6.948 -14.036 1.00 0.00 C ATOM 929 O GLU A 62 -2.009 -6.810 -15.138 1.00 0.00 O ATOM 930 CB GLU A 62 -4.875 -6.215 -14.634 1.00 0.00 C ATOM 931 CG GLU A 62 -6.303 -6.716 -14.862 1.00 0.00 C ATOM 932 CD GLU A 62 -6.737 -6.493 -16.312 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.085 -5.335 -16.628 1.00 0.00 O ATOM 934 OE2 GLU A 62 -6.712 -7.486 -17.071 1.00 0.00 O ATOM 0 H GLU A 62 -4.167 -6.606 -11.945 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.210 -8.229 -14.422 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.897 -5.303 -14.037 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.418 -5.959 -15.590 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.363 -7.777 -14.620 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.986 -6.196 -14.190 1.00 0.00 H new ATOM 941 N ASN A 63 -1.903 -6.835 -12.879 1.00 0.00 N ATOM 942 CA ASN A 63 -0.483 -6.528 -12.831 1.00 0.00 C ATOM 943 C ASN A 63 -0.277 -5.042 -13.134 1.00 0.00 C ATOM 944 O ASN A 63 0.857 -4.585 -13.271 1.00 0.00 O ATOM 945 CB ASN A 63 0.291 -7.335 -13.875 1.00 0.00 C ATOM 946 CG ASN A 63 1.486 -8.049 -13.241 1.00 0.00 C ATOM 947 OD1 ASN A 63 2.610 -7.575 -13.267 1.00 0.00 O ATOM 948 ND2 ASN A 63 1.182 -9.212 -12.671 1.00 0.00 N ATOM 0 H ASN A 63 -2.345 -6.950 -11.967 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.117 -6.781 -11.836 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.371 -8.067 -14.338 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.638 -6.672 -14.668 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.911 -9.765 -12.220 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.220 -9.551 -12.685 1.00 0.00 H new ATOM 955 N GLU A 64 -1.390 -4.331 -13.231 1.00 0.00 N ATOM 956 CA GLU A 64 -1.346 -2.906 -13.515 1.00 0.00 C ATOM 957 C GLU A 64 -1.196 -2.110 -12.217 1.00 0.00 C ATOM 958 O GLU A 64 -1.710 -2.513 -11.175 1.00 0.00 O ATOM 959 CB GLU A 64 -2.588 -2.463 -14.290 1.00 0.00 C ATOM 960 CG GLU A 64 -2.345 -2.527 -15.799 1.00 0.00 C ATOM 961 CD GLU A 64 -1.079 -1.757 -16.183 1.00 0.00 C ATOM 962 OE1 GLU A 64 -0.985 -0.580 -15.774 1.00 0.00 O ATOM 963 OE2 GLU A 64 -0.235 -2.364 -16.877 1.00 0.00 O ATOM 0 H GLU A 64 -2.328 -4.715 -13.118 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.477 -2.707 -14.142 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.432 -3.101 -14.027 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.856 -1.446 -14.004 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.252 -3.567 -16.112 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.203 -2.111 -16.327 1.00 0.00 H new ATOM 970 N GLU A 65 -0.490 -0.994 -12.323 1.00 0.00 N ATOM 971 CA GLU A 65 -0.266 -0.138 -11.171 1.00 0.00 C ATOM 972 C GLU A 65 -1.549 0.613 -10.810 1.00 0.00 C ATOM 973 O GLU A 65 -2.207 1.180 -11.681 1.00 0.00 O ATOM 974 CB GLU A 65 0.886 0.836 -11.427 1.00 0.00 C ATOM 975 CG GLU A 65 2.237 0.123 -11.340 1.00 0.00 C ATOM 976 CD GLU A 65 3.386 1.131 -11.273 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.358 2.078 -12.089 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.265 0.932 -10.407 1.00 0.00 O ATOM 0 H GLU A 65 -0.066 -0.663 -13.189 1.00 0.00 H new ATOM 0 HA GLU A 65 0.014 -0.766 -10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.772 1.288 -12.412 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.851 1.646 -10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.258 -0.517 -10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.367 -0.525 -12.207 1.00 0.00 H new ATOM 985 N VAL A 66 -1.867 0.592 -9.524 1.00 0.00 N ATOM 986 CA VAL A 66 -3.060 1.264 -9.037 1.00 0.00 C ATOM 987 C VAL A 66 -2.686 2.170 -7.862 1.00 0.00 C ATOM 988 O VAL A 66 -2.131 1.706 -6.868 1.00 0.00 O ATOM 989 CB VAL A 66 -4.132 0.233 -8.680 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.412 0.918 -8.195 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.421 -0.691 -9.864 1.00 0.00 C ATOM 0 H VAL A 66 -1.319 0.120 -8.804 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.485 1.899 -9.814 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.749 -0.379 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.158 0.162 -7.948 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.192 1.514 -7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.799 1.566 -8.982 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.187 -1.414 -9.583 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.773 -0.100 -10.709 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.509 -1.218 -10.145 1.00 0.00 H new ATOM 1001 N SER A 67 -3.007 3.447 -8.016 1.00 0.00 N ATOM 1002 CA SER A 67 -2.711 4.422 -6.980 1.00 0.00 C ATOM 1003 C SER A 67 -3.828 4.428 -5.934 1.00 0.00 C ATOM 1004 O SER A 67 -5.008 4.394 -6.280 1.00 0.00 O ATOM 1005 CB SER A 67 -2.533 5.821 -7.575 1.00 0.00 C ATOM 1006 OG SER A 67 -3.781 6.478 -7.777 1.00 0.00 O ATOM 0 H SER A 67 -3.469 3.828 -8.842 1.00 0.00 H new ATOM 0 HA SER A 67 -1.774 4.139 -6.501 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.911 6.421 -6.911 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.005 5.746 -8.525 1.00 0.00 H new ATOM 0 HG SER A 67 -3.625 7.368 -8.156 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.416 4.472 -4.675 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.366 4.483 -3.577 1.00 0.00 C ATOM 1014 C ILE A 68 -4.469 5.901 -3.011 1.00 0.00 C ATOM 1015 O ILE A 68 -3.526 6.398 -2.396 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.990 3.431 -2.532 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.907 2.039 -3.162 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.956 3.466 -1.346 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.480 0.994 -2.129 1.00 0.00 C ATOM 0 H ILE A 68 -2.437 4.500 -4.392 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.359 4.207 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.999 3.671 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.876 1.767 -3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.195 2.051 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.666 2.708 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.923 4.450 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.969 3.265 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.429 0.014 -2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.500 1.256 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.207 0.967 -1.317 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.622 6.513 -3.239 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.860 7.864 -2.760 1.00 0.00 C ATOM 1033 C ASN A 69 -7.113 7.876 -1.882 1.00 0.00 C ATOM 1034 O ASN A 69 -7.835 8.871 -1.839 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.089 8.829 -3.925 1.00 0.00 C ATOM 1036 CG ASN A 69 -4.823 9.632 -4.229 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -4.514 10.622 -3.586 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -4.109 9.152 -5.243 1.00 0.00 N ATOM 0 H ASN A 69 -6.402 6.098 -3.749 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.983 8.181 -2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.391 8.270 -4.811 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.906 9.509 -3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.246 9.617 -5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.424 8.319 -5.739 1.00 0.00 H new ATOM 1045 N SER A 70 -7.332 6.759 -1.205 1.00 0.00 N ATOM 1046 CA SER A 70 -8.486 6.628 -0.331 1.00 0.00 C ATOM 1047 C SER A 70 -8.447 5.279 0.389 1.00 0.00 C ATOM 1048 O SER A 70 -7.810 4.338 -0.082 1.00 0.00 O ATOM 1049 CB SER A 70 -9.791 6.774 -1.116 1.00 0.00 C ATOM 1050 OG SER A 70 -10.880 6.123 -0.466 1.00 0.00 O ATOM 0 H SER A 70 -6.730 5.936 -1.244 1.00 0.00 H new ATOM 0 HA SER A 70 -8.447 7.428 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.023 7.832 -1.241 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.662 6.356 -2.114 1.00 0.00 H new ATOM 0 HG SER A 70 -11.695 6.240 -0.997 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.135 5.228 1.520 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.187 4.009 2.310 1.00 0.00 C ATOM 1058 C GLN A 71 -9.776 2.865 1.482 1.00 0.00 C ATOM 1059 O GLN A 71 -9.182 1.791 1.389 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.988 4.223 3.596 1.00 0.00 C ATOM 1061 CG GLN A 71 -10.094 2.924 4.398 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.005 2.852 5.471 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -8.655 3.834 6.104 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.491 1.637 5.639 1.00 0.00 N ATOM 0 H GLN A 71 -9.661 6.011 1.908 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.170 3.740 2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.510 4.992 4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.986 4.586 3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.076 2.861 4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.005 2.070 3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.830 0.857 5.075 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.758 1.485 6.332 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.936 3.133 0.901 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.611 2.139 0.084 1.00 0.00 C ATOM 1075 C GLY A 72 -10.652 1.525 -0.938 1.00 0.00 C ATOM 1076 O GLY A 72 -10.672 0.317 -1.166 1.00 0.00 O ATOM 0 H GLY A 72 -11.426 4.024 0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.019 1.355 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.453 2.599 -0.433 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.834 2.387 -1.525 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.869 1.945 -2.517 1.00 0.00 C ATOM 1082 C GLU A 73 -7.899 0.934 -1.902 1.00 0.00 C ATOM 1083 O GLU A 73 -7.588 -0.086 -2.514 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.115 3.134 -3.116 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.768 3.597 -4.420 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.821 4.497 -5.218 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.549 5.613 -4.725 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.391 4.048 -6.302 1.00 0.00 O ATOM 0 H GLU A 73 -9.820 3.389 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.409 1.454 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.099 3.957 -2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.078 2.855 -3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.044 2.730 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.688 4.137 -4.198 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.449 1.252 -0.697 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.522 0.385 0.009 1.00 0.00 C ATOM 1097 C TYR A 74 -7.192 -0.934 0.398 1.00 0.00 C ATOM 1098 O TYR A 74 -6.642 -2.008 0.158 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.126 1.137 1.282 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.121 0.389 2.159 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.178 -0.435 1.580 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.157 0.538 3.531 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.231 -1.139 2.406 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.211 -0.166 4.357 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.295 -0.970 3.754 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.401 -1.635 4.534 1.00 0.00 O ATOM 0 H TYR A 74 -7.710 2.099 -0.192 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.664 0.148 -0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.703 2.102 1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.024 1.339 1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.150 -0.552 0.507 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.895 1.183 3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.487 -1.786 1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.228 -0.058 5.431 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.879 -2.125 5.235 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.370 -0.810 0.991 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.121 -1.979 1.415 1.00 0.00 C ATOM 1118 C GLU A 75 -9.057 -3.069 0.344 1.00 0.00 C ATOM 1119 O GLU A 75 -8.505 -4.143 0.578 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.571 -1.612 1.738 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.645 -0.683 2.951 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.915 -0.943 3.764 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -12.976 -1.106 3.123 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -11.797 -0.972 5.008 1.00 0.00 O ATOM 0 H GLU A 75 -8.823 0.082 1.188 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.667 -2.367 2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.028 -1.127 0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.144 -2.518 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.768 -0.832 3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.627 0.355 2.620 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.628 -2.755 -0.810 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.643 -3.694 -1.918 1.00 0.00 C ATOM 1133 C GLU A 76 -8.246 -4.281 -2.135 1.00 0.00 C ATOM 1134 O GLU A 76 -8.072 -5.499 -2.119 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.162 -3.028 -3.194 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.619 -2.593 -3.032 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.426 -2.897 -4.296 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -11.847 -2.734 -5.391 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.604 -3.284 -4.138 1.00 0.00 O ATOM 0 H GLU A 76 -10.084 -1.863 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.324 -4.508 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.545 -2.162 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.077 -3.721 -4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.063 -3.108 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.662 -1.525 -2.817 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.288 -3.388 -2.333 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.913 -3.802 -2.552 1.00 0.00 C ATOM 1148 C ALA A 77 -5.516 -4.825 -1.485 1.00 0.00 C ATOM 1149 O ALA A 77 -4.846 -5.811 -1.785 1.00 0.00 O ATOM 1150 CB ALA A 77 -5.002 -2.572 -2.548 1.00 0.00 C ATOM 0 H ALA A 77 -7.437 -2.379 -2.346 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.808 -4.283 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.970 -2.883 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.307 -1.891 -3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.079 -2.065 -1.586 1.00 0.00 H new ATOM 1156 N LEU A 78 -5.948 -4.554 -0.262 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.646 -5.439 0.850 1.00 0.00 C ATOM 1158 C LEU A 78 -6.373 -6.770 0.649 1.00 0.00 C ATOM 1159 O LEU A 78 -5.855 -7.825 1.011 1.00 0.00 O ATOM 1160 CB LEU A 78 -5.970 -4.756 2.181 1.00 0.00 C ATOM 1161 CG LEU A 78 -4.927 -3.763 2.697 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.487 -2.929 3.850 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.632 -4.481 3.084 1.00 0.00 C ATOM 0 H LEU A 78 -6.504 -3.735 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.579 -5.660 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.920 -4.232 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.113 -5.528 2.937 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.684 -3.072 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.725 -2.231 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.359 -2.372 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.777 -3.588 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.907 -3.753 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.840 -5.209 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.226 -4.993 2.212 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.563 -6.677 0.073 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.366 -7.861 -0.180 1.00 0.00 C ATOM 1177 C LYS A 79 -7.673 -8.726 -1.235 1.00 0.00 C ATOM 1178 O LYS A 79 -7.664 -9.952 -1.129 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.797 -7.468 -0.551 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.563 -6.967 0.675 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.330 -5.683 0.355 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.379 -5.388 1.430 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.510 -4.626 0.855 1.00 0.00 N ATOM 0 H LYS A 79 -7.990 -5.800 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.450 -8.465 0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.778 -6.691 -1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.314 -8.326 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.258 -7.735 1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.867 -6.785 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.634 -4.848 0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.816 -5.778 -0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.742 -6.322 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.926 -4.820 2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.213 -4.434 1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.161 -3.726 0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.952 -5.182 0.095 1.00 0.00 H new ATOM 1197 N MET A 80 -7.110 -8.054 -2.228 1.00 0.00 N ATOM 1198 CA MET A 80 -6.417 -8.746 -3.302 1.00 0.00 C ATOM 1199 C MET A 80 -5.119 -9.380 -2.797 1.00 0.00 C ATOM 1200 O MET A 80 -4.746 -10.470 -3.229 1.00 0.00 O ATOM 1201 CB MET A 80 -6.099 -7.758 -4.425 1.00 0.00 C ATOM 1202 CG MET A 80 -5.850 -8.490 -5.745 1.00 0.00 C ATOM 1203 SD MET A 80 -4.961 -7.430 -6.873 1.00 0.00 S ATOM 1204 CE MET A 80 -3.283 -7.895 -6.479 1.00 0.00 C ATOM 0 H MET A 80 -7.119 -7.037 -2.312 1.00 0.00 H new ATOM 0 HA MET A 80 -7.065 -9.538 -3.676 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.926 -7.058 -4.544 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.220 -7.171 -4.159 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.280 -9.401 -5.563 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.799 -8.791 -6.188 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.701 -7.968 -7.397 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.840 -7.142 -5.828 1.00 0.00 H new ATOM 0 HE3 MET A 80 -3.282 -8.859 -5.971 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.465 -8.669 -1.889 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.216 -9.148 -1.321 1.00 0.00 C ATOM 1216 C ALA A 81 -3.431 -10.545 -0.733 1.00 0.00 C ATOM 1217 O ALA A 81 -2.555 -11.403 -0.828 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.713 -8.149 -0.278 1.00 0.00 C ATOM 0 H ALA A 81 -4.777 -7.765 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.450 -9.228 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.776 -8.508 0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.549 -7.181 -0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.455 -8.045 0.514 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.601 -10.729 -0.141 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.942 -12.007 0.462 1.00 0.00 C ATOM 1226 C VAL A 82 -4.896 -13.099 -0.609 1.00 0.00 C ATOM 1227 O VAL A 82 -4.387 -14.192 -0.364 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.301 -11.911 1.159 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.689 -13.249 1.790 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.303 -10.792 2.202 1.00 0.00 C ATOM 0 H VAL A 82 -5.325 -10.015 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.216 -12.273 1.230 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.049 -11.668 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.659 -13.153 2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.747 -14.013 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.938 -13.535 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.280 -10.745 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.538 -10.993 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.092 -9.840 1.715 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.434 -12.766 -1.773 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.460 -13.704 -2.881 1.00 0.00 C ATOM 1242 C LYS A 83 -4.033 -14.162 -3.190 1.00 0.00 C ATOM 1243 O LYS A 83 -3.775 -15.358 -3.317 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.184 -13.094 -4.083 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.628 -12.734 -3.728 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.532 -12.816 -4.960 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.278 -11.498 -5.181 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.521 -11.729 -5.951 1.00 0.00 N ATOM 0 H LYS A 83 -5.855 -11.859 -1.972 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.030 -14.594 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.654 -12.202 -4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.175 -13.799 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.996 -13.410 -2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.664 -11.727 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.933 -13.051 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.249 -13.628 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.518 -11.043 -4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.638 -10.796 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.271 -11.101 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.348 -11.529 -6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.818 -12.719 -5.841 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.144 -13.186 -3.303 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.750 -13.474 -3.595 1.00 0.00 C ATOM 1264 C GLN A 84 -1.170 -14.417 -2.539 1.00 0.00 C ATOM 1265 O GLN A 84 -0.891 -15.580 -2.826 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.932 -12.184 -3.687 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.708 -11.094 -4.429 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.820 -10.393 -5.459 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.074 -11.014 -6.199 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.940 -9.069 -5.465 1.00 0.00 N ATOM 0 H GLN A 84 -3.362 -12.195 -3.198 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.697 -13.970 -4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.679 -11.837 -2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.008 -12.381 -4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.572 -11.533 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.089 -10.364 -3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.583 -8.612 -4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.389 -8.510 -6.116 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.007 -13.880 -1.338 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.465 -14.659 -0.238 1.00 0.00 C ATOM 1281 C GLY A 85 -0.204 -13.775 0.983 1.00 0.00 C ATOM 1282 O GLY A 85 0.828 -13.907 1.640 1.00 0.00 O ATOM 0 H GLY A 85 -1.241 -12.915 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.161 -15.455 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.463 -15.138 -0.550 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.157 -12.895 1.251 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.043 -11.990 2.382 1.00 0.00 C ATOM 1288 C ASN A 86 0.056 -10.964 2.100 1.00 0.00 C ATOM 1289 O ASN A 86 0.719 -10.490 3.021 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.668 -12.746 3.658 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.556 -13.978 3.846 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.376 -15.007 3.217 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.521 -13.815 4.746 1.00 0.00 N ATOM 0 H ASN A 86 -2.012 -12.789 0.704 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.008 -11.503 2.522 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.378 -13.051 3.611 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.769 -12.086 4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.167 -14.579 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.615 -12.926 5.237 1.00 0.00 H new ATOM 1300 N GLN A 87 0.215 -10.651 0.822 1.00 0.00 N ATOM 1301 CA GLN A 87 1.223 -9.690 0.407 1.00 0.00 C ATOM 1302 C GLN A 87 0.712 -8.862 -0.774 1.00 0.00 C ATOM 1303 O GLN A 87 -0.182 -9.295 -1.500 1.00 0.00 O ATOM 1304 CB GLN A 87 2.538 -10.390 0.058 1.00 0.00 C ATOM 1305 CG GLN A 87 2.385 -11.249 -1.198 1.00 0.00 C ATOM 1306 CD GLN A 87 2.768 -10.459 -2.452 1.00 0.00 C ATOM 1307 OE1 GLN A 87 2.923 -9.249 -2.432 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.911 -11.209 -3.541 1.00 0.00 N ATOM 0 H GLN A 87 -0.337 -11.046 0.061 1.00 0.00 H new ATOM 0 HA GLN A 87 1.419 -9.016 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.320 -9.646 -0.099 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.855 -11.014 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.014 -12.135 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.355 -11.596 -1.283 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.766 -12.217 -3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.165 -10.776 -4.429 1.00 0.00 H new ATOM 1317 N LEU A 88 1.302 -7.686 -0.931 1.00 0.00 N ATOM 1318 CA LEU A 88 0.918 -6.794 -2.011 1.00 0.00 C ATOM 1319 C LEU A 88 2.165 -6.094 -2.556 1.00 0.00 C ATOM 1320 O LEU A 88 3.023 -5.660 -1.789 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.175 -5.830 -1.547 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.878 -5.033 -2.648 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.513 -5.966 -3.681 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.895 -4.057 -2.054 1.00 0.00 C ATOM 0 H LEU A 88 2.044 -7.330 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 88 0.483 -7.359 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.927 -6.400 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.265 -5.126 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.129 -4.438 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.006 -5.374 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.740 -6.584 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.247 -6.606 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.380 -3.503 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.646 -4.612 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.385 -3.360 -1.390 1.00 0.00 H new ATOM 1336 N GLN A 89 2.226 -6.006 -3.877 1.00 0.00 N ATOM 1337 CA GLN A 89 3.353 -5.366 -4.533 1.00 0.00 C ATOM 1338 C GLN A 89 3.044 -3.892 -4.801 1.00 0.00 C ATOM 1339 O GLN A 89 2.326 -3.565 -5.744 1.00 0.00 O ATOM 1340 CB GLN A 89 3.718 -6.093 -5.829 1.00 0.00 C ATOM 1341 CG GLN A 89 5.126 -6.687 -5.747 1.00 0.00 C ATOM 1342 CD GLN A 89 6.164 -5.715 -6.312 1.00 0.00 C ATOM 1343 OE1 GLN A 89 6.937 -6.039 -7.198 1.00 0.00 O ATOM 1344 NE2 GLN A 89 6.138 -4.509 -5.751 1.00 0.00 N ATOM 0 H GLN A 89 1.513 -6.367 -4.510 1.00 0.00 H new ATOM 0 HA GLN A 89 4.215 -5.422 -3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.995 -6.886 -6.021 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.660 -5.399 -6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.367 -6.920 -4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.162 -7.625 -6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.464 -4.304 -5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.792 -3.789 -6.059 1.00 0.00 H new ATOM 1353 N MET A 90 3.603 -3.040 -3.953 1.00 0.00 N ATOM 1354 CA MET A 90 3.396 -1.608 -4.086 1.00 0.00 C ATOM 1355 C MET A 90 4.663 -0.916 -4.592 1.00 0.00 C ATOM 1356 O MET A 90 5.774 -1.348 -4.289 1.00 0.00 O ATOM 1357 CB MET A 90 3.001 -1.021 -2.729 1.00 0.00 C ATOM 1358 CG MET A 90 1.728 -1.682 -2.196 1.00 0.00 C ATOM 1359 SD MET A 90 1.617 -1.455 -0.429 1.00 0.00 S ATOM 1360 CE MET A 90 0.297 -0.256 -0.352 1.00 0.00 C ATOM 0 H MET A 90 4.199 -3.314 -3.172 1.00 0.00 H new ATOM 0 HA MET A 90 2.599 -1.441 -4.810 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.814 -1.162 -2.017 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.844 0.053 -2.825 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.853 -1.250 -2.682 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.733 -2.745 -2.435 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.480 0.434 0.472 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.256 0.300 -1.288 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.652 -0.769 -0.192 1.00 0.00 H new ATOM 1370 N GLN A 91 4.454 0.147 -5.355 1.00 0.00 N ATOM 1371 CA GLN A 91 5.566 0.903 -5.906 1.00 0.00 C ATOM 1372 C GLN A 91 5.418 2.388 -5.567 1.00 0.00 C ATOM 1373 O GLN A 91 4.443 3.025 -5.964 1.00 0.00 O ATOM 1374 CB GLN A 91 5.675 0.694 -7.418 1.00 0.00 C ATOM 1375 CG GLN A 91 6.292 -0.668 -7.740 1.00 0.00 C ATOM 1376 CD GLN A 91 6.158 -0.992 -9.229 1.00 0.00 C ATOM 1377 OE1 GLN A 91 6.396 -0.166 -10.095 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.764 -2.238 -9.479 1.00 0.00 N ATOM 0 H GLN A 91 3.531 0.503 -5.605 1.00 0.00 H new ATOM 0 HA GLN A 91 6.488 0.537 -5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.686 0.765 -7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.284 1.485 -7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.345 -0.671 -7.457 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.801 -1.442 -7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.581 -2.880 -8.707 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.645 -2.552 -10.442 1.00 0.00 H new ATOM 1387 N VAL A 92 6.400 2.896 -4.836 1.00 0.00 N ATOM 1388 CA VAL A 92 6.391 4.293 -4.439 1.00 0.00 C ATOM 1389 C VAL A 92 6.670 5.168 -5.663 1.00 0.00 C ATOM 1390 O VAL A 92 7.533 4.845 -6.478 1.00 0.00 O ATOM 1391 CB VAL A 92 7.389 4.520 -3.302 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.971 5.934 -3.357 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.743 4.246 -1.943 1.00 0.00 C ATOM 0 H VAL A 92 7.207 2.365 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 92 5.411 4.575 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 92 8.210 3.815 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.677 6.069 -2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.485 6.079 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.166 6.663 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.474 4.415 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.894 4.915 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.400 3.212 -1.905 1.00 0.00 H new ATOM 1403 N HIS A 93 5.923 6.259 -5.753 1.00 0.00 N ATOM 1404 CA HIS A 93 6.079 7.183 -6.864 1.00 0.00 C ATOM 1405 C HIS A 93 6.050 8.621 -6.343 1.00 0.00 C ATOM 1406 O HIS A 93 4.978 9.193 -6.150 1.00 0.00 O ATOM 1407 CB HIS A 93 5.025 6.921 -7.941 1.00 0.00 C ATOM 1408 CG HIS A 93 5.449 5.913 -8.983 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.423 6.179 -9.930 1.00 0.00 N ATOM 1410 CD2 HIS A 93 5.023 4.639 -9.216 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.567 5.106 -10.694 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.698 4.153 -10.250 1.00 0.00 N ATOM 0 H HIS A 93 5.208 6.524 -5.075 1.00 0.00 H new ATOM 0 HA HIS A 93 7.047 7.025 -7.340 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.111 6.571 -7.462 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.785 7.862 -8.437 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.265 4.114 -8.654 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.252 5.004 -11.523 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.586 3.220 -10.647 1.00 0.00 H new ATOM 1420 N GLU A 94 7.239 9.164 -6.130 1.00 0.00 N ATOM 1421 CA GLU A 94 7.363 10.525 -5.635 1.00 0.00 C ATOM 1422 C GLU A 94 6.517 11.477 -6.483 1.00 0.00 C ATOM 1423 O GLU A 94 6.382 11.286 -7.690 1.00 0.00 O ATOM 1424 CB GLU A 94 8.827 10.968 -5.610 1.00 0.00 C ATOM 1425 CG GLU A 94 9.275 11.300 -4.185 1.00 0.00 C ATOM 1426 CD GLU A 94 9.355 12.813 -3.974 1.00 0.00 C ATOM 1427 OE1 GLU A 94 9.779 13.498 -4.930 1.00 0.00 O ATOM 1428 OE2 GLU A 94 8.988 13.251 -2.862 1.00 0.00 O ATOM 0 H GLU A 94 8.126 8.686 -6.291 1.00 0.00 H new ATOM 0 HA GLU A 94 6.991 10.554 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.457 10.178 -6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.957 11.841 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.576 10.866 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.249 10.850 -3.992 1.00 0.00 H new