USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 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 62 GLN : amide:sc= 0.13 K(o=-0.68,f=-1.4!) USER MOD Set 1.2: A 65 SER OG : rot -72:sc= -0.815 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.261 (180deg=-1.47!) USER MOD Single : A 1 MET N :NH3+ 175:sc= -2.64! (180deg=-2.73!) USER MOD Single : A 2 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -81:sc= -1.68 USER MOD Single : A 9 THR OG1 : rot -25:sc= 0.0932 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -103:sc= 0.0246 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 25 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0571) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00697 K(o=-0.007,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 41 GLN : amide:sc= -5.05! C(o=-5!,f=-9.3!) USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= -0.0177 (180deg=-1.68!) USER MOD Single : A 49 GLN : amide:sc=-0.00938 X(o=-0.0094,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0761 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= -0.458 USER MOD Single : A 60 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.200 -5.579 4.213 1.00 0.00 N ATOM 2 CA MET A 1 -12.348 -4.954 5.516 1.00 0.00 C ATOM 3 C MET A 1 -11.544 -3.655 5.597 1.00 0.00 C ATOM 4 O MET A 1 -10.990 -3.201 4.598 1.00 0.00 O ATOM 5 CB MET A 1 -11.869 -5.919 6.602 1.00 0.00 C ATOM 6 CG MET A 1 -10.371 -6.199 6.466 1.00 0.00 C ATOM 7 SD MET A 1 -9.879 -7.468 7.621 1.00 0.00 S ATOM 8 CE MET A 1 -10.830 -8.843 6.994 1.00 0.00 C ATOM 0 H1 MET A 1 -12.685 -6.499 4.212 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.618 -4.966 3.484 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.190 -5.720 4.008 1.00 0.00 H new ATOM 0 HA MET A 1 -13.401 -4.717 5.666 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.076 -5.497 7.585 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.425 -6.854 6.533 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.143 -6.514 5.448 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.804 -5.287 6.652 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.216 -9.744 7.003 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.707 -8.995 7.623 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.148 -8.630 5.973 1.00 0.00 H new ATOM 18 N GLN A 2 -11.505 -3.094 6.797 1.00 0.00 N ATOM 19 CA GLN A 2 -10.778 -1.856 7.021 1.00 0.00 C ATOM 20 C GLN A 2 -9.326 -2.154 7.398 1.00 0.00 C ATOM 21 O GLN A 2 -9.038 -3.183 8.009 1.00 0.00 O ATOM 22 CB GLN A 2 -11.460 -1.005 8.094 1.00 0.00 C ATOM 23 CG GLN A 2 -10.652 0.260 8.388 1.00 0.00 C ATOM 24 CD GLN A 2 -11.368 1.143 9.412 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.553 0.779 10.561 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.758 2.320 8.933 1.00 0.00 N ATOM 0 H GLN A 2 -11.965 -3.474 7.624 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.782 -1.283 6.094 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.462 -0.732 7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.574 -1.588 9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.666 -0.013 8.764 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.497 0.819 7.465 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.571 2.562 7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.244 2.981 9.539 1.00 0.00 H new ATOM 35 N ILE A 3 -8.449 -1.236 7.019 1.00 0.00 N ATOM 36 CA ILE A 3 -7.034 -1.389 7.311 1.00 0.00 C ATOM 37 C ILE A 3 -6.426 -0.014 7.601 1.00 0.00 C ATOM 38 O ILE A 3 -7.052 1.013 7.340 1.00 0.00 O ATOM 39 CB ILE A 3 -6.332 -2.144 6.180 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.239 -1.282 4.920 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.018 -3.485 5.909 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.492 -1.435 4.057 1.00 0.00 C ATOM 0 H ILE A 3 -8.691 -0.384 6.513 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.893 -1.996 8.205 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.312 -2.362 6.496 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.111 -0.236 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.359 -1.568 4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.500 -4.002 5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.988 -4.098 6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.055 -3.312 5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.400 -0.812 3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.604 -2.478 3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.367 -1.125 4.628 1.00 0.00 H new ATOM 54 N PHE A 4 -5.215 -0.040 8.138 1.00 0.00 N ATOM 55 CA PHE A 4 -4.517 1.192 8.467 1.00 0.00 C ATOM 56 C PHE A 4 -3.225 1.322 7.658 1.00 0.00 C ATOM 57 O PHE A 4 -2.206 0.728 8.008 1.00 0.00 O ATOM 58 CB PHE A 4 -4.169 1.124 9.955 1.00 0.00 C ATOM 59 CG PHE A 4 -5.345 1.431 10.884 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.524 0.770 10.728 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.212 2.363 11.865 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.616 1.055 11.591 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.304 2.647 12.727 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.483 1.987 12.572 1.00 0.00 C ATOM 0 H PHE A 4 -4.700 -0.893 8.353 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.147 2.051 8.235 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.789 0.128 10.184 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.363 1.828 10.162 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.630 0.029 9.949 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.276 2.887 11.989 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.552 0.531 11.468 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.198 3.387 13.506 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.313 2.203 13.228 1.00 0.00 H new ATOM 74 N VAL A 5 -3.308 2.103 6.591 1.00 0.00 N ATOM 75 CA VAL A 5 -2.158 2.319 5.730 1.00 0.00 C ATOM 76 C VAL A 5 -1.362 3.521 6.241 1.00 0.00 C ATOM 77 O VAL A 5 -1.937 4.467 6.779 1.00 0.00 O ATOM 78 CB VAL A 5 -2.615 2.477 4.278 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.069 3.911 3.999 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.511 2.053 3.307 1.00 0.00 C ATOM 0 H VAL A 5 -4.154 2.594 6.303 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.493 1.455 5.756 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.470 1.819 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.389 3.996 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.901 4.164 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.241 4.597 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.861 2.175 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.629 2.674 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.255 1.008 3.481 1.00 0.00 H new ATOM 90 N LYS A 6 -0.052 3.446 6.054 1.00 0.00 N ATOM 91 CA LYS A 6 0.828 4.517 6.490 1.00 0.00 C ATOM 92 C LYS A 6 1.343 5.277 5.266 1.00 0.00 C ATOM 93 O LYS A 6 1.368 4.737 4.161 1.00 0.00 O ATOM 94 CB LYS A 6 1.940 3.966 7.385 1.00 0.00 C ATOM 95 CG LYS A 6 1.589 4.138 8.864 1.00 0.00 C ATOM 96 CD LYS A 6 1.505 2.784 9.570 1.00 0.00 C ATOM 97 CE LYS A 6 2.893 2.158 9.722 1.00 0.00 C ATOM 98 NZ LYS A 6 3.593 2.730 10.894 1.00 0.00 N ATOM 0 H LYS A 6 0.421 2.661 5.607 1.00 0.00 H new ATOM 0 HA LYS A 6 0.282 5.233 7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.099 2.910 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.876 4.481 7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.342 4.759 9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.637 4.660 8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.049 2.910 10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.860 2.113 9.003 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.801 1.078 9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.479 2.334 8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.533 2.295 10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.697 3.757 10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.041 2.541 11.755 1.00 0.00 H new ATOM 112 N THR A 7 1.742 6.518 5.505 1.00 0.00 N ATOM 113 CA THR A 7 2.256 7.357 4.436 1.00 0.00 C ATOM 114 C THR A 7 3.774 7.500 4.552 1.00 0.00 C ATOM 115 O THR A 7 4.347 7.232 5.606 1.00 0.00 O ATOM 116 CB THR A 7 1.514 8.695 4.487 1.00 0.00 C ATOM 117 OG1 THR A 7 1.233 8.883 5.872 1.00 0.00 O ATOM 118 CG2 THR A 7 0.133 8.624 3.833 1.00 0.00 C ATOM 0 H THR A 7 1.720 6.962 6.423 1.00 0.00 H new ATOM 0 HA THR A 7 2.078 6.906 3.460 1.00 0.00 H new ATOM 0 HB THR A 7 2.111 9.460 3.991 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.440 8.363 6.118 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.350 9.599 3.897 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.240 8.340 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.477 7.883 4.350 1.00 0.00 H new ATOM 126 N LEU A 8 4.383 7.923 3.454 1.00 0.00 N ATOM 127 CA LEU A 8 5.824 8.105 3.419 1.00 0.00 C ATOM 128 C LEU A 8 6.212 9.246 4.361 1.00 0.00 C ATOM 129 O LEU A 8 7.396 9.498 4.581 1.00 0.00 O ATOM 130 CB LEU A 8 6.305 8.304 1.980 1.00 0.00 C ATOM 131 CG LEU A 8 7.268 7.244 1.443 1.00 0.00 C ATOM 132 CD1 LEU A 8 7.273 7.233 -0.088 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.673 7.437 2.019 1.00 0.00 C ATOM 0 H LEU A 8 3.904 8.145 2.581 1.00 0.00 H new ATOM 0 HA LEU A 8 6.330 7.209 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.432 8.338 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.792 9.277 1.912 1.00 0.00 H new ATOM 0 HG LEU A 8 6.917 6.266 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.966 6.471 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.270 7.011 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.586 8.209 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.338 6.670 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.048 8.422 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.635 7.356 3.105 1.00 0.00 H new ATOM 145 N THR A 9 5.193 9.906 4.891 1.00 0.00 N ATOM 146 CA THR A 9 5.414 11.015 5.804 1.00 0.00 C ATOM 147 C THR A 9 5.274 10.547 7.254 1.00 0.00 C ATOM 148 O THR A 9 5.684 11.248 8.178 1.00 0.00 O ATOM 149 CB THR A 9 4.441 12.135 5.430 1.00 0.00 C ATOM 150 OG1 THR A 9 4.782 13.200 6.314 1.00 0.00 O ATOM 151 CG2 THR A 9 2.993 11.799 5.792 1.00 0.00 C ATOM 0 H THR A 9 4.212 9.694 4.706 1.00 0.00 H new ATOM 0 HA THR A 9 6.429 11.404 5.717 1.00 0.00 H new ATOM 0 HB THR A 9 4.510 12.334 4.360 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.202 12.834 7.120 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.345 12.627 5.505 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.685 10.897 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.916 11.633 6.867 1.00 0.00 H new ATOM 159 N GLY A 10 4.693 9.366 7.409 1.00 0.00 N ATOM 160 CA GLY A 10 4.493 8.797 8.730 1.00 0.00 C ATOM 161 C GLY A 10 3.050 8.993 9.200 1.00 0.00 C ATOM 162 O GLY A 10 2.694 8.595 10.307 1.00 0.00 O ATOM 0 H GLY A 10 4.354 8.788 6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.732 7.734 8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.177 9.265 9.438 1.00 0.00 H new ATOM 166 N LYS A 11 2.257 9.607 8.333 1.00 0.00 N ATOM 167 CA LYS A 11 0.861 9.860 8.645 1.00 0.00 C ATOM 168 C LYS A 11 0.078 8.549 8.563 1.00 0.00 C ATOM 169 O LYS A 11 0.417 7.668 7.772 1.00 0.00 O ATOM 170 CB LYS A 11 0.303 10.967 7.746 1.00 0.00 C ATOM 171 CG LYS A 11 -1.052 11.458 8.258 1.00 0.00 C ATOM 172 CD LYS A 11 -1.046 12.975 8.455 1.00 0.00 C ATOM 173 CE LYS A 11 -1.105 13.336 9.940 1.00 0.00 C ATOM 174 NZ LYS A 11 -1.921 14.554 10.146 1.00 0.00 N ATOM 0 H LYS A 11 2.555 9.936 7.415 1.00 0.00 H new ATOM 0 HA LYS A 11 0.760 10.228 9.666 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.006 11.800 7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.197 10.594 6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.834 11.183 7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.288 10.966 9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.146 13.399 8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.897 13.416 7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.530 12.507 10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.097 13.498 10.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.950 14.785 11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.499 15.347 9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.888 14.387 9.801 1.00 0.00 H new ATOM 188 N THR A 12 -0.953 8.459 9.389 1.00 0.00 N ATOM 189 CA THR A 12 -1.786 7.269 9.420 1.00 0.00 C ATOM 190 C THR A 12 -3.106 7.524 8.689 1.00 0.00 C ATOM 191 O THR A 12 -3.856 8.430 9.052 1.00 0.00 O ATOM 192 CB THR A 12 -1.970 6.858 10.882 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.657 6.511 11.313 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.766 5.560 11.030 1.00 0.00 C ATOM 0 H THR A 12 -1.231 9.191 10.043 1.00 0.00 H new ATOM 0 HA THR A 12 -1.313 6.441 8.892 1.00 0.00 H new ATOM 0 HB THR A 12 -2.476 7.658 11.422 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.684 6.234 12.253 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.867 5.314 12.087 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.755 5.688 10.591 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.243 4.752 10.518 1.00 0.00 H new ATOM 202 N ILE A 13 -3.351 6.708 7.674 1.00 0.00 N ATOM 203 CA ILE A 13 -4.567 6.834 6.889 1.00 0.00 C ATOM 204 C ILE A 13 -5.298 5.490 6.871 1.00 0.00 C ATOM 205 O ILE A 13 -4.751 4.488 6.412 1.00 0.00 O ATOM 206 CB ILE A 13 -4.252 7.381 5.496 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.862 8.860 5.564 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.418 7.140 4.535 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.362 9.020 5.816 1.00 0.00 C ATOM 0 H ILE A 13 -2.728 5.957 7.377 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.241 7.559 7.345 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.393 6.838 5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.132 9.354 4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.423 9.351 6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.168 7.539 3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.608 6.070 4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.310 7.640 4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.111 10.080 5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.099 8.546 6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.805 8.549 5.006 1.00 0.00 H new ATOM 221 N THR A 14 -6.523 5.512 7.375 1.00 0.00 N ATOM 222 CA THR A 14 -7.334 4.307 7.423 1.00 0.00 C ATOM 223 C THR A 14 -8.287 4.259 6.226 1.00 0.00 C ATOM 224 O THR A 14 -8.778 5.293 5.776 1.00 0.00 O ATOM 225 CB THR A 14 -8.053 4.274 8.772 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.025 4.552 9.720 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.533 2.869 9.146 1.00 0.00 C ATOM 0 H THR A 14 -6.974 6.345 7.754 1.00 0.00 H new ATOM 0 HA THR A 14 -6.717 3.412 7.345 1.00 0.00 H new ATOM 0 HB THR A 14 -8.904 4.954 8.746 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.750 3.720 10.158 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.037 2.902 10.112 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.227 2.508 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.678 2.196 9.205 1.00 0.00 H new ATOM 235 N LEU A 15 -8.521 3.047 5.745 1.00 0.00 N ATOM 236 CA LEU A 15 -9.405 2.849 4.610 1.00 0.00 C ATOM 237 C LEU A 15 -10.322 1.655 4.883 1.00 0.00 C ATOM 238 O LEU A 15 -9.853 0.587 5.276 1.00 0.00 O ATOM 239 CB LEU A 15 -8.597 2.721 3.316 1.00 0.00 C ATOM 240 CG LEU A 15 -9.258 3.284 2.056 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.749 2.948 2.021 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.005 4.787 1.928 1.00 0.00 C ATOM 0 H LEU A 15 -8.113 2.191 6.121 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.047 3.719 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.640 3.224 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.381 1.666 3.149 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.801 2.806 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.194 3.360 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.878 1.866 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.240 3.378 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.486 5.161 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.416 5.301 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.932 4.972 1.872 1.00 0.00 H new ATOM 254 N GLU A 16 -11.609 1.875 4.665 1.00 0.00 N ATOM 255 CA GLU A 16 -12.595 0.829 4.884 1.00 0.00 C ATOM 256 C GLU A 16 -12.988 0.185 3.553 1.00 0.00 C ATOM 257 O GLU A 16 -13.690 0.794 2.747 1.00 0.00 O ATOM 258 CB GLU A 16 -13.824 1.378 5.612 1.00 0.00 C ATOM 259 CG GLU A 16 -14.215 2.754 5.068 1.00 0.00 C ATOM 260 CD GLU A 16 -15.649 3.111 5.462 1.00 0.00 C ATOM 261 OE1 GLU A 16 -15.814 3.647 6.580 1.00 0.00 O ATOM 262 OE2 GLU A 16 -16.549 2.839 4.638 1.00 0.00 O ATOM 0 H GLU A 16 -11.993 2.762 4.339 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.150 0.063 5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.659 0.687 5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.616 1.451 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.530 3.509 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.120 2.760 3.982 1.00 0.00 H new ATOM 269 N VAL A 17 -12.519 -1.039 3.363 1.00 0.00 N ATOM 270 CA VAL A 17 -12.814 -1.773 2.144 1.00 0.00 C ATOM 271 C VAL A 17 -13.331 -3.167 2.506 1.00 0.00 C ATOM 272 O VAL A 17 -13.465 -3.498 3.683 1.00 0.00 O ATOM 273 CB VAL A 17 -11.577 -1.809 1.244 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.289 -0.428 0.652 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.362 -2.345 2.003 1.00 0.00 C ATOM 0 H VAL A 17 -11.937 -1.541 4.033 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.599 -1.273 1.576 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.783 -2.490 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.405 -0.482 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.143 -0.101 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.113 0.284 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.497 -2.360 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.154 -1.701 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.569 -3.356 2.353 1.00 0.00 H new ATOM 285 N GLU A 18 -13.608 -3.947 1.471 1.00 0.00 N ATOM 286 CA GLU A 18 -14.108 -5.297 1.665 1.00 0.00 C ATOM 287 C GLU A 18 -13.021 -6.320 1.324 1.00 0.00 C ATOM 288 O GLU A 18 -12.066 -6.003 0.617 1.00 0.00 O ATOM 289 CB GLU A 18 -15.369 -5.540 0.833 1.00 0.00 C ATOM 290 CG GLU A 18 -16.619 -5.076 1.584 1.00 0.00 C ATOM 291 CD GLU A 18 -16.744 -5.789 2.932 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.146 -6.973 2.913 1.00 0.00 O ATOM 293 OE2 GLU A 18 -16.436 -5.135 3.951 1.00 0.00 O ATOM 0 H GLU A 18 -13.496 -3.670 0.496 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.376 -5.416 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.292 -5.008 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.455 -6.601 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.574 -3.998 1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.505 -5.274 0.980 1.00 0.00 H new ATOM 300 N PRO A 19 -13.210 -7.557 1.856 1.00 0.00 N ATOM 301 CA PRO A 19 -12.256 -8.628 1.616 1.00 0.00 C ATOM 302 C PRO A 19 -12.399 -9.179 0.196 1.00 0.00 C ATOM 303 O PRO A 19 -11.529 -9.907 -0.280 1.00 0.00 O ATOM 304 CB PRO A 19 -12.550 -9.664 2.688 1.00 0.00 C ATOM 305 CG PRO A 19 -13.950 -9.353 3.195 1.00 0.00 C ATOM 306 CD PRO A 19 -14.329 -7.969 2.698 1.00 0.00 C ATOM 0 HA PRO A 19 -11.221 -8.293 1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.497 -10.674 2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.820 -9.608 3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.661 -10.096 2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.978 -9.388 4.284 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.261 -7.993 2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.476 -7.277 3.527 1.00 0.00 H new ATOM 314 N SER A 20 -13.501 -8.811 -0.439 1.00 0.00 N ATOM 315 CA SER A 20 -13.769 -9.261 -1.795 1.00 0.00 C ATOM 316 C SER A 20 -13.168 -8.277 -2.801 1.00 0.00 C ATOM 317 O SER A 20 -12.904 -8.638 -3.947 1.00 0.00 O ATOM 318 CB SER A 20 -15.271 -9.417 -2.038 1.00 0.00 C ATOM 319 OG SER A 20 -15.568 -10.561 -2.836 1.00 0.00 O ATOM 0 H SER A 20 -14.219 -8.206 -0.040 1.00 0.00 H new ATOM 0 HA SER A 20 -13.304 -10.238 -1.929 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.786 -9.499 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.653 -8.523 -2.530 1.00 0.00 H new ATOM 0 HG SER A 20 -16.537 -10.626 -2.967 1.00 0.00 H new ATOM 325 N ASP A 21 -12.969 -7.053 -2.335 1.00 0.00 N ATOM 326 CA ASP A 21 -12.404 -6.013 -3.178 1.00 0.00 C ATOM 327 C ASP A 21 -10.941 -6.345 -3.480 1.00 0.00 C ATOM 328 O ASP A 21 -10.236 -6.887 -2.630 1.00 0.00 O ATOM 329 CB ASP A 21 -12.446 -4.653 -2.480 1.00 0.00 C ATOM 330 CG ASP A 21 -13.789 -4.294 -1.842 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.795 -4.914 -2.252 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.781 -3.408 -0.960 1.00 0.00 O ATOM 0 H ASP A 21 -13.189 -6.758 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.993 -5.966 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.677 -4.634 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.188 -3.881 -3.205 1.00 0.00 H new ATOM 337 N THR A 22 -10.529 -6.006 -4.692 1.00 0.00 N ATOM 338 CA THR A 22 -9.162 -6.262 -5.117 1.00 0.00 C ATOM 339 C THR A 22 -8.246 -5.116 -4.683 1.00 0.00 C ATOM 340 O THR A 22 -8.720 -4.076 -4.228 1.00 0.00 O ATOM 341 CB THR A 22 -9.173 -6.493 -6.629 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.734 -5.297 -7.160 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.159 -7.585 -7.048 1.00 0.00 C ATOM 0 H THR A 22 -11.117 -5.556 -5.394 1.00 0.00 H new ATOM 0 HA THR A 22 -8.760 -7.156 -4.641 1.00 0.00 H new ATOM 0 HB THR A 22 -8.170 -6.762 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.776 -5.361 -8.137 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.127 -7.708 -8.131 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.887 -8.525 -6.567 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.167 -7.301 -6.745 1.00 0.00 H new ATOM 351 N ILE A 23 -6.951 -5.344 -4.841 1.00 0.00 N ATOM 352 CA ILE A 23 -5.964 -4.344 -4.471 1.00 0.00 C ATOM 353 C ILE A 23 -6.236 -3.054 -5.249 1.00 0.00 C ATOM 354 O ILE A 23 -6.247 -1.969 -4.672 1.00 0.00 O ATOM 355 CB ILE A 23 -4.548 -4.892 -4.662 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.228 -5.962 -3.618 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.517 -3.761 -4.658 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.164 -5.358 -2.214 1.00 0.00 C ATOM 0 H ILE A 23 -6.562 -6.207 -5.220 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.046 -4.101 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.497 -5.371 -5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.988 -6.742 -3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.276 -6.435 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.519 -4.178 -4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.735 -3.067 -5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.561 -3.232 -3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.935 -6.141 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.386 -4.595 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.125 -4.907 -1.968 1.00 0.00 H new ATOM 370 N GLU A 24 -6.447 -3.217 -6.547 1.00 0.00 N ATOM 371 CA GLU A 24 -6.718 -2.080 -7.409 1.00 0.00 C ATOM 372 C GLU A 24 -7.921 -1.293 -6.888 1.00 0.00 C ATOM 373 O GLU A 24 -7.922 -0.063 -6.913 1.00 0.00 O ATOM 374 CB GLU A 24 -6.941 -2.529 -8.854 1.00 0.00 C ATOM 375 CG GLU A 24 -6.220 -1.602 -9.834 1.00 0.00 C ATOM 376 CD GLU A 24 -6.379 -2.094 -11.274 1.00 0.00 C ATOM 377 OE1 GLU A 24 -6.995 -3.170 -11.442 1.00 0.00 O ATOM 378 OE2 GLU A 24 -5.883 -1.385 -12.175 1.00 0.00 O ATOM 0 H GLU A 24 -6.436 -4.119 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.847 -1.424 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.580 -3.550 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.008 -2.538 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.620 -0.592 -9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.162 -1.550 -9.579 1.00 0.00 H new ATOM 385 N ASN A 25 -8.919 -2.034 -6.426 1.00 0.00 N ATOM 386 CA ASN A 25 -10.126 -1.421 -5.900 1.00 0.00 C ATOM 387 C ASN A 25 -9.773 -0.590 -4.665 1.00 0.00 C ATOM 388 O ASN A 25 -10.272 0.522 -4.496 1.00 0.00 O ATOM 389 CB ASN A 25 -11.145 -2.482 -5.480 1.00 0.00 C ATOM 390 CG ASN A 25 -12.573 -1.943 -5.586 1.00 0.00 C ATOM 391 OD1 ASN A 25 -12.808 -0.803 -5.951 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.510 -2.824 -5.248 1.00 0.00 N ATOM 0 H ASN A 25 -8.915 -3.054 -6.406 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.557 -0.798 -6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.038 -3.364 -6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.946 -2.797 -4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.495 -2.561 -5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.244 -3.763 -4.951 1.00 0.00 H new ATOM 399 N VAL A 26 -8.914 -1.160 -3.832 1.00 0.00 N ATOM 400 CA VAL A 26 -8.489 -0.486 -2.617 1.00 0.00 C ATOM 401 C VAL A 26 -7.728 0.789 -2.987 1.00 0.00 C ATOM 402 O VAL A 26 -8.004 1.860 -2.449 1.00 0.00 O ATOM 403 CB VAL A 26 -7.671 -1.441 -1.748 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.481 -0.874 -0.340 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.315 -2.828 -1.699 1.00 0.00 C ATOM 0 H VAL A 26 -8.501 -2.082 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.353 -0.188 -2.022 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.686 -1.546 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.896 -1.573 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.957 0.080 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.455 -0.724 0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.712 -3.487 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.318 -2.749 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.374 -3.238 -2.707 1.00 0.00 H new ATOM 415 N LYS A 27 -6.783 0.630 -3.902 1.00 0.00 N ATOM 416 CA LYS A 27 -5.978 1.755 -4.350 1.00 0.00 C ATOM 417 C LYS A 27 -6.893 2.823 -4.952 1.00 0.00 C ATOM 418 O LYS A 27 -6.695 4.016 -4.725 1.00 0.00 O ATOM 419 CB LYS A 27 -4.877 1.282 -5.301 1.00 0.00 C ATOM 420 CG LYS A 27 -3.537 1.164 -4.572 1.00 0.00 C ATOM 421 CD LYS A 27 -2.901 -0.207 -4.812 1.00 0.00 C ATOM 422 CE LYS A 27 -1.990 -0.181 -6.041 1.00 0.00 C ATOM 423 NZ LYS A 27 -2.748 -0.552 -7.256 1.00 0.00 N ATOM 0 H LYS A 27 -6.556 -0.260 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.463 2.214 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.150 0.317 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.783 1.982 -6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.862 1.947 -4.916 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.686 1.318 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.326 -0.504 -3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.682 -0.955 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.561 0.814 -6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.158 -0.871 -5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.096 -0.629 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.220 -1.466 -7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.462 0.178 -7.456 1.00 0.00 H new ATOM 437 N ALA A 28 -7.877 2.357 -5.708 1.00 0.00 N ATOM 438 CA ALA A 28 -8.823 3.257 -6.344 1.00 0.00 C ATOM 439 C ALA A 28 -9.550 4.068 -5.270 1.00 0.00 C ATOM 440 O ALA A 28 -9.771 5.267 -5.435 1.00 0.00 O ATOM 441 CB ALA A 28 -9.786 2.451 -7.218 1.00 0.00 C ATOM 0 H ALA A 28 -8.039 1.367 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.305 3.962 -6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.496 3.126 -7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.223 1.917 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.326 1.735 -6.599 1.00 0.00 H new ATOM 447 N LYS A 29 -9.902 3.382 -4.192 1.00 0.00 N ATOM 448 CA LYS A 29 -10.600 4.023 -3.091 1.00 0.00 C ATOM 449 C LYS A 29 -9.693 5.087 -2.469 1.00 0.00 C ATOM 450 O LYS A 29 -10.155 6.170 -2.113 1.00 0.00 O ATOM 451 CB LYS A 29 -11.098 2.978 -2.091 1.00 0.00 C ATOM 452 CG LYS A 29 -12.600 3.130 -1.841 1.00 0.00 C ATOM 453 CD LYS A 29 -13.103 2.067 -0.862 1.00 0.00 C ATOM 454 CE LYS A 29 -14.388 2.524 -0.170 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.463 1.524 -0.360 1.00 0.00 N ATOM 0 H LYS A 29 -9.716 2.388 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.492 4.535 -3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.888 1.978 -2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.557 3.082 -1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.807 4.123 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.140 3.045 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.285 1.134 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.336 1.863 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.203 2.670 0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.703 3.486 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.328 1.850 0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.651 1.405 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.166 0.614 0.046 1.00 0.00 H new ATOM 469 N ILE A 30 -8.419 4.741 -2.356 1.00 0.00 N ATOM 470 CA ILE A 30 -7.443 5.652 -1.783 1.00 0.00 C ATOM 471 C ILE A 30 -7.343 6.902 -2.660 1.00 0.00 C ATOM 472 O ILE A 30 -7.170 8.009 -2.152 1.00 0.00 O ATOM 473 CB ILE A 30 -6.106 4.941 -1.571 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.270 3.723 -0.659 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.046 5.911 -1.045 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.215 2.660 -0.968 1.00 0.00 C ATOM 0 H ILE A 30 -8.040 3.841 -2.652 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.763 5.980 -0.794 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.758 4.575 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.186 4.031 0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.266 3.300 -0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.105 5.380 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.902 6.718 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.375 6.328 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.354 1.806 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.317 2.337 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.221 3.079 -0.815 1.00 0.00 H new ATOM 488 N GLN A 31 -7.455 6.683 -3.962 1.00 0.00 N ATOM 489 CA GLN A 31 -7.379 7.778 -4.915 1.00 0.00 C ATOM 490 C GLN A 31 -8.567 8.726 -4.730 1.00 0.00 C ATOM 491 O GLN A 31 -8.383 9.905 -4.435 1.00 0.00 O ATOM 492 CB GLN A 31 -7.315 7.253 -6.350 1.00 0.00 C ATOM 493 CG GLN A 31 -7.140 8.400 -7.347 1.00 0.00 C ATOM 494 CD GLN A 31 -7.659 8.008 -8.731 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.933 6.853 -9.016 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.777 9.030 -9.575 1.00 0.00 N ATOM 0 H GLN A 31 -7.598 5.763 -4.380 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.461 8.335 -4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.486 6.552 -6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.227 6.702 -6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.674 9.281 -6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.086 8.671 -7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.530 9.972 -9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.114 8.871 -10.524 1.00 0.00 H new ATOM 505 N ASP A 32 -9.758 8.174 -4.910 1.00 0.00 N ATOM 506 CA ASP A 32 -10.974 8.955 -4.768 1.00 0.00 C ATOM 507 C ASP A 32 -10.941 9.702 -3.433 1.00 0.00 C ATOM 508 O ASP A 32 -11.500 10.791 -3.314 1.00 0.00 O ATOM 509 CB ASP A 32 -12.211 8.054 -4.775 1.00 0.00 C ATOM 510 CG ASP A 32 -13.328 8.496 -5.721 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.032 8.622 -6.930 1.00 0.00 O ATOM 512 OD2 ASP A 32 -14.453 8.700 -5.216 1.00 0.00 O ATOM 0 H ASP A 32 -9.906 7.195 -5.153 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.029 9.650 -5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.904 7.044 -5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.611 8.005 -3.762 1.00 0.00 H new ATOM 517 N LYS A 33 -10.280 9.087 -2.463 1.00 0.00 N ATOM 518 CA LYS A 33 -10.166 9.681 -1.142 1.00 0.00 C ATOM 519 C LYS A 33 -9.153 10.826 -1.187 1.00 0.00 C ATOM 520 O LYS A 33 -9.532 11.996 -1.169 1.00 0.00 O ATOM 521 CB LYS A 33 -9.839 8.610 -0.099 1.00 0.00 C ATOM 522 CG LYS A 33 -10.586 8.872 1.210 1.00 0.00 C ATOM 523 CD LYS A 33 -11.015 7.559 1.868 1.00 0.00 C ATOM 524 CE LYS A 33 -11.592 7.808 3.264 1.00 0.00 C ATOM 525 NZ LYS A 33 -12.348 6.625 3.730 1.00 0.00 N ATOM 0 H LYS A 33 -9.818 8.183 -2.566 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.119 10.111 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.109 7.627 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.765 8.595 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.947 9.433 1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.463 9.489 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.760 7.063 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.160 6.887 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.786 8.030 3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.246 8.680 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.733 6.810 4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.129 6.431 3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.714 5.801 3.768 1.00 0.00 H new ATOM 539 N GLU A 34 -7.884 10.448 -1.246 1.00 0.00 N ATOM 540 CA GLU A 34 -6.814 11.429 -1.294 1.00 0.00 C ATOM 541 C GLU A 34 -6.620 11.934 -2.726 1.00 0.00 C ATOM 542 O GLU A 34 -6.752 13.128 -2.990 1.00 0.00 O ATOM 543 CB GLU A 34 -5.512 10.849 -0.737 1.00 0.00 C ATOM 544 CG GLU A 34 -5.300 11.275 0.718 1.00 0.00 C ATOM 545 CD GLU A 34 -3.847 11.689 0.961 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.051 10.791 1.307 1.00 0.00 O ATOM 547 OE2 GLU A 34 -3.567 12.897 0.794 1.00 0.00 O ATOM 0 H GLU A 34 -7.574 9.477 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.095 12.274 -0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.538 9.761 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.671 11.184 -1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.964 12.106 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.564 10.453 1.384 1.00 0.00 H new ATOM 554 N GLY A 35 -6.310 10.999 -3.611 1.00 0.00 N ATOM 555 CA GLY A 35 -6.097 11.334 -5.009 1.00 0.00 C ATOM 556 C GLY A 35 -4.712 10.882 -5.477 1.00 0.00 C ATOM 557 O GLY A 35 -4.086 11.541 -6.304 1.00 0.00 O ATOM 0 H GLY A 35 -6.201 10.010 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.864 10.860 -5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.198 12.410 -5.148 1.00 0.00 H new ATOM 561 N ILE A 36 -4.275 9.758 -4.926 1.00 0.00 N ATOM 562 CA ILE A 36 -2.976 9.209 -5.277 1.00 0.00 C ATOM 563 C ILE A 36 -3.132 8.265 -6.471 1.00 0.00 C ATOM 564 O ILE A 36 -4.122 7.543 -6.571 1.00 0.00 O ATOM 565 CB ILE A 36 -2.325 8.555 -4.056 1.00 0.00 C ATOM 566 CG1 ILE A 36 -2.066 9.584 -2.955 1.00 0.00 C ATOM 567 CG2 ILE A 36 -1.050 7.805 -4.452 1.00 0.00 C ATOM 568 CD1 ILE A 36 -2.452 9.028 -1.583 1.00 0.00 C ATOM 0 H ILE A 36 -4.797 9.213 -4.240 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.296 10.003 -5.586 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.020 7.819 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.013 9.864 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.637 10.490 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.606 7.349 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.295 7.028 -5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.340 8.503 -4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.258 9.780 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.511 8.772 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.862 8.136 -1.373 1.00 0.00 H new ATOM 580 N PRO A 37 -2.112 8.303 -7.370 1.00 0.00 N ATOM 581 CA PRO A 37 -2.126 7.461 -8.553 1.00 0.00 C ATOM 582 C PRO A 37 -1.803 6.008 -8.196 1.00 0.00 C ATOM 583 O PRO A 37 -0.973 5.749 -7.326 1.00 0.00 O ATOM 584 CB PRO A 37 -1.104 8.083 -9.491 1.00 0.00 C ATOM 585 CG PRO A 37 -0.226 8.969 -8.623 1.00 0.00 C ATOM 586 CD PRO A 37 -0.923 9.146 -7.284 1.00 0.00 C ATOM 0 HA PRO A 37 -3.107 7.417 -9.026 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.512 7.315 -9.989 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.594 8.664 -10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.756 8.516 -8.485 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.067 9.935 -9.102 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.279 8.840 -6.459 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.189 10.189 -7.111 1.00 0.00 H new ATOM 594 N PRO A 38 -2.493 5.075 -8.905 1.00 0.00 N ATOM 595 CA PRO A 38 -2.288 3.655 -8.671 1.00 0.00 C ATOM 596 C PRO A 38 -0.964 3.186 -9.276 1.00 0.00 C ATOM 597 O PRO A 38 -0.381 2.205 -8.818 1.00 0.00 O ATOM 598 CB PRO A 38 -3.499 2.976 -9.291 1.00 0.00 C ATOM 599 CG PRO A 38 -4.100 3.990 -10.249 1.00 0.00 C ATOM 600 CD PRO A 38 -3.483 5.345 -9.943 1.00 0.00 C ATOM 0 HA PRO A 38 -2.209 3.409 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.210 2.066 -9.816 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.219 2.687 -8.526 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.900 3.704 -11.282 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.183 4.029 -10.133 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.019 5.778 -10.829 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.236 6.054 -9.598 1.00 0.00 H new ATOM 608 N ASP A 39 -0.528 3.909 -10.298 1.00 0.00 N ATOM 609 CA ASP A 39 0.717 3.578 -10.970 1.00 0.00 C ATOM 610 C ASP A 39 1.890 3.846 -10.025 1.00 0.00 C ATOM 611 O ASP A 39 2.896 3.140 -10.063 1.00 0.00 O ATOM 612 CB ASP A 39 0.913 4.438 -12.221 1.00 0.00 C ATOM 613 CG ASP A 39 -0.345 4.643 -13.067 1.00 0.00 C ATOM 614 OD1 ASP A 39 -0.843 3.628 -13.600 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.781 5.811 -13.163 1.00 0.00 O ATOM 0 H ASP A 39 -1.014 4.722 -10.676 1.00 0.00 H new ATOM 0 HA ASP A 39 0.676 2.527 -11.256 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.292 5.414 -11.917 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.681 3.978 -12.843 1.00 0.00 H new ATOM 620 N GLN A 40 1.721 4.869 -9.199 1.00 0.00 N ATOM 621 CA GLN A 40 2.753 5.239 -8.246 1.00 0.00 C ATOM 622 C GLN A 40 2.399 4.716 -6.852 1.00 0.00 C ATOM 623 O GLN A 40 2.992 5.136 -5.858 1.00 0.00 O ATOM 624 CB GLN A 40 2.963 6.753 -8.225 1.00 0.00 C ATOM 625 CG GLN A 40 4.450 7.102 -8.313 1.00 0.00 C ATOM 626 CD GLN A 40 4.899 7.230 -9.770 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.526 6.452 -10.632 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.717 8.254 -9.996 1.00 0.00 N ATOM 0 H GLN A 40 0.885 5.453 -9.171 1.00 0.00 H new ATOM 0 HA GLN A 40 3.691 4.780 -8.559 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.429 7.209 -9.058 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.542 7.169 -7.310 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.639 8.038 -7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.038 6.332 -7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.990 8.868 -9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.071 8.426 -10.937 1.00 0.00 H new ATOM 637 N GLN A 41 1.436 3.807 -6.822 1.00 0.00 N ATOM 638 CA GLN A 41 0.996 3.223 -5.566 1.00 0.00 C ATOM 639 C GLN A 41 1.759 1.927 -5.289 1.00 0.00 C ATOM 640 O GLN A 41 1.767 1.017 -6.117 1.00 0.00 O ATOM 641 CB GLN A 41 -0.515 2.979 -5.574 1.00 0.00 C ATOM 642 CG GLN A 41 -1.278 4.256 -5.217 1.00 0.00 C ATOM 643 CD GLN A 41 -1.894 4.153 -3.819 1.00 0.00 C ATOM 644 OE1 GLN A 41 -1.681 3.202 -3.088 1.00 0.00 O ATOM 645 NE2 GLN A 41 -2.667 5.185 -3.493 1.00 0.00 N ATOM 0 H GLN A 41 0.948 3.460 -7.648 1.00 0.00 H new ATOM 0 HA GLN A 41 1.212 3.928 -4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.825 2.629 -6.558 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.764 2.192 -4.863 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.603 5.111 -5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.063 4.433 -5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.803 5.950 -4.154 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.124 5.212 -2.582 1.00 0.00 H new ATOM 654 N ARG A 42 2.382 1.883 -4.120 1.00 0.00 N ATOM 655 CA ARG A 42 3.147 0.712 -3.723 1.00 0.00 C ATOM 656 C ARG A 42 2.805 0.318 -2.284 1.00 0.00 C ATOM 657 O ARG A 42 3.348 0.883 -1.336 1.00 0.00 O ATOM 658 CB ARG A 42 4.650 0.975 -3.829 1.00 0.00 C ATOM 659 CG ARG A 42 5.306 0.013 -4.821 1.00 0.00 C ATOM 660 CD ARG A 42 6.830 0.127 -4.770 1.00 0.00 C ATOM 661 NE ARG A 42 7.444 -1.205 -4.962 1.00 0.00 N ATOM 662 CZ ARG A 42 8.742 -1.403 -5.231 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.570 -0.356 -5.344 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.211 -2.648 -5.389 1.00 0.00 N ATOM 0 H ARG A 42 2.373 2.639 -3.435 1.00 0.00 H new ATOM 0 HA ARG A 42 2.884 -0.102 -4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.821 2.003 -4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.112 0.863 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.007 -1.010 -4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.955 0.230 -5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.178 0.812 -5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.140 0.545 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 42 6.842 -2.024 -4.885 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.213 0.592 -5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.558 -0.507 -5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.580 -3.445 -5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.199 -2.799 -5.594 1.00 0.00 H new ATOM 678 N LEU A 43 1.905 -0.648 -2.167 1.00 0.00 N ATOM 679 CA LEU A 43 1.484 -1.124 -0.860 1.00 0.00 C ATOM 680 C LEU A 43 2.273 -2.385 -0.503 1.00 0.00 C ATOM 681 O LEU A 43 2.212 -3.383 -1.219 1.00 0.00 O ATOM 682 CB LEU A 43 -0.033 -1.316 -0.824 1.00 0.00 C ATOM 683 CG LEU A 43 -0.860 -0.280 -1.587 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.354 -0.600 -1.502 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.547 1.137 -1.100 1.00 0.00 C ATOM 0 H LEU A 43 1.456 -1.114 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 43 1.706 -0.382 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.264 -2.303 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.355 -1.313 0.217 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.581 -0.327 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.919 0.152 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.541 -1.583 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.668 -0.597 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.148 1.855 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.780 1.217 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.511 1.350 -1.256 1.00 0.00 H new ATOM 697 N ILE A 44 2.997 -2.298 0.603 1.00 0.00 N ATOM 698 CA ILE A 44 3.797 -3.420 1.064 1.00 0.00 C ATOM 699 C ILE A 44 3.071 -4.121 2.213 1.00 0.00 C ATOM 700 O ILE A 44 2.448 -3.468 3.049 1.00 0.00 O ATOM 701 CB ILE A 44 5.212 -2.958 1.421 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.924 -2.377 0.197 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.013 -4.091 2.066 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.056 -0.856 0.311 1.00 0.00 C ATOM 0 H ILE A 44 3.046 -1.468 1.194 1.00 0.00 H new ATOM 0 HA ILE A 44 3.917 -4.155 0.268 1.00 0.00 H new ATOM 0 HB ILE A 44 5.135 -2.159 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.913 -2.825 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.369 -2.631 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.014 -3.736 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.512 -4.418 2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.084 -4.928 1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.565 -0.468 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.064 -0.409 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.632 -0.607 1.202 1.00 0.00 H new ATOM 716 N PHE A 45 3.175 -5.441 2.218 1.00 0.00 N ATOM 717 CA PHE A 45 2.535 -6.239 3.252 1.00 0.00 C ATOM 718 C PHE A 45 3.256 -7.575 3.438 1.00 0.00 C ATOM 719 O PHE A 45 3.525 -8.280 2.466 1.00 0.00 O ATOM 720 CB PHE A 45 1.103 -6.506 2.787 1.00 0.00 C ATOM 721 CG PHE A 45 0.098 -6.665 3.930 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.257 -7.661 4.843 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.955 -5.810 4.033 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.675 -7.808 5.903 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.888 -5.958 5.094 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.728 -6.953 6.006 1.00 0.00 C ATOM 0 H PHE A 45 3.693 -5.979 1.523 1.00 0.00 H new ATOM 0 HA PHE A 45 2.562 -5.707 4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.781 -5.686 2.145 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.092 -7.410 2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.093 -8.340 4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.082 -5.019 3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.548 -8.599 6.628 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.725 -5.280 5.176 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.437 -7.065 6.813 1.00 0.00 H new ATOM 736 N ALA A 46 3.549 -7.884 4.693 1.00 0.00 N ATOM 737 CA ALA A 46 4.234 -9.123 5.018 1.00 0.00 C ATOM 738 C ALA A 46 5.534 -9.210 4.215 1.00 0.00 C ATOM 739 O ALA A 46 6.080 -10.296 4.026 1.00 0.00 O ATOM 740 CB ALA A 46 3.302 -10.307 4.749 1.00 0.00 C ATOM 0 H ALA A 46 3.324 -7.297 5.497 1.00 0.00 H new ATOM 0 HA ALA A 46 4.498 -9.149 6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.816 -11.237 4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.408 -10.214 5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.018 -10.315 3.697 1.00 0.00 H new ATOM 746 N GLY A 47 5.991 -8.050 3.765 1.00 0.00 N ATOM 747 CA GLY A 47 7.216 -7.981 2.987 1.00 0.00 C ATOM 748 C GLY A 47 6.930 -8.170 1.496 1.00 0.00 C ATOM 749 O GLY A 47 7.801 -7.940 0.658 1.00 0.00 O ATOM 0 H GLY A 47 5.535 -7.152 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.700 -7.018 3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.911 -8.748 3.328 1.00 0.00 H new ATOM 753 N LYS A 48 5.706 -8.587 1.208 1.00 0.00 N ATOM 754 CA LYS A 48 5.293 -8.808 -0.168 1.00 0.00 C ATOM 755 C LYS A 48 4.409 -7.646 -0.624 1.00 0.00 C ATOM 756 O LYS A 48 3.563 -7.171 0.132 1.00 0.00 O ATOM 757 CB LYS A 48 4.631 -10.180 -0.314 1.00 0.00 C ATOM 758 CG LYS A 48 3.407 -10.298 0.596 1.00 0.00 C ATOM 759 CD LYS A 48 2.571 -11.527 0.234 1.00 0.00 C ATOM 760 CE LYS A 48 2.723 -12.623 1.291 1.00 0.00 C ATOM 761 NZ LYS A 48 1.828 -12.360 2.441 1.00 0.00 N ATOM 0 H LYS A 48 4.986 -8.778 1.905 1.00 0.00 H new ATOM 0 HA LYS A 48 6.160 -8.826 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.334 -10.336 -1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.349 -10.962 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.728 -10.365 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.796 -9.400 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.522 -11.245 0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.881 -11.909 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.488 -13.593 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.758 -12.668 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.318 -12.605 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.569 -11.353 2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.967 -12.937 2.350 1.00 0.00 H new ATOM 775 N GLN A 49 4.635 -7.223 -1.859 1.00 0.00 N ATOM 776 CA GLN A 49 3.869 -6.125 -2.425 1.00 0.00 C ATOM 777 C GLN A 49 2.533 -6.636 -2.969 1.00 0.00 C ATOM 778 O GLN A 49 2.469 -7.712 -3.560 1.00 0.00 O ATOM 779 CB GLN A 49 4.665 -5.406 -3.516 1.00 0.00 C ATOM 780 CG GLN A 49 4.878 -6.314 -4.729 1.00 0.00 C ATOM 781 CD GLN A 49 5.950 -5.744 -5.660 1.00 0.00 C ATOM 782 OE1 GLN A 49 5.903 -4.597 -6.072 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.914 -6.606 -5.967 1.00 0.00 N ATOM 0 H GLN A 49 5.337 -7.620 -2.483 1.00 0.00 H new ATOM 0 HA GLN A 49 3.666 -5.403 -1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.136 -4.503 -3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.630 -5.091 -3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.173 -7.309 -4.395 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.940 -6.425 -5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.892 -7.552 -5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.676 -6.321 -6.583 1.00 0.00 H new ATOM 792 N LEU A 50 1.498 -5.838 -2.747 1.00 0.00 N ATOM 793 CA LEU A 50 0.167 -6.196 -3.207 1.00 0.00 C ATOM 794 C LEU A 50 0.091 -6.019 -4.725 1.00 0.00 C ATOM 795 O LEU A 50 0.318 -4.924 -5.237 1.00 0.00 O ATOM 796 CB LEU A 50 -0.895 -5.404 -2.442 1.00 0.00 C ATOM 797 CG LEU A 50 -0.644 -5.218 -0.944 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.791 -4.447 -0.287 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.391 -6.562 -0.260 1.00 0.00 C ATOM 0 H LEU A 50 1.554 -4.946 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.038 -7.246 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.985 -4.419 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.855 -5.904 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 50 0.258 -4.619 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.587 -4.329 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.882 -3.465 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.722 -4.998 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.215 -6.402 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.260 -7.206 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.483 -7.037 -0.704 1.00 0.00 H new ATOM 811 N GLU A 51 -0.229 -7.112 -5.401 1.00 0.00 N ATOM 812 CA GLU A 51 -0.338 -7.090 -6.850 1.00 0.00 C ATOM 813 C GLU A 51 -1.753 -6.688 -7.271 1.00 0.00 C ATOM 814 O GLU A 51 -2.704 -7.439 -7.059 1.00 0.00 O ATOM 815 CB GLU A 51 0.048 -8.445 -7.448 1.00 0.00 C ATOM 816 CG GLU A 51 1.349 -8.965 -6.834 1.00 0.00 C ATOM 817 CD GLU A 51 1.672 -10.371 -7.344 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.817 -10.507 -8.579 1.00 0.00 O ATOM 819 OE2 GLU A 51 1.769 -11.277 -6.488 1.00 0.00 O ATOM 0 H GLU A 51 -0.416 -8.019 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 51 0.359 -6.346 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.753 -9.164 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.164 -8.350 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.167 -8.288 -7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.262 -8.979 -5.748 1.00 0.00 H new ATOM 826 N ASP A 52 -1.847 -5.505 -7.859 1.00 0.00 N ATOM 827 CA ASP A 52 -3.129 -4.994 -8.312 1.00 0.00 C ATOM 828 C ASP A 52 -3.865 -6.088 -9.087 1.00 0.00 C ATOM 829 O ASP A 52 -3.543 -6.358 -10.244 1.00 0.00 O ATOM 830 CB ASP A 52 -2.947 -3.795 -9.244 1.00 0.00 C ATOM 831 CG ASP A 52 -1.824 -3.941 -10.272 1.00 0.00 C ATOM 832 OD1 ASP A 52 -0.765 -4.479 -9.883 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.049 -3.510 -11.424 1.00 0.00 O ATOM 0 H ASP A 52 -1.056 -4.885 -8.032 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.697 -4.685 -7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.884 -3.620 -9.773 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.753 -2.910 -8.639 1.00 0.00 H new ATOM 838 N GLY A 53 -4.839 -6.691 -8.420 1.00 0.00 N ATOM 839 CA GLY A 53 -5.622 -7.751 -9.032 1.00 0.00 C ATOM 840 C GLY A 53 -6.011 -8.810 -8.000 1.00 0.00 C ATOM 841 O GLY A 53 -6.909 -9.617 -8.242 1.00 0.00 O ATOM 0 H GLY A 53 -5.104 -6.465 -7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.521 -7.330 -9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.049 -8.214 -9.835 1.00 0.00 H new ATOM 845 N ARG A 54 -5.319 -8.774 -6.871 1.00 0.00 N ATOM 846 CA ARG A 54 -5.582 -9.722 -5.802 1.00 0.00 C ATOM 847 C ARG A 54 -6.513 -9.101 -4.759 1.00 0.00 C ATOM 848 O ARG A 54 -6.590 -7.879 -4.639 1.00 0.00 O ATOM 849 CB ARG A 54 -4.283 -10.158 -5.120 1.00 0.00 C ATOM 850 CG ARG A 54 -3.547 -11.204 -5.961 1.00 0.00 C ATOM 851 CD ARG A 54 -2.599 -12.035 -5.095 1.00 0.00 C ATOM 852 NE ARG A 54 -1.424 -12.455 -5.890 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.400 -13.534 -6.683 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.487 -14.310 -6.791 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.289 -13.839 -7.367 1.00 0.00 N ATOM 0 H ARG A 54 -4.576 -8.103 -6.673 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.058 -10.597 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.640 -9.291 -4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.505 -10.569 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.270 -11.859 -6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.983 -10.709 -6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.275 -11.452 -4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.120 -12.912 -4.709 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.579 -11.887 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.332 -14.079 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.469 -15.132 -7.395 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.539 -13.249 -7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.271 -14.661 -7.971 1.00 0.00 H new ATOM 869 N THR A 55 -7.196 -9.970 -4.029 1.00 0.00 N ATOM 870 CA THR A 55 -8.118 -9.522 -3.000 1.00 0.00 C ATOM 871 C THR A 55 -7.457 -9.596 -1.621 1.00 0.00 C ATOM 872 O THR A 55 -6.647 -10.486 -1.365 1.00 0.00 O ATOM 873 CB THR A 55 -9.392 -10.363 -3.108 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.918 -11.677 -3.386 1.00 0.00 O ATOM 875 CG2 THR A 55 -10.229 -10.001 -4.336 1.00 0.00 C ATOM 0 H THR A 55 -7.129 -10.983 -4.130 1.00 0.00 H new ATOM 0 HA THR A 55 -8.388 -8.475 -3.141 1.00 0.00 H new ATOM 0 HB THR A 55 -9.992 -10.231 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.679 -12.288 -3.470 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.121 -10.626 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.522 -8.953 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.641 -10.165 -5.239 1.00 0.00 H new ATOM 883 N LEU A 56 -7.827 -8.650 -0.772 1.00 0.00 N ATOM 884 CA LEU A 56 -7.280 -8.597 0.574 1.00 0.00 C ATOM 885 C LEU A 56 -7.454 -9.960 1.244 1.00 0.00 C ATOM 886 O LEU A 56 -6.631 -10.362 2.066 1.00 0.00 O ATOM 887 CB LEU A 56 -7.903 -7.441 1.360 1.00 0.00 C ATOM 888 CG LEU A 56 -7.767 -6.053 0.731 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.015 -5.207 0.998 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.490 -5.357 1.207 1.00 0.00 C ATOM 0 H LEU A 56 -8.499 -7.914 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.210 -8.391 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.963 -7.653 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.449 -7.415 2.351 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.683 -6.174 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.894 -4.225 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.888 -5.701 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.153 -5.092 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.418 -4.373 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.518 -5.248 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.623 -5.954 0.925 1.00 0.00 H new ATOM 902 N SER A 57 -8.530 -10.636 0.870 1.00 0.00 N ATOM 903 CA SER A 57 -8.822 -11.947 1.425 1.00 0.00 C ATOM 904 C SER A 57 -7.721 -12.936 1.039 1.00 0.00 C ATOM 905 O SER A 57 -7.291 -13.744 1.861 1.00 0.00 O ATOM 906 CB SER A 57 -10.185 -12.456 0.948 1.00 0.00 C ATOM 907 OG SER A 57 -10.388 -13.828 1.280 1.00 0.00 O ATOM 0 H SER A 57 -9.211 -10.300 0.189 1.00 0.00 H new ATOM 0 HA SER A 57 -8.857 -11.859 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.975 -11.854 1.397 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.262 -12.329 -0.132 1.00 0.00 H new ATOM 0 HG SER A 57 -11.269 -14.115 0.960 1.00 0.00 H new ATOM 913 N ASP A 58 -7.295 -12.840 -0.212 1.00 0.00 N ATOM 914 CA ASP A 58 -6.252 -13.717 -0.717 1.00 0.00 C ATOM 915 C ASP A 58 -4.953 -13.448 0.046 1.00 0.00 C ATOM 916 O ASP A 58 -4.034 -14.265 0.020 1.00 0.00 O ATOM 917 CB ASP A 58 -5.988 -13.461 -2.202 1.00 0.00 C ATOM 918 CG ASP A 58 -5.844 -14.719 -3.060 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.897 -15.230 -3.499 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.684 -15.142 -3.255 1.00 0.00 O ATOM 0 H ASP A 58 -7.653 -12.168 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.582 -14.747 -0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.804 -12.858 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.078 -12.869 -2.297 1.00 0.00 H new ATOM 925 N TYR A 59 -4.920 -12.302 0.709 1.00 0.00 N ATOM 926 CA TYR A 59 -3.748 -11.916 1.479 1.00 0.00 C ATOM 927 C TYR A 59 -3.944 -12.223 2.965 1.00 0.00 C ATOM 928 O TYR A 59 -3.006 -12.115 3.752 1.00 0.00 O ATOM 929 CB TYR A 59 -3.604 -10.404 1.297 1.00 0.00 C ATOM 930 CG TYR A 59 -2.983 -9.994 -0.039 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.679 -10.341 -0.329 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.726 -9.277 -0.955 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.095 -9.955 -1.587 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.141 -8.891 -2.213 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.854 -9.249 -2.467 1.00 0.00 C ATOM 936 OH TYR A 59 -1.302 -8.884 -3.656 1.00 0.00 O ATOM 0 H TYR A 59 -5.685 -11.628 0.730 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.868 -12.463 1.141 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.588 -9.943 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.992 -10.008 2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.097 -10.902 0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.746 -9.005 -0.728 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.076 -10.220 -1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.712 -8.330 -2.938 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.885 -9.665 -4.077 1.00 0.00 H new ATOM 946 N ASN A 60 -5.169 -12.600 3.302 1.00 0.00 N ATOM 947 CA ASN A 60 -5.499 -12.924 4.680 1.00 0.00 C ATOM 948 C ASN A 60 -5.120 -11.746 5.581 1.00 0.00 C ATOM 949 O ASN A 60 -4.434 -11.925 6.586 1.00 0.00 O ATOM 950 CB ASN A 60 -4.724 -14.153 5.158 1.00 0.00 C ATOM 951 CG ASN A 60 -5.280 -14.670 6.486 1.00 0.00 C ATOM 952 OD1 ASN A 60 -6.454 -14.537 6.791 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.373 -15.265 7.257 1.00 0.00 N ATOM 0 H ASN A 60 -5.944 -12.688 2.645 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.568 -13.130 4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.782 -14.939 4.405 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.670 -13.900 5.275 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.644 -15.644 8.164 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.406 -15.343 6.940 1.00 0.00 H new ATOM 960 N ILE A 61 -5.583 -10.569 5.188 1.00 0.00 N ATOM 961 CA ILE A 61 -5.302 -9.362 5.947 1.00 0.00 C ATOM 962 C ILE A 61 -6.245 -9.290 7.150 1.00 0.00 C ATOM 963 O ILE A 61 -7.422 -9.633 7.042 1.00 0.00 O ATOM 964 CB ILE A 61 -5.365 -8.132 5.042 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.254 -8.167 3.990 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.336 -6.843 5.865 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.800 -7.823 2.603 1.00 0.00 C ATOM 0 H ILE A 61 -6.151 -10.425 4.353 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.285 -9.387 6.339 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.315 -8.150 4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.469 -7.461 4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.799 -9.157 3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.382 -5.983 5.196 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.191 -6.823 6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.414 -6.802 6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.990 -7.855 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.567 -8.546 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.233 -6.823 2.620 1.00 0.00 H new ATOM 979 N GLN A 62 -5.694 -8.842 8.268 1.00 0.00 N ATOM 980 CA GLN A 62 -6.472 -8.720 9.490 1.00 0.00 C ATOM 981 C GLN A 62 -7.015 -7.296 9.633 1.00 0.00 C ATOM 982 O GLN A 62 -6.390 -6.341 9.175 1.00 0.00 O ATOM 983 CB GLN A 62 -5.640 -9.116 10.710 1.00 0.00 C ATOM 984 CG GLN A 62 -4.622 -10.201 10.352 1.00 0.00 C ATOM 985 CD GLN A 62 -3.211 -9.617 10.253 1.00 0.00 C ATOM 986 OE1 GLN A 62 -2.987 -8.560 9.687 1.00 0.00 O ATOM 987 NE2 GLN A 62 -2.276 -10.362 10.836 1.00 0.00 N ATOM 0 H GLN A 62 -4.718 -8.559 8.354 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.318 -9.405 9.431 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.121 -8.240 11.100 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.297 -9.476 11.501 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.642 -10.987 11.107 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.896 -10.663 9.403 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.533 -11.237 11.293 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.302 -10.058 10.826 1.00 0.00 H new ATOM 996 N LYS A 63 -8.171 -7.199 10.272 1.00 0.00 N ATOM 997 CA LYS A 63 -8.804 -5.909 10.482 1.00 0.00 C ATOM 998 C LYS A 63 -7.790 -4.942 11.094 1.00 0.00 C ATOM 999 O LYS A 63 -6.984 -5.333 11.938 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.081 -6.067 11.311 1.00 0.00 C ATOM 1001 CG LYS A 63 -10.775 -4.718 11.512 1.00 0.00 C ATOM 1002 CD LYS A 63 -12.176 -4.905 12.098 1.00 0.00 C ATOM 1003 CE LYS A 63 -13.245 -4.359 11.148 1.00 0.00 C ATOM 1004 NZ LYS A 63 -13.451 -2.912 11.376 1.00 0.00 N ATOM 0 H LYS A 63 -8.686 -7.993 10.651 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.120 -5.481 9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.760 -6.758 10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.838 -6.503 12.280 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.179 -4.094 12.177 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.842 -4.194 10.559 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.357 -5.963 12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.243 -4.395 13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.944 -4.531 10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.182 -4.894 11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.179 -2.558 10.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.759 -2.756 12.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.559 -2.404 11.208 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.862 -3.697 10.646 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.959 -2.670 11.139 1.00 0.00 C ATOM 1020 C GLU A 64 -5.506 -3.128 10.996 1.00 0.00 C ATOM 1021 O GLU A 64 -4.715 -2.993 11.928 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.280 -2.310 12.591 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.750 -1.914 12.746 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.396 -2.653 13.919 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.634 -3.054 14.826 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.636 -2.802 13.883 1.00 0.00 O ATOM 0 H GLU A 64 -8.532 -3.376 9.947 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.097 -1.772 10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.058 -3.159 13.237 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.642 -1.488 12.915 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.826 -0.838 12.903 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.290 -2.141 11.827 1.00 0.00 H new ATOM 1033 N SER A 65 -5.200 -3.659 9.821 1.00 0.00 N ATOM 1034 CA SER A 65 -3.855 -4.137 9.544 1.00 0.00 C ATOM 1035 C SER A 65 -2.917 -2.952 9.305 1.00 0.00 C ATOM 1036 O SER A 65 -3.366 -1.810 9.210 1.00 0.00 O ATOM 1037 CB SER A 65 -3.843 -5.076 8.337 1.00 0.00 C ATOM 1038 OG SER A 65 -3.897 -6.446 8.725 1.00 0.00 O ATOM 0 H SER A 65 -5.859 -3.769 9.050 1.00 0.00 H new ATOM 0 HA SER A 65 -3.506 -4.699 10.411 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.692 -4.848 7.692 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.941 -4.901 7.750 1.00 0.00 H new ATOM 0 HG SER A 65 -3.038 -6.709 9.117 1.00 0.00 H new ATOM 1044 N THR A 66 -1.633 -3.264 9.215 1.00 0.00 N ATOM 1045 CA THR A 66 -0.628 -2.239 8.988 1.00 0.00 C ATOM 1046 C THR A 66 -0.082 -2.333 7.562 1.00 0.00 C ATOM 1047 O THR A 66 0.712 -3.221 7.255 1.00 0.00 O ATOM 1048 CB THR A 66 0.450 -2.388 10.064 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.133 -1.802 11.224 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.678 -1.520 9.785 1.00 0.00 C ATOM 0 H THR A 66 -1.265 -4.212 9.295 1.00 0.00 H new ATOM 0 HA THR A 66 -1.056 -1.240 9.072 1.00 0.00 H new ATOM 0 HB THR A 66 0.752 -3.433 10.133 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.499 -1.857 11.971 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.412 -1.663 10.578 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.116 -1.806 8.829 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.382 -0.472 9.749 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.530 -1.406 6.729 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.096 -1.374 5.342 1.00 0.00 C ATOM 1060 C LEU A 67 0.818 -0.166 5.127 1.00 0.00 C ATOM 1061 O LEU A 67 0.597 0.896 5.707 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.304 -1.407 4.402 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.116 -2.702 4.400 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.152 -2.702 5.526 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.757 -2.946 3.033 1.00 0.00 C ATOM 0 H LEU A 67 -1.189 -0.671 6.987 1.00 0.00 H new ATOM 0 HA LEU A 67 0.488 -2.263 5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.969 -0.585 4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.955 -1.219 3.387 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.435 -3.531 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.716 -3.635 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.645 -2.609 6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.834 -1.862 5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.329 -3.874 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.422 -2.117 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.978 -3.021 2.274 1.00 0.00 H new ATOM 1077 N HIS A 68 1.826 -0.370 4.291 1.00 0.00 N ATOM 1078 CA HIS A 68 2.775 0.689 3.991 1.00 0.00 C ATOM 1079 C HIS A 68 2.537 1.205 2.571 1.00 0.00 C ATOM 1080 O HIS A 68 2.776 0.491 1.598 1.00 0.00 O ATOM 1081 CB HIS A 68 4.211 0.211 4.216 1.00 0.00 C ATOM 1082 CG HIS A 68 4.468 -0.332 5.600 1.00 0.00 C ATOM 1083 ND1 HIS A 68 4.304 -1.668 5.924 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.879 0.293 6.741 1.00 0.00 C ATOM 1085 CE1 HIS A 68 4.606 -1.828 7.204 1.00 0.00 C ATOM 1086 NE2 HIS A 68 4.961 -0.612 7.709 1.00 0.00 N ATOM 0 H HIS A 68 2.006 -1.253 3.812 1.00 0.00 H new ATOM 0 HA HIS A 68 2.621 1.525 4.674 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.444 -0.563 3.484 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.893 1.041 4.030 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.100 1.345 6.840 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.576 -2.758 7.752 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.243 -0.428 8.672 1.00 0.00 H new ATOM 1094 N LEU A 69 2.069 2.443 2.496 1.00 0.00 N ATOM 1095 CA LEU A 69 1.796 3.063 1.210 1.00 0.00 C ATOM 1096 C LEU A 69 3.005 3.899 0.785 1.00 0.00 C ATOM 1097 O LEU A 69 3.194 5.013 1.270 1.00 0.00 O ATOM 1098 CB LEU A 69 0.488 3.855 1.265 1.00 0.00 C ATOM 1099 CG LEU A 69 0.369 5.022 0.281 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.418 4.526 -1.165 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.887 5.849 0.561 1.00 0.00 C ATOM 0 H LEU A 69 1.872 3.033 3.304 1.00 0.00 H new ATOM 0 HA LEU A 69 1.649 2.303 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.338 3.167 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.364 4.244 2.276 1.00 0.00 H new ATOM 0 HG LEU A 69 1.226 5.680 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.331 5.374 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.364 4.014 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.407 3.835 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.948 6.671 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.769 5.216 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.841 6.249 1.574 1.00 0.00 H new ATOM 1113 N VAL A 70 3.790 3.329 -0.117 1.00 0.00 N ATOM 1114 CA VAL A 70 4.976 4.008 -0.612 1.00 0.00 C ATOM 1115 C VAL A 70 4.794 4.321 -2.099 1.00 0.00 C ATOM 1116 O VAL A 70 3.903 3.777 -2.747 1.00 0.00 O ATOM 1117 CB VAL A 70 6.220 3.165 -0.327 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.468 3.805 -0.937 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.397 2.940 1.177 1.00 0.00 C ATOM 0 H VAL A 70 3.628 2.405 -0.518 1.00 0.00 H new ATOM 0 HA VAL A 70 5.118 4.956 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 70 6.080 2.192 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.338 3.185 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.343 3.889 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.614 4.797 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.289 2.338 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.504 3.902 1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.524 2.420 1.572 1.00 0.00 H new