USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 844 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: C 13 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.097) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.0202 USER MOD Set 2.2: C 21 THR OG1 : rot -68:sc= 0.0204 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.4!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= -0.102 (180deg=-0.478) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.95 K(o=-0.95,f=-1.6) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0632 K(o=-0.063,f=-1.9!) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.562 (180deg=-1.38!) USER MOD Single : A 43 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-2.8) USER MOD Single : A 48 TYR OH : rot 8:sc= 0.0418 USER MOD Single : A 49 GLN : amide:sc= 0.842 K(o=0.84,f=0) USER MOD Single : C 1 MET CE :methyl 175:sc= 0 (180deg=-0.0128) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0.00466 USER MOD Single : C 7 LYS NZ :NH3+ -158:sc= -0.116 (180deg=-0.584) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.38) USER MOD Single : C 29 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : C 35 ASN : amide:sc= -0.0317 K(o=-0.032,f=-1.9) USER MOD Single : C 38 LYS NZ :NH3+ -170:sc=-0.00895 (180deg=-0.136) USER MOD Single : C 43 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-2.6) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 GLN : amide:sc= 0.845 K(o=0.85,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.921 3.016 -1.901 1.00 0.00 N ATOM 2 CA MET A 1 -11.975 2.449 -0.920 1.00 0.00 C ATOM 3 C MET A 1 -12.000 0.929 -0.964 1.00 0.00 C ATOM 4 O MET A 1 -13.065 0.327 -0.865 1.00 0.00 O ATOM 5 CB MET A 1 -12.313 2.905 0.500 1.00 0.00 C ATOM 6 CG MET A 1 -11.430 2.202 1.532 1.00 0.00 C ATOM 7 SD MET A 1 -9.686 2.660 1.462 1.00 0.00 S ATOM 8 CE MET A 1 -9.803 4.173 2.445 1.00 0.00 C ATOM 0 H1 MET A 1 -12.888 4.054 -1.855 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.658 2.704 -2.857 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.884 2.690 -1.683 1.00 0.00 H new ATOM 0 HA MET A 1 -10.981 2.808 -1.186 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.181 3.984 0.579 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.362 2.696 0.712 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.811 2.424 2.529 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.515 1.125 1.391 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.817 4.629 2.530 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.485 4.871 1.959 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.179 3.933 3.440 1.00 0.00 H new ATOM 20 N LEU A 2 -10.833 0.303 -1.105 1.00 0.00 N ATOM 21 CA LEU A 2 -10.710 -1.144 -1.051 1.00 0.00 C ATOM 22 C LEU A 2 -9.596 -1.457 -0.052 1.00 0.00 C ATOM 23 O LEU A 2 -8.429 -1.164 -0.308 1.00 0.00 O ATOM 24 CB LEU A 2 -10.441 -1.663 -2.466 1.00 0.00 C ATOM 25 CG LEU A 2 -10.525 -3.190 -2.631 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.127 -3.777 -2.630 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.314 -3.909 -1.538 1.00 0.00 C ATOM 0 H LEU A 2 -9.949 0.788 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.617 -1.644 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.155 -1.200 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.448 -1.335 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.051 -3.344 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.187 -4.859 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.554 -3.354 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.634 -3.541 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.319 -4.980 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.848 -3.723 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.339 -3.538 -1.525 1.00 0.00 H new ATOM 39 N ILE A 3 -9.961 -2.050 1.088 1.00 0.00 N ATOM 40 CA ILE A 3 -9.015 -2.400 2.134 1.00 0.00 C ATOM 41 C ILE A 3 -8.441 -3.786 1.851 1.00 0.00 C ATOM 42 O ILE A 3 -9.147 -4.671 1.365 1.00 0.00 O ATOM 43 CB ILE A 3 -9.682 -2.422 3.521 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.122 -1.027 3.977 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.668 -2.931 4.547 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.531 -0.684 3.509 1.00 0.00 C ATOM 0 H ILE A 3 -10.926 -2.299 1.306 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.229 -1.644 2.139 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.560 -3.064 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.079 -0.972 5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.423 -0.284 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.129 -2.951 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.349 -3.937 4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.803 -2.268 4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.797 0.314 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.569 -0.711 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.236 -1.410 3.915 1.00 0.00 H new ATOM 58 N LEU A 4 -7.157 -3.960 2.170 1.00 0.00 N ATOM 59 CA LEU A 4 -6.488 -5.249 2.134 1.00 0.00 C ATOM 60 C LEU A 4 -5.540 -5.304 3.325 1.00 0.00 C ATOM 61 O LEU A 4 -4.813 -4.345 3.582 1.00 0.00 O ATOM 62 CB LEU A 4 -5.702 -5.399 0.826 1.00 0.00 C ATOM 63 CG LEU A 4 -6.606 -5.490 -0.409 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.746 -5.491 -1.671 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.436 -6.772 -0.399 1.00 0.00 C ATOM 0 H LEU A 4 -6.550 -3.195 2.464 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.214 -6.060 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.028 -4.550 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.081 -6.293 0.882 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.277 -4.631 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.389 -5.556 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.163 -4.571 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.072 -6.347 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.066 -6.805 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.771 -7.636 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.064 -6.792 0.491 1.00 0.00 H new ATOM 77 N THR A 5 -5.536 -6.421 4.055 1.00 0.00 N ATOM 78 CA THR A 5 -4.577 -6.616 5.131 1.00 0.00 C ATOM 79 C THR A 5 -3.347 -7.291 4.552 1.00 0.00 C ATOM 80 O THR A 5 -3.456 -8.071 3.604 1.00 0.00 O ATOM 81 CB THR A 5 -5.165 -7.482 6.246 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.631 -8.706 5.733 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.320 -6.769 6.935 1.00 0.00 C ATOM 0 H THR A 5 -6.184 -7.197 3.918 1.00 0.00 H new ATOM 0 HA THR A 5 -4.320 -5.649 5.563 1.00 0.00 H new ATOM 0 HB THR A 5 -4.370 -7.667 6.968 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.002 -9.246 6.462 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.721 -7.405 7.724 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.964 -5.834 7.368 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.103 -6.557 6.207 1.00 0.00 H new ATOM 91 N ARG A 6 -2.173 -6.998 5.111 1.00 0.00 N ATOM 92 CA ARG A 6 -0.946 -7.618 4.642 1.00 0.00 C ATOM 93 C ARG A 6 0.059 -7.725 5.780 1.00 0.00 C ATOM 94 O ARG A 6 0.196 -6.794 6.570 1.00 0.00 O ATOM 95 CB ARG A 6 -0.407 -6.754 3.496 1.00 0.00 C ATOM 96 CG ARG A 6 0.600 -7.468 2.592 1.00 0.00 C ATOM 97 CD ARG A 6 -0.036 -8.583 1.750 1.00 0.00 C ATOM 98 NE ARG A 6 -0.217 -9.818 2.523 1.00 0.00 N ATOM 99 CZ ARG A 6 -1.335 -10.547 2.564 1.00 0.00 C ATOM 100 NH1 ARG A 6 -2.410 -10.214 1.853 1.00 0.00 N ATOM 101 NH2 ARG A 6 -1.372 -11.627 3.334 1.00 0.00 N ATOM 0 H ARG A 6 -2.051 -6.341 5.882 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.130 -8.632 4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.245 -6.412 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.065 -5.866 3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.065 -6.739 1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.394 -7.892 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.001 -8.247 1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.592 -8.786 0.883 1.00 0.00 H new ATOM 0 HE ARG A 6 0.576 -10.146 3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.392 -9.385 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.252 -10.788 1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.554 -11.890 3.884 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.219 -12.194 3.376 1.00 0.00 H new ATOM 115 N LYS A 7 0.763 -8.857 5.873 1.00 0.00 N ATOM 116 CA LYS A 7 1.811 -9.043 6.868 1.00 0.00 C ATOM 117 C LYS A 7 3.112 -8.493 6.294 1.00 0.00 C ATOM 118 O LYS A 7 3.305 -8.513 5.076 1.00 0.00 O ATOM 119 CB LYS A 7 1.955 -10.541 7.182 1.00 0.00 C ATOM 120 CG LYS A 7 2.169 -10.870 8.661 1.00 0.00 C ATOM 121 CD LYS A 7 0.934 -10.567 9.513 1.00 0.00 C ATOM 122 CE LYS A 7 1.093 -11.124 10.933 1.00 0.00 C ATOM 123 NZ LYS A 7 1.214 -12.593 10.942 1.00 0.00 N ATOM 0 H LYS A 7 0.620 -9.662 5.263 1.00 0.00 H new ATOM 0 HA LYS A 7 1.565 -8.518 7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.060 -11.058 6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.794 -10.938 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.426 -11.924 8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.016 -10.298 9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.774 -9.490 9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.050 -11.001 9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.976 -10.685 11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.235 -10.828 11.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.982 -12.955 11.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.558 -13.000 10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.188 -12.863 10.698 1.00 0.00 H new ATOM 137 N VAL A 8 4.016 -7.999 7.145 1.00 0.00 N ATOM 138 CA VAL A 8 5.284 -7.474 6.648 1.00 0.00 C ATOM 139 C VAL A 8 6.014 -8.562 5.860 1.00 0.00 C ATOM 140 O VAL A 8 6.100 -9.708 6.305 1.00 0.00 O ATOM 141 CB VAL A 8 6.143 -6.912 7.788 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.369 -5.810 8.518 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.556 -7.971 8.808 1.00 0.00 C ATOM 0 H VAL A 8 3.896 -7.953 8.157 1.00 0.00 H new ATOM 0 HA VAL A 8 5.084 -6.640 5.976 1.00 0.00 H new ATOM 0 HB VAL A 8 7.052 -6.523 7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.980 -5.411 9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.128 -5.010 7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.448 -6.223 8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.161 -7.509 9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.665 -8.413 9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.137 -8.748 8.311 1.00 0.00 H new ATOM 153 N GLY A 9 6.537 -8.204 4.686 1.00 0.00 N ATOM 154 CA GLY A 9 7.259 -9.138 3.835 1.00 0.00 C ATOM 155 C GLY A 9 6.411 -9.667 2.675 1.00 0.00 C ATOM 156 O GLY A 9 6.893 -10.492 1.904 1.00 0.00 O ATOM 0 H GLY A 9 6.470 -7.261 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.146 -8.646 3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.605 -9.978 4.438 1.00 0.00 H new ATOM 160 N GLU A 10 5.159 -9.207 2.540 1.00 0.00 N ATOM 161 CA GLU A 10 4.283 -9.648 1.457 1.00 0.00 C ATOM 162 C GLU A 10 3.956 -8.486 0.512 1.00 0.00 C ATOM 163 O GLU A 10 4.476 -7.384 0.681 1.00 0.00 O ATOM 164 CB GLU A 10 3.020 -10.282 2.045 1.00 0.00 C ATOM 165 CG GLU A 10 3.363 -11.494 2.915 1.00 0.00 C ATOM 166 CD GLU A 10 2.100 -12.152 3.468 1.00 0.00 C ATOM 167 OE1 GLU A 10 1.313 -11.437 4.126 1.00 0.00 O ATOM 168 OE2 GLU A 10 1.933 -13.371 3.231 1.00 0.00 O ATOM 0 H GLU A 10 4.734 -8.528 3.172 1.00 0.00 H new ATOM 0 HA GLU A 10 4.796 -10.403 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.483 -9.544 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.353 -10.587 1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.927 -12.219 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.005 -11.183 3.739 1.00 0.00 H new ATOM 175 N SER A 11 3.095 -8.722 -0.489 1.00 0.00 N ATOM 176 CA SER A 11 2.880 -7.759 -1.565 1.00 0.00 C ATOM 177 C SER A 11 1.413 -7.624 -1.987 1.00 0.00 C ATOM 178 O SER A 11 0.556 -8.410 -1.585 1.00 0.00 O ATOM 179 CB SER A 11 3.718 -8.173 -2.776 1.00 0.00 C ATOM 180 OG SER A 11 5.081 -8.280 -2.421 1.00 0.00 O ATOM 0 H SER A 11 2.539 -9.573 -0.571 1.00 0.00 H new ATOM 0 HA SER A 11 3.184 -6.784 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.361 -9.127 -3.164 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.600 -7.441 -3.575 1.00 0.00 H new ATOM 0 HG SER A 11 5.603 -8.547 -3.206 1.00 0.00 H new ATOM 186 N ILE A 12 1.150 -6.601 -2.810 1.00 0.00 N ATOM 187 CA ILE A 12 -0.163 -6.232 -3.334 1.00 0.00 C ATOM 188 C ILE A 12 0.043 -5.709 -4.764 1.00 0.00 C ATOM 189 O ILE A 12 1.173 -5.416 -5.147 1.00 0.00 O ATOM 190 CB ILE A 12 -0.800 -5.176 -2.404 1.00 0.00 C ATOM 191 CG1 ILE A 12 -1.018 -5.776 -1.003 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.134 -4.652 -2.950 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.677 -4.790 -0.035 1.00 0.00 C ATOM 0 H ILE A 12 1.887 -5.980 -3.143 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.846 -7.081 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.110 -4.334 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.640 -6.667 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.059 -6.094 -0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.543 -3.912 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.972 -4.191 -3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.836 -5.480 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.807 -5.266 0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.044 -3.909 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.650 -4.492 -0.426 1.00 0.00 H new ATOM 205 N ASN A 13 -1.024 -5.580 -5.564 1.00 0.00 N ATOM 206 CA ASN A 13 -0.924 -5.181 -6.963 1.00 0.00 C ATOM 207 C ASN A 13 -2.005 -4.183 -7.365 1.00 0.00 C ATOM 208 O ASN A 13 -3.084 -4.136 -6.776 1.00 0.00 O ATOM 209 CB ASN A 13 -1.020 -6.422 -7.849 1.00 0.00 C ATOM 210 CG ASN A 13 0.319 -7.132 -7.931 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.543 -8.129 -7.254 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.219 -6.621 -8.764 1.00 0.00 N ATOM 0 H ASN A 13 -1.980 -5.751 -5.253 1.00 0.00 H new ATOM 0 HA ASN A 13 0.038 -4.687 -7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.773 -7.102 -7.450 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.347 -6.136 -8.849 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.135 -7.060 -8.857 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.994 -5.790 -9.310 1.00 0.00 H new ATOM 219 N ILE A 14 -1.696 -3.377 -8.387 1.00 0.00 N ATOM 220 CA ILE A 14 -2.592 -2.373 -8.935 1.00 0.00 C ATOM 221 C ILE A 14 -2.402 -2.349 -10.449 1.00 0.00 C ATOM 222 O ILE A 14 -1.283 -2.512 -10.941 1.00 0.00 O ATOM 223 CB ILE A 14 -2.285 -0.994 -8.326 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.381 -1.049 -6.793 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.264 0.044 -8.881 1.00 0.00 C ATOM 226 CD1 ILE A 14 -2.071 0.292 -6.135 1.00 0.00 C ATOM 0 H ILE A 14 -0.794 -3.412 -8.861 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.627 -2.616 -8.694 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.268 -0.707 -8.596 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.384 -1.366 -6.507 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.689 -1.802 -6.417 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.044 1.020 -8.448 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.162 0.097 -9.965 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.284 -0.245 -8.626 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.154 0.194 -5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.058 0.599 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.779 1.042 -6.487 1.00 0.00 H new ATOM 238 N GLY A 15 -3.494 -2.143 -11.192 1.00 0.00 N ATOM 239 CA GLY A 15 -3.456 -2.145 -12.644 1.00 0.00 C ATOM 240 C GLY A 15 -2.825 -3.436 -13.160 1.00 0.00 C ATOM 241 O GLY A 15 -3.053 -4.512 -12.607 1.00 0.00 O ATOM 0 H GLY A 15 -4.420 -1.972 -10.800 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.466 -2.043 -13.040 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.886 -1.287 -13.000 1.00 0.00 H new ATOM 245 N ASP A 16 -2.033 -3.319 -14.224 1.00 0.00 N ATOM 246 CA ASP A 16 -1.293 -4.432 -14.799 1.00 0.00 C ATOM 247 C ASP A 16 0.173 -4.040 -14.994 1.00 0.00 C ATOM 248 O ASP A 16 0.923 -4.732 -15.681 1.00 0.00 O ATOM 249 CB ASP A 16 -1.957 -4.903 -16.096 1.00 0.00 C ATOM 250 CG ASP A 16 -1.919 -3.845 -17.198 1.00 0.00 C ATOM 251 OD1 ASP A 16 -2.560 -2.787 -17.011 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.248 -4.107 -18.221 1.00 0.00 O ATOM 0 H ASP A 16 -1.888 -2.436 -14.714 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.312 -5.278 -14.112 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.457 -5.806 -16.448 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.993 -5.171 -15.892 1.00 0.00 H new ATOM 257 N ASP A 17 0.577 -2.918 -14.382 1.00 0.00 N ATOM 258 CA ASP A 17 1.928 -2.389 -14.480 1.00 0.00 C ATOM 259 C ASP A 17 2.440 -1.876 -13.128 1.00 0.00 C ATOM 260 O ASP A 17 3.517 -1.286 -13.080 1.00 0.00 O ATOM 261 CB ASP A 17 1.974 -1.258 -15.510 1.00 0.00 C ATOM 262 CG ASP A 17 1.693 -1.749 -16.929 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.526 -2.521 -17.450 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.645 -1.344 -17.483 1.00 0.00 O ATOM 0 H ASP A 17 -0.040 -2.351 -13.800 1.00 0.00 H new ATOM 0 HA ASP A 17 2.578 -3.205 -14.797 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.243 -0.496 -15.241 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.955 -0.783 -15.480 1.00 0.00 H new ATOM 269 N ILE A 18 1.694 -2.084 -12.033 1.00 0.00 N ATOM 270 CA ILE A 18 2.123 -1.593 -10.730 1.00 0.00 C ATOM 271 C ILE A 18 2.053 -2.709 -9.691 1.00 0.00 C ATOM 272 O ILE A 18 1.183 -3.578 -9.738 1.00 0.00 O ATOM 273 CB ILE A 18 1.277 -0.380 -10.299 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.339 0.776 -11.305 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.775 0.147 -8.949 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.243 0.661 -12.361 1.00 0.00 C ATOM 0 H ILE A 18 0.804 -2.582 -12.030 1.00 0.00 H new ATOM 0 HA ILE A 18 3.160 -1.266 -10.807 1.00 0.00 H new ATOM 0 HB ILE A 18 0.246 -0.730 -10.237 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.238 1.724 -10.777 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.314 0.784 -11.791 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.173 1.005 -8.649 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.688 -0.638 -8.198 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.818 0.449 -9.039 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.318 1.497 -13.056 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.360 -0.276 -12.906 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.733 0.679 -11.876 1.00 0.00 H new ATOM 288 N THR A 19 2.988 -2.669 -8.739 1.00 0.00 N ATOM 289 CA THR A 19 3.060 -3.602 -7.626 1.00 0.00 C ATOM 290 C THR A 19 3.409 -2.816 -6.368 1.00 0.00 C ATOM 291 O THR A 19 4.009 -1.745 -6.451 1.00 0.00 O ATOM 292 CB THR A 19 4.119 -4.673 -7.923 1.00 0.00 C ATOM 293 OG1 THR A 19 3.846 -5.295 -9.157 1.00 0.00 O ATOM 294 CG2 THR A 19 4.149 -5.754 -6.846 1.00 0.00 C ATOM 0 H THR A 19 3.730 -1.969 -8.726 1.00 0.00 H new ATOM 0 HA THR A 19 2.105 -4.107 -7.480 1.00 0.00 H new ATOM 0 HB THR A 19 5.084 -4.168 -7.949 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.528 -5.975 -9.338 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.911 -6.493 -7.093 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.382 -5.301 -5.882 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.175 -6.241 -6.792 1.00 0.00 H new ATOM 302 N ILE A 20 3.032 -3.346 -5.204 1.00 0.00 N ATOM 303 CA ILE A 20 3.209 -2.690 -3.918 1.00 0.00 C ATOM 304 C ILE A 20 3.754 -3.719 -2.934 1.00 0.00 C ATOM 305 O ILE A 20 3.450 -4.908 -3.051 1.00 0.00 O ATOM 306 CB ILE A 20 1.855 -2.162 -3.424 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.165 -1.239 -4.438 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.005 -1.436 -2.085 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.912 0.079 -4.646 1.00 0.00 C ATOM 0 H ILE A 20 2.587 -4.261 -5.133 1.00 0.00 H new ATOM 0 HA ILE A 20 3.901 -1.853 -4.007 1.00 0.00 H new ATOM 0 HB ILE A 20 1.220 -3.038 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.079 -1.757 -5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.151 -1.027 -4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.031 -1.072 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.404 -2.125 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.687 -0.594 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.377 0.690 -5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.975 0.615 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.917 -0.127 -5.014 1.00 0.00 H new ATOM 321 N THR A 21 4.554 -3.271 -1.966 1.00 0.00 N ATOM 322 CA THR A 21 5.152 -4.160 -0.980 1.00 0.00 C ATOM 323 C THR A 21 5.132 -3.500 0.395 1.00 0.00 C ATOM 324 O THR A 21 5.192 -2.277 0.504 1.00 0.00 O ATOM 325 CB THR A 21 6.596 -4.474 -1.397 1.00 0.00 C ATOM 326 OG1 THR A 21 6.628 -4.882 -2.748 1.00 0.00 O ATOM 327 CG2 THR A 21 7.192 -5.598 -0.547 1.00 0.00 C ATOM 0 H THR A 21 4.802 -2.289 -1.847 1.00 0.00 H new ATOM 0 HA THR A 21 4.581 -5.087 -0.928 1.00 0.00 H new ATOM 0 HB THR A 21 7.182 -3.566 -1.253 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.552 -5.079 -3.008 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.215 -5.795 -0.869 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.193 -5.300 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.594 -6.501 -0.667 1.00 0.00 H new ATOM 335 N ILE A 22 5.046 -4.319 1.445 1.00 0.00 N ATOM 336 CA ILE A 22 5.048 -3.851 2.823 1.00 0.00 C ATOM 337 C ILE A 22 6.356 -4.294 3.475 1.00 0.00 C ATOM 338 O ILE A 22 6.459 -5.379 4.045 1.00 0.00 O ATOM 339 CB ILE A 22 3.778 -4.321 3.552 1.00 0.00 C ATOM 340 CG1 ILE A 22 3.824 -4.046 5.053 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.502 -5.810 3.347 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.080 -2.570 5.350 1.00 0.00 C ATOM 0 H ILE A 22 4.973 -5.333 1.357 1.00 0.00 H new ATOM 0 HA ILE A 22 5.013 -2.763 2.877 1.00 0.00 H new ATOM 0 HB ILE A 22 2.973 -3.738 3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.881 -4.350 5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.608 -4.650 5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.595 -6.089 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.373 -6.013 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.342 -6.391 3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.106 -2.415 6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.035 -2.272 4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.282 -1.968 4.916 1.00 0.00 H new ATOM 354 N LEU A 23 7.364 -3.427 3.373 1.00 0.00 N ATOM 355 CA LEU A 23 8.715 -3.739 3.815 1.00 0.00 C ATOM 356 C LEU A 23 8.774 -3.931 5.330 1.00 0.00 C ATOM 357 O LEU A 23 9.548 -4.756 5.814 1.00 0.00 O ATOM 358 CB LEU A 23 9.658 -2.616 3.381 1.00 0.00 C ATOM 359 CG LEU A 23 9.517 -2.271 1.892 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.496 -1.161 1.532 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.811 -3.473 1.001 1.00 0.00 C ATOM 0 H LEU A 23 7.263 -2.491 2.981 1.00 0.00 H new ATOM 0 HA LEU A 23 9.026 -4.677 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.456 -1.726 3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.687 -2.911 3.586 1.00 0.00 H new ATOM 0 HG LEU A 23 8.487 -1.955 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.396 -0.916 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.280 -0.277 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.514 -1.495 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.700 -3.186 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.831 -3.816 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.113 -4.277 1.233 1.00 0.00 H new ATOM 373 N GLY A 24 7.964 -3.183 6.089 1.00 0.00 N ATOM 374 CA GLY A 24 7.873 -3.404 7.529 1.00 0.00 C ATOM 375 C GLY A 24 7.284 -2.214 8.281 1.00 0.00 C ATOM 376 O GLY A 24 6.833 -1.252 7.664 1.00 0.00 O ATOM 0 H GLY A 24 7.373 -2.432 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.259 -4.285 7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.867 -3.618 7.921 1.00 0.00 H new ATOM 380 N VAL A 25 7.290 -2.285 9.617 1.00 0.00 N ATOM 381 CA VAL A 25 6.779 -1.212 10.469 1.00 0.00 C ATOM 382 C VAL A 25 7.723 -0.959 11.643 1.00 0.00 C ATOM 383 O VAL A 25 8.552 -1.806 11.980 1.00 0.00 O ATOM 384 CB VAL A 25 5.367 -1.536 10.996 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.480 -2.123 9.895 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.399 -2.521 12.165 1.00 0.00 C ATOM 0 H VAL A 25 7.649 -3.087 10.134 1.00 0.00 H new ATOM 0 HA VAL A 25 6.719 -0.311 9.858 1.00 0.00 H new ATOM 0 HB VAL A 25 4.953 -0.588 11.340 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.492 -2.340 10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.388 -1.405 9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.928 -3.043 9.519 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.381 -2.719 12.502 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.862 -3.454 11.842 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.976 -2.094 12.985 1.00 0.00 H new ATOM 396 N SER A 26 7.584 0.216 12.265 1.00 0.00 N ATOM 397 CA SER A 26 8.344 0.618 13.441 1.00 0.00 C ATOM 398 C SER A 26 7.473 1.569 14.248 1.00 0.00 C ATOM 399 O SER A 26 7.280 2.715 13.843 1.00 0.00 O ATOM 400 CB SER A 26 9.637 1.326 13.032 1.00 0.00 C ATOM 401 OG SER A 26 10.474 0.464 12.291 1.00 0.00 O ATOM 0 H SER A 26 6.923 0.927 11.953 1.00 0.00 H new ATOM 0 HA SER A 26 8.613 -0.259 14.029 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.400 2.208 12.437 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.163 1.673 13.922 1.00 0.00 H new ATOM 0 HG SER A 26 11.293 0.940 12.040 1.00 0.00 H new ATOM 407 N GLY A 27 6.944 1.115 15.385 1.00 0.00 N ATOM 408 CA GLY A 27 5.968 1.893 16.124 1.00 0.00 C ATOM 409 C GLY A 27 4.700 1.998 15.292 1.00 0.00 C ATOM 410 O GLY A 27 3.930 1.038 15.223 1.00 0.00 O ATOM 0 H GLY A 27 7.178 0.216 15.807 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.754 1.419 17.082 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.362 2.886 16.341 1.00 0.00 H new ATOM 414 N GLN A 28 4.490 3.155 14.666 1.00 0.00 N ATOM 415 CA GLN A 28 3.383 3.370 13.740 1.00 0.00 C ATOM 416 C GLN A 28 3.906 3.749 12.363 1.00 0.00 C ATOM 417 O GLN A 28 3.109 3.977 11.451 1.00 0.00 O ATOM 418 CB GLN A 28 2.458 4.479 14.238 1.00 0.00 C ATOM 419 CG GLN A 28 1.714 4.170 15.537 1.00 0.00 C ATOM 420 CD GLN A 28 0.770 2.972 15.424 1.00 0.00 C ATOM 421 OE1 GLN A 28 -0.449 3.131 15.414 1.00 0.00 O ATOM 422 NE2 GLN A 28 1.309 1.763 15.335 1.00 0.00 N ATOM 0 H GLN A 28 5.087 3.973 14.789 1.00 0.00 H new ATOM 0 HA GLN A 28 2.823 2.437 13.678 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.047 5.385 14.382 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.725 4.696 13.461 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.440 3.978 16.327 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.142 5.048 15.837 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.323 1.655 15.345 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.709 0.942 15.256 1.00 0.00 H new ATOM 431 N GLN A 29 5.230 3.819 12.201 1.00 0.00 N ATOM 432 CA GLN A 29 5.821 4.048 10.893 1.00 0.00 C ATOM 433 C GLN A 29 5.700 2.778 10.073 1.00 0.00 C ATOM 434 O GLN A 29 5.617 1.682 10.623 1.00 0.00 O ATOM 435 CB GLN A 29 7.293 4.444 11.013 1.00 0.00 C ATOM 436 CG GLN A 29 7.389 5.881 11.514 1.00 0.00 C ATOM 437 CD GLN A 29 8.810 6.294 11.847 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.796 5.652 11.226 1.00 0.00 O flip ATOM 439 NE2 GLN A 29 9.010 7.188 12.659 1.00 0.00 N flip ATOM 0 H GLN A 29 5.905 3.720 12.959 1.00 0.00 H new ATOM 0 HA GLN A 29 5.291 4.867 10.406 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.807 3.772 11.700 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.787 4.350 10.046 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.989 6.553 10.755 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.765 5.994 12.401 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.222 7.652 13.111 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.965 7.469 12.884 1.00 0.00 H new ATOM 448 N VAL A 30 5.690 2.936 8.752 1.00 0.00 N ATOM 449 CA VAL A 30 5.574 1.818 7.845 1.00 0.00 C ATOM 450 C VAL A 30 6.461 2.096 6.642 1.00 0.00 C ATOM 451 O VAL A 30 6.254 3.091 5.945 1.00 0.00 O ATOM 452 CB VAL A 30 4.114 1.664 7.400 1.00 0.00 C ATOM 453 CG1 VAL A 30 3.977 0.419 6.534 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.166 1.520 8.593 1.00 0.00 C ATOM 0 H VAL A 30 5.762 3.843 8.290 1.00 0.00 H new ATOM 0 HA VAL A 30 5.884 0.895 8.334 1.00 0.00 H new ATOM 0 HB VAL A 30 3.845 2.563 6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.940 0.308 6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.616 0.514 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.277 -0.458 7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.142 1.413 8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.441 0.638 9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.239 2.406 9.224 1.00 0.00 H new ATOM 464 N ARG A 31 7.448 1.229 6.396 1.00 0.00 N ATOM 465 CA ARG A 31 8.198 1.280 5.155 1.00 0.00 C ATOM 466 C ARG A 31 7.357 0.575 4.110 1.00 0.00 C ATOM 467 O ARG A 31 7.032 -0.605 4.258 1.00 0.00 O ATOM 468 CB ARG A 31 9.549 0.575 5.271 1.00 0.00 C ATOM 469 CG ARG A 31 10.646 1.487 5.820 1.00 0.00 C ATOM 470 CD ARG A 31 11.989 0.792 5.581 1.00 0.00 C ATOM 471 NE ARG A 31 13.108 1.557 6.141 1.00 0.00 N ATOM 472 CZ ARG A 31 13.419 1.616 7.439 1.00 0.00 C ATOM 473 NH1 ARG A 31 12.718 0.936 8.343 1.00 0.00 N ATOM 474 NH2 ARG A 31 14.439 2.365 7.841 1.00 0.00 N ATOM 0 H ARG A 31 7.738 0.492 7.039 1.00 0.00 H new ATOM 0 HA ARG A 31 8.401 2.319 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.446 -0.294 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.847 0.206 4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.623 2.456 5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.494 1.671 6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.968 -0.202 6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.142 0.656 4.510 1.00 0.00 H new ATOM 0 HE ARG A 31 13.692 2.083 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.930 0.359 8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.969 0.992 9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.983 2.894 7.159 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.678 2.412 8.831 1.00 0.00 H new ATOM 488 N ILE A 32 7.014 1.311 3.055 1.00 0.00 N ATOM 489 CA ILE A 32 6.199 0.809 1.967 1.00 0.00 C ATOM 490 C ILE A 32 7.021 0.926 0.693 1.00 0.00 C ATOM 491 O ILE A 32 7.734 1.911 0.508 1.00 0.00 O ATOM 492 CB ILE A 32 4.912 1.636 1.862 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.276 1.816 3.244 1.00 0.00 C ATOM 494 CG2 ILE A 32 3.946 0.949 0.888 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.945 2.562 3.179 1.00 0.00 C ATOM 0 H ILE A 32 7.301 2.283 2.937 1.00 0.00 H new ATOM 0 HA ILE A 32 5.915 -0.230 2.135 1.00 0.00 H new ATOM 0 HB ILE A 32 5.147 2.629 1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.120 0.838 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.964 2.362 3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.030 1.534 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.412 0.874 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.709 -0.050 1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.535 2.664 4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.103 3.551 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.245 2.004 2.557 1.00 0.00 H new ATOM 507 N GLY A 33 6.924 -0.075 -0.180 1.00 0.00 N ATOM 508 CA GLY A 33 7.668 -0.098 -1.424 1.00 0.00 C ATOM 509 C GLY A 33 6.697 -0.125 -2.590 1.00 0.00 C ATOM 510 O GLY A 33 5.591 -0.652 -2.469 1.00 0.00 O ATOM 0 H GLY A 33 6.326 -0.889 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.311 0.779 -1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.317 -0.973 -1.456 1.00 0.00 H new ATOM 514 N ILE A 34 7.110 0.446 -3.719 1.00 0.00 N ATOM 515 CA ILE A 34 6.276 0.504 -4.903 1.00 0.00 C ATOM 516 C ILE A 34 7.141 0.173 -6.110 1.00 0.00 C ATOM 517 O ILE A 34 8.323 0.516 -6.145 1.00 0.00 O ATOM 518 CB ILE A 34 5.647 1.901 -5.023 1.00 0.00 C ATOM 519 CG1 ILE A 34 4.836 2.211 -3.753 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.763 1.962 -6.274 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.283 3.632 -3.745 1.00 0.00 C ATOM 0 H ILE A 34 8.027 0.877 -3.833 1.00 0.00 H new ATOM 0 HA ILE A 34 5.462 -0.218 -4.843 1.00 0.00 H new ATOM 0 HB ILE A 34 6.430 2.653 -5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.011 1.503 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.469 2.066 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.318 2.954 -6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.369 1.761 -7.158 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.973 1.215 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.719 3.798 -2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.107 4.343 -3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.627 3.772 -4.604 1.00 0.00 H new ATOM 533 N ASN A 35 6.555 -0.504 -7.096 1.00 0.00 N ATOM 534 CA ASN A 35 7.272 -0.919 -8.286 1.00 0.00 C ATOM 535 C ASN A 35 6.398 -0.637 -9.504 1.00 0.00 C ATOM 536 O ASN A 35 5.434 -1.351 -9.769 1.00 0.00 O ATOM 537 CB ASN A 35 7.636 -2.398 -8.164 1.00 0.00 C ATOM 538 CG ASN A 35 8.607 -2.851 -9.250 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.900 -2.117 -10.188 1.00 0.00 O ATOM 540 ND2 ASN A 35 9.110 -4.072 -9.124 1.00 0.00 N ATOM 0 H ASN A 35 5.572 -0.777 -7.087 1.00 0.00 H new ATOM 0 HA ASN A 35 8.202 -0.362 -8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.080 -2.580 -7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.728 -2.998 -8.219 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.764 -4.429 -9.821 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.843 -4.654 -8.330 1.00 0.00 H new ATOM 547 N ALA A 36 6.752 0.421 -10.232 1.00 0.00 N ATOM 548 CA ALA A 36 6.017 0.882 -11.396 1.00 0.00 C ATOM 549 C ALA A 36 6.995 1.437 -12.434 1.00 0.00 C ATOM 550 O ALA A 36 8.093 1.860 -12.077 1.00 0.00 O ATOM 551 CB ALA A 36 5.038 1.969 -10.934 1.00 0.00 C ATOM 0 H ALA A 36 7.573 0.988 -10.021 1.00 0.00 H new ATOM 0 HA ALA A 36 5.466 0.063 -11.858 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.471 2.335 -11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.353 1.552 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.594 2.794 -10.488 1.00 0.00 H new ATOM 557 N PRO A 37 6.613 1.447 -13.715 1.00 0.00 N ATOM 558 CA PRO A 37 7.418 2.020 -14.776 1.00 0.00 C ATOM 559 C PRO A 37 7.448 3.539 -14.656 1.00 0.00 C ATOM 560 O PRO A 37 6.494 4.140 -14.158 1.00 0.00 O ATOM 561 CB PRO A 37 6.726 1.596 -16.072 1.00 0.00 C ATOM 562 CG PRO A 37 5.264 1.413 -15.664 1.00 0.00 C ATOM 563 CD PRO A 37 5.374 0.899 -14.231 1.00 0.00 C ATOM 0 HA PRO A 37 8.453 1.680 -14.737 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.832 2.354 -16.848 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.149 0.673 -16.468 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.709 2.350 -15.716 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.750 0.702 -16.310 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.523 1.222 -13.632 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.386 -0.191 -14.205 1.00 0.00 H new ATOM 571 N LYS A 38 8.531 4.168 -15.117 1.00 0.00 N ATOM 572 CA LYS A 38 8.623 5.627 -15.142 1.00 0.00 C ATOM 573 C LYS A 38 7.585 6.218 -16.101 1.00 0.00 C ATOM 574 O LYS A 38 7.483 7.436 -16.232 1.00 0.00 O ATOM 575 CB LYS A 38 10.046 6.048 -15.520 1.00 0.00 C ATOM 576 CG LYS A 38 11.043 5.688 -14.407 1.00 0.00 C ATOM 577 CD LYS A 38 10.906 6.568 -13.158 1.00 0.00 C ATOM 578 CE LYS A 38 11.759 7.839 -13.254 1.00 0.00 C ATOM 579 NZ LYS A 38 11.283 8.762 -14.303 1.00 0.00 N ATOM 0 H LYS A 38 9.356 3.689 -15.478 1.00 0.00 H new ATOM 0 HA LYS A 38 8.404 6.018 -14.149 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.339 5.557 -16.448 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.074 7.122 -15.704 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.900 4.645 -14.125 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.058 5.777 -14.796 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.860 6.843 -13.021 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.203 5.997 -12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.750 8.352 -12.292 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.794 7.564 -13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.649 9.717 -14.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.620 8.436 -15.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.243 8.784 -14.301 1.00 0.00 H new ATOM 593 N ASP A 39 6.815 5.351 -16.769 1.00 0.00 N ATOM 594 CA ASP A 39 5.694 5.739 -17.609 1.00 0.00 C ATOM 595 C ASP A 39 4.544 6.298 -16.763 1.00 0.00 C ATOM 596 O ASP A 39 3.593 6.860 -17.305 1.00 0.00 O ATOM 597 CB ASP A 39 5.226 4.509 -18.386 1.00 0.00 C ATOM 598 CG ASP A 39 4.233 4.879 -19.484 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.623 5.672 -20.369 1.00 0.00 O ATOM 600 OD2 ASP A 39 3.095 4.362 -19.428 1.00 0.00 O ATOM 0 H ASP A 39 6.963 4.342 -16.735 1.00 0.00 H new ATOM 0 HA ASP A 39 6.010 6.523 -18.298 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.087 4.008 -18.828 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.763 3.800 -17.700 1.00 0.00 H new ATOM 605 N VAL A 40 4.635 6.140 -15.437 1.00 0.00 N ATOM 606 CA VAL A 40 3.634 6.627 -14.495 1.00 0.00 C ATOM 607 C VAL A 40 4.331 7.236 -13.279 1.00 0.00 C ATOM 608 O VAL A 40 5.503 6.956 -13.016 1.00 0.00 O ATOM 609 CB VAL A 40 2.682 5.498 -14.062 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.048 4.818 -15.277 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.393 4.427 -13.234 1.00 0.00 C ATOM 0 H VAL A 40 5.417 5.664 -14.988 1.00 0.00 H new ATOM 0 HA VAL A 40 3.035 7.392 -14.988 1.00 0.00 H new ATOM 0 HB VAL A 40 1.914 5.970 -13.449 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.380 4.024 -14.942 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.481 5.552 -15.850 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.830 4.393 -15.905 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.680 3.652 -12.952 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.196 3.984 -13.824 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.811 4.880 -12.335 1.00 0.00 H new ATOM 621 N ALA A 41 3.606 8.071 -12.531 1.00 0.00 N ATOM 622 CA ALA A 41 4.166 8.781 -11.395 1.00 0.00 C ATOM 623 C ALA A 41 3.809 8.087 -10.082 1.00 0.00 C ATOM 624 O ALA A 41 2.827 7.353 -10.004 1.00 0.00 O ATOM 625 CB ALA A 41 3.619 10.206 -11.406 1.00 0.00 C ATOM 0 H ALA A 41 2.620 8.269 -12.700 1.00 0.00 H new ATOM 0 HA ALA A 41 5.253 8.792 -11.473 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.027 10.759 -10.560 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.907 10.699 -12.334 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.532 10.179 -11.332 1.00 0.00 H new ATOM 631 N VAL A 42 4.615 8.325 -9.046 1.00 0.00 N ATOM 632 CA VAL A 42 4.324 7.857 -7.697 1.00 0.00 C ATOM 633 C VAL A 42 5.005 8.778 -6.686 1.00 0.00 C ATOM 634 O VAL A 42 6.173 9.117 -6.864 1.00 0.00 O ATOM 635 CB VAL A 42 4.779 6.397 -7.548 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.211 6.174 -8.028 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.700 5.920 -6.105 1.00 0.00 C ATOM 0 H VAL A 42 5.487 8.848 -9.122 1.00 0.00 H new ATOM 0 HA VAL A 42 3.251 7.887 -7.507 1.00 0.00 H new ATOM 0 HB VAL A 42 4.092 5.826 -8.173 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.479 5.125 -7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.287 6.441 -9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.891 6.796 -7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.031 4.883 -6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.342 6.542 -5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.671 5.993 -5.753 1.00 0.00 H new ATOM 647 N HIS A 43 4.289 9.187 -5.631 1.00 0.00 N ATOM 648 CA HIS A 43 4.840 10.109 -4.646 1.00 0.00 C ATOM 649 C HIS A 43 4.128 10.019 -3.305 1.00 0.00 C ATOM 650 O HIS A 43 3.042 9.452 -3.206 1.00 0.00 O ATOM 651 CB HIS A 43 4.645 11.554 -5.116 1.00 0.00 C ATOM 652 CG HIS A 43 5.083 11.825 -6.523 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.390 12.092 -6.930 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.245 11.852 -7.598 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.307 12.276 -8.257 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.037 12.139 -8.686 1.00 0.00 N ATOM 0 H HIS A 43 3.331 8.892 -5.443 1.00 0.00 H new ATOM 0 HA HIS A 43 5.890 9.838 -4.537 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.590 11.811 -5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.194 12.216 -4.446 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.226 12.137 -6.347 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.178 11.683 -7.596 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.147 12.504 -8.896 1.00 0.00 H new ATOM 664 N ARG A 44 4.751 10.585 -2.267 1.00 0.00 N ATOM 665 CA ARG A 44 4.107 10.783 -0.977 1.00 0.00 C ATOM 666 C ARG A 44 2.994 11.808 -1.176 1.00 0.00 C ATOM 667 O ARG A 44 3.092 12.650 -2.066 1.00 0.00 O ATOM 668 CB ARG A 44 5.179 11.283 0.001 1.00 0.00 C ATOM 669 CG ARG A 44 4.727 11.345 1.464 1.00 0.00 C ATOM 670 CD ARG A 44 4.384 9.958 2.009 1.00 0.00 C ATOM 671 NE ARG A 44 4.560 9.914 3.465 1.00 0.00 N ATOM 672 CZ ARG A 44 3.758 10.492 4.363 1.00 0.00 C ATOM 673 NH1 ARG A 44 2.629 11.099 4.006 1.00 0.00 N ATOM 674 NH2 ARG A 44 4.084 10.463 5.649 1.00 0.00 N ATOM 0 H ARG A 44 5.715 10.917 -2.303 1.00 0.00 H new ATOM 0 HA ARG A 44 3.670 9.869 -0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.049 10.631 -0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.500 12.277 -0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.516 11.789 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.856 11.995 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.354 9.706 1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.021 9.209 1.538 1.00 0.00 H new ATOM 0 HE ARG A 44 5.364 9.398 3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.356 11.132 3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.037 11.532 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.943 10.001 5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.475 10.903 6.339 1.00 0.00 H new ATOM 688 N GLU A 45 1.936 11.758 -0.367 1.00 0.00 N ATOM 689 CA GLU A 45 0.802 12.660 -0.532 1.00 0.00 C ATOM 690 C GLU A 45 1.204 14.132 -0.379 1.00 0.00 C ATOM 691 O GLU A 45 0.519 15.007 -0.903 1.00 0.00 O ATOM 692 CB GLU A 45 -0.290 12.231 0.454 1.00 0.00 C ATOM 693 CG GLU A 45 -1.641 12.917 0.210 1.00 0.00 C ATOM 694 CD GLU A 45 -1.779 14.266 0.921 1.00 0.00 C ATOM 695 OE1 GLU A 45 -0.907 14.598 1.753 1.00 0.00 O ATOM 696 OE2 GLU A 45 -2.775 14.960 0.618 1.00 0.00 O ATOM 0 H GLU A 45 1.843 11.102 0.408 1.00 0.00 H new ATOM 0 HA GLU A 45 0.414 12.587 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.423 11.151 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.042 12.451 1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.776 13.065 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.441 12.256 0.544 1.00 0.00 H new ATOM 703 N GLU A 46 2.308 14.422 0.323 1.00 0.00 N ATOM 704 CA GLU A 46 2.786 15.794 0.485 1.00 0.00 C ATOM 705 C GLU A 46 3.649 16.241 -0.700 1.00 0.00 C ATOM 706 O GLU A 46 3.953 17.426 -0.827 1.00 0.00 O ATOM 707 CB GLU A 46 3.564 15.926 1.799 1.00 0.00 C ATOM 708 CG GLU A 46 4.897 15.176 1.764 1.00 0.00 C ATOM 709 CD GLU A 46 5.647 15.322 3.086 1.00 0.00 C ATOM 710 OE1 GLU A 46 6.369 16.333 3.238 1.00 0.00 O ATOM 711 OE2 GLU A 46 5.495 14.419 3.937 1.00 0.00 O ATOM 0 H GLU A 46 2.885 13.720 0.787 1.00 0.00 H new ATOM 0 HA GLU A 46 1.916 16.450 0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.749 16.980 2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.956 15.543 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.718 14.121 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.512 15.559 0.950 1.00 0.00 H new ATOM 718 N ILE A 47 4.042 15.298 -1.564 1.00 0.00 N ATOM 719 CA ILE A 47 4.858 15.566 -2.741 1.00 0.00 C ATOM 720 C ILE A 47 3.991 15.528 -3.990 1.00 0.00 C ATOM 721 O ILE A 47 4.222 16.291 -4.926 1.00 0.00 O ATOM 722 CB ILE A 47 5.980 14.523 -2.814 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.932 14.663 -1.617 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.766 14.659 -4.120 1.00 0.00 C ATOM 725 CD1 ILE A 47 7.572 16.046 -1.509 1.00 0.00 C ATOM 0 H ILE A 47 3.795 14.314 -1.458 1.00 0.00 H new ATOM 0 HA ILE A 47 5.303 16.559 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 47 5.519 13.536 -2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.383 14.452 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.718 13.912 -1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.556 13.909 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.095 14.511 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.208 15.654 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.232 16.075 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.148 16.252 -2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.793 16.800 -1.397 1.00 0.00 H new ATOM 737 N TYR A 48 2.983 14.653 -4.034 1.00 0.00 N ATOM 738 CA TYR A 48 2.101 14.566 -5.185 1.00 0.00 C ATOM 739 C TYR A 48 1.441 15.911 -5.466 1.00 0.00 C ATOM 740 O TYR A 48 1.310 16.309 -6.621 1.00 0.00 O ATOM 741 CB TYR A 48 1.031 13.512 -4.919 1.00 0.00 C ATOM 742 CG TYR A 48 -0.140 13.609 -5.871 1.00 0.00 C ATOM 743 CD1 TYR A 48 0.064 13.580 -7.258 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.432 13.737 -5.350 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.027 13.701 -8.130 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.527 13.860 -6.211 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.329 13.844 -7.604 1.00 0.00 C ATOM 748 OH TYR A 48 -3.393 13.961 -8.445 1.00 0.00 O ATOM 0 H TYR A 48 2.763 13.998 -3.283 1.00 0.00 H new ATOM 0 HA TYR A 48 2.690 14.286 -6.058 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.477 12.521 -4.999 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.671 13.618 -3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.062 13.464 -7.655 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.584 13.741 -4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.872 13.685 -9.199 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.523 13.967 -5.807 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.100 13.805 -9.367 1.00 0.00 H new ATOM 758 N GLN A 49 1.022 16.620 -4.414 1.00 0.00 N ATOM 759 CA GLN A 49 0.383 17.918 -4.569 1.00 0.00 C ATOM 760 C GLN A 49 1.345 18.930 -5.183 1.00 0.00 C ATOM 761 O GLN A 49 0.909 19.937 -5.738 1.00 0.00 O ATOM 762 CB GLN A 49 -0.088 18.424 -3.209 1.00 0.00 C ATOM 763 CG GLN A 49 -1.140 17.495 -2.607 1.00 0.00 C ATOM 764 CD GLN A 49 -1.554 17.990 -1.227 1.00 0.00 C ATOM 765 OE1 GLN A 49 -2.285 18.969 -1.097 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.085 17.316 -0.181 1.00 0.00 N ATOM 0 H GLN A 49 1.117 16.311 -3.446 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.471 17.802 -5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.763 18.501 -2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.502 19.427 -3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.011 17.449 -3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.742 16.483 -2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.480 16.507 -0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.330 17.608 0.765 1.00 0.00 H new ATOM 775 N ARG A 50 2.651 18.664 -5.092 1.00 0.00 N ATOM 776 CA ARG A 50 3.669 19.553 -5.620 1.00 0.00 C ATOM 777 C ARG A 50 3.901 19.309 -7.108 1.00 0.00 C ATOM 778 O ARG A 50 4.113 20.267 -7.845 1.00 0.00 O ATOM 779 CB ARG A 50 4.955 19.363 -4.819 1.00 0.00 C ATOM 780 CG ARG A 50 5.975 20.425 -5.221 1.00 0.00 C ATOM 781 CD ARG A 50 7.231 20.246 -4.378 1.00 0.00 C ATOM 782 NE ARG A 50 6.989 20.602 -2.973 1.00 0.00 N ATOM 783 CZ ARG A 50 7.629 20.057 -1.933 1.00 0.00 C ATOM 784 NH1 ARG A 50 8.561 19.125 -2.112 1.00 0.00 N ATOM 785 NH2 ARG A 50 7.333 20.445 -0.698 1.00 0.00 N ATOM 0 H ARG A 50 3.024 17.824 -4.649 1.00 0.00 H new ATOM 0 HA ARG A 50 3.332 20.585 -5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.744 19.434 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.362 18.368 -4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.216 20.335 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.560 21.422 -5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.568 19.211 -4.440 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.032 20.867 -4.779 1.00 0.00 H new ATOM 0 HE ARG A 50 6.285 21.313 -2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.798 18.815 -3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.039 18.720 -1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.619 21.157 -0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.820 20.031 0.097 1.00 0.00 H new ATOM 799 N ILE A 51 3.864 18.053 -7.565 1.00 0.00 N ATOM 800 CA ILE A 51 3.993 17.768 -8.991 1.00 0.00 C ATOM 801 C ILE A 51 2.831 18.420 -9.744 1.00 0.00 C ATOM 802 O ILE A 51 2.898 18.615 -10.958 1.00 0.00 O ATOM 803 CB ILE A 51 4.084 16.250 -9.246 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.462 15.696 -8.857 1.00 0.00 C ATOM 805 CG2 ILE A 51 3.916 15.915 -10.732 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.656 15.612 -7.350 1.00 0.00 C ATOM 0 H ILE A 51 3.747 17.230 -6.974 1.00 0.00 H new ATOM 0 HA ILE A 51 4.922 18.196 -9.367 1.00 0.00 H new ATOM 0 HB ILE A 51 3.289 15.808 -8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.586 14.704 -9.291 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.238 16.331 -9.285 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.986 14.836 -10.872 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.942 16.263 -11.076 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.700 16.407 -11.307 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.647 15.214 -7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.561 16.607 -6.915 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.899 14.955 -6.922 1.00 0.00 H new ATOM 1635 N MET C 1 11.959 -0.090 -7.588 1.00 0.00 N ATOM 1636 CA MET C 1 11.438 0.062 -6.217 1.00 0.00 C ATOM 1637 C MET C 1 11.582 1.497 -5.745 1.00 0.00 C ATOM 1638 O MET C 1 12.656 2.072 -5.856 1.00 0.00 O ATOM 1639 CB MET C 1 12.196 -0.831 -5.233 1.00 0.00 C ATOM 1640 CG MET C 1 11.712 -0.601 -3.796 1.00 0.00 C ATOM 1641 SD MET C 1 10.079 -1.283 -3.448 1.00 0.00 S ATOM 1642 CE MET C 1 10.602 -2.988 -3.157 1.00 0.00 C ATOM 0 H1 MET C 1 11.851 -1.079 -7.893 1.00 0.00 H new ATOM 0 H2 MET C 1 11.428 0.530 -8.232 1.00 0.00 H new ATOM 0 H3 MET C 1 12.966 0.171 -7.608 1.00 0.00 H new ATOM 0 HA MET C 1 10.387 -0.226 -6.244 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.056 -1.877 -5.504 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.264 -0.625 -5.298 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.432 -1.042 -3.107 1.00 0.00 H new ATOM 0 HG3 MET C 1 11.696 0.471 -3.597 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.746 -3.581 -2.833 1.00 0.00 H new ATOM 0 HE2 MET C 1 11.006 -3.407 -4.079 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.370 -3.006 -2.383 1.00 0.00 H new ATOM 1654 N LEU C 2 10.502 2.077 -5.218 1.00 0.00 N ATOM 1655 CA LEU C 2 10.532 3.399 -4.625 1.00 0.00 C ATOM 1656 C LEU C 2 9.909 3.279 -3.235 1.00 0.00 C ATOM 1657 O LEU C 2 8.705 3.066 -3.104 1.00 0.00 O ATOM 1658 CB LEU C 2 9.791 4.367 -5.558 1.00 0.00 C ATOM 1659 CG LEU C 2 9.926 5.853 -5.205 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.683 6.305 -4.462 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.131 6.191 -4.325 1.00 0.00 C ATOM 0 H LEU C 2 9.583 1.635 -5.194 1.00 0.00 H new ATOM 0 HA LEU C 2 11.540 3.797 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.157 4.218 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.733 4.106 -5.559 1.00 0.00 H new ATOM 0 HG LEU C 2 10.063 6.366 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.774 7.361 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.807 6.158 -5.094 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.573 5.721 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.147 7.263 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.057 5.648 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.049 5.904 -4.838 1.00 0.00 H new ATOM 1673 N ILE C 3 10.743 3.407 -2.197 1.00 0.00 N ATOM 1674 CA ILE C 3 10.306 3.317 -0.813 1.00 0.00 C ATOM 1675 C ILE C 3 9.783 4.677 -0.361 1.00 0.00 C ATOM 1676 O ILE C 3 10.310 5.713 -0.760 1.00 0.00 O ATOM 1677 CB ILE C 3 11.454 2.886 0.114 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.911 1.443 -0.136 1.00 0.00 C ATOM 1679 CG2 ILE C 3 10.952 2.938 1.555 1.00 0.00 C ATOM 1680 CD1 ILE C 3 12.959 1.351 -1.239 1.00 0.00 C ATOM 0 H ILE C 3 11.743 3.577 -2.302 1.00 0.00 H new ATOM 0 HA ILE C 3 9.519 2.565 -0.754 1.00 0.00 H new ATOM 0 HB ILE C 3 12.290 3.559 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.320 1.029 0.786 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.049 0.833 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.752 2.635 2.230 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.640 3.954 1.795 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.105 2.261 1.670 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.250 0.310 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.543 1.739 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.834 1.938 -0.960 1.00 0.00 H new ATOM 1692 N LEU C 4 8.749 4.654 0.480 1.00 0.00 N ATOM 1693 CA LEU C 4 8.212 5.838 1.129 1.00 0.00 C ATOM 1694 C LEU C 4 7.798 5.446 2.545 1.00 0.00 C ATOM 1695 O LEU C 4 7.169 4.407 2.739 1.00 0.00 O ATOM 1696 CB LEU C 4 6.990 6.352 0.358 1.00 0.00 C ATOM 1697 CG LEU C 4 7.339 6.893 -1.032 1.00 0.00 C ATOM 1698 CD1 LEU C 4 6.053 7.251 -1.773 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.211 8.146 -0.941 1.00 0.00 C ATOM 0 H LEU C 4 8.257 3.796 0.730 1.00 0.00 H new ATOM 0 HA LEU C 4 8.962 6.629 1.152 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.266 5.543 0.255 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.508 7.140 0.937 1.00 0.00 H new ATOM 0 HG LEU C 4 7.891 6.119 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.299 7.636 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.432 6.361 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.510 8.011 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.440 8.504 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.677 8.922 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.138 7.907 -0.421 1.00 0.00 H new ATOM 1711 N THR C 5 8.145 6.272 3.534 1.00 0.00 N ATOM 1712 CA THR C 5 7.722 6.027 4.906 1.00 0.00 C ATOM 1713 C THR C 5 6.422 6.759 5.181 1.00 0.00 C ATOM 1714 O THR C 5 6.153 7.814 4.605 1.00 0.00 O ATOM 1715 CB THR C 5 8.784 6.477 5.914 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.244 7.775 5.608 1.00 0.00 O ATOM 1717 CG2 THR C 5 9.957 5.504 5.895 1.00 0.00 C ATOM 0 H THR C 5 8.714 7.109 3.408 1.00 0.00 H new ATOM 0 HA THR C 5 7.578 4.953 5.023 1.00 0.00 H new ATOM 0 HB THR C 5 8.334 6.490 6.907 1.00 0.00 H new ATOM 0 HG1 THR C 5 9.920 8.045 6.264 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.710 5.828 6.613 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.607 4.507 6.161 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.394 5.481 4.897 1.00 0.00 H new ATOM 1725 N ARG C 6 5.611 6.191 6.074 1.00 0.00 N ATOM 1726 CA ARG C 6 4.318 6.748 6.426 1.00 0.00 C ATOM 1727 C ARG C 6 4.003 6.416 7.880 1.00 0.00 C ATOM 1728 O ARG C 6 4.645 5.538 8.450 1.00 0.00 O ATOM 1729 CB ARG C 6 3.300 6.137 5.461 1.00 0.00 C ATOM 1730 CG ARG C 6 2.102 7.053 5.228 1.00 0.00 C ATOM 1731 CD ARG C 6 1.445 6.658 3.907 1.00 0.00 C ATOM 1732 NE ARG C 6 0.910 5.296 3.951 1.00 0.00 N ATOM 1733 CZ ARG C 6 0.246 4.705 2.950 1.00 0.00 C ATOM 1734 NH1 ARG C 6 -0.042 5.372 1.837 1.00 0.00 N ATOM 1735 NH2 ARG C 6 -0.138 3.434 3.047 1.00 0.00 N ATOM 0 H ARG C 6 5.839 5.330 6.571 1.00 0.00 H new ATOM 0 HA ARG C 6 4.297 7.834 6.339 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.786 5.928 4.508 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.953 5.183 5.858 1.00 0.00 H new ATOM 0 HG2 ARG C 6 1.390 6.962 6.048 1.00 0.00 H new ATOM 0 HG3 ARG C 6 2.421 8.095 5.197 1.00 0.00 H new ATOM 0 HD2 ARG C 6 0.641 7.357 3.678 1.00 0.00 H new ATOM 0 HD3 ARG C 6 2.174 6.736 3.101 1.00 0.00 H new ATOM 0 HE ARG C 6 1.054 4.759 4.806 1.00 0.00 H new ATOM 0 HH11 ARG C 6 0.243 6.346 1.738 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -0.548 4.910 1.082 1.00 0.00 H new ATOM 0 HH21 ARG C 6 0.073 2.900 3.890 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -0.643 2.994 2.278 1.00 0.00 H new ATOM 1749 N LYS C 7 3.026 7.104 8.477 1.00 0.00 N ATOM 1750 CA LYS C 7 2.559 6.833 9.838 1.00 0.00 C ATOM 1751 C LYS C 7 1.075 6.520 9.723 1.00 0.00 C ATOM 1752 O LYS C 7 0.416 7.054 8.828 1.00 0.00 O ATOM 1753 CB LYS C 7 2.780 8.069 10.724 1.00 0.00 C ATOM 1754 CG LYS C 7 3.182 7.778 12.174 1.00 0.00 C ATOM 1755 CD LYS C 7 4.636 7.324 12.312 1.00 0.00 C ATOM 1756 CE LYS C 7 5.075 7.316 13.779 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.006 8.658 14.380 1.00 0.00 N ATOM 0 H LYS C 7 2.532 7.873 8.024 1.00 0.00 H new ATOM 0 HA LYS C 7 3.102 6.004 10.292 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.553 8.688 10.268 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.863 8.658 10.731 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.029 8.675 12.775 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.527 7.007 12.579 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.750 6.326 11.890 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.283 7.988 11.739 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.441 6.632 14.344 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.095 6.938 13.851 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.634 8.700 15.208 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.306 9.367 13.681 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.029 8.856 14.677 1.00 0.00 H new ATOM 1771 N VAL C 8 0.527 5.671 10.596 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.892 5.341 10.485 1.00 0.00 C ATOM 1773 C VAL C 8 -1.724 6.622 10.459 1.00 0.00 C ATOM 1774 O VAL C 8 -1.560 7.494 11.314 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.347 4.370 11.579 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.444 3.136 11.590 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -1.352 4.983 12.974 1.00 0.00 C ATOM 0 H VAL C 8 1.024 5.215 11.361 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.050 4.816 9.543 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.376 4.103 11.336 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.774 2.451 12.371 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.498 2.637 10.622 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.585 3.440 11.785 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.685 4.239 13.697 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.345 5.313 13.230 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -2.030 5.836 12.994 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.619 6.740 9.476 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.466 7.913 9.318 1.00 0.00 C ATOM 1789 C GLY C 9 -3.053 8.794 8.136 1.00 0.00 C ATOM 1790 O GLY C 9 -3.665 9.839 7.924 1.00 0.00 O ATOM 0 H GLY C 9 -2.773 6.021 8.769 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.499 7.593 9.182 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.433 8.504 10.233 1.00 0.00 H new ATOM 1794 N GLU C 10 -2.035 8.399 7.363 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.572 9.189 6.222 1.00 0.00 C ATOM 1796 C GLU C 10 -1.748 8.450 4.887 1.00 0.00 C ATOM 1797 O GLU C 10 -2.374 7.390 4.842 1.00 0.00 O ATOM 1798 CB GLU C 10 -0.122 9.624 6.450 1.00 0.00 C ATOM 1799 CG GLU C 10 -0.025 10.586 7.633 1.00 0.00 C ATOM 1800 CD GLU C 10 1.405 11.096 7.790 1.00 0.00 C ATOM 1801 OE1 GLU C 10 1.911 11.692 6.811 1.00 0.00 O ATOM 1802 OE2 GLU C 10 1.984 10.884 8.881 1.00 0.00 O ATOM 0 H GLU C 10 -1.516 7.533 7.510 1.00 0.00 H new ATOM 0 HA GLU C 10 -2.196 10.080 6.150 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.500 8.749 6.635 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.264 10.105 5.551 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -0.703 11.426 7.483 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -0.340 10.082 8.546 1.00 0.00 H new ATOM 1809 N SER C 11 -1.196 9.005 3.802 1.00 0.00 N ATOM 1810 CA SER C 11 -1.478 8.544 2.444 1.00 0.00 C ATOM 1811 C SER C 11 -0.293 8.728 1.489 1.00 0.00 C ATOM 1812 O SER C 11 0.707 9.363 1.824 1.00 0.00 O ATOM 1813 CB SER C 11 -2.684 9.321 1.897 1.00 0.00 C ATOM 1814 OG SER C 11 -3.833 9.059 2.678 1.00 0.00 O ATOM 0 H SER C 11 -0.542 9.786 3.844 1.00 0.00 H new ATOM 0 HA SER C 11 -1.683 7.475 2.501 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.469 10.390 1.902 1.00 0.00 H new ATOM 0 HB3 SER C 11 -2.868 9.037 0.861 1.00 0.00 H new ATOM 0 HG SER C 11 -4.594 9.562 2.319 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.436 8.156 0.288 1.00 0.00 N ATOM 1821 CA ILE C 12 0.539 8.147 -0.809 1.00 0.00 C ATOM 1822 C ILE C 12 -0.256 8.219 -2.119 1.00 0.00 C ATOM 1823 O ILE C 12 -1.464 7.999 -2.114 1.00 0.00 O ATOM 1824 CB ILE C 12 1.380 6.856 -0.719 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.396 7.004 0.423 1.00 0.00 C ATOM 1826 CG2 ILE C 12 2.138 6.515 -2.001 1.00 0.00 C ATOM 1827 CD1 ILE C 12 3.192 5.726 0.684 1.00 0.00 C ATOM 0 H ILE C 12 -1.290 7.655 0.041 1.00 0.00 H new ATOM 0 HA ILE C 12 1.226 8.991 -0.757 1.00 0.00 H new ATOM 0 HB ILE C 12 0.677 6.042 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE C 12 3.086 7.813 0.185 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.871 7.291 1.334 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.704 5.595 -1.855 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.429 6.379 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.823 7.327 -2.246 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.893 5.894 1.502 1.00 0.00 H new ATOM 0 HD12 ILE C 12 2.509 4.920 0.952 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.743 5.451 -0.215 1.00 0.00 H new ATOM 1839 N ASN C 13 0.397 8.528 -3.244 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.284 8.682 -4.519 1.00 0.00 C ATOM 1841 C ASN C 13 0.406 7.882 -5.623 1.00 0.00 C ATOM 1842 O ASN C 13 1.605 7.624 -5.556 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.307 10.162 -4.903 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.451 10.448 -5.864 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.264 10.483 -7.074 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -2.650 10.649 -5.321 1.00 0.00 N ATOM 0 H ASN C 13 1.405 8.676 -3.289 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.300 8.302 -4.411 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -0.415 10.774 -4.008 1.00 0.00 H new ATOM 0 HB3 ASN C 13 0.641 10.438 -5.365 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.455 10.841 -5.918 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -2.764 10.611 -4.308 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.366 7.494 -6.644 1.00 0.00 N ATOM 1854 CA ILE C 14 0.129 6.756 -7.800 1.00 0.00 C ATOM 1855 C ILE C 14 -0.632 7.239 -9.035 1.00 0.00 C ATOM 1856 O ILE C 14 -1.837 7.486 -8.974 1.00 0.00 O ATOM 1857 CB ILE C 14 -0.069 5.244 -7.598 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.624 4.775 -6.312 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.490 4.488 -8.809 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.437 3.281 -6.060 1.00 0.00 C ATOM 0 H ILE C 14 -1.366 7.689 -6.686 1.00 0.00 H new ATOM 0 HA ILE C 14 1.197 6.934 -7.929 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.135 5.036 -7.504 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.689 4.999 -6.374 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.229 5.336 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.350 3.417 -8.666 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -0.035 4.805 -9.710 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.553 4.704 -8.914 1.00 0.00 H new ATOM 0 HD11 ILE C 14 0.947 3.001 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.626 3.058 -5.969 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.857 2.716 -6.893 1.00 0.00 H new ATOM 1872 N GLY C 15 0.074 7.374 -10.160 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.511 7.892 -11.383 1.00 0.00 C ATOM 1874 C GLY C 15 -1.141 9.257 -11.122 1.00 0.00 C ATOM 1875 O GLY C 15 -0.575 10.089 -10.417 1.00 0.00 O ATOM 0 H GLY C 15 1.060 7.127 -10.241 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.254 7.977 -12.155 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.265 7.200 -11.757 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.325 9.476 -11.693 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.107 10.686 -11.482 1.00 0.00 C ATOM 1881 C ASP C 16 -4.548 10.309 -11.135 1.00 0.00 C ATOM 1882 O ASP C 16 -5.436 11.160 -11.108 1.00 0.00 O ATOM 1883 CB ASP C 16 -3.002 11.571 -12.725 1.00 0.00 C ATOM 1884 CG ASP C 16 -3.689 12.924 -12.546 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -3.251 13.681 -11.651 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -4.646 13.197 -13.304 1.00 0.00 O ATOM 0 H ASP C 16 -2.770 8.808 -12.322 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.720 11.260 -10.641 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -1.951 11.731 -12.964 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -3.447 11.052 -13.574 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.786 9.016 -10.871 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.119 8.482 -10.618 1.00 0.00 C ATOM 1893 C ASP C 17 -6.122 7.450 -9.488 1.00 0.00 C ATOM 1894 O ASP C 17 -7.144 6.804 -9.271 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.663 7.846 -11.903 1.00 0.00 C ATOM 1896 CG ASP C 17 -6.770 8.861 -13.039 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.787 9.592 -13.071 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -5.833 8.904 -13.866 1.00 0.00 O ATOM 0 H ASP C 17 -4.049 8.312 -10.828 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.757 9.309 -10.306 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.011 7.028 -12.208 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.645 7.415 -11.707 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.007 7.282 -8.765 1.00 0.00 N ATOM 1904 CA ILE C 18 -4.938 6.308 -7.681 1.00 0.00 C ATOM 1905 C ILE C 18 -4.323 6.949 -6.438 1.00 0.00 C ATOM 1906 O ILE C 18 -3.432 7.789 -6.536 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.125 5.071 -8.108 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.700 4.380 -9.348 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.106 4.052 -6.967 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.082 4.940 -10.630 1.00 0.00 C ATOM 0 H ILE C 18 -4.146 7.808 -8.914 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.951 5.982 -7.444 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.122 5.425 -8.348 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.513 3.308 -9.289 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.781 4.514 -9.374 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.531 3.177 -7.270 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.647 4.501 -6.086 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.127 3.751 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.510 4.430 -11.493 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.291 6.007 -10.699 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -3.004 4.782 -10.613 1.00 0.00 H new ATOM 1922 N THR C 19 -4.811 6.538 -5.268 1.00 0.00 N ATOM 1923 CA THR C 19 -4.322 7.006 -3.977 1.00 0.00 C ATOM 1924 C THR C 19 -4.280 5.820 -3.023 1.00 0.00 C ATOM 1925 O THR C 19 -5.031 4.859 -3.193 1.00 0.00 O ATOM 1926 CB THR C 19 -5.249 8.105 -3.449 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.371 9.135 -4.408 1.00 0.00 O ATOM 1928 CG2 THR C 19 -4.720 8.733 -2.162 1.00 0.00 C ATOM 0 H THR C 19 -5.569 5.860 -5.192 1.00 0.00 H new ATOM 0 HA THR C 19 -3.320 7.426 -4.071 1.00 0.00 H new ATOM 0 HB THR C 19 -6.212 7.635 -3.248 1.00 0.00 H new ATOM 0 HG1 THR C 19 -5.966 9.833 -4.064 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.410 9.507 -1.825 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.631 7.966 -1.393 1.00 0.00 H new ATOM 0 HG23 THR C 19 -3.741 9.175 -2.348 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.405 5.881 -2.017 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.187 4.796 -1.068 1.00 0.00 C ATOM 1938 C ILE C 20 -3.201 5.382 0.342 1.00 0.00 C ATOM 1939 O ILE C 20 -2.812 6.531 0.526 1.00 0.00 O ATOM 1940 CB ILE C 20 -1.824 4.138 -1.360 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.632 3.761 -2.833 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.641 2.894 -0.479 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.559 2.633 -3.289 1.00 0.00 C ATOM 0 H ILE C 20 -2.822 6.699 -1.839 1.00 0.00 H new ATOM 0 HA ILE C 20 -3.968 4.041 -1.157 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.065 4.884 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -1.807 4.640 -3.453 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.597 3.460 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.675 2.436 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.681 3.183 0.571 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.436 2.179 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.374 2.413 -4.340 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.368 1.741 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.597 2.940 -3.160 1.00 0.00 H new ATOM 1955 N THR C 21 -3.637 4.602 1.333 1.00 0.00 N ATOM 1956 CA THR C 21 -3.759 5.071 2.710 1.00 0.00 C ATOM 1957 C THR C 21 -3.319 3.977 3.676 1.00 0.00 C ATOM 1958 O THR C 21 -3.397 2.796 3.353 1.00 0.00 O ATOM 1959 CB THR C 21 -5.220 5.471 2.965 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.644 6.395 1.989 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.431 6.111 4.338 1.00 0.00 C ATOM 0 H THR C 21 -3.914 3.629 1.201 1.00 0.00 H new ATOM 0 HA THR C 21 -3.116 5.936 2.870 1.00 0.00 H new ATOM 0 HB THR C 21 -5.800 4.549 2.921 1.00 0.00 H new ATOM 0 HG1 THR C 21 -5.172 7.244 2.116 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.482 6.372 4.460 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.139 5.406 5.117 1.00 0.00 H new ATOM 0 HG23 THR C 21 -4.822 7.012 4.417 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.860 4.371 4.868 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.431 3.445 5.909 1.00 0.00 C ATOM 1971 C ILE C 22 -3.424 3.523 7.065 1.00 0.00 C ATOM 1972 O ILE C 22 -3.288 4.345 7.970 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.973 3.726 6.314 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.518 2.903 7.522 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.715 5.197 6.625 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.677 1.406 7.280 1.00 0.00 C ATOM 0 H ILE C 22 -2.777 5.352 5.135 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.434 2.417 5.546 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.395 3.433 5.437 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.526 3.127 7.742 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.098 3.193 8.398 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.330 5.332 6.904 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.936 5.799 5.744 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.354 5.512 7.450 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.343 0.858 8.161 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.725 1.178 7.086 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -0.077 1.111 6.420 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.434 2.653 7.029 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.508 2.666 8.013 1.00 0.00 C ATOM 1990 C LEU C 23 -4.991 2.281 9.395 1.00 0.00 C ATOM 1991 O LEU C 23 -5.531 2.741 10.401 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.617 1.704 7.575 1.00 0.00 C ATOM 1993 CG LEU C 23 -7.061 1.930 6.124 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -8.216 0.991 5.802 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.536 3.357 5.876 1.00 0.00 C ATOM 0 H LEU C 23 -4.527 1.925 6.320 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.909 3.678 8.076 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.267 0.678 7.687 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.476 1.822 8.236 1.00 0.00 H new ATOM 0 HG LEU C 23 -6.195 1.739 5.490 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.536 1.147 4.772 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.891 -0.042 5.928 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -9.049 1.194 6.475 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.839 3.464 4.834 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.384 3.576 6.525 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.725 4.053 6.091 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.949 1.442 9.458 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.316 1.126 10.731 1.00 0.00 C ATOM 2009 C GLY C 24 -2.544 -0.188 10.693 1.00 0.00 C ATOM 2010 O GLY C 24 -2.362 -0.774 9.628 1.00 0.00 O ATOM 0 H GLY C 24 -3.535 0.978 8.649 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.637 1.934 11.005 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -4.078 1.073 11.508 1.00 0.00 H new ATOM 2014 N VAL C 25 -2.095 -0.648 11.863 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.398 -1.925 11.985 1.00 0.00 C ATOM 2016 C VAL C 25 -2.000 -2.747 13.122 1.00 0.00 C ATOM 2017 O VAL C 25 -2.698 -2.219 13.986 1.00 0.00 O ATOM 2018 CB VAL C 25 0.113 -1.729 12.190 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.682 -0.703 11.210 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.422 -1.270 13.613 1.00 0.00 C ATOM 0 H VAL C 25 -2.204 -0.148 12.745 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.529 -2.471 11.050 1.00 0.00 H new ATOM 0 HB VAL C 25 0.581 -2.697 12.009 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.752 -0.589 11.383 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.514 -1.043 10.188 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.186 0.256 11.359 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.498 -1.140 13.728 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -0.081 -0.323 13.807 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.070 -2.019 14.322 1.00 0.00 H new ATOM 2030 N SER C 26 -1.712 -4.049 13.106 1.00 0.00 N ATOM 2031 CA SER C 26 -2.178 -4.998 14.107 1.00 0.00 C ATOM 2032 C SER C 26 -1.099 -6.057 14.262 1.00 0.00 C ATOM 2033 O SER C 26 -1.192 -7.144 13.692 1.00 0.00 O ATOM 2034 CB SER C 26 -3.503 -5.624 13.671 1.00 0.00 C ATOM 2035 OG SER C 26 -4.492 -4.630 13.509 1.00 0.00 O ATOM 0 H SER C 26 -1.137 -4.478 12.381 1.00 0.00 H new ATOM 0 HA SER C 26 -2.357 -4.501 15.060 1.00 0.00 H new ATOM 0 HB2 SER C 26 -3.366 -6.164 12.734 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.829 -6.352 14.414 1.00 0.00 H new ATOM 0 HG SER C 26 -5.333 -5.048 13.228 1.00 0.00 H new ATOM 2041 N GLY C 27 -0.061 -5.736 15.039 1.00 0.00 N ATOM 2042 CA GLY C 27 1.110 -6.592 15.120 1.00 0.00 C ATOM 2043 C GLY C 27 1.919 -6.401 13.847 1.00 0.00 C ATOM 2044 O GLY C 27 2.398 -5.301 13.579 1.00 0.00 O ATOM 0 H GLY C 27 -0.014 -4.895 15.614 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.709 -6.337 15.994 1.00 0.00 H new ATOM 0 HA3 GLY C 27 0.813 -7.635 15.230 1.00 0.00 H new ATOM 2048 N GLN C 28 2.072 -7.467 13.060 1.00 0.00 N ATOM 2049 CA GLN C 28 2.796 -7.401 11.797 1.00 0.00 C ATOM 2050 C GLN C 28 1.814 -7.272 10.639 1.00 0.00 C ATOM 2051 O GLN C 28 2.231 -7.165 9.491 1.00 0.00 O ATOM 2052 CB GLN C 28 3.703 -8.625 11.649 1.00 0.00 C ATOM 2053 CG GLN C 28 5.095 -8.325 12.205 1.00 0.00 C ATOM 2054 CD GLN C 28 5.035 -7.630 13.562 1.00 0.00 C ATOM 2055 OE1 GLN C 28 4.842 -8.271 14.590 1.00 0.00 O ATOM 2056 NE2 GLN C 28 5.203 -6.310 13.567 1.00 0.00 N ATOM 0 H GLN C 28 1.700 -8.391 13.280 1.00 0.00 H new ATOM 0 HA GLN C 28 3.434 -6.517 11.785 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.268 -9.474 12.177 1.00 0.00 H new ATOM 0 HB3 GLN C 28 3.777 -8.907 10.599 1.00 0.00 H new ATOM 0 HG2 GLN C 28 5.655 -9.255 12.299 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.638 -7.696 11.500 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.361 -5.813 12.691 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.174 -5.795 14.447 1.00 0.00 H new ATOM 2065 N GLN C 29 0.516 -7.280 10.939 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.503 -7.011 9.940 1.00 0.00 C ATOM 2067 C GLN C 29 -0.618 -5.510 9.742 1.00 0.00 C ATOM 2068 O GLN C 29 -0.277 -4.731 10.630 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.844 -7.565 10.420 1.00 0.00 C ATOM 2070 CG GLN C 29 -1.828 -9.090 10.375 1.00 0.00 C ATOM 2071 CD GLN C 29 -2.992 -9.698 11.131 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.107 -8.985 11.208 1.00 0.00 O flip ATOM 2073 NE2 GLN C 29 -2.881 -10.810 11.640 1.00 0.00 N flip ATOM 0 H GLN C 29 0.150 -7.471 11.872 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.231 -7.487 8.998 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -2.044 -7.226 11.436 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.649 -7.183 9.793 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.859 -9.421 9.337 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -0.892 -9.454 10.799 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -2.004 -11.324 11.556 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -3.666 -11.220 12.147 1.00 0.00 H new ATOM 2082 N VAL C 30 -1.103 -5.103 8.571 1.00 0.00 N ATOM 2083 CA VAL C 30 -1.262 -3.704 8.231 1.00 0.00 C ATOM 2084 C VAL C 30 -2.535 -3.548 7.418 1.00 0.00 C ATOM 2085 O VAL C 30 -2.648 -4.127 6.340 1.00 0.00 O ATOM 2086 CB VAL C 30 -0.053 -3.239 7.408 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -0.180 -1.747 7.120 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.259 -3.475 8.157 1.00 0.00 C ATOM 0 H VAL C 30 -1.396 -5.743 7.833 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.326 -3.099 9.135 1.00 0.00 H new ATOM 0 HB VAL C 30 -0.039 -3.815 6.483 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.678 -1.415 6.535 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -1.095 -1.562 6.558 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.213 -1.197 8.060 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.094 -3.134 7.545 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.247 -2.921 9.095 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.373 -4.539 8.366 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.499 -2.773 7.926 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.665 -2.418 7.138 1.00 0.00 C ATOM 2100 C ARG C 31 -4.252 -1.308 6.189 1.00 0.00 C ATOM 2101 O ARG C 31 -3.866 -0.222 6.633 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.820 -1.925 8.010 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.576 -3.081 8.659 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.992 -2.626 9.009 1.00 0.00 C ATOM 2105 NE ARG C 31 -8.004 -1.513 9.963 1.00 0.00 N ATOM 2106 CZ ARG C 31 -9.105 -0.816 10.262 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -10.274 -1.111 9.697 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -9.044 0.186 11.131 1.00 0.00 N ATOM 0 H ARG C 31 -3.488 -2.387 8.870 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.015 -3.302 6.605 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.433 -1.263 8.785 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.508 -1.337 7.403 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.613 -3.933 7.980 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -6.056 -3.412 9.558 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -8.509 -2.325 8.098 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.547 -3.465 9.428 1.00 0.00 H new ATOM 0 HE ARG C 31 -7.129 -1.258 10.421 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.338 -1.877 9.027 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.106 -0.571 9.934 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -8.156 0.425 11.572 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -9.885 0.716 11.358 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.340 -1.588 4.892 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.995 -0.639 3.849 1.00 0.00 C ATOM 2124 C ILE C 32 -5.253 -0.355 3.049 1.00 0.00 C ATOM 2125 O ILE C 32 -6.021 -1.269 2.754 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.897 -1.221 2.948 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.774 -1.841 3.791 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.359 -0.119 2.033 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.609 -2.342 2.938 1.00 0.00 C ATOM 0 H ILE C 32 -4.656 -2.490 4.536 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.611 0.285 4.281 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.318 -2.016 2.333 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.407 -1.101 4.502 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -2.177 -2.670 4.373 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.579 -0.528 1.391 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.169 0.270 1.416 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.945 0.687 2.639 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.157 -2.771 3.584 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.967 -3.103 2.245 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.185 -1.510 2.376 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.466 0.910 2.690 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.629 1.321 1.922 1.00 0.00 C ATOM 2143 C GLY C 33 -6.174 1.795 0.554 1.00 0.00 C ATOM 2144 O GLY C 33 -5.065 2.311 0.409 1.00 0.00 O ATOM 0 H GLY C 33 -4.834 1.675 2.926 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.326 0.489 1.820 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.160 2.120 2.440 1.00 0.00 H new ATOM 2148 N ILE C 34 -7.031 1.622 -0.453 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.723 2.039 -1.805 1.00 0.00 C ATOM 2150 C ILE C 34 -7.946 2.733 -2.380 1.00 0.00 C ATOM 2151 O ILE C 34 -9.078 2.355 -2.083 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.306 0.824 -2.648 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.077 0.162 -2.008 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -6.010 1.280 -4.086 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.642 -1.108 -2.735 1.00 0.00 C ATOM 0 H ILE C 34 -7.950 1.191 -0.347 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.886 2.737 -1.812 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.112 0.091 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.250 0.872 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.300 -0.078 -0.968 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.714 0.420 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.904 1.732 -4.516 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.202 2.012 -4.077 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.769 -1.531 -2.238 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.456 -1.833 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.390 -0.868 -3.768 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.713 3.753 -3.205 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.772 4.551 -3.780 1.00 0.00 C ATOM 2169 C ASN C 35 -8.480 4.768 -5.261 1.00 0.00 C ATOM 2170 O ASN C 35 -7.644 5.593 -5.630 1.00 0.00 O ATOM 2171 CB ASN C 35 -8.889 5.869 -3.008 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.145 6.646 -3.375 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -10.892 6.264 -4.271 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.381 7.754 -2.682 1.00 0.00 N ATOM 0 H ASN C 35 -6.777 4.043 -3.489 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.732 4.041 -3.701 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.893 5.661 -1.938 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.012 6.484 -3.210 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.205 8.318 -2.888 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.738 8.041 -1.944 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.186 4.008 -6.099 1.00 0.00 N ATOM 2182 CA ALA C 36 -9.010 4.028 -7.539 1.00 0.00 C ATOM 2183 C ALA C 36 -10.361 3.804 -8.218 1.00 0.00 C ATOM 2184 O ALA C 36 -11.245 3.181 -7.628 1.00 0.00 O ATOM 2185 CB ALA C 36 -8.028 2.917 -7.913 1.00 0.00 C ATOM 0 H ALA C 36 -9.904 3.355 -5.786 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.616 4.990 -7.868 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.879 2.911 -8.993 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.074 3.092 -7.416 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.430 1.954 -7.597 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.538 4.297 -9.450 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.746 4.074 -10.222 1.00 0.00 C ATOM 2193 C PRO C 37 -11.824 2.617 -10.666 1.00 0.00 C ATOM 2194 O PRO C 37 -10.797 1.962 -10.830 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.623 5.007 -11.433 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.115 5.180 -11.609 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.582 5.103 -10.185 1.00 0.00 C ATOM 0 HA PRO C 37 -12.649 4.277 -9.647 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.082 4.572 -12.321 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.117 5.962 -11.254 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.692 4.398 -12.239 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -9.872 6.134 -12.078 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.590 4.651 -10.162 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.490 6.097 -9.747 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.043 2.104 -10.861 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.233 0.748 -11.373 1.00 0.00 C ATOM 2207 C LYS C 38 -12.712 0.633 -12.805 1.00 0.00 C ATOM 2208 O LYS C 38 -12.739 -0.446 -13.396 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.712 0.364 -11.276 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.199 0.291 -9.820 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.542 -0.847 -9.031 1.00 0.00 C ATOM 2212 CE LYS C 38 -14.889 -2.230 -9.595 1.00 0.00 C ATOM 2213 NZ LYS C 38 -16.340 -2.500 -9.527 1.00 0.00 N ATOM 0 H LYS C 38 -13.909 2.608 -10.672 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.658 0.049 -10.765 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.311 1.093 -11.822 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -14.867 -0.601 -11.758 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -14.990 1.239 -9.324 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.281 0.157 -9.810 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.460 -0.715 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.859 -0.793 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -14.555 -2.295 -10.631 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -14.350 -2.996 -9.038 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -16.518 -3.499 -9.756 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -16.686 -2.298 -8.567 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -16.838 -1.894 -10.210 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.237 1.753 -13.366 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.578 1.796 -14.662 1.00 0.00 C ATOM 2229 C ASP C 39 -10.228 1.072 -14.613 1.00 0.00 C ATOM 2230 O ASP C 39 -9.626 0.814 -15.654 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.368 3.262 -15.041 1.00 0.00 C ATOM 2232 CG ASP C 39 -10.935 3.410 -16.498 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -11.681 2.924 -17.378 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -9.858 4.010 -16.725 1.00 0.00 O ATOM 0 H ASP C 39 -12.305 2.667 -12.917 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.199 1.294 -15.404 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -12.292 3.817 -14.877 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.613 3.702 -14.390 1.00 0.00 H new ATOM 2239 N VAL C 40 -9.756 0.744 -13.406 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.497 0.043 -13.196 1.00 0.00 C ATOM 2241 C VAL C 40 -8.683 -1.015 -12.115 1.00 0.00 C ATOM 2242 O VAL C 40 -9.625 -0.942 -11.325 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.377 1.026 -12.814 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.253 2.142 -13.857 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.601 1.671 -11.447 1.00 0.00 C ATOM 0 H VAL C 40 -10.248 0.963 -12.540 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.202 -0.444 -14.125 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.461 0.436 -12.774 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.455 2.825 -13.566 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.022 1.707 -14.829 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.194 2.689 -13.918 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.781 2.355 -11.229 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.541 2.222 -11.455 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.641 0.896 -10.681 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.787 -2.000 -12.074 1.00 0.00 N ATOM 2256 CA ALA C 41 -7.903 -3.116 -11.146 1.00 0.00 C ATOM 2257 C ALA C 41 -6.988 -2.944 -9.935 1.00 0.00 C ATOM 2258 O ALA C 41 -5.989 -2.233 -10.000 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.552 -4.405 -11.894 1.00 0.00 C ATOM 0 H ALA C 41 -6.967 -2.044 -12.680 1.00 0.00 H new ATOM 0 HA ALA C 41 -8.926 -3.158 -10.771 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.633 -5.254 -11.215 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.241 -4.541 -12.728 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.532 -4.340 -12.273 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.330 -3.605 -8.826 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.495 -3.634 -7.631 1.00 0.00 C ATOM 2267 C VAL C 42 -6.774 -4.913 -6.848 1.00 0.00 C ATOM 2268 O VAL C 42 -7.931 -5.251 -6.614 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.737 -2.373 -6.786 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.218 -2.089 -6.567 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.080 -2.486 -5.418 1.00 0.00 C ATOM 0 H VAL C 42 -8.197 -4.135 -8.735 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.442 -3.636 -7.912 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.295 -1.555 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.330 -1.188 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.707 -1.945 -7.530 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.677 -2.931 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.271 -1.578 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.493 -3.343 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -5.005 -2.619 -5.540 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.720 -5.631 -6.443 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.853 -6.909 -5.752 1.00 0.00 C ATOM 2283 C HIS C 43 -4.601 -7.215 -4.941 1.00 0.00 C ATOM 2284 O HIS C 43 -3.566 -6.592 -5.151 1.00 0.00 O ATOM 2285 CB HIS C 43 -6.017 -8.031 -6.780 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.110 -7.800 -7.784 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.460 -8.111 -7.601 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.933 -7.252 -9.022 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -9.067 -7.736 -8.739 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.176 -7.220 -9.610 1.00 0.00 N ATOM 0 H HIS C 43 -4.754 -5.339 -6.587 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.719 -6.847 -5.094 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -5.074 -8.161 -7.311 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.216 -8.964 -6.253 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.892 -8.533 -6.779 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.003 -6.912 -9.453 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.125 -7.834 -8.931 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.684 -8.179 -4.015 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.489 -8.667 -3.339 1.00 0.00 C ATOM 2300 C ARG C 44 -2.692 -9.515 -4.333 1.00 0.00 C ATOM 2301 O ARG C 44 -3.221 -9.898 -5.376 1.00 0.00 O ATOM 2302 CB ARG C 44 -3.877 -9.431 -2.067 1.00 0.00 C ATOM 2303 CG ARG C 44 -4.205 -10.897 -2.348 1.00 0.00 C ATOM 2304 CD ARG C 44 -4.879 -11.546 -1.139 1.00 0.00 C ATOM 2305 NE ARG C 44 -6.311 -11.227 -1.115 1.00 0.00 N ATOM 2306 CZ ARG C 44 -7.286 -12.139 -1.170 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -7.029 -13.443 -1.161 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -8.554 -11.755 -1.238 1.00 0.00 N ATOM 0 H ARG C 44 -5.554 -8.626 -3.725 1.00 0.00 H new ATOM 0 HA ARG C 44 -2.854 -7.843 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -3.059 -9.375 -1.349 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -4.740 -8.950 -1.606 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -4.860 -10.967 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -3.291 -11.438 -2.594 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -4.742 -12.627 -1.176 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -4.407 -11.196 -0.221 1.00 0.00 H new ATOM 0 HE ARG C 44 -6.580 -10.245 -1.052 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -6.065 -13.772 -1.111 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -7.796 -14.114 -1.204 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -8.786 -10.762 -1.248 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -9.297 -12.453 -1.280 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.430 -9.814 -4.028 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.553 -10.518 -4.960 1.00 0.00 C ATOM 2324 C GLU C 45 -1.114 -11.889 -5.355 1.00 0.00 C ATOM 2325 O GLU C 45 -0.916 -12.332 -6.483 1.00 0.00 O ATOM 2326 CB GLU C 45 0.831 -10.624 -4.317 1.00 0.00 C ATOM 2327 CG GLU C 45 1.946 -10.857 -5.335 1.00 0.00 C ATOM 2328 CD GLU C 45 1.942 -12.255 -5.939 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.810 -13.232 -5.168 1.00 0.00 O ATOM 2330 OE2 GLU C 45 2.074 -12.334 -7.180 1.00 0.00 O ATOM 0 H GLU C 45 -0.991 -9.578 -3.138 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.481 -9.957 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.039 -9.709 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.829 -11.441 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.853 -10.124 -6.137 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.908 -10.682 -4.853 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.817 -12.573 -4.444 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.416 -13.870 -4.740 1.00 0.00 C ATOM 2339 C GLU C 46 -3.488 -13.744 -5.819 1.00 0.00 C ATOM 2340 O GLU C 46 -3.456 -14.443 -6.830 1.00 0.00 O ATOM 2341 CB GLU C 46 -3.104 -14.410 -3.480 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.695 -15.806 -3.698 1.00 0.00 C ATOM 2343 CD GLU C 46 -2.599 -16.853 -3.886 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -1.978 -17.226 -2.866 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -2.388 -17.277 -5.045 1.00 0.00 O ATOM 0 H GLU C 46 -1.983 -12.244 -3.493 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.622 -14.534 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.385 -14.445 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -3.896 -13.725 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -4.316 -16.077 -2.844 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.344 -15.795 -4.574 1.00 0.00 H new ATOM 2352 N ILE C 47 -4.438 -12.839 -5.580 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.618 -12.685 -6.409 1.00 0.00 C ATOM 2354 C ILE C 47 -5.260 -12.053 -7.748 1.00 0.00 C ATOM 2355 O ILE C 47 -5.903 -12.349 -8.753 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.633 -11.835 -5.640 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -7.077 -12.539 -4.353 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.852 -11.549 -6.500 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.458 -14.007 -4.553 1.00 0.00 C ATOM 0 H ILE C 47 -4.403 -12.189 -4.795 1.00 0.00 H new ATOM 0 HA ILE C 47 -6.053 -13.660 -6.629 1.00 0.00 H new ATOM 0 HB ILE C 47 -6.145 -10.896 -5.380 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -6.272 -12.479 -3.621 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.930 -12.006 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.562 -10.944 -5.936 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.546 -11.009 -7.396 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -8.324 -12.489 -6.786 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.761 -14.438 -3.599 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.284 -14.075 -5.261 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.600 -14.556 -4.942 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.247 -11.189 -7.781 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.852 -10.541 -9.022 1.00 0.00 C ATOM 2373 C TYR C 48 -3.548 -11.570 -10.108 1.00 0.00 C ATOM 2374 O TYR C 48 -3.914 -11.375 -11.267 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.622 -9.669 -8.772 1.00 0.00 C ATOM 2376 CG TYR C 48 -1.970 -9.215 -10.058 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.748 -8.672 -11.095 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.584 -9.353 -10.213 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.144 -8.304 -12.303 1.00 0.00 C ATOM 2380 CE2 TYR C 48 0.027 -8.970 -11.412 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.750 -8.449 -12.464 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.158 -8.083 -13.640 1.00 0.00 O ATOM 0 H TYR C 48 -3.691 -10.925 -6.967 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.679 -9.921 -9.367 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -2.911 -8.797 -8.186 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -1.898 -10.227 -8.178 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -3.811 -8.539 -10.960 1.00 0.00 H new ATOM 0 HD2 TYR C 48 0.012 -9.755 -9.407 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -2.744 -7.910 -13.110 1.00 0.00 H new ATOM 0 HE2 TYR C 48 1.095 -9.074 -11.531 1.00 0.00 H new ATOM 0 HH TYR C 48 0.807 -8.246 -13.585 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.877 -12.669 -9.746 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.511 -13.686 -10.715 1.00 0.00 C ATOM 2394 C GLN C 49 -3.747 -14.371 -11.293 1.00 0.00 C ATOM 2395 O GLN C 49 -3.677 -14.962 -12.368 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.631 -14.743 -10.052 1.00 0.00 C ATOM 2397 CG GLN C 49 -0.317 -14.151 -9.546 1.00 0.00 C ATOM 2398 CD GLN C 49 0.539 -15.215 -8.864 1.00 0.00 C ATOM 2399 OE1 GLN C 49 0.489 -16.394 -9.216 1.00 0.00 O ATOM 2400 NE2 GLN C 49 1.335 -14.816 -7.883 1.00 0.00 N ATOM 0 H GLN C 49 -2.581 -12.869 -8.791 1.00 0.00 H new ATOM 0 HA GLN C 49 -1.969 -13.194 -11.523 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -2.170 -15.195 -9.220 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -1.420 -15.540 -10.765 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.234 -13.716 -10.380 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.525 -13.343 -8.845 1.00 0.00 H new ATOM 0 HE21 GLN C 49 1.357 -13.833 -7.612 1.00 0.00 H new ATOM 0 HE22 GLN C 49 1.926 -15.492 -7.399 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.880 -14.295 -10.587 1.00 0.00 N ATOM 2410 CA ARG C 50 -6.093 -14.995 -10.984 1.00 0.00 C ATOM 2411 C ARG C 50 -6.911 -14.182 -11.980 1.00 0.00 C ATOM 2412 O ARG C 50 -7.558 -14.763 -12.856 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.902 -15.312 -9.723 1.00 0.00 C ATOM 2414 CG ARG C 50 -8.103 -16.179 -10.088 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.861 -16.548 -8.816 1.00 0.00 C ATOM 2416 NE ARG C 50 -8.156 -17.581 -8.046 1.00 0.00 N ATOM 2417 CZ ARG C 50 -8.736 -18.667 -7.529 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -10.040 -18.886 -7.690 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -8.012 -19.546 -6.843 1.00 0.00 N ATOM 0 H ARG C 50 -4.976 -13.749 -9.731 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.827 -15.922 -11.492 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.275 -15.829 -8.997 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -7.238 -14.388 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.759 -15.643 -10.774 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.772 -17.081 -10.603 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.991 -15.659 -8.199 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.858 -16.904 -9.076 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.154 -17.461 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -10.608 -18.220 -8.214 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -10.470 -19.720 -7.290 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -7.012 -19.391 -6.711 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -8.456 -20.375 -6.448 1.00 0.00 H new ATOM 2433 N ILE C 51 -6.898 -12.850 -11.874 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.570 -12.004 -12.853 1.00 0.00 C ATOM 2435 C ILE C 51 -6.878 -12.160 -14.212 1.00 0.00 C ATOM 2436 O ILE C 51 -7.446 -11.826 -15.251 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.629 -10.540 -12.386 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.632 -10.341 -11.238 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -8.115 -9.614 -13.505 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -8.139 -10.899 -9.910 1.00 0.00 C ATOM 0 H ILE C 51 -6.431 -12.341 -11.123 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.607 -12.324 -12.958 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.613 -10.302 -12.072 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -8.838 -9.277 -11.124 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.575 -10.822 -11.500 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -8.145 -8.587 -13.140 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.433 -9.679 -14.353 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -9.114 -9.916 -13.819 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -8.892 -10.727 -9.141 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -7.960 -11.970 -10.009 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -7.212 -10.401 -9.628 1.00 0.00 H new