USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -145:sc= -0.0788 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 0:sc= -1.13 USER MOD Single : A 7 ASN : amide:sc= -4.32 K(o=-4.3,f=-11!) USER MOD Single : A 11 ASN : amide:sc= -0.0476 K(o=-0.048,f=-2.4!) USER MOD Single : A 13 ASN : amide:sc= -0.0265 X(o=-0.026,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.0656 X(o=-0.066,f=-0.45) USER MOD Single : A 17 SER OG : rot -67:sc= -0.512! USER MOD Single : A 18 GLN :FLIP amide:sc= -0.423 F(o=-1.2,f=-0.42) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.187 K(o=-0.19,f=-3.3!) USER MOD Single : A 32 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.93) USER MOD Single : A 33 TYR OH : rot 3:sc= -1.69! USER MOD Single : A 39 LYS NZ :NH3+ 143:sc= -0.223 (180deg=-1.44!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 64 GLN : amide:sc= -2.12! C(o=-2.1!,f=-2.9!) USER MOD Single : A 67 MET CE :methyl 137:sc= -0.843 (180deg=-3.78!) USER MOD Single : A 73 ASN : amide:sc= -0.0598 K(o=-0.06,f=-1.8!) USER MOD Single : A 84 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.18) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 54:sc= 0.768 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 100 ASN : amide:sc= -0.552 X(o=-0.55,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.564 -13.100 5.822 1.00 0.00 N ATOM 2 CA MET A 1 -5.130 -12.689 5.823 1.00 0.00 C ATOM 3 C MET A 1 -4.760 -12.048 4.483 1.00 0.00 C ATOM 4 O MET A 1 -3.740 -12.353 3.898 1.00 0.00 O ATOM 5 CB MET A 1 -4.347 -13.986 6.031 1.00 0.00 C ATOM 6 CG MET A 1 -2.865 -13.664 6.221 1.00 0.00 C ATOM 7 SD MET A 1 -1.878 -14.677 5.092 1.00 0.00 S ATOM 8 CE MET A 1 -2.444 -16.292 5.682 1.00 0.00 C ATOM 0 H1 MET A 1 -6.802 -13.533 6.737 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.164 -12.265 5.668 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.727 -13.789 5.060 1.00 0.00 H new ATOM 0 HA MET A 1 -4.913 -11.952 6.596 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.729 -14.518 6.903 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.480 -14.645 5.173 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.684 -12.606 6.030 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.569 -13.857 7.252 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.623 -17.007 5.630 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.783 -16.204 6.714 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.267 -16.639 5.058 1.00 0.00 H new ATOM 20 N ARG A 2 -5.579 -11.159 3.991 1.00 0.00 N ATOM 21 CA ARG A 2 -5.271 -10.500 2.689 1.00 0.00 C ATOM 22 C ARG A 2 -4.735 -9.087 2.927 1.00 0.00 C ATOM 23 O ARG A 2 -5.295 -8.321 3.685 1.00 0.00 O ATOM 24 CB ARG A 2 -6.606 -10.446 1.947 1.00 0.00 C ATOM 25 CG ARG A 2 -6.648 -11.545 0.883 1.00 0.00 C ATOM 26 CD ARG A 2 -6.212 -12.876 1.498 1.00 0.00 C ATOM 27 NE ARG A 2 -7.349 -13.803 1.245 1.00 0.00 N ATOM 28 CZ ARG A 2 -8.203 -14.063 2.196 1.00 0.00 C ATOM 29 NH1 ARG A 2 -9.029 -13.138 2.601 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.232 -15.249 2.741 1.00 0.00 N ATOM 0 H ARG A 2 -6.448 -10.860 4.434 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.511 -11.039 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.429 -10.575 2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.735 -9.469 1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.656 -11.634 0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.992 -11.285 0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.294 -13.242 1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.016 -12.773 2.565 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.460 -14.235 0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.007 -12.212 2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.697 -13.341 3.345 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.587 -15.972 2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.900 -15.452 3.485 1.00 0.00 H new ATOM 44 N ARG A 3 -3.657 -8.732 2.284 1.00 0.00 N ATOM 45 CA ARG A 3 -3.092 -7.365 2.478 1.00 0.00 C ATOM 46 C ARG A 3 -3.173 -6.565 1.176 1.00 0.00 C ATOM 47 O ARG A 3 -2.770 -7.028 0.127 1.00 0.00 O ATOM 48 CB ARG A 3 -1.634 -7.590 2.883 1.00 0.00 C ATOM 49 CG ARG A 3 -1.190 -6.475 3.834 1.00 0.00 C ATOM 50 CD ARG A 3 0.284 -6.149 3.586 1.00 0.00 C ATOM 51 NE ARG A 3 0.925 -6.219 4.928 1.00 0.00 N ATOM 52 CZ ARG A 3 2.169 -6.601 5.036 1.00 0.00 C ATOM 53 NH1 ARG A 3 2.454 -7.869 5.159 1.00 0.00 N ATOM 54 NH2 ARG A 3 3.126 -5.716 5.022 1.00 0.00 N ATOM 0 H ARG A 3 -3.143 -9.327 1.634 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.640 -6.797 3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.526 -8.560 3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.998 -7.603 1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.801 -5.586 3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.336 -6.786 4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.735 -6.862 2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.400 -5.159 3.144 1.00 0.00 H new ATOM 0 HE ARG A 3 0.393 -5.969 5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.705 -8.561 5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.426 -8.167 5.243 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.903 -4.725 4.927 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.098 -6.014 5.106 1.00 0.00 H new ATOM 68 N TYR A 4 -3.695 -5.369 1.232 1.00 0.00 N ATOM 69 CA TYR A 4 -3.803 -4.549 0.000 1.00 0.00 C ATOM 70 C TYR A 4 -3.273 -3.140 0.258 1.00 0.00 C ATOM 71 O TYR A 4 -3.101 -2.723 1.386 1.00 0.00 O ATOM 72 CB TYR A 4 -5.294 -4.500 -0.308 1.00 0.00 C ATOM 73 CG TYR A 4 -5.808 -5.895 -0.577 1.00 0.00 C ATOM 74 CD1 TYR A 4 -5.001 -6.828 -1.241 1.00 0.00 C ATOM 75 CD2 TYR A 4 -7.096 -6.255 -0.164 1.00 0.00 C ATOM 76 CE1 TYR A 4 -5.482 -8.117 -1.492 1.00 0.00 C ATOM 77 CE2 TYR A 4 -7.578 -7.545 -0.416 1.00 0.00 C ATOM 78 CZ TYR A 4 -6.770 -8.476 -1.080 1.00 0.00 C ATOM 79 OH TYR A 4 -7.246 -9.749 -1.328 1.00 0.00 O ATOM 0 H TYR A 4 -4.050 -4.928 2.080 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.224 -4.965 -0.825 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.833 -4.059 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.475 -3.863 -1.174 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -4.007 -6.552 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.718 -5.537 0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.859 -8.835 -2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -8.572 -7.822 -0.098 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.561 -10.269 -1.798 1.00 0.00 H new ATOM 89 N GLU A 5 -3.024 -2.403 -0.782 1.00 0.00 N ATOM 90 CA GLU A 5 -2.512 -1.018 -0.607 1.00 0.00 C ATOM 91 C GLU A 5 -3.588 -0.014 -1.025 1.00 0.00 C ATOM 92 O GLU A 5 -4.222 -0.161 -2.051 1.00 0.00 O ATOM 93 CB GLU A 5 -1.298 -0.924 -1.532 1.00 0.00 C ATOM 94 CG GLU A 5 -0.362 -2.106 -1.271 1.00 0.00 C ATOM 95 CD GLU A 5 0.596 -2.270 -2.453 1.00 0.00 C ATOM 96 OE1 GLU A 5 1.117 -1.268 -2.912 1.00 0.00 O ATOM 97 OE2 GLU A 5 0.791 -3.396 -2.879 1.00 0.00 O ATOM 0 H GLU A 5 -3.153 -2.699 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.248 -0.796 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.620 -0.925 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.771 0.015 -1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.202 -1.941 -0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.942 -3.018 -1.130 1.00 0.00 H new ATOM 104 N VAL A 6 -3.798 1.004 -0.238 1.00 0.00 N ATOM 105 CA VAL A 6 -4.836 2.014 -0.592 1.00 0.00 C ATOM 106 C VAL A 6 -4.169 3.301 -1.080 1.00 0.00 C ATOM 107 O VAL A 6 -3.564 4.024 -0.315 1.00 0.00 O ATOM 108 CB VAL A 6 -5.607 2.263 0.704 1.00 0.00 C ATOM 109 CG1 VAL A 6 -6.914 2.991 0.388 1.00 0.00 C ATOM 110 CG2 VAL A 6 -5.920 0.924 1.376 1.00 0.00 C ATOM 0 H VAL A 6 -3.298 1.181 0.633 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.492 1.672 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.003 2.875 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.464 3.169 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.693 3.944 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.518 2.379 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.470 1.101 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.524 0.313 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.989 0.404 1.601 1.00 0.00 H new ATOM 120 N ASN A 7 -4.277 3.594 -2.346 1.00 0.00 N ATOM 121 CA ASN A 7 -3.644 4.839 -2.877 1.00 0.00 C ATOM 122 C ASN A 7 -4.717 5.865 -3.253 1.00 0.00 C ATOM 123 O ASN A 7 -5.301 5.808 -4.318 1.00 0.00 O ATOM 124 CB ASN A 7 -2.847 4.408 -4.118 1.00 0.00 C ATOM 125 CG ASN A 7 -3.617 3.339 -4.898 1.00 0.00 C ATOM 126 OD1 ASN A 7 -4.810 3.454 -5.096 1.00 0.00 O ATOM 127 ND2 ASN A 7 -2.979 2.293 -5.348 1.00 0.00 N ATOM 0 H ASN A 7 -4.773 3.029 -3.035 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.000 5.311 -2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.661 5.271 -4.757 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -1.874 4.019 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.482 1.572 -5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.977 2.196 -5.182 1.00 0.00 H new ATOM 134 N ILE A 8 -4.974 6.806 -2.385 1.00 0.00 N ATOM 135 CA ILE A 8 -6.002 7.843 -2.685 1.00 0.00 C ATOM 136 C ILE A 8 -5.318 9.143 -3.120 1.00 0.00 C ATOM 137 O ILE A 8 -4.371 9.590 -2.503 1.00 0.00 O ATOM 138 CB ILE A 8 -6.752 8.043 -1.368 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.257 6.690 -0.863 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.940 8.978 -1.591 1.00 0.00 C ATOM 141 CD1 ILE A 8 -7.954 5.947 -2.003 1.00 0.00 C ATOM 0 H ILE A 8 -4.515 6.901 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.672 7.549 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.080 8.482 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.424 6.097 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.948 6.835 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.473 9.119 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.582 9.942 -1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.614 8.541 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.314 4.983 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.797 6.538 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.249 5.789 -2.819 1.00 0.00 H new ATOM 153 N VAL A 9 -5.782 9.748 -4.179 1.00 0.00 N ATOM 154 CA VAL A 9 -5.144 11.012 -4.649 1.00 0.00 C ATOM 155 C VAL A 9 -6.095 12.199 -4.469 1.00 0.00 C ATOM 156 O VAL A 9 -7.216 12.186 -4.940 1.00 0.00 O ATOM 157 CB VAL A 9 -4.851 10.776 -6.131 1.00 0.00 C ATOM 158 CG1 VAL A 9 -6.153 10.858 -6.933 1.00 0.00 C ATOM 159 CG2 VAL A 9 -3.875 11.842 -6.632 1.00 0.00 C ATOM 0 H VAL A 9 -6.572 9.424 -4.738 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.243 11.250 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.410 9.788 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.941 10.689 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.848 10.098 -6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.597 11.845 -6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.665 11.675 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.317 12.830 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.947 11.781 -6.064 1.00 0.00 H new ATOM 169 N LEU A 10 -5.653 13.227 -3.797 1.00 0.00 N ATOM 170 CA LEU A 10 -6.521 14.418 -3.593 1.00 0.00 C ATOM 171 C LEU A 10 -5.715 15.701 -3.788 1.00 0.00 C ATOM 172 O LEU A 10 -4.500 15.698 -3.769 1.00 0.00 O ATOM 173 CB LEU A 10 -7.032 14.327 -2.159 1.00 0.00 C ATOM 174 CG LEU A 10 -5.914 13.871 -1.223 1.00 0.00 C ATOM 175 CD1 LEU A 10 -5.830 14.836 -0.040 1.00 0.00 C ATOM 176 CD2 LEU A 10 -6.217 12.462 -0.710 1.00 0.00 C ATOM 0 H LEU A 10 -4.725 13.292 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.343 14.440 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.410 15.298 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.866 13.627 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.966 13.862 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.034 14.518 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.617 15.841 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.779 14.838 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.418 12.138 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.163 12.468 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.286 11.775 -1.553 1.00 0.00 H new ATOM 188 N ASN A 11 -6.390 16.796 -3.983 1.00 0.00 N ATOM 189 CA ASN A 11 -5.676 18.091 -4.190 1.00 0.00 C ATOM 190 C ASN A 11 -5.360 18.752 -2.845 1.00 0.00 C ATOM 191 O ASN A 11 -6.132 18.665 -1.912 1.00 0.00 O ATOM 192 CB ASN A 11 -6.647 18.951 -5.000 1.00 0.00 C ATOM 193 CG ASN A 11 -6.527 18.591 -6.482 1.00 0.00 C ATOM 194 OD1 ASN A 11 -5.672 17.815 -6.863 1.00 0.00 O ATOM 195 ND2 ASN A 11 -7.352 19.125 -7.340 1.00 0.00 N ATOM 0 H ASN A 11 -7.408 16.854 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.723 17.958 -4.702 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.668 18.788 -4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.425 20.008 -4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.280 18.891 -8.330 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.069 19.776 -7.021 1.00 0.00 H new ATOM 202 N PRO A 12 -4.224 19.394 -2.797 1.00 0.00 N ATOM 203 CA PRO A 12 -3.785 20.080 -1.566 1.00 0.00 C ATOM 204 C PRO A 12 -4.404 21.475 -1.486 1.00 0.00 C ATOM 205 O PRO A 12 -3.728 22.457 -1.254 1.00 0.00 O ATOM 206 CB PRO A 12 -2.273 20.169 -1.733 1.00 0.00 C ATOM 207 CG PRO A 12 -2.027 20.125 -3.214 1.00 0.00 C ATOM 208 CD PRO A 12 -3.252 19.536 -3.879 1.00 0.00 C ATOM 0 HA PRO A 12 -4.082 19.562 -0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.884 21.090 -1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.773 19.342 -1.228 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.831 21.127 -3.597 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.147 19.521 -3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.628 20.188 -4.667 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.029 18.574 -4.341 1.00 0.00 H new ATOM 216 N ASN A 13 -5.688 21.563 -1.676 1.00 0.00 N ATOM 217 CA ASN A 13 -6.365 22.889 -1.614 1.00 0.00 C ATOM 218 C ASN A 13 -6.624 23.287 -0.159 1.00 0.00 C ATOM 219 O ASN A 13 -6.190 24.326 0.297 1.00 0.00 O ATOM 220 CB ASN A 13 -7.686 22.693 -2.359 1.00 0.00 C ATOM 221 CG ASN A 13 -8.517 23.974 -2.267 1.00 0.00 C ATOM 222 OD1 ASN A 13 -9.670 23.938 -1.885 1.00 0.00 O ATOM 223 ND2 ASN A 13 -7.976 25.113 -2.603 1.00 0.00 N ATOM 0 H ASN A 13 -6.302 20.772 -1.872 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.760 23.681 -2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.494 22.445 -3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.238 21.857 -1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.521 25.973 -2.545 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.008 25.143 -2.924 1.00 0.00 H new ATOM 230 N LEU A 14 -7.331 22.470 0.573 1.00 0.00 N ATOM 231 CA LEU A 14 -7.621 22.803 1.996 1.00 0.00 C ATOM 232 C LEU A 14 -6.318 22.929 2.791 1.00 0.00 C ATOM 233 O LEU A 14 -5.295 22.390 2.417 1.00 0.00 O ATOM 234 CB LEU A 14 -8.456 21.629 2.512 1.00 0.00 C ATOM 235 CG LEU A 14 -9.914 22.064 2.689 1.00 0.00 C ATOM 236 CD1 LEU A 14 -10.357 22.905 1.488 1.00 0.00 C ATOM 237 CD2 LEU A 14 -10.804 20.824 2.792 1.00 0.00 C ATOM 0 H LEU A 14 -7.721 21.586 0.247 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.144 23.754 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.399 20.795 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.055 21.276 3.462 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.002 22.659 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.395 23.211 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.725 23.790 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.267 22.314 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.842 21.131 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.709 20.231 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.496 20.225 3.649 1.00 0.00 H new ATOM 249 N ASP A 15 -6.351 23.637 3.886 1.00 0.00 N ATOM 250 CA ASP A 15 -5.118 23.802 4.710 1.00 0.00 C ATOM 251 C ASP A 15 -4.866 22.544 5.546 1.00 0.00 C ATOM 252 O ASP A 15 -5.485 21.518 5.343 1.00 0.00 O ATOM 253 CB ASP A 15 -5.405 25.000 5.618 1.00 0.00 C ATOM 254 CG ASP A 15 -6.728 24.777 6.354 1.00 0.00 C ATOM 255 OD1 ASP A 15 -7.019 23.637 6.675 1.00 0.00 O ATOM 256 OD2 ASP A 15 -7.425 25.751 6.584 1.00 0.00 O ATOM 0 H ASP A 15 -7.180 24.110 4.247 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.231 23.958 4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.595 25.128 6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.455 25.914 5.027 1.00 0.00 H new ATOM 261 N GLN A 16 -3.961 22.618 6.484 1.00 0.00 N ATOM 262 CA GLN A 16 -3.666 21.428 7.337 1.00 0.00 C ATOM 263 C GLN A 16 -4.883 21.077 8.196 1.00 0.00 C ATOM 264 O GLN A 16 -5.288 19.934 8.280 1.00 0.00 O ATOM 265 CB GLN A 16 -2.496 21.849 8.226 1.00 0.00 C ATOM 266 CG GLN A 16 -1.446 22.579 7.387 1.00 0.00 C ATOM 267 CD GLN A 16 -0.070 21.966 7.650 1.00 0.00 C ATOM 268 OE1 GLN A 16 0.251 21.622 8.769 1.00 0.00 O ATOM 269 NE2 GLN A 16 0.762 21.812 6.657 1.00 0.00 N ATOM 0 H GLN A 16 -3.412 23.451 6.698 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.429 20.548 6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.851 22.498 9.027 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.052 20.973 8.699 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.694 22.503 6.328 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.438 23.640 7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.493 22.101 5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.682 21.403 6.821 1.00 0.00 H new ATOM 278 N SER A 17 -5.462 22.051 8.843 1.00 0.00 N ATOM 279 CA SER A 17 -6.643 21.777 9.702 1.00 0.00 C ATOM 280 C SER A 17 -7.738 21.083 8.894 1.00 0.00 C ATOM 281 O SER A 17 -8.314 20.103 9.324 1.00 0.00 O ATOM 282 CB SER A 17 -7.115 23.151 10.171 1.00 0.00 C ATOM 283 OG SER A 17 -7.870 23.766 9.135 1.00 0.00 O ATOM 0 H SER A 17 -5.166 23.026 8.812 1.00 0.00 H new ATOM 0 HA SER A 17 -6.402 21.119 10.537 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.723 23.052 11.070 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.259 23.773 10.432 1.00 0.00 H new ATOM 0 HG SER A 17 -7.281 23.973 8.380 1.00 0.00 H new ATOM 289 N GLN A 18 -8.030 21.580 7.723 1.00 0.00 N ATOM 290 CA GLN A 18 -9.087 20.944 6.888 1.00 0.00 C ATOM 291 C GLN A 18 -8.651 19.536 6.483 1.00 0.00 C ATOM 292 O GLN A 18 -9.414 18.594 6.552 1.00 0.00 O ATOM 293 CB GLN A 18 -9.215 21.840 5.656 1.00 0.00 C ATOM 294 CG GLN A 18 -9.863 23.170 6.048 1.00 0.00 C ATOM 295 CD GLN A 18 -11.317 22.930 6.460 1.00 0.00 C ATOM 296 OE1 GLN A 18 -11.586 22.591 7.691 1.00 0.00 O flip ATOM 297 NE2 GLN A 18 -12.219 23.056 5.654 1.00 0.00 N flip ATOM 0 H GLN A 18 -7.583 22.398 7.309 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.034 20.848 7.419 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.232 22.018 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.815 21.343 4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.312 23.626 6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.822 23.867 5.211 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.010 23.321 4.692 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.185 22.897 5.941 1.00 0.00 H new ATOM 306 N LEU A 19 -7.425 19.385 6.063 1.00 0.00 N ATOM 307 CA LEU A 19 -6.938 18.037 5.656 1.00 0.00 C ATOM 308 C LEU A 19 -7.010 17.074 6.842 1.00 0.00 C ATOM 309 O LEU A 19 -7.298 15.905 6.686 1.00 0.00 O ATOM 310 CB LEU A 19 -5.486 18.246 5.225 1.00 0.00 C ATOM 311 CG LEU A 19 -4.893 16.908 4.781 1.00 0.00 C ATOM 312 CD1 LEU A 19 -5.717 16.347 3.621 1.00 0.00 C ATOM 313 CD2 LEU A 19 -3.446 17.114 4.327 1.00 0.00 C ATOM 0 H LEU A 19 -6.740 20.136 5.984 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.539 17.607 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.437 18.967 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.905 18.658 6.050 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.914 16.207 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.296 15.393 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.747 16.199 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.696 17.049 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.025 16.160 4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.423 17.815 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.859 17.514 5.154 1.00 0.00 H new ATOM 325 N ALA A 20 -6.745 17.552 8.026 1.00 0.00 N ATOM 326 CA ALA A 20 -6.795 16.664 9.214 1.00 0.00 C ATOM 327 C ALA A 20 -8.208 16.103 9.402 1.00 0.00 C ATOM 328 O ALA A 20 -8.390 14.959 9.767 1.00 0.00 O ATOM 329 CB ALA A 20 -6.412 17.559 10.394 1.00 0.00 C ATOM 0 H ALA A 20 -6.496 18.522 8.219 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.127 15.808 9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.426 16.974 11.314 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.412 17.962 10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.125 18.379 10.475 1.00 0.00 H new ATOM 335 N LEU A 21 -9.209 16.906 9.165 1.00 0.00 N ATOM 336 CA LEU A 21 -10.606 16.429 9.340 1.00 0.00 C ATOM 337 C LEU A 21 -10.913 15.274 8.378 1.00 0.00 C ATOM 338 O LEU A 21 -11.670 14.378 8.694 1.00 0.00 O ATOM 339 CB LEU A 21 -11.485 17.661 9.059 1.00 0.00 C ATOM 340 CG LEU A 21 -11.936 17.694 7.594 1.00 0.00 C ATOM 341 CD1 LEU A 21 -13.216 16.867 7.437 1.00 0.00 C ATOM 342 CD2 LEU A 21 -12.216 19.140 7.179 1.00 0.00 C ATOM 0 H LEU A 21 -9.117 17.874 8.857 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.788 16.032 10.339 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.358 17.645 9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.929 18.569 9.292 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.151 17.278 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.538 16.889 6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.022 15.837 7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.000 17.286 8.068 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.537 19.164 6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.002 19.554 7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.309 19.733 7.293 1.00 0.00 H new ATOM 354 N GLU A 22 -10.334 15.286 7.209 1.00 0.00 N ATOM 355 CA GLU A 22 -10.600 14.183 6.241 1.00 0.00 C ATOM 356 C GLU A 22 -9.916 12.898 6.716 1.00 0.00 C ATOM 357 O GLU A 22 -10.302 11.804 6.355 1.00 0.00 O ATOM 358 CB GLU A 22 -10.016 14.667 4.907 1.00 0.00 C ATOM 359 CG GLU A 22 -8.506 14.414 4.864 1.00 0.00 C ATOM 360 CD GLU A 22 -8.215 13.221 3.954 1.00 0.00 C ATOM 361 OE1 GLU A 22 -8.910 13.075 2.963 1.00 0.00 O ATOM 362 OE2 GLU A 22 -7.302 12.472 4.264 1.00 0.00 O ATOM 0 H GLU A 22 -9.691 16.008 6.883 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.662 13.955 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.502 14.149 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.217 15.731 4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.988 15.300 4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.130 14.219 5.868 1.00 0.00 H new ATOM 369 N LYS A 23 -8.903 13.026 7.528 1.00 0.00 N ATOM 370 CA LYS A 23 -8.190 11.821 8.035 1.00 0.00 C ATOM 371 C LYS A 23 -9.095 11.031 8.983 1.00 0.00 C ATOM 372 O LYS A 23 -9.210 9.826 8.886 1.00 0.00 O ATOM 373 CB LYS A 23 -6.975 12.369 8.786 1.00 0.00 C ATOM 374 CG LYS A 23 -5.693 11.857 8.129 1.00 0.00 C ATOM 375 CD LYS A 23 -5.666 12.285 6.662 1.00 0.00 C ATOM 376 CE LYS A 23 -4.355 13.017 6.367 1.00 0.00 C ATOM 377 NZ LYS A 23 -3.454 11.975 5.801 1.00 0.00 N ATOM 0 H LYS A 23 -8.537 13.917 7.863 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.902 11.142 7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.990 13.459 8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.010 12.058 9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.821 12.253 8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.643 10.771 8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.761 11.412 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.514 12.935 6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.508 13.833 5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.934 13.454 7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.533 12.400 5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.322 11.215 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.878 11.582 4.936 1.00 0.00 H new ATOM 391 N GLU A 24 -9.736 11.703 9.900 1.00 0.00 N ATOM 392 CA GLU A 24 -10.630 10.990 10.856 1.00 0.00 C ATOM 393 C GLU A 24 -11.774 10.307 10.103 1.00 0.00 C ATOM 394 O GLU A 24 -12.065 9.147 10.319 1.00 0.00 O ATOM 395 CB GLU A 24 -11.165 12.081 11.781 1.00 0.00 C ATOM 396 CG GLU A 24 -10.543 11.920 13.169 1.00 0.00 C ATOM 397 CD GLU A 24 -11.042 13.038 14.085 1.00 0.00 C ATOM 398 OE1 GLU A 24 -12.177 12.955 14.524 1.00 0.00 O ATOM 399 OE2 GLU A 24 -10.281 13.960 14.330 1.00 0.00 O ATOM 0 H GLU A 24 -9.679 12.713 10.028 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.109 10.208 11.409 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.928 13.065 11.376 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.251 12.017 11.847 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.807 10.948 13.587 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.456 11.952 13.098 1.00 0.00 H new ATOM 406 N ILE A 25 -12.426 11.014 9.222 1.00 0.00 N ATOM 407 CA ILE A 25 -13.547 10.404 8.460 1.00 0.00 C ATOM 408 C ILE A 25 -13.078 9.120 7.771 1.00 0.00 C ATOM 409 O ILE A 25 -13.717 8.090 7.856 1.00 0.00 O ATOM 410 CB ILE A 25 -13.929 11.462 7.426 1.00 0.00 C ATOM 411 CG1 ILE A 25 -14.446 12.711 8.143 1.00 0.00 C ATOM 412 CG2 ILE A 25 -15.021 10.915 6.512 1.00 0.00 C ATOM 413 CD1 ILE A 25 -14.575 13.860 7.139 1.00 0.00 C ATOM 0 H ILE A 25 -12.229 11.989 8.998 1.00 0.00 H new ATOM 0 HA ILE A 25 -14.388 10.130 9.097 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.053 11.718 6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -15.413 12.505 8.603 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.764 12.991 8.946 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -15.292 11.671 5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.655 10.025 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.898 10.657 7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -14.943 14.750 7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.600 14.071 6.700 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -15.274 13.578 6.351 1.00 0.00 H new ATOM 425 N ILE A 26 -11.964 9.173 7.094 1.00 0.00 N ATOM 426 CA ILE A 26 -11.454 7.952 6.408 1.00 0.00 C ATOM 427 C ILE A 26 -11.139 6.867 7.443 1.00 0.00 C ATOM 428 O ILE A 26 -11.526 5.725 7.299 1.00 0.00 O ATOM 429 CB ILE A 26 -10.182 8.407 5.688 1.00 0.00 C ATOM 430 CG1 ILE A 26 -10.562 9.167 4.413 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.335 7.187 5.318 1.00 0.00 C ATOM 432 CD1 ILE A 26 -9.350 9.948 3.903 1.00 0.00 C ATOM 0 H ILE A 26 -11.386 10.007 6.986 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.178 7.526 5.714 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.609 9.060 6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.905 8.469 3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.388 9.849 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.430 7.514 4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.063 6.645 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.908 6.532 4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.621 10.488 2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.027 10.657 4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.537 9.256 3.684 1.00 0.00 H new ATOM 444 N GLN A 27 -10.438 7.220 8.486 1.00 0.00 N ATOM 445 CA GLN A 27 -10.097 6.215 9.534 1.00 0.00 C ATOM 446 C GLN A 27 -11.360 5.748 10.266 1.00 0.00 C ATOM 447 O GLN A 27 -11.506 4.586 10.591 1.00 0.00 O ATOM 448 CB GLN A 27 -9.167 6.949 10.499 1.00 0.00 C ATOM 449 CG GLN A 27 -7.815 7.190 9.826 1.00 0.00 C ATOM 450 CD GLN A 27 -7.108 5.851 9.610 1.00 0.00 C ATOM 451 OE1 GLN A 27 -7.445 4.865 10.237 1.00 0.00 O ATOM 452 NE2 GLN A 27 -6.138 5.772 8.743 1.00 0.00 N ATOM 0 H GLN A 27 -10.086 8.162 8.658 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.632 5.326 9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.611 7.899 10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.033 6.362 11.408 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.957 7.697 8.871 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.200 7.843 10.445 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.855 6.599 8.217 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.662 4.883 8.590 1.00 0.00 H new ATOM 461 N ARG A 28 -12.270 6.645 10.538 1.00 0.00 N ATOM 462 CA ARG A 28 -13.513 6.250 11.261 1.00 0.00 C ATOM 463 C ARG A 28 -14.331 5.254 10.433 1.00 0.00 C ATOM 464 O ARG A 28 -14.993 4.386 10.968 1.00 0.00 O ATOM 465 CB ARG A 28 -14.290 7.553 11.453 1.00 0.00 C ATOM 466 CG ARG A 28 -13.692 8.337 12.622 1.00 0.00 C ATOM 467 CD ARG A 28 -14.666 9.438 13.053 1.00 0.00 C ATOM 468 NE ARG A 28 -15.511 8.810 14.106 1.00 0.00 N ATOM 469 CZ ARG A 28 -16.805 8.731 13.942 1.00 0.00 C ATOM 470 NH1 ARG A 28 -17.568 9.731 14.282 1.00 0.00 N ATOM 471 NH2 ARG A 28 -17.334 7.649 13.440 1.00 0.00 N ATOM 0 H ARG A 28 -12.206 7.633 10.291 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.293 5.758 12.209 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.249 8.150 10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.341 7.337 11.646 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.492 7.667 13.458 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.738 8.775 12.329 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.134 10.307 13.439 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.271 9.782 12.214 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.080 8.442 14.954 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.155 10.576 14.676 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.578 9.669 14.154 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.737 6.865 13.176 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -18.344 7.587 13.312 1.00 0.00 H new ATOM 485 N ALA A 29 -14.303 5.377 9.136 1.00 0.00 N ATOM 486 CA ALA A 29 -15.089 4.447 8.284 1.00 0.00 C ATOM 487 C ALA A 29 -14.537 3.026 8.376 1.00 0.00 C ATOM 488 O ALA A 29 -15.284 2.068 8.418 1.00 0.00 O ATOM 489 CB ALA A 29 -14.947 4.990 6.862 1.00 0.00 C ATOM 0 H ALA A 29 -13.769 6.083 8.630 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.131 4.393 8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.502 4.354 6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.343 6.005 6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.894 4.999 6.579 1.00 0.00 H new ATOM 495 N LEU A 30 -13.243 2.870 8.423 1.00 0.00 N ATOM 496 CA LEU A 30 -12.686 1.489 8.529 1.00 0.00 C ATOM 497 C LEU A 30 -13.331 0.842 9.736 1.00 0.00 C ATOM 498 O LEU A 30 -13.702 -0.315 9.735 1.00 0.00 O ATOM 499 CB LEU A 30 -11.170 1.643 8.744 1.00 0.00 C ATOM 500 CG LEU A 30 -10.604 2.780 7.878 1.00 0.00 C ATOM 501 CD1 LEU A 30 -9.134 2.500 7.566 1.00 0.00 C ATOM 502 CD2 LEU A 30 -11.387 2.878 6.568 1.00 0.00 C ATOM 0 H LEU A 30 -12.556 3.623 8.393 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.876 0.879 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.967 1.846 9.795 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.667 0.708 8.497 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.693 3.720 8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.732 3.306 6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.570 2.437 8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.050 1.557 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.980 3.686 5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.304 1.937 6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.436 3.081 6.785 1.00 0.00 H new ATOM 514 N GLU A 31 -13.482 1.619 10.762 1.00 0.00 N ATOM 515 CA GLU A 31 -14.123 1.126 12.001 1.00 0.00 C ATOM 516 C GLU A 31 -15.613 0.877 11.755 1.00 0.00 C ATOM 517 O GLU A 31 -16.203 -0.020 12.323 1.00 0.00 O ATOM 518 CB GLU A 31 -13.924 2.246 13.024 1.00 0.00 C ATOM 519 CG GLU A 31 -12.489 2.206 13.553 1.00 0.00 C ATOM 520 CD GLU A 31 -12.471 1.555 14.938 1.00 0.00 C ATOM 521 OE1 GLU A 31 -13.530 1.160 15.398 1.00 0.00 O ATOM 522 OE2 GLU A 31 -11.400 1.462 15.513 1.00 0.00 O ATOM 0 H GLU A 31 -13.182 2.593 10.795 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.695 0.184 12.345 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.126 3.213 12.564 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.629 2.131 13.847 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.854 1.645 12.868 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.083 3.216 13.609 1.00 0.00 H new ATOM 529 N ASN A 32 -16.232 1.674 10.919 1.00 0.00 N ATOM 530 CA ASN A 32 -17.675 1.488 10.652 1.00 0.00 C ATOM 531 C ASN A 32 -17.914 0.191 9.874 1.00 0.00 C ATOM 532 O ASN A 32 -18.870 -0.519 10.116 1.00 0.00 O ATOM 533 CB ASN A 32 -18.080 2.707 9.824 1.00 0.00 C ATOM 534 CG ASN A 32 -19.562 3.013 10.050 1.00 0.00 C ATOM 535 OD1 ASN A 32 -20.049 2.926 11.160 1.00 0.00 O ATOM 536 ND2 ASN A 32 -20.304 3.377 9.040 1.00 0.00 N ATOM 0 H ASN A 32 -15.792 2.443 10.414 1.00 0.00 H new ATOM 0 HA ASN A 32 -18.259 1.408 11.569 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.474 3.568 10.106 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.895 2.519 8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -21.292 3.588 9.183 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.896 3.450 8.108 1.00 0.00 H new ATOM 543 N TYR A 33 -17.059 -0.127 8.940 1.00 0.00 N ATOM 544 CA TYR A 33 -17.245 -1.363 8.160 1.00 0.00 C ATOM 545 C TYR A 33 -16.619 -2.552 8.908 1.00 0.00 C ATOM 546 O TYR A 33 -17.093 -3.667 8.828 1.00 0.00 O ATOM 547 CB TYR A 33 -16.534 -1.070 6.831 1.00 0.00 C ATOM 548 CG TYR A 33 -15.857 -2.311 6.309 1.00 0.00 C ATOM 549 CD1 TYR A 33 -14.641 -2.715 6.865 1.00 0.00 C ATOM 550 CD2 TYR A 33 -16.442 -3.057 5.281 1.00 0.00 C ATOM 551 CE1 TYR A 33 -14.007 -3.863 6.395 1.00 0.00 C ATOM 552 CE2 TYR A 33 -15.806 -4.208 4.807 1.00 0.00 C ATOM 553 CZ TYR A 33 -14.587 -4.613 5.365 1.00 0.00 C ATOM 554 OH TYR A 33 -13.959 -5.751 4.899 1.00 0.00 O ATOM 0 H TYR A 33 -16.239 0.425 8.690 1.00 0.00 H new ATOM 0 HA TYR A 33 -18.289 -1.632 8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.255 -0.707 6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.797 -0.279 6.973 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.192 -2.137 7.659 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -17.383 -2.744 4.854 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -13.067 -4.175 6.826 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.254 -4.784 4.011 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.148 -5.915 5.423 1.00 0.00 H new ATOM 564 N GLY A 34 -15.559 -2.316 9.634 1.00 0.00 N ATOM 565 CA GLY A 34 -14.907 -3.416 10.380 1.00 0.00 C ATOM 566 C GLY A 34 -13.504 -3.657 9.822 1.00 0.00 C ATOM 567 O GLY A 34 -13.044 -4.779 9.732 1.00 0.00 O ATOM 0 H GLY A 34 -15.119 -1.402 9.739 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.849 -3.166 11.439 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.502 -4.326 10.299 1.00 0.00 H new ATOM 571 N ALA A 35 -12.816 -2.612 9.450 1.00 0.00 N ATOM 572 CA ALA A 35 -11.440 -2.780 8.900 1.00 0.00 C ATOM 573 C ALA A 35 -10.411 -2.204 9.878 1.00 0.00 C ATOM 574 O ALA A 35 -10.571 -1.113 10.388 1.00 0.00 O ATOM 575 CB ALA A 35 -11.438 -1.993 7.590 1.00 0.00 C ATOM 0 H ALA A 35 -13.147 -1.649 9.503 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.180 -3.827 8.744 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.456 -2.068 7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.192 -2.403 6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.664 -0.946 7.794 1.00 0.00 H new ATOM 581 N ARG A 36 -9.360 -2.930 10.146 1.00 0.00 N ATOM 582 CA ARG A 36 -8.327 -2.427 11.094 1.00 0.00 C ATOM 583 C ARG A 36 -7.056 -2.050 10.334 1.00 0.00 C ATOM 584 O ARG A 36 -6.629 -2.740 9.429 1.00 0.00 O ATOM 585 CB ARG A 36 -8.030 -3.578 12.053 1.00 0.00 C ATOM 586 CG ARG A 36 -9.285 -4.428 12.289 1.00 0.00 C ATOM 587 CD ARG A 36 -8.910 -5.683 13.083 1.00 0.00 C ATOM 588 NE ARG A 36 -8.214 -5.178 14.298 1.00 0.00 N ATOM 589 CZ ARG A 36 -8.712 -5.414 15.482 1.00 0.00 C ATOM 590 NH1 ARG A 36 -9.079 -6.624 15.808 1.00 0.00 N ATOM 591 NH2 ARG A 36 -8.843 -4.440 16.341 1.00 0.00 N ATOM 0 H ARG A 36 -9.172 -3.851 9.749 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.676 -1.541 11.625 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.235 -4.201 11.645 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.669 -3.182 13.002 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.032 -3.850 12.833 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.732 -4.708 11.335 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.795 -6.262 13.347 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.262 -6.339 12.501 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.348 -4.647 14.206 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.977 -7.386 15.138 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.468 -6.807 16.733 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.556 -3.494 16.088 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.232 -4.624 17.266 1.00 0.00 H new ATOM 605 N VAL A 37 -6.446 -0.967 10.705 1.00 0.00 N ATOM 606 CA VAL A 37 -5.193 -0.532 10.023 1.00 0.00 C ATOM 607 C VAL A 37 -3.983 -1.150 10.728 1.00 0.00 C ATOM 608 O VAL A 37 -3.753 -0.925 11.900 1.00 0.00 O ATOM 609 CB VAL A 37 -5.179 0.992 10.150 1.00 0.00 C ATOM 610 CG1 VAL A 37 -3.761 1.519 9.924 1.00 0.00 C ATOM 611 CG2 VAL A 37 -6.117 1.597 9.103 1.00 0.00 C ATOM 0 H VAL A 37 -6.761 -0.355 11.458 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.151 -0.846 8.980 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.512 1.272 11.149 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.758 2.605 10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.090 1.090 10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.423 1.238 8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.109 2.683 9.192 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.782 1.312 8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.130 1.227 9.265 1.00 0.00 H new ATOM 621 N GLU A 38 -3.216 -1.935 10.026 1.00 0.00 N ATOM 622 CA GLU A 38 -2.029 -2.575 10.659 1.00 0.00 C ATOM 623 C GLU A 38 -0.827 -1.629 10.631 1.00 0.00 C ATOM 624 O GLU A 38 0.079 -1.754 11.425 1.00 0.00 O ATOM 625 CB GLU A 38 -1.752 -3.817 9.813 1.00 0.00 C ATOM 626 CG GLU A 38 -2.057 -5.070 10.636 1.00 0.00 C ATOM 627 CD GLU A 38 -3.528 -5.450 10.460 1.00 0.00 C ATOM 628 OE1 GLU A 38 -4.350 -4.909 11.183 1.00 0.00 O ATOM 629 OE2 GLU A 38 -3.809 -6.275 9.606 1.00 0.00 O ATOM 0 H GLU A 38 -3.359 -2.162 9.042 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.208 -2.822 11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.366 -3.802 8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.711 -3.825 9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.417 -5.893 10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.841 -4.888 11.689 1.00 0.00 H new ATOM 636 N LYS A 39 -0.814 -0.690 9.721 1.00 0.00 N ATOM 637 CA LYS A 39 0.329 0.266 9.637 1.00 0.00 C ATOM 638 C LYS A 39 0.097 1.294 8.527 1.00 0.00 C ATOM 639 O LYS A 39 -0.737 1.112 7.661 1.00 0.00 O ATOM 640 CB LYS A 39 1.549 -0.602 9.321 1.00 0.00 C ATOM 641 CG LYS A 39 2.752 -0.114 10.129 1.00 0.00 C ATOM 642 CD LYS A 39 2.381 -0.061 11.612 1.00 0.00 C ATOM 643 CE LYS A 39 3.130 -1.160 12.369 1.00 0.00 C ATOM 644 NZ LYS A 39 4.572 -0.836 12.191 1.00 0.00 N ATOM 0 H LYS A 39 -1.549 -0.544 9.030 1.00 0.00 H new ATOM 0 HA LYS A 39 0.456 0.831 10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.337 -1.644 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.773 -0.558 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.600 -0.782 9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.059 0.873 9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.633 0.916 12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.305 -0.191 11.733 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.855 -1.170 13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.895 -2.146 11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.089 -1.060 13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.960 -1.398 11.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.676 0.176 11.977 1.00 0.00 H new ATOM 658 N VAL A 40 0.837 2.369 8.545 1.00 0.00 N ATOM 659 CA VAL A 40 0.676 3.412 7.491 1.00 0.00 C ATOM 660 C VAL A 40 2.048 3.836 6.958 1.00 0.00 C ATOM 661 O VAL A 40 2.888 4.314 7.695 1.00 0.00 O ATOM 662 CB VAL A 40 -0.007 4.585 8.191 1.00 0.00 C ATOM 663 CG1 VAL A 40 0.704 4.883 9.512 1.00 0.00 C ATOM 664 CG2 VAL A 40 0.064 5.820 7.290 1.00 0.00 C ATOM 0 H VAL A 40 1.549 2.571 9.247 1.00 0.00 H new ATOM 0 HA VAL A 40 0.097 3.052 6.641 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.048 4.331 8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.214 5.720 10.008 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.660 4.004 10.155 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.746 5.137 9.315 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.422 6.660 7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.107 6.068 7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.442 5.612 6.347 1.00 0.00 H new ATOM 674 N GLU A 41 2.284 3.667 5.686 1.00 0.00 N ATOM 675 CA GLU A 41 3.604 4.066 5.117 1.00 0.00 C ATOM 676 C GLU A 41 3.450 5.314 4.244 1.00 0.00 C ATOM 677 O GLU A 41 2.700 5.325 3.287 1.00 0.00 O ATOM 678 CB GLU A 41 4.049 2.872 4.273 1.00 0.00 C ATOM 679 CG GLU A 41 4.806 1.877 5.155 1.00 0.00 C ATOM 680 CD GLU A 41 5.463 0.812 4.275 1.00 0.00 C ATOM 681 OE1 GLU A 41 5.706 1.098 3.114 1.00 0.00 O ATOM 682 OE2 GLU A 41 5.712 -0.272 4.777 1.00 0.00 O ATOM 0 H GLU A 41 1.623 3.271 5.017 1.00 0.00 H new ATOM 0 HA GLU A 41 4.330 4.310 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.182 2.389 3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.687 3.208 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.563 2.397 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.122 1.408 5.862 1.00 0.00 H new ATOM 689 N GLU A 42 4.153 6.365 4.565 1.00 0.00 N ATOM 690 CA GLU A 42 4.044 7.610 3.753 1.00 0.00 C ATOM 691 C GLU A 42 5.124 7.633 2.668 1.00 0.00 C ATOM 692 O GLU A 42 6.305 7.648 2.952 1.00 0.00 O ATOM 693 CB GLU A 42 4.259 8.751 4.748 1.00 0.00 C ATOM 694 CG GLU A 42 5.626 8.597 5.418 1.00 0.00 C ATOM 695 CD GLU A 42 6.489 9.818 5.096 1.00 0.00 C ATOM 696 OE1 GLU A 42 5.939 10.904 5.017 1.00 0.00 O ATOM 697 OE2 GLU A 42 7.686 9.646 4.932 1.00 0.00 O ATOM 0 H GLU A 42 4.798 6.416 5.354 1.00 0.00 H new ATOM 0 HA GLU A 42 3.083 7.687 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.201 9.711 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.471 8.744 5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.506 8.497 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.116 7.689 5.066 1.00 0.00 H new ATOM 704 N LEU A 43 4.727 7.636 1.424 1.00 0.00 N ATOM 705 CA LEU A 43 5.731 7.658 0.322 1.00 0.00 C ATOM 706 C LEU A 43 6.070 9.104 -0.056 1.00 0.00 C ATOM 707 O LEU A 43 6.984 9.357 -0.815 1.00 0.00 O ATOM 708 CB LEU A 43 5.053 6.944 -0.848 1.00 0.00 C ATOM 709 CG LEU A 43 3.694 7.591 -1.126 1.00 0.00 C ATOM 710 CD1 LEU A 43 3.563 7.877 -2.623 1.00 0.00 C ATOM 711 CD2 LEU A 43 2.578 6.638 -0.690 1.00 0.00 C ATOM 0 H LEU A 43 3.752 7.624 1.124 1.00 0.00 H new ATOM 0 HA LEU A 43 6.666 7.176 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.683 7.001 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.923 5.887 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 43 3.614 8.524 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.595 8.338 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.358 8.554 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.642 6.943 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.609 7.097 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.658 5.705 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.671 6.432 0.376 1.00 0.00 H new ATOM 723 N GLY A 44 5.341 10.051 0.468 1.00 0.00 N ATOM 724 CA GLY A 44 5.623 11.478 0.139 1.00 0.00 C ATOM 725 C GLY A 44 4.949 11.842 -1.185 1.00 0.00 C ATOM 726 O GLY A 44 4.931 11.065 -2.117 1.00 0.00 O ATOM 0 H GLY A 44 4.563 9.899 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.256 12.125 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.699 11.640 0.068 1.00 0.00 H new ATOM 730 N LEU A 45 4.395 13.021 -1.275 1.00 0.00 N ATOM 731 CA LEU A 45 3.719 13.451 -2.540 1.00 0.00 C ATOM 732 C LEU A 45 4.725 13.562 -3.696 1.00 0.00 C ATOM 733 O LEU A 45 4.799 14.577 -4.361 1.00 0.00 O ATOM 734 CB LEU A 45 3.156 14.830 -2.219 1.00 0.00 C ATOM 735 CG LEU A 45 4.327 15.790 -2.019 1.00 0.00 C ATOM 736 CD1 LEU A 45 4.234 16.934 -3.030 1.00 0.00 C ATOM 737 CD2 LEU A 45 4.286 16.355 -0.599 1.00 0.00 C ATOM 0 H LEU A 45 4.380 13.711 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 45 2.957 12.737 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.515 15.177 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.540 14.789 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 45 5.264 15.254 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.071 17.617 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.268 16.529 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.297 17.472 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.122 17.040 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.348 16.889 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.359 15.539 0.120 1.00 0.00 H new ATOM 749 N ARG A 46 5.498 12.544 -3.944 1.00 0.00 N ATOM 750 CA ARG A 46 6.489 12.617 -5.057 1.00 0.00 C ATOM 751 C ARG A 46 5.828 12.233 -6.384 1.00 0.00 C ATOM 752 O ARG A 46 4.652 11.934 -6.439 1.00 0.00 O ATOM 753 CB ARG A 46 7.579 11.609 -4.690 1.00 0.00 C ATOM 754 CG ARG A 46 8.627 12.290 -3.808 1.00 0.00 C ATOM 755 CD ARG A 46 8.414 11.876 -2.352 1.00 0.00 C ATOM 756 NE ARG A 46 9.733 11.349 -1.906 1.00 0.00 N ATOM 757 CZ ARG A 46 9.808 10.581 -0.853 1.00 0.00 C ATOM 758 NH1 ARG A 46 9.772 11.106 0.341 1.00 0.00 N ATOM 759 NH2 ARG A 46 9.919 9.289 -0.994 1.00 0.00 N ATOM 0 H ARG A 46 5.489 11.665 -3.427 1.00 0.00 H new ATOM 0 HA ARG A 46 6.891 13.622 -5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.142 10.760 -4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.047 11.218 -5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.629 12.011 -4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.551 13.373 -3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.101 12.723 -1.742 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.636 11.117 -2.267 1.00 0.00 H new ATOM 0 HE ARG A 46 10.579 11.588 -2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.685 12.116 0.451 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.831 10.506 1.164 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.947 8.878 -1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.978 8.689 -0.171 1.00 0.00 H new ATOM 773 N ARG A 47 6.579 12.242 -7.452 1.00 0.00 N ATOM 774 CA ARG A 47 6.000 11.881 -8.778 1.00 0.00 C ATOM 775 C ARG A 47 5.192 10.589 -8.678 1.00 0.00 C ATOM 776 O ARG A 47 5.354 9.811 -7.758 1.00 0.00 O ATOM 777 CB ARG A 47 7.201 11.669 -9.696 1.00 0.00 C ATOM 778 CG ARG A 47 8.192 10.712 -9.030 1.00 0.00 C ATOM 779 CD ARG A 47 8.797 9.789 -10.091 1.00 0.00 C ATOM 780 NE ARG A 47 8.862 8.448 -9.445 1.00 0.00 N ATOM 781 CZ ARG A 47 9.628 7.518 -9.946 1.00 0.00 C ATOM 782 NH1 ARG A 47 9.471 7.140 -11.186 1.00 0.00 N ATOM 783 NH2 ARG A 47 10.551 6.965 -9.208 1.00 0.00 N ATOM 0 H ARG A 47 7.570 12.484 -7.464 1.00 0.00 H new ATOM 0 HA ARG A 47 5.327 12.655 -9.146 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.873 11.262 -10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.685 12.623 -9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.980 11.276 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.687 10.123 -8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.181 9.764 -10.990 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.787 10.130 -10.392 1.00 0.00 H new ATOM 0 HE ARG A 47 8.307 8.257 -8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.749 7.572 -11.763 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.070 6.413 -11.577 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.674 7.260 -8.239 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.150 6.238 -9.600 1.00 0.00 H new ATOM 797 N LEU A 48 4.333 10.347 -9.628 1.00 0.00 N ATOM 798 CA LEU A 48 3.527 9.097 -9.596 1.00 0.00 C ATOM 799 C LEU A 48 4.425 7.896 -9.907 1.00 0.00 C ATOM 800 O LEU A 48 5.190 7.907 -10.851 1.00 0.00 O ATOM 801 CB LEU A 48 2.465 9.281 -10.680 1.00 0.00 C ATOM 802 CG LEU A 48 1.209 9.889 -10.055 1.00 0.00 C ATOM 803 CD1 LEU A 48 0.523 10.805 -11.070 1.00 0.00 C ATOM 804 CD2 LEU A 48 0.251 8.769 -9.649 1.00 0.00 C ATOM 0 H LEU A 48 4.155 10.960 -10.424 1.00 0.00 H new ATOM 0 HA LEU A 48 3.075 8.913 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.843 9.930 -11.470 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.229 8.322 -11.141 1.00 0.00 H new ATOM 0 HG LEU A 48 1.486 10.469 -9.175 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.372 11.238 -10.623 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.206 11.603 -11.360 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.245 10.228 -11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.645 9.201 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.025 8.189 -10.530 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.739 8.118 -8.924 1.00 0.00 H new ATOM 816 N ALA A 49 4.342 6.867 -9.114 1.00 0.00 N ATOM 817 CA ALA A 49 5.197 5.667 -9.353 1.00 0.00 C ATOM 818 C ALA A 49 4.682 4.878 -10.559 1.00 0.00 C ATOM 819 O ALA A 49 3.614 5.141 -11.074 1.00 0.00 O ATOM 820 CB ALA A 49 5.076 4.834 -8.075 1.00 0.00 C ATOM 0 H ALA A 49 3.719 6.802 -8.309 1.00 0.00 H new ATOM 0 HA ALA A 49 6.231 5.935 -9.570 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.678 3.931 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.430 5.418 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.033 4.560 -7.917 1.00 0.00 H new ATOM 826 N TYR A 50 5.434 3.911 -11.013 1.00 0.00 N ATOM 827 CA TYR A 50 4.984 3.111 -12.187 1.00 0.00 C ATOM 828 C TYR A 50 4.891 4.009 -13.425 1.00 0.00 C ATOM 829 O TYR A 50 5.191 5.185 -13.357 1.00 0.00 O ATOM 830 CB TYR A 50 3.607 2.579 -11.790 1.00 0.00 C ATOM 831 CG TYR A 50 3.666 1.074 -11.677 1.00 0.00 C ATOM 832 CD1 TYR A 50 4.813 0.455 -11.165 1.00 0.00 C ATOM 833 CD2 TYR A 50 2.575 0.296 -12.086 1.00 0.00 C ATOM 834 CE1 TYR A 50 4.870 -0.941 -11.062 1.00 0.00 C ATOM 835 CE2 TYR A 50 2.632 -1.099 -11.983 1.00 0.00 C ATOM 836 CZ TYR A 50 3.779 -1.718 -11.471 1.00 0.00 C ATOM 837 OH TYR A 50 3.836 -3.094 -11.370 1.00 0.00 O ATOM 0 H TYR A 50 6.337 3.642 -10.623 1.00 0.00 H new ATOM 0 HA TYR A 50 5.672 2.303 -12.437 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.296 3.014 -10.840 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.864 2.870 -12.532 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.654 1.054 -10.849 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.690 0.773 -12.481 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.755 -1.418 -10.667 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.791 -1.698 -12.299 1.00 0.00 H new ATOM 0 HH TYR A 50 2.996 -3.481 -11.695 1.00 0.00 H new ATOM 847 N PRO A 51 4.478 3.430 -14.521 1.00 0.00 N ATOM 848 CA PRO A 51 4.350 4.203 -15.782 1.00 0.00 C ATOM 849 C PRO A 51 3.251 5.259 -15.650 1.00 0.00 C ATOM 850 O PRO A 51 2.183 4.997 -15.133 1.00 0.00 O ATOM 851 CB PRO A 51 3.989 3.140 -16.819 1.00 0.00 C ATOM 852 CG PRO A 51 3.379 2.032 -16.026 1.00 0.00 C ATOM 853 CD PRO A 51 4.085 2.026 -14.697 1.00 0.00 C ATOM 0 HA PRO A 51 5.254 4.750 -16.050 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.290 3.529 -17.559 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.871 2.800 -17.362 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.308 2.190 -15.897 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.501 1.076 -16.536 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.430 1.687 -13.894 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.950 1.363 -14.703 1.00 0.00 H new ATOM 861 N ILE A 52 3.508 6.454 -16.106 1.00 0.00 N ATOM 862 CA ILE A 52 2.484 7.531 -15.999 1.00 0.00 C ATOM 863 C ILE A 52 2.150 8.069 -17.394 1.00 0.00 C ATOM 864 O ILE A 52 2.983 8.078 -18.279 1.00 0.00 O ATOM 865 CB ILE A 52 3.137 8.622 -15.144 1.00 0.00 C ATOM 866 CG1 ILE A 52 3.972 7.985 -14.026 1.00 0.00 C ATOM 867 CG2 ILE A 52 2.052 9.500 -14.517 1.00 0.00 C ATOM 868 CD1 ILE A 52 4.735 9.076 -13.274 1.00 0.00 C ATOM 0 H ILE A 52 4.384 6.731 -16.549 1.00 0.00 H new ATOM 0 HA ILE A 52 1.552 7.177 -15.558 1.00 0.00 H new ATOM 0 HB ILE A 52 3.783 9.228 -15.779 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.324 7.440 -13.339 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.671 7.262 -14.447 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.518 10.276 -13.909 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.459 9.964 -15.305 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.405 8.887 -13.890 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.328 8.623 -12.480 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.394 9.601 -13.965 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.027 9.782 -12.841 1.00 0.00 H new ATOM 880 N ALA A 53 0.940 8.514 -17.600 1.00 0.00 N ATOM 881 CA ALA A 53 0.560 9.046 -18.942 1.00 0.00 C ATOM 882 C ALA A 53 0.809 10.554 -19.006 1.00 0.00 C ATOM 883 O ALA A 53 1.760 11.012 -19.610 1.00 0.00 O ATOM 884 CB ALA A 53 -0.933 8.747 -19.079 1.00 0.00 C ATOM 0 H ALA A 53 0.199 8.533 -16.899 1.00 0.00 H new ATOM 0 HA ALA A 53 1.144 8.593 -19.743 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.290 9.109 -20.043 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.096 7.671 -19.012 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.479 9.247 -18.279 1.00 0.00 H new ATOM 890 N LYS A 54 -0.037 11.329 -18.389 1.00 0.00 N ATOM 891 CA LYS A 54 0.149 12.808 -18.413 1.00 0.00 C ATOM 892 C LYS A 54 -0.548 13.443 -17.210 1.00 0.00 C ATOM 893 O LYS A 54 -1.300 14.388 -17.340 1.00 0.00 O ATOM 894 CB LYS A 54 -0.500 13.268 -19.718 1.00 0.00 C ATOM 895 CG LYS A 54 0.391 12.877 -20.900 1.00 0.00 C ATOM 896 CD LYS A 54 0.154 13.846 -22.060 1.00 0.00 C ATOM 897 CE LYS A 54 -0.084 13.056 -23.349 1.00 0.00 C ATOM 898 NZ LYS A 54 -0.315 14.091 -24.395 1.00 0.00 N ATOM 0 H LYS A 54 -0.851 11.003 -17.868 1.00 0.00 H new ATOM 0 HA LYS A 54 1.199 13.096 -18.360 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.485 12.814 -19.826 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.647 14.348 -19.702 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.439 12.899 -20.602 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.170 11.857 -21.214 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.706 14.481 -21.847 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.015 14.504 -22.179 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.775 12.431 -23.594 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.943 12.393 -23.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.486 13.628 -25.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.143 14.666 -24.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.522 14.703 -24.468 1.00 0.00 H new ATOM 912 N ASP A 55 -0.299 12.929 -16.039 1.00 0.00 N ATOM 913 CA ASP A 55 -0.943 13.498 -14.821 1.00 0.00 C ATOM 914 C ASP A 55 0.114 14.117 -13.906 1.00 0.00 C ATOM 915 O ASP A 55 1.257 13.706 -13.908 1.00 0.00 O ATOM 916 CB ASP A 55 -1.616 12.311 -14.133 1.00 0.00 C ATOM 917 CG ASP A 55 -2.912 11.960 -14.866 1.00 0.00 C ATOM 918 OD1 ASP A 55 -2.831 11.304 -15.891 1.00 0.00 O ATOM 919 OD2 ASP A 55 -3.965 12.355 -14.391 1.00 0.00 O ATOM 0 H ASP A 55 0.323 12.138 -15.871 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.657 14.286 -15.063 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.945 11.452 -14.128 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.829 12.554 -13.092 1.00 0.00 H new ATOM 924 N PRO A 56 -0.312 15.086 -13.147 1.00 0.00 N ATOM 925 CA PRO A 56 0.601 15.777 -12.205 1.00 0.00 C ATOM 926 C PRO A 56 0.913 14.876 -11.007 1.00 0.00 C ATOM 927 O PRO A 56 0.677 13.684 -11.034 1.00 0.00 O ATOM 928 CB PRO A 56 -0.195 17.003 -11.770 1.00 0.00 C ATOM 929 CG PRO A 56 -1.630 16.628 -11.971 1.00 0.00 C ATOM 930 CD PRO A 56 -1.674 15.629 -13.098 1.00 0.00 C ATOM 0 HA PRO A 56 1.562 16.035 -12.650 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.005 17.253 -10.728 1.00 0.00 H new ATOM 0 HB3 PRO A 56 0.071 17.877 -12.365 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.047 16.199 -11.060 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.228 17.507 -12.212 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.409 14.846 -12.909 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.949 16.103 -14.040 1.00 0.00 H new ATOM 938 N GLN A 57 1.442 15.439 -9.954 1.00 0.00 N ATOM 939 CA GLN A 57 1.772 14.618 -8.753 1.00 0.00 C ATOM 940 C GLN A 57 0.504 14.343 -7.939 1.00 0.00 C ATOM 941 O GLN A 57 -0.577 14.211 -8.479 1.00 0.00 O ATOM 942 CB GLN A 57 2.750 15.472 -7.944 1.00 0.00 C ATOM 943 CG GLN A 57 3.837 16.027 -8.867 1.00 0.00 C ATOM 944 CD GLN A 57 3.886 17.551 -8.736 1.00 0.00 C ATOM 945 OE1 GLN A 57 3.240 18.257 -9.484 1.00 0.00 O ATOM 946 NE2 GLN A 57 4.630 18.090 -7.810 1.00 0.00 N ATOM 0 H GLN A 57 1.660 16.432 -9.873 1.00 0.00 H new ATOM 0 HA GLN A 57 2.199 13.651 -9.019 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.218 16.291 -7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.202 14.874 -7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.804 15.597 -8.607 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.631 15.746 -9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.172 17.497 -7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.669 19.105 -7.714 1.00 0.00 H new ATOM 955 N GLY A 58 0.627 14.259 -6.643 1.00 0.00 N ATOM 956 CA GLY A 58 -0.571 13.995 -5.796 1.00 0.00 C ATOM 957 C GLY A 58 -0.142 13.290 -4.509 1.00 0.00 C ATOM 958 O GLY A 58 0.802 12.525 -4.495 1.00 0.00 O ATOM 0 H GLY A 58 1.505 14.362 -6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.075 14.932 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.285 13.377 -6.341 1.00 0.00 H new ATOM 962 N TYR A 59 -0.827 13.541 -3.428 1.00 0.00 N ATOM 963 CA TYR A 59 -0.458 12.884 -2.142 1.00 0.00 C ATOM 964 C TYR A 59 -0.927 11.427 -2.143 1.00 0.00 C ATOM 965 O TYR A 59 -2.109 11.145 -2.177 1.00 0.00 O ATOM 966 CB TYR A 59 -1.186 13.689 -1.063 1.00 0.00 C ATOM 967 CG TYR A 59 -0.560 13.424 0.286 1.00 0.00 C ATOM 968 CD1 TYR A 59 0.834 13.349 0.414 1.00 0.00 C ATOM 969 CD2 TYR A 59 -1.374 13.256 1.413 1.00 0.00 C ATOM 970 CE1 TYR A 59 1.410 13.105 1.666 1.00 0.00 C ATOM 971 CE2 TYR A 59 -0.797 13.012 2.664 1.00 0.00 C ATOM 972 CZ TYR A 59 0.595 12.936 2.790 1.00 0.00 C ATOM 973 OH TYR A 59 1.163 12.695 4.023 1.00 0.00 O ATOM 0 H TYR A 59 -1.626 14.173 -3.379 1.00 0.00 H new ATOM 0 HA TYR A 59 0.619 12.868 -1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.135 14.753 -1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.241 13.417 -1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.464 13.480 -0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.448 13.315 1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.484 13.047 1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.426 12.882 3.533 1.00 0.00 H new ATOM 0 HH TYR A 59 0.457 12.603 4.696 1.00 0.00 H new ATOM 983 N PHE A 60 -0.011 10.499 -2.111 1.00 0.00 N ATOM 984 CA PHE A 60 -0.404 9.061 -2.114 1.00 0.00 C ATOM 985 C PHE A 60 -0.126 8.433 -0.747 1.00 0.00 C ATOM 986 O PHE A 60 0.925 8.626 -0.167 1.00 0.00 O ATOM 987 CB PHE A 60 0.472 8.415 -3.187 1.00 0.00 C ATOM 988 CG PHE A 60 -0.280 8.376 -4.494 1.00 0.00 C ATOM 989 CD1 PHE A 60 -0.711 9.567 -5.091 1.00 0.00 C ATOM 990 CD2 PHE A 60 -0.549 7.148 -5.106 1.00 0.00 C ATOM 991 CE1 PHE A 60 -1.412 9.527 -6.303 1.00 0.00 C ATOM 992 CE2 PHE A 60 -1.249 7.108 -6.317 1.00 0.00 C ATOM 993 CZ PHE A 60 -1.681 8.297 -6.916 1.00 0.00 C ATOM 0 H PHE A 60 0.993 10.674 -2.083 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.466 8.924 -2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.397 8.979 -3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.750 7.405 -2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.503 10.515 -4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.216 6.230 -4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.745 10.445 -6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.456 6.159 -6.790 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.222 8.266 -7.850 1.00 0.00 H new ATOM 1003 N LEU A 61 -1.059 7.683 -0.226 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.841 7.048 1.106 1.00 0.00 C ATOM 1005 C LEU A 61 -0.781 5.523 0.970 1.00 0.00 C ATOM 1006 O LEU A 61 -1.487 4.931 0.180 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.047 7.467 1.949 1.00 0.00 C ATOM 1008 CG LEU A 61 -3.339 7.159 1.191 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.325 6.456 2.126 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -3.961 8.465 0.690 1.00 0.00 C ATOM 0 H LEU A 61 -1.959 7.483 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 61 0.100 7.359 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.038 6.938 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.992 8.532 2.175 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.115 6.512 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.246 6.237 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.885 5.526 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.548 7.104 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.882 8.246 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.184 9.111 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.261 8.969 0.024 1.00 0.00 H new ATOM 1022 N TRP A 62 0.056 4.886 1.743 1.00 0.00 N ATOM 1023 CA TRP A 62 0.164 3.399 1.672 1.00 0.00 C ATOM 1024 C TRP A 62 -0.286 2.787 3.001 1.00 0.00 C ATOM 1025 O TRP A 62 0.182 3.169 4.055 1.00 0.00 O ATOM 1026 CB TRP A 62 1.647 3.119 1.427 1.00 0.00 C ATOM 1027 CG TRP A 62 1.796 1.862 0.630 1.00 0.00 C ATOM 1028 CD1 TRP A 62 1.491 1.734 -0.681 1.00 0.00 C ATOM 1029 CD2 TRP A 62 2.281 0.557 1.066 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.758 0.437 -1.079 1.00 0.00 N ATOM 1031 CE2 TRP A 62 2.246 -0.327 -0.037 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.742 0.059 2.298 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.654 -1.658 0.077 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 3.154 -1.278 2.417 1.00 0.00 C ATOM 1035 CH2 TRP A 62 3.110 -2.134 1.308 1.00 0.00 C ATOM 0 H TRP A 62 0.672 5.332 2.423 1.00 0.00 H new ATOM 0 HA TRP A 62 -0.462 2.971 0.889 1.00 0.00 H new ATOM 0 HB2 TRP A 62 2.102 3.955 0.895 1.00 0.00 H new ATOM 0 HB3 TRP A 62 2.171 3.023 2.378 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.102 2.518 -1.314 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.612 0.087 -2.026 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.779 0.710 3.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.617 -2.314 -0.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.507 -1.649 3.368 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.429 -3.161 1.406 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.191 1.847 2.968 1.00 0.00 N ATOM 1047 CA TYR A 63 -1.659 1.236 4.242 1.00 0.00 C ATOM 1048 C TYR A 63 -1.723 -0.286 4.115 1.00 0.00 C ATOM 1049 O TYR A 63 -2.266 -0.815 3.165 1.00 0.00 O ATOM 1050 CB TYR A 63 -3.063 1.804 4.451 1.00 0.00 C ATOM 1051 CG TYR A 63 -2.990 3.105 5.214 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -2.441 4.243 4.609 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -3.482 3.175 6.522 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -2.389 5.451 5.312 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -3.426 4.383 7.226 1.00 0.00 C ATOM 1056 CZ TYR A 63 -2.881 5.521 6.622 1.00 0.00 C ATOM 1057 OH TYR A 63 -2.832 6.714 7.315 1.00 0.00 O ATOM 0 H TYR A 63 -1.623 1.479 2.121 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.990 1.457 5.073 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.545 1.966 3.487 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.676 1.087 4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.058 4.188 3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.905 2.297 6.988 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.970 6.330 4.845 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.804 4.437 8.236 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.215 6.589 8.208 1.00 0.00 H new ATOM 1067 N GLN A 64 -1.201 -0.997 5.077 1.00 0.00 N ATOM 1068 CA GLN A 64 -1.270 -2.483 5.010 1.00 0.00 C ATOM 1069 C GLN A 64 -2.527 -2.933 5.756 1.00 0.00 C ATOM 1070 O GLN A 64 -2.785 -2.505 6.864 1.00 0.00 O ATOM 1071 CB GLN A 64 0.016 -2.992 5.684 1.00 0.00 C ATOM 1072 CG GLN A 64 -0.171 -3.094 7.203 1.00 0.00 C ATOM 1073 CD GLN A 64 1.012 -3.851 7.813 1.00 0.00 C ATOM 1074 OE1 GLN A 64 0.841 -4.907 8.387 1.00 0.00 O ATOM 1075 NE2 GLN A 64 2.214 -3.353 7.709 1.00 0.00 N ATOM 0 H GLN A 64 -0.733 -0.617 5.900 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.333 -2.873 3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.283 -3.968 5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.842 -2.317 5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.243 -2.098 7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.104 -3.610 7.432 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.359 -2.466 7.227 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.009 -3.851 8.110 1.00 0.00 H new ATOM 1084 N VAL A 65 -3.339 -3.742 5.143 1.00 0.00 N ATOM 1085 CA VAL A 65 -4.602 -4.151 5.804 1.00 0.00 C ATOM 1086 C VAL A 65 -4.789 -5.670 5.795 1.00 0.00 C ATOM 1087 O VAL A 65 -4.023 -6.403 5.208 1.00 0.00 O ATOM 1088 CB VAL A 65 -5.669 -3.482 4.948 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -5.434 -1.975 4.939 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -5.561 -4.000 3.514 1.00 0.00 C ATOM 0 H VAL A 65 -3.183 -4.136 4.215 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.632 -3.863 6.855 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.655 -3.706 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.196 -1.492 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.490 -1.592 5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.448 -1.763 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.323 -3.524 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.574 -3.766 3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.709 -5.080 3.505 1.00 0.00 H new ATOM 1100 N GLU A 66 -5.821 -6.135 6.442 1.00 0.00 N ATOM 1101 CA GLU A 66 -6.102 -7.597 6.476 1.00 0.00 C ATOM 1102 C GLU A 66 -7.569 -7.821 6.111 1.00 0.00 C ATOM 1103 O GLU A 66 -8.279 -8.581 6.740 1.00 0.00 O ATOM 1104 CB GLU A 66 -5.825 -8.029 7.916 1.00 0.00 C ATOM 1105 CG GLU A 66 -6.797 -7.315 8.856 1.00 0.00 C ATOM 1106 CD GLU A 66 -7.079 -8.205 10.067 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -7.933 -9.069 9.955 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -6.436 -8.010 11.085 1.00 0.00 O ATOM 0 H GLU A 66 -6.489 -5.558 6.954 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.493 -8.167 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.937 -9.109 8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.797 -7.790 8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.374 -6.364 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.726 -7.089 8.333 1.00 0.00 H new ATOM 1115 N MET A 67 -8.019 -7.141 5.098 1.00 0.00 N ATOM 1116 CA MET A 67 -9.437 -7.266 4.661 1.00 0.00 C ATOM 1117 C MET A 67 -9.526 -8.086 3.374 1.00 0.00 C ATOM 1118 O MET A 67 -8.558 -8.213 2.650 1.00 0.00 O ATOM 1119 CB MET A 67 -9.900 -5.829 4.420 1.00 0.00 C ATOM 1120 CG MET A 67 -10.108 -5.132 5.765 1.00 0.00 C ATOM 1121 SD MET A 67 -11.367 -6.019 6.716 1.00 0.00 S ATOM 1122 CE MET A 67 -10.340 -6.388 8.158 1.00 0.00 C ATOM 0 H MET A 67 -7.457 -6.494 4.545 1.00 0.00 H new ATOM 0 HA MET A 67 -10.055 -7.776 5.400 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.159 -5.290 3.829 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.828 -5.825 3.848 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.171 -5.103 6.321 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.417 -4.099 5.607 1.00 0.00 H new ATOM 0 HE1 MET A 67 -10.914 -6.212 9.068 1.00 0.00 H new ATOM 0 HE2 MET A 67 -10.026 -7.431 8.123 1.00 0.00 H new ATOM 0 HE3 MET A 67 -9.461 -5.744 8.153 1.00 0.00 H new ATOM 1132 N PRO A 68 -10.691 -8.623 3.138 1.00 0.00 N ATOM 1133 CA PRO A 68 -10.919 -9.454 1.929 1.00 0.00 C ATOM 1134 C PRO A 68 -10.771 -8.606 0.664 1.00 0.00 C ATOM 1135 O PRO A 68 -10.740 -7.392 0.716 1.00 0.00 O ATOM 1136 CB PRO A 68 -12.351 -9.958 2.108 1.00 0.00 C ATOM 1137 CG PRO A 68 -12.988 -8.958 3.014 1.00 0.00 C ATOM 1138 CD PRO A 68 -11.904 -8.500 3.952 1.00 0.00 C ATOM 0 HA PRO A 68 -10.205 -10.270 1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.873 -10.018 1.153 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.369 -10.957 2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.393 -8.120 2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.818 -9.402 3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.065 -7.475 4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.855 -9.121 4.846 1.00 0.00 H new ATOM 1146 N GLU A 69 -10.655 -9.238 -0.468 1.00 0.00 N ATOM 1147 CA GLU A 69 -10.480 -8.480 -1.740 1.00 0.00 C ATOM 1148 C GLU A 69 -11.784 -7.802 -2.179 1.00 0.00 C ATOM 1149 O GLU A 69 -11.767 -6.881 -2.968 1.00 0.00 O ATOM 1150 CB GLU A 69 -10.059 -9.537 -2.761 1.00 0.00 C ATOM 1151 CG GLU A 69 -11.273 -10.377 -3.165 1.00 0.00 C ATOM 1152 CD GLU A 69 -10.810 -11.765 -3.609 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -10.373 -11.888 -4.742 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -10.898 -12.683 -2.810 1.00 0.00 O ATOM 0 H GLU A 69 -10.674 -10.253 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.748 -7.679 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.629 -9.057 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.286 -10.178 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.964 -10.464 -2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.814 -9.887 -3.974 1.00 0.00 H new ATOM 1161 N ASP A 70 -12.912 -8.255 -1.704 1.00 0.00 N ATOM 1162 CA ASP A 70 -14.195 -7.623 -2.139 1.00 0.00 C ATOM 1163 C ASP A 70 -14.561 -6.418 -1.265 1.00 0.00 C ATOM 1164 O ASP A 70 -15.068 -5.426 -1.749 1.00 0.00 O ATOM 1165 CB ASP A 70 -15.246 -8.725 -2.005 1.00 0.00 C ATOM 1166 CG ASP A 70 -15.605 -8.918 -0.530 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -14.713 -9.239 0.237 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -16.764 -8.742 -0.195 1.00 0.00 O ATOM 0 H ASP A 70 -13.004 -9.025 -1.042 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.122 -7.239 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.137 -8.462 -2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.865 -9.657 -2.422 1.00 0.00 H new ATOM 1173 N ARG A 71 -14.323 -6.491 0.014 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.674 -5.351 0.894 1.00 0.00 C ATOM 1175 C ARG A 71 -13.790 -4.141 0.584 1.00 0.00 C ATOM 1176 O ARG A 71 -14.042 -3.045 1.041 1.00 0.00 O ATOM 1177 CB ARG A 71 -14.421 -5.855 2.314 1.00 0.00 C ATOM 1178 CG ARG A 71 -15.400 -6.988 2.634 1.00 0.00 C ATOM 1179 CD ARG A 71 -16.833 -6.517 2.371 1.00 0.00 C ATOM 1180 NE ARG A 71 -17.628 -7.050 3.512 1.00 0.00 N ATOM 1181 CZ ARG A 71 -18.877 -7.390 3.336 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -19.813 -6.481 3.377 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -19.190 -8.638 3.120 1.00 0.00 N ATOM 0 H ARG A 71 -13.901 -7.291 0.485 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.705 -5.027 0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.394 -6.209 2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.544 -5.041 3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.175 -7.861 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.292 -7.293 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.889 -5.429 2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.205 -6.896 1.419 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.197 -7.150 4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.569 -5.505 3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.788 -6.747 3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.459 -9.349 3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.165 -8.903 2.983 1.00 0.00 H new ATOM 1197 N VAL A 72 -12.755 -4.328 -0.190 1.00 0.00 N ATOM 1198 CA VAL A 72 -11.864 -3.180 -0.518 1.00 0.00 C ATOM 1199 C VAL A 72 -12.588 -2.186 -1.424 1.00 0.00 C ATOM 1200 O VAL A 72 -12.540 -0.990 -1.215 1.00 0.00 O ATOM 1201 CB VAL A 72 -10.660 -3.798 -1.233 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -11.028 -4.153 -2.675 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -9.512 -2.794 -1.242 1.00 0.00 C ATOM 0 H VAL A 72 -12.490 -5.220 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.562 -2.626 0.371 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.360 -4.705 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.164 -4.592 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.849 -4.869 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.333 -3.251 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.652 -3.230 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.823 -1.890 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.239 -2.544 -0.217 1.00 0.00 H new ATOM 1213 N ASN A 73 -13.265 -2.672 -2.422 1.00 0.00 N ATOM 1214 CA ASN A 73 -13.997 -1.752 -3.332 1.00 0.00 C ATOM 1215 C ASN A 73 -15.097 -1.038 -2.550 1.00 0.00 C ATOM 1216 O ASN A 73 -15.499 0.057 -2.885 1.00 0.00 O ATOM 1217 CB ASN A 73 -14.597 -2.650 -4.413 1.00 0.00 C ATOM 1218 CG ASN A 73 -15.071 -1.787 -5.583 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -14.522 -0.734 -5.838 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -16.077 -2.191 -6.310 1.00 0.00 N ATOM 0 H ASN A 73 -13.344 -3.664 -2.647 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.353 -0.986 -3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -13.855 -3.371 -4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.432 -3.221 -4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.402 -1.622 -7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.538 -3.075 -6.096 1.00 0.00 H new ATOM 1227 N ASP A 74 -15.592 -1.659 -1.512 1.00 0.00 N ATOM 1228 CA ASP A 74 -16.671 -1.029 -0.711 1.00 0.00 C ATOM 1229 C ASP A 74 -16.178 0.264 -0.054 1.00 0.00 C ATOM 1230 O ASP A 74 -16.773 1.312 -0.206 1.00 0.00 O ATOM 1231 CB ASP A 74 -17.014 -2.072 0.354 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.203 -1.586 1.186 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -18.348 -0.383 1.329 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -18.947 -2.425 1.664 1.00 0.00 O ATOM 0 H ASP A 74 -15.292 -2.578 -1.187 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.531 -0.755 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.254 -3.024 -0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.152 -2.245 0.999 1.00 0.00 H new ATOM 1239 N LEU A 75 -15.090 0.206 0.667 1.00 0.00 N ATOM 1240 CA LEU A 75 -14.566 1.444 1.315 1.00 0.00 C ATOM 1241 C LEU A 75 -13.977 2.379 0.259 1.00 0.00 C ATOM 1242 O LEU A 75 -14.043 3.588 0.370 1.00 0.00 O ATOM 1243 CB LEU A 75 -13.483 0.967 2.276 1.00 0.00 C ATOM 1244 CG LEU A 75 -14.049 -0.142 3.159 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -13.051 -1.294 3.219 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -14.288 0.400 4.567 1.00 0.00 C ATOM 0 H LEU A 75 -14.544 -0.639 0.835 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.347 2.000 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.621 0.600 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.135 1.797 2.892 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.992 -0.496 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.450 -2.089 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.879 -1.679 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.109 -0.938 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.692 -0.392 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.345 0.752 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.997 1.227 4.523 1.00 0.00 H new ATOM 1258 N ALA A 76 -13.412 1.819 -0.771 1.00 0.00 N ATOM 1259 CA ALA A 76 -12.825 2.659 -1.853 1.00 0.00 C ATOM 1260 C ALA A 76 -13.945 3.436 -2.529 1.00 0.00 C ATOM 1261 O ALA A 76 -13.809 4.587 -2.890 1.00 0.00 O ATOM 1262 CB ALA A 76 -12.188 1.670 -2.830 1.00 0.00 C ATOM 0 H ALA A 76 -13.330 0.812 -0.912 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.092 3.378 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.734 2.216 -3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.422 1.091 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.953 0.997 -3.217 1.00 0.00 H new ATOM 1268 N ARG A 77 -15.052 2.784 -2.694 1.00 0.00 N ATOM 1269 CA ARG A 77 -16.228 3.408 -3.338 1.00 0.00 C ATOM 1270 C ARG A 77 -16.637 4.681 -2.579 1.00 0.00 C ATOM 1271 O ARG A 77 -17.077 5.650 -3.163 1.00 0.00 O ATOM 1272 CB ARG A 77 -17.278 2.292 -3.234 1.00 0.00 C ATOM 1273 CG ARG A 77 -18.611 2.829 -2.711 1.00 0.00 C ATOM 1274 CD ARG A 77 -19.262 3.712 -3.777 1.00 0.00 C ATOM 1275 NE ARG A 77 -19.804 4.880 -3.033 1.00 0.00 N ATOM 1276 CZ ARG A 77 -20.825 5.538 -3.511 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -22.039 5.167 -3.210 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -20.629 6.566 -4.291 1.00 0.00 N ATOM 0 H ARG A 77 -15.194 1.817 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.069 3.738 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.426 1.837 -4.213 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.914 1.508 -2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.273 2.002 -2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.451 3.402 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.536 4.025 -4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.053 3.177 -4.303 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.379 5.166 -2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -22.190 4.363 -2.601 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.837 5.681 -3.584 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.679 6.854 -4.526 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.426 7.081 -4.665 1.00 0.00 H new ATOM 1292 N GLU A 78 -16.495 4.680 -1.281 1.00 0.00 N ATOM 1293 CA GLU A 78 -16.877 5.884 -0.484 1.00 0.00 C ATOM 1294 C GLU A 78 -15.880 7.022 -0.723 1.00 0.00 C ATOM 1295 O GLU A 78 -16.244 8.179 -0.768 1.00 0.00 O ATOM 1296 CB GLU A 78 -16.826 5.429 0.975 1.00 0.00 C ATOM 1297 CG GLU A 78 -17.462 4.045 1.106 1.00 0.00 C ATOM 1298 CD GLU A 78 -17.922 3.828 2.549 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -17.093 3.943 3.437 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -19.094 3.551 2.740 1.00 0.00 O ATOM 0 H GLU A 78 -16.131 3.898 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.861 6.262 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.793 5.399 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.353 6.143 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -18.309 3.957 0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.744 3.275 0.822 1.00 0.00 H new ATOM 1307 N LEU A 79 -14.624 6.703 -0.866 1.00 0.00 N ATOM 1308 CA LEU A 79 -13.603 7.769 -1.091 1.00 0.00 C ATOM 1309 C LEU A 79 -13.971 8.621 -2.310 1.00 0.00 C ATOM 1310 O LEU A 79 -13.815 9.825 -2.307 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.297 7.010 -1.344 1.00 0.00 C ATOM 1312 CG LEU A 79 -11.517 6.854 -0.035 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -11.383 8.213 0.653 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -12.259 5.884 0.888 1.00 0.00 C ATOM 0 H LEU A 79 -14.258 5.751 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.529 8.452 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.513 6.029 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.692 7.546 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.523 6.463 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.827 8.097 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.851 8.902 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.375 8.610 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.705 5.772 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -13.254 6.275 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.348 4.913 0.400 1.00 0.00 H new ATOM 1326 N ARG A 80 -14.450 8.005 -3.357 1.00 0.00 N ATOM 1327 CA ARG A 80 -14.817 8.778 -4.580 1.00 0.00 C ATOM 1328 C ARG A 80 -15.963 9.754 -4.291 1.00 0.00 C ATOM 1329 O ARG A 80 -16.133 10.741 -4.977 1.00 0.00 O ATOM 1330 CB ARG A 80 -15.261 7.721 -5.592 1.00 0.00 C ATOM 1331 CG ARG A 80 -15.995 8.398 -6.749 1.00 0.00 C ATOM 1332 CD ARG A 80 -15.089 9.458 -7.378 1.00 0.00 C ATOM 1333 NE ARG A 80 -15.865 9.991 -8.532 1.00 0.00 N ATOM 1334 CZ ARG A 80 -15.309 10.834 -9.359 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -14.013 10.842 -9.509 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -16.051 11.667 -10.037 1.00 0.00 N ATOM 0 H ARG A 80 -14.603 6.999 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.984 9.380 -4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.395 7.175 -5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.913 6.993 -5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.279 7.657 -7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -16.916 8.858 -6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.850 10.247 -6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.143 9.026 -7.704 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.831 9.697 -8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.434 10.189 -8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.578 11.501 -10.155 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.064 11.659 -9.920 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.617 12.326 -10.683 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.761 9.479 -3.297 1.00 0.00 N ATOM 1351 CA ILE A 81 -17.903 10.385 -2.989 1.00 0.00 C ATOM 1352 C ILE A 81 -17.415 11.766 -2.529 1.00 0.00 C ATOM 1353 O ILE A 81 -18.115 12.749 -2.666 1.00 0.00 O ATOM 1354 CB ILE A 81 -18.668 9.682 -1.865 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.488 8.530 -2.453 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -19.608 10.677 -1.180 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.420 7.964 -1.380 1.00 0.00 C ATOM 0 H ILE A 81 -16.672 8.668 -2.685 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.524 10.563 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.960 9.293 -1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -20.069 8.882 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.824 7.748 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.151 10.173 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.026 11.499 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.317 11.069 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -21.003 7.144 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -19.829 7.596 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.094 8.748 -1.033 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.234 11.860 -1.975 1.00 0.00 N ATOM 1370 CA ARG A 82 -15.754 13.195 -1.508 1.00 0.00 C ATOM 1371 C ARG A 82 -15.276 14.049 -2.676 1.00 0.00 C ATOM 1372 O ARG A 82 -14.976 13.565 -3.749 1.00 0.00 O ATOM 1373 CB ARG A 82 -14.598 12.927 -0.556 1.00 0.00 C ATOM 1374 CG ARG A 82 -13.996 14.257 -0.093 1.00 0.00 C ATOM 1375 CD ARG A 82 -13.286 14.059 1.248 1.00 0.00 C ATOM 1376 NE ARG A 82 -13.390 15.377 1.934 1.00 0.00 N ATOM 1377 CZ ARG A 82 -14.525 15.756 2.458 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -15.005 15.131 3.499 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -15.178 16.760 1.944 1.00 0.00 N ATOM 0 H ARG A 82 -15.590 11.083 -1.827 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.561 13.742 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.947 12.355 0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.837 12.325 -1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.292 14.628 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.780 15.008 0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.759 13.270 1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.245 13.769 1.105 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.573 15.985 1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.494 14.347 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.891 15.427 3.908 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.803 17.250 1.132 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.064 17.055 2.354 1.00 0.00 H new ATOM 1393 N ASP A 83 -15.214 15.322 -2.451 1.00 0.00 N ATOM 1394 CA ASP A 83 -14.763 16.269 -3.513 1.00 0.00 C ATOM 1395 C ASP A 83 -13.247 16.178 -3.735 1.00 0.00 C ATOM 1396 O ASP A 83 -12.776 16.134 -4.854 1.00 0.00 O ATOM 1397 CB ASP A 83 -15.163 17.659 -3.007 1.00 0.00 C ATOM 1398 CG ASP A 83 -14.141 18.161 -1.985 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -13.876 17.440 -1.038 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -13.640 19.259 -2.167 1.00 0.00 O ATOM 0 H ASP A 83 -15.459 15.761 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.219 16.040 -4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -15.224 18.355 -3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -16.153 17.618 -2.553 1.00 0.00 H new ATOM 1405 N ASN A 84 -12.479 16.175 -2.678 1.00 0.00 N ATOM 1406 CA ASN A 84 -10.994 16.115 -2.831 1.00 0.00 C ATOM 1407 C ASN A 84 -10.550 14.765 -3.397 1.00 0.00 C ATOM 1408 O ASN A 84 -9.468 14.635 -3.932 1.00 0.00 O ATOM 1409 CB ASN A 84 -10.445 16.308 -1.419 1.00 0.00 C ATOM 1410 CG ASN A 84 -10.152 17.791 -1.184 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -11.050 18.566 -0.923 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -8.923 18.221 -1.269 1.00 0.00 N ATOM 0 H ASN A 84 -12.815 16.211 -1.715 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.630 16.872 -3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.166 15.948 -0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.536 15.721 -1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.716 19.208 -1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.169 17.570 -1.488 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.370 13.758 -3.284 1.00 0.00 N ATOM 1420 CA VAL A 85 -10.978 12.427 -3.817 1.00 0.00 C ATOM 1421 C VAL A 85 -11.233 12.367 -5.324 1.00 0.00 C ATOM 1422 O VAL A 85 -12.333 12.594 -5.788 1.00 0.00 O ATOM 1423 CB VAL A 85 -11.867 11.436 -3.072 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.603 10.026 -3.594 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.546 11.492 -1.579 1.00 0.00 C ATOM 0 H VAL A 85 -12.291 13.800 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.919 12.211 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.914 11.693 -3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.237 9.317 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.826 9.985 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.556 9.768 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.180 10.785 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.499 11.232 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.730 12.499 -1.205 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.219 12.075 -6.093 1.00 0.00 N ATOM 1436 CA ARG A 86 -10.398 12.013 -7.571 1.00 0.00 C ATOM 1437 C ARG A 86 -10.602 10.567 -8.033 1.00 0.00 C ATOM 1438 O ARG A 86 -11.365 10.300 -8.939 1.00 0.00 O ATOM 1439 CB ARG A 86 -9.094 12.574 -8.142 1.00 0.00 C ATOM 1440 CG ARG A 86 -9.411 13.615 -9.216 1.00 0.00 C ATOM 1441 CD ARG A 86 -8.132 14.368 -9.586 1.00 0.00 C ATOM 1442 NE ARG A 86 -7.325 13.390 -10.364 1.00 0.00 N ATOM 1443 CZ ARG A 86 -7.739 12.988 -11.533 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -7.478 13.698 -12.597 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -8.420 11.879 -11.639 1.00 0.00 N ATOM 0 H ARG A 86 -9.275 11.877 -5.761 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.273 12.572 -7.902 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.502 13.026 -7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.495 11.769 -8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.828 13.129 -10.098 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.164 14.313 -8.851 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.353 15.257 -10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.598 14.702 -8.696 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.448 13.034 -9.983 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.950 14.567 -12.513 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.802 13.384 -13.512 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.628 11.327 -10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.744 11.565 -12.554 1.00 0.00 H new ATOM 1459 N ARG A 87 -9.925 9.631 -7.423 1.00 0.00 N ATOM 1460 CA ARG A 87 -10.084 8.212 -7.841 1.00 0.00 C ATOM 1461 C ARG A 87 -9.441 7.281 -6.802 1.00 0.00 C ATOM 1462 O ARG A 87 -8.640 7.697 -5.987 1.00 0.00 O ATOM 1463 CB ARG A 87 -9.366 8.138 -9.201 1.00 0.00 C ATOM 1464 CG ARG A 87 -8.547 6.847 -9.317 1.00 0.00 C ATOM 1465 CD ARG A 87 -7.834 6.809 -10.672 1.00 0.00 C ATOM 1466 NE ARG A 87 -6.412 7.130 -10.368 1.00 0.00 N ATOM 1467 CZ ARG A 87 -5.522 7.120 -11.323 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -5.854 7.494 -12.530 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -4.300 6.738 -11.073 1.00 0.00 N ATOM 0 H ARG A 87 -9.271 9.789 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.125 7.898 -7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.099 8.182 -10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.711 9.001 -9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.817 6.794 -8.509 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.200 5.980 -9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.926 5.829 -11.139 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.263 7.534 -11.364 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.133 7.358 -9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.809 7.794 -12.726 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.158 7.486 -13.276 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.039 6.447 -10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.605 6.730 -11.820 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.783 6.022 -6.837 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.192 5.055 -5.869 1.00 0.00 C ATOM 1485 C VAL A 88 -8.664 3.832 -6.619 1.00 0.00 C ATOM 1486 O VAL A 88 -9.331 3.281 -7.471 1.00 0.00 O ATOM 1487 CB VAL A 88 -10.342 4.660 -4.944 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -9.858 3.603 -3.949 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -10.826 5.895 -4.180 1.00 0.00 C ATOM 0 H VAL A 88 -10.449 5.620 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.357 5.481 -5.313 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.161 4.252 -5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.679 3.321 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.511 2.724 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.039 4.010 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.647 5.616 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.006 6.301 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.171 6.649 -4.888 1.00 0.00 H new ATOM 1499 N MET A 89 -7.471 3.403 -6.315 1.00 0.00 N ATOM 1500 CA MET A 89 -6.908 2.217 -7.022 1.00 0.00 C ATOM 1501 C MET A 89 -6.717 1.054 -6.045 1.00 0.00 C ATOM 1502 O MET A 89 -6.164 1.213 -4.975 1.00 0.00 O ATOM 1503 CB MET A 89 -5.560 2.686 -7.571 1.00 0.00 C ATOM 1504 CG MET A 89 -5.466 2.336 -9.056 1.00 0.00 C ATOM 1505 SD MET A 89 -3.838 1.628 -9.408 1.00 0.00 S ATOM 1506 CE MET A 89 -4.325 0.640 -10.844 1.00 0.00 C ATOM 0 H MET A 89 -6.863 3.820 -5.610 1.00 0.00 H new ATOM 0 HA MET A 89 -7.567 1.858 -7.812 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.453 3.762 -7.432 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.747 2.211 -7.022 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.249 1.626 -9.323 1.00 0.00 H new ATOM 0 HG3 MET A 89 -5.625 3.228 -9.662 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.456 0.107 -11.231 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.089 -0.079 -10.549 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.723 1.296 -11.619 1.00 0.00 H new ATOM 1516 N VAL A 90 -7.169 -0.114 -6.409 1.00 0.00 N ATOM 1517 CA VAL A 90 -7.014 -1.290 -5.504 1.00 0.00 C ATOM 1518 C VAL A 90 -5.949 -2.241 -6.058 1.00 0.00 C ATOM 1519 O VAL A 90 -6.077 -2.764 -7.148 1.00 0.00 O ATOM 1520 CB VAL A 90 -8.390 -1.957 -5.487 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -8.261 -3.401 -4.999 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -9.315 -1.184 -4.545 1.00 0.00 C ATOM 0 H VAL A 90 -7.639 -0.306 -7.294 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.691 -1.008 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.804 -1.954 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.244 -3.871 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.602 -3.954 -5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.845 -3.409 -3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.297 -1.657 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.895 -1.188 -3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.412 -0.156 -4.894 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.898 -2.462 -5.318 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.822 -3.372 -5.801 1.00 0.00 C ATOM 1534 C VAL A 91 -3.553 -4.473 -4.769 1.00 0.00 C ATOM 1535 O VAL A 91 -3.585 -4.240 -3.577 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.600 -2.470 -5.955 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -2.784 -1.565 -7.175 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -2.443 -1.606 -4.701 1.00 0.00 C ATOM 0 H VAL A 91 -4.738 -2.051 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.085 -3.874 -6.732 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.710 -3.085 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.912 -0.921 -7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.898 -2.178 -8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.674 -0.950 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.571 -0.962 -4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.334 -0.992 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.313 -2.249 -3.830 1.00 0.00 H new ATOM 1548 N LYS A 92 -3.288 -5.671 -5.217 1.00 0.00 N ATOM 1549 CA LYS A 92 -3.015 -6.782 -4.258 1.00 0.00 C ATOM 1550 C LYS A 92 -1.543 -6.768 -3.836 1.00 0.00 C ATOM 1551 O LYS A 92 -0.694 -6.241 -4.527 1.00 0.00 O ATOM 1552 CB LYS A 92 -3.344 -8.064 -5.026 1.00 0.00 C ATOM 1553 CG LYS A 92 -2.326 -8.263 -6.151 1.00 0.00 C ATOM 1554 CD LYS A 92 -3.062 -8.385 -7.487 1.00 0.00 C ATOM 1555 CE LYS A 92 -2.310 -9.355 -8.400 1.00 0.00 C ATOM 1556 NZ LYS A 92 -1.226 -8.540 -9.016 1.00 0.00 N ATOM 0 H LYS A 92 -3.249 -5.929 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.606 -6.693 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.327 -8.919 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.351 -8.004 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.632 -7.423 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.734 -9.159 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.079 -8.739 -7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.138 -7.407 -7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.902 -10.193 -7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.970 -9.774 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.665 -9.136 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.645 -7.754 -9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.610 -8.160 -8.269 1.00 0.00 H new ATOM 1570 N SER A 93 -1.234 -7.341 -2.704 1.00 0.00 N ATOM 1571 CA SER A 93 0.180 -7.357 -2.235 1.00 0.00 C ATOM 1572 C SER A 93 0.453 -8.617 -1.407 1.00 0.00 C ATOM 1573 O SER A 93 0.598 -8.557 -0.202 1.00 0.00 O ATOM 1574 CB SER A 93 0.316 -6.109 -1.367 1.00 0.00 C ATOM 1575 OG SER A 93 -0.965 -5.744 -0.867 1.00 0.00 O ATOM 0 H SER A 93 -1.901 -7.799 -2.083 1.00 0.00 H new ATOM 0 HA SER A 93 0.890 -7.363 -3.062 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.001 -6.299 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.739 -5.291 -1.950 1.00 0.00 H new ATOM 0 HG SER A 93 -1.369 -6.511 -0.410 1.00 0.00 H new ATOM 1581 N GLN A 94 0.525 -9.756 -2.040 1.00 0.00 N ATOM 1582 CA GLN A 94 0.789 -11.013 -1.286 1.00 0.00 C ATOM 1583 C GLN A 94 2.042 -11.702 -1.845 1.00 0.00 C ATOM 1584 O GLN A 94 2.539 -11.348 -2.896 1.00 0.00 O ATOM 1585 CB GLN A 94 -0.469 -11.866 -1.507 1.00 0.00 C ATOM 1586 CG GLN A 94 -0.113 -13.355 -1.472 1.00 0.00 C ATOM 1587 CD GLN A 94 -1.392 -14.187 -1.577 1.00 0.00 C ATOM 1588 OE1 GLN A 94 -2.482 -13.655 -1.525 1.00 0.00 O ATOM 1589 NE2 GLN A 94 -1.303 -15.481 -1.726 1.00 0.00 N ATOM 0 H GLN A 94 0.412 -9.870 -3.047 1.00 0.00 H new ATOM 0 HA GLN A 94 0.977 -10.846 -0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.208 -11.643 -0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.923 -11.616 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.560 -13.598 -2.294 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.413 -13.593 -0.548 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.387 -15.928 -1.770 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.149 -16.045 -1.799 1.00 0.00 H new ATOM 1598 N GLU A 95 2.554 -12.679 -1.149 1.00 0.00 N ATOM 1599 CA GLU A 95 3.773 -13.386 -1.640 1.00 0.00 C ATOM 1600 C GLU A 95 3.459 -14.864 -1.898 1.00 0.00 C ATOM 1601 O GLU A 95 2.882 -15.531 -1.063 1.00 0.00 O ATOM 1602 CB GLU A 95 4.791 -13.240 -0.510 1.00 0.00 C ATOM 1603 CG GLU A 95 4.896 -11.767 -0.109 1.00 0.00 C ATOM 1604 CD GLU A 95 6.336 -11.449 0.300 1.00 0.00 C ATOM 1605 OE1 GLU A 95 6.840 -12.116 1.187 1.00 0.00 O ATOM 1606 OE2 GLU A 95 6.909 -10.542 -0.283 1.00 0.00 O ATOM 0 H GLU A 95 2.182 -13.019 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 95 4.144 -12.974 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.488 -13.841 0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.764 -13.611 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.594 -11.131 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.217 -11.555 0.717 1.00 0.00 H new ATOM 1613 N PRO A 96 3.850 -15.326 -3.057 1.00 0.00 N ATOM 1614 CA PRO A 96 3.607 -16.739 -3.436 1.00 0.00 C ATOM 1615 C PRO A 96 4.553 -17.670 -2.669 1.00 0.00 C ATOM 1616 O PRO A 96 5.751 -17.471 -2.646 1.00 0.00 O ATOM 1617 CB PRO A 96 3.907 -16.767 -4.933 1.00 0.00 C ATOM 1618 CG PRO A 96 4.842 -15.622 -5.165 1.00 0.00 C ATOM 1619 CD PRO A 96 4.548 -14.583 -4.112 1.00 0.00 C ATOM 0 HA PRO A 96 2.597 -17.077 -3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.362 -17.713 -5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.995 -16.656 -5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.879 -15.953 -5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.702 -15.208 -6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.464 -14.126 -3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 96 3.929 -13.778 -4.509 1.00 0.00 H new ATOM 1627 N PHE A 97 4.023 -18.685 -2.042 1.00 0.00 N ATOM 1628 CA PHE A 97 4.891 -19.625 -1.276 1.00 0.00 C ATOM 1629 C PHE A 97 4.374 -21.060 -1.419 1.00 0.00 C ATOM 1630 O PHE A 97 3.204 -21.329 -1.232 1.00 0.00 O ATOM 1631 CB PHE A 97 4.789 -19.162 0.177 1.00 0.00 C ATOM 1632 CG PHE A 97 6.084 -19.454 0.895 1.00 0.00 C ATOM 1633 CD1 PHE A 97 7.108 -18.502 0.904 1.00 0.00 C ATOM 1634 CD2 PHE A 97 6.258 -20.675 1.557 1.00 0.00 C ATOM 1635 CE1 PHE A 97 8.309 -18.769 1.572 1.00 0.00 C ATOM 1636 CE2 PHE A 97 7.460 -20.944 2.226 1.00 0.00 C ATOM 1637 CZ PHE A 97 8.484 -19.991 2.234 1.00 0.00 C ATOM 0 H PHE A 97 3.027 -18.904 -2.027 1.00 0.00 H new ATOM 0 HA PHE A 97 5.920 -19.621 -1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.574 -18.094 0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.963 -19.671 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 97 6.972 -17.559 0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.466 -21.410 1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 97 9.100 -18.034 1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 97 7.596 -21.887 2.735 1.00 0.00 H new ATOM 0 HZ PHE A 97 9.410 -20.197 2.751 1.00 0.00 H new ATOM 1647 N LEU A 98 5.236 -21.985 -1.746 1.00 0.00 N ATOM 1648 CA LEU A 98 4.790 -23.399 -1.897 1.00 0.00 C ATOM 1649 C LEU A 98 5.966 -24.351 -1.656 1.00 0.00 C ATOM 1650 O LEU A 98 6.525 -24.911 -2.579 1.00 0.00 O ATOM 1651 CB LEU A 98 4.295 -23.510 -3.340 1.00 0.00 C ATOM 1652 CG LEU A 98 2.891 -24.120 -3.353 1.00 0.00 C ATOM 1653 CD1 LEU A 98 1.935 -23.189 -4.103 1.00 0.00 C ATOM 1654 CD2 LEU A 98 2.931 -25.480 -4.055 1.00 0.00 C ATOM 0 H LEU A 98 6.229 -21.822 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 98 4.013 -23.666 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.279 -22.525 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.977 -24.129 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 98 2.543 -24.249 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.936 -23.624 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.905 -22.220 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.283 -23.059 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.931 -25.914 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.280 -25.350 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.610 -26.145 -3.522 1.00 0.00 H new ATOM 1666 N ALA A 99 6.346 -24.537 -0.421 1.00 0.00 N ATOM 1667 CA ALA A 99 7.485 -25.451 -0.119 1.00 0.00 C ATOM 1668 C ALA A 99 6.996 -26.653 0.697 1.00 0.00 C ATOM 1669 O ALA A 99 7.485 -26.923 1.776 1.00 0.00 O ATOM 1670 CB ALA A 99 8.464 -24.607 0.700 1.00 0.00 C ATOM 0 H ALA A 99 5.917 -24.095 0.392 1.00 0.00 H new ATOM 0 HA ALA A 99 7.948 -25.848 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.333 -25.210 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.784 -23.747 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.974 -24.262 1.610 1.00 0.00 H new ATOM 1676 N ASN A 100 6.034 -27.374 0.188 1.00 0.00 N ATOM 1677 CA ASN A 100 5.515 -28.558 0.934 1.00 0.00 C ATOM 1678 C ASN A 100 4.436 -29.268 0.111 1.00 0.00 C ATOM 1679 O ASN A 100 4.069 -28.829 -0.959 1.00 0.00 O ATOM 1680 CB ASN A 100 4.919 -27.987 2.220 1.00 0.00 C ATOM 1681 CG ASN A 100 5.718 -28.492 3.423 1.00 0.00 C ATOM 1682 OD1 ASN A 100 6.401 -27.729 4.076 1.00 0.00 O ATOM 1683 ND2 ASN A 100 5.660 -29.756 3.745 1.00 0.00 N ATOM 0 H ASN A 100 5.585 -27.196 -0.710 1.00 0.00 H new ATOM 0 HA ASN A 100 6.294 -29.292 1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.938 -26.898 2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.875 -28.285 2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 100 6.188 -30.103 4.545 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.086 -30.396 3.196 1.00 0.00 H new ATOM 1690 N ALA A 101 3.924 -30.362 0.607 1.00 0.00 N ATOM 1691 CA ALA A 101 2.867 -31.098 -0.146 1.00 0.00 C ATOM 1692 C ALA A 101 1.481 -30.592 0.262 1.00 0.00 C ATOM 1693 O ALA A 101 0.513 -31.276 -0.030 1.00 0.00 O ATOM 1694 CB ALA A 101 3.044 -32.563 0.250 1.00 0.00 C ATOM 1695 OXT ALA A 101 1.412 -29.533 0.861 1.00 0.00 O ATOM 0 H ALA A 101 4.191 -30.778 1.499 1.00 0.00 H new ATOM 0 HA ALA A 101 2.952 -30.957 -1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.300 -33.171 -0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.043 -32.897 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.915 -32.667 1.327 1.00 0.00 H new TER 1701 ALA A 101