USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 770 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 TYR OH : rot -4:sc= -0.894 USER MOD Set 1.2: A 55 HIS : no HE2:sc= -0.633 K(o=-1.5,f=-2.4) USER MOD Set 2.1: A 53 THR OG1 : rot 152:sc= 0.0938 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.455 K(o=-0.36,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0236 (180deg=-0.212) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.162 K(o=-0.16,f=-3) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 8 ASN : amide:sc= -3 K(o=-3,f=-13!) USER MOD Single : A 9 ASN : amide:sc= -0.0926 K(o=-0.093,f=-1.7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 103:sc= 1.25 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc=-0.00189 (180deg=-0.116) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 35 ASN : amide:sc= -1.35 K(o=-1.4,f=-6.1!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= 0.309 (180deg=0.0396) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 112:sc= -1.51! USER MOD Single : A 48 HIS :FLIP no HD1:sc= -2.13 F(o=-2.9,f=-2.1) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -22:sc= 0.347 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot -21:sc= 0.126 USER MOD Single : A 68 GLN : amide:sc= -0.74 K(o=-0.74,f=-3.5!) USER MOD Single : A 70 MET CE :methyl 140:sc= -0.527 (180deg=-3.6!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0372 K(o=-0.037,f=-1.1) USER MOD Single : A 86 THR OG1 : rot 75:sc= 0.68 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS :FLIP no HE2:sc= -3.12 F(o=-7.3!,f=-3.1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.287 -14.679 -6.137 1.00 0.00 N ATOM 2 CA MET A 1 0.960 -15.199 -5.518 1.00 0.00 C ATOM 3 C MET A 1 1.729 -14.091 -4.808 1.00 0.00 C ATOM 4 O MET A 1 2.439 -14.341 -3.834 1.00 0.00 O ATOM 5 CB MET A 1 1.825 -15.821 -6.619 1.00 0.00 C ATOM 6 CG MET A 1 1.599 -17.313 -6.800 1.00 0.00 C ATOM 7 SD MET A 1 1.980 -18.259 -5.313 1.00 0.00 S ATOM 8 CE MET A 1 0.804 -19.602 -5.455 1.00 0.00 C ATOM 0 H1 MET A 1 -0.871 -15.475 -6.464 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.818 -14.126 -5.435 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.046 -14.072 -6.946 1.00 0.00 H new ATOM 0 HA MET A 1 0.703 -15.949 -4.770 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.619 -15.314 -7.562 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.875 -15.647 -6.386 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.560 -17.488 -7.081 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.217 -17.673 -7.623 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.916 -20.275 -4.605 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.209 -19.199 -5.467 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.988 -20.150 -6.379 1.00 0.00 H new ATOM 20 N GLN A 2 1.581 -12.865 -5.299 1.00 0.00 N ATOM 21 CA GLN A 2 2.259 -11.717 -4.707 1.00 0.00 C ATOM 22 C GLN A 2 1.269 -10.832 -3.951 1.00 0.00 C ATOM 23 O GLN A 2 1.058 -11.011 -2.753 1.00 0.00 O ATOM 24 CB GLN A 2 2.980 -10.909 -5.791 1.00 0.00 C ATOM 25 CG GLN A 2 4.217 -11.600 -6.343 1.00 0.00 C ATOM 26 CD GLN A 2 4.018 -12.114 -7.754 1.00 0.00 C ATOM 27 OE1 GLN A 2 3.283 -13.213 -7.885 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 4.516 -11.532 -8.718 1.00 0.00 N flip ATOM 0 H GLN A 2 0.998 -12.641 -6.105 1.00 0.00 H new ATOM 0 HA GLN A 2 2.998 -12.085 -3.995 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.287 -10.715 -6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.267 -9.941 -5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.054 -10.902 -6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.485 -12.432 -5.692 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.074 -10.691 -8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.370 -11.891 -9.661 1.00 0.00 H new ATOM 37 N LEU A 3 0.658 -9.880 -4.653 1.00 0.00 N ATOM 38 CA LEU A 3 -0.311 -8.984 -4.035 1.00 0.00 C ATOM 39 C LEU A 3 -1.646 -9.037 -4.769 1.00 0.00 C ATOM 40 O LEU A 3 -1.687 -9.156 -5.994 1.00 0.00 O ATOM 41 CB LEU A 3 0.225 -7.551 -4.010 1.00 0.00 C ATOM 42 CG LEU A 3 0.299 -6.854 -5.369 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.518 -5.360 -5.187 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.407 -7.457 -6.219 1.00 0.00 C ATOM 0 H LEU A 3 0.817 -9.711 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.472 -9.315 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.407 -6.957 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.223 -7.562 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.649 -7.004 -5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.568 -4.878 -6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.309 -4.938 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.452 -5.192 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.444 -6.948 -7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.363 -7.338 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.209 -8.517 -6.376 1.00 0.00 H new ATOM 56 N ASN A 4 -2.737 -8.950 -4.015 1.00 0.00 N ATOM 57 CA ASN A 4 -4.073 -8.988 -4.595 1.00 0.00 C ATOM 58 C ASN A 4 -4.945 -7.876 -4.023 1.00 0.00 C ATOM 59 O ASN A 4 -4.813 -7.508 -2.856 1.00 0.00 O ATOM 60 CB ASN A 4 -4.727 -10.348 -4.337 1.00 0.00 C ATOM 61 CG ASN A 4 -6.032 -10.513 -5.090 1.00 0.00 C ATOM 62 OD1 ASN A 4 -6.287 -9.819 -6.074 1.00 0.00 O ATOM 63 ND2 ASN A 4 -6.868 -11.437 -4.629 1.00 0.00 N ATOM 0 H ASN A 4 -2.721 -8.853 -3.000 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.979 -8.836 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.039 -11.141 -4.630 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.910 -10.464 -3.269 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.762 -11.594 -5.094 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.616 -11.990 -3.810 1.00 0.00 H new ATOM 70 N ILE A 5 -5.836 -7.341 -4.852 1.00 0.00 N ATOM 71 CA ILE A 5 -6.727 -6.269 -4.423 1.00 0.00 C ATOM 72 C ILE A 5 -8.150 -6.775 -4.225 1.00 0.00 C ATOM 73 O ILE A 5 -8.637 -7.611 -4.986 1.00 0.00 O ATOM 74 CB ILE A 5 -6.752 -5.112 -5.442 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.329 -4.691 -5.812 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.531 -3.932 -4.881 1.00 0.00 C ATOM 77 CD1 ILE A 5 -5.280 -3.570 -6.827 1.00 0.00 C ATOM 0 H ILE A 5 -5.960 -7.631 -5.822 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.336 -5.904 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.251 -5.457 -6.347 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.804 -4.377 -4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.794 -5.554 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.541 -3.122 -5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.554 -4.240 -4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.057 -3.587 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.241 -3.321 -7.044 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.776 -3.887 -7.744 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.787 -2.693 -6.425 1.00 0.00 H new ATOM 89 N THR A 6 -8.816 -6.250 -3.204 1.00 0.00 N ATOM 90 CA THR A 6 -10.190 -6.625 -2.900 1.00 0.00 C ATOM 91 C THR A 6 -10.918 -5.443 -2.275 1.00 0.00 C ATOM 92 O THR A 6 -10.527 -4.960 -1.215 1.00 0.00 O ATOM 93 CB THR A 6 -10.217 -7.817 -1.943 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.182 -8.733 -2.255 1.00 0.00 O ATOM 95 CG2 THR A 6 -11.526 -8.575 -1.967 1.00 0.00 C ATOM 0 H THR A 6 -8.422 -5.557 -2.568 1.00 0.00 H new ATOM 0 HA THR A 6 -10.691 -6.909 -3.826 1.00 0.00 H new ATOM 0 HB THR A 6 -10.082 -7.392 -0.948 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.214 -9.488 -1.631 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.477 -9.408 -1.265 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.339 -7.907 -1.681 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.707 -8.957 -2.972 1.00 0.00 H new ATOM 103 N GLY A 7 -11.966 -4.970 -2.937 1.00 0.00 N ATOM 104 CA GLY A 7 -12.703 -3.832 -2.421 1.00 0.00 C ATOM 105 C GLY A 7 -14.144 -4.146 -2.087 1.00 0.00 C ATOM 106 O GLY A 7 -14.668 -5.197 -2.457 1.00 0.00 O ATOM 0 H GLY A 7 -12.317 -5.350 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.203 -3.462 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.676 -3.028 -3.157 1.00 0.00 H new ATOM 110 N ASN A 8 -14.788 -3.213 -1.395 1.00 0.00 N ATOM 111 CA ASN A 8 -16.185 -3.352 -1.010 1.00 0.00 C ATOM 112 C ASN A 8 -16.982 -2.152 -1.506 1.00 0.00 C ATOM 113 O ASN A 8 -16.823 -1.040 -1.005 1.00 0.00 O ATOM 114 CB ASN A 8 -16.320 -3.489 0.512 1.00 0.00 C ATOM 115 CG ASN A 8 -15.286 -2.679 1.272 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.646 -1.788 0.716 1.00 0.00 O ATOM 117 ND2 ASN A 8 -15.116 -2.989 2.552 1.00 0.00 N ATOM 0 H ASN A 8 -14.357 -2.342 -1.086 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.583 -4.257 -1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.318 -3.170 0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.225 -4.539 0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.433 -2.480 3.114 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.668 -3.736 2.974 1.00 0.00 H new ATOM 124 N ASN A 9 -17.828 -2.377 -2.507 1.00 0.00 N ATOM 125 CA ASN A 9 -18.633 -1.306 -3.083 1.00 0.00 C ATOM 126 C ASN A 9 -17.743 -0.331 -3.848 1.00 0.00 C ATOM 127 O ASN A 9 -17.906 0.886 -3.750 1.00 0.00 O ATOM 128 CB ASN A 9 -19.403 -0.562 -1.989 1.00 0.00 C ATOM 129 CG ASN A 9 -20.659 0.104 -2.517 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.968 0.018 -3.705 1.00 0.00 O ATOM 131 ND2 ASN A 9 -21.392 0.770 -1.633 1.00 0.00 N ATOM 0 H ASN A 9 -17.973 -3.291 -2.936 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.351 -1.749 -3.773 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.671 -1.262 -1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.756 0.192 -1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.249 1.236 -1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.098 0.815 -0.657 1.00 0.00 H new ATOM 138 N VAL A 10 -16.798 -0.876 -4.608 1.00 0.00 N ATOM 139 CA VAL A 10 -15.875 -0.058 -5.388 1.00 0.00 C ATOM 140 C VAL A 10 -15.417 -0.782 -6.648 1.00 0.00 C ATOM 141 O VAL A 10 -15.034 -1.952 -6.599 1.00 0.00 O ATOM 142 CB VAL A 10 -14.632 0.328 -4.568 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.948 1.478 -3.625 1.00 0.00 C ATOM 144 CG2 VAL A 10 -14.110 -0.871 -3.800 1.00 0.00 C ATOM 0 H VAL A 10 -16.651 -1.881 -4.700 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.422 0.843 -5.664 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.854 0.658 -5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.056 1.736 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -15.272 2.344 -4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.743 1.180 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.231 -0.580 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.883 -1.234 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.841 -1.662 -4.500 1.00 0.00 H new ATOM 154 N GLU A 11 -15.452 -0.079 -7.776 1.00 0.00 N ATOM 155 CA GLU A 11 -15.032 -0.654 -9.047 1.00 0.00 C ATOM 156 C GLU A 11 -13.523 -0.524 -9.223 1.00 0.00 C ATOM 157 O GLU A 11 -12.988 0.584 -9.260 1.00 0.00 O ATOM 158 CB GLU A 11 -15.756 0.033 -10.207 1.00 0.00 C ATOM 159 CG GLU A 11 -15.678 1.550 -10.159 1.00 0.00 C ATOM 160 CD GLU A 11 -15.434 2.164 -11.522 1.00 0.00 C ATOM 161 OE1 GLU A 11 -16.062 1.709 -12.501 1.00 0.00 O ATOM 162 OE2 GLU A 11 -14.613 3.102 -11.613 1.00 0.00 O ATOM 0 H GLU A 11 -15.767 0.889 -7.835 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.292 -1.713 -9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.329 -0.315 -11.148 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.803 -0.269 -10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.607 1.945 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.877 1.848 -9.482 1.00 0.00 H new ATOM 169 N ILE A 12 -12.844 -1.661 -9.330 1.00 0.00 N ATOM 170 CA ILE A 12 -11.396 -1.672 -9.502 1.00 0.00 C ATOM 171 C ILE A 12 -11.019 -1.454 -10.965 1.00 0.00 C ATOM 172 O ILE A 12 -11.125 -2.365 -11.787 1.00 0.00 O ATOM 173 CB ILE A 12 -10.785 -2.998 -9.006 1.00 0.00 C ATOM 174 CG1 ILE A 12 -11.100 -3.205 -7.521 1.00 0.00 C ATOM 175 CG2 ILE A 12 -9.279 -3.022 -9.245 1.00 0.00 C ATOM 176 CD1 ILE A 12 -10.299 -2.313 -6.594 1.00 0.00 C ATOM 0 H ILE A 12 -13.273 -2.586 -9.301 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.993 -0.854 -8.904 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.230 -3.816 -9.572 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.162 -3.024 -7.356 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.910 -4.246 -7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.869 -3.967 -8.888 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.078 -2.920 -10.311 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.812 -2.197 -8.707 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.578 -2.518 -5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.235 -2.510 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.507 -1.268 -6.825 1.00 0.00 H new ATOM 188 N THR A 13 -10.577 -0.241 -11.282 1.00 0.00 N ATOM 189 CA THR A 13 -10.181 0.097 -12.644 1.00 0.00 C ATOM 190 C THR A 13 -8.662 0.151 -12.771 1.00 0.00 C ATOM 191 O THR A 13 -7.957 0.364 -11.784 1.00 0.00 O ATOM 192 CB THR A 13 -10.788 1.440 -13.054 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.511 2.432 -12.082 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.288 1.387 -13.243 1.00 0.00 C ATOM 0 H THR A 13 -10.484 0.524 -10.614 1.00 0.00 H new ATOM 0 HA THR A 13 -10.555 -0.681 -13.309 1.00 0.00 H new ATOM 0 HB THR A 13 -10.327 1.685 -14.011 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.906 3.284 -12.363 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.653 2.372 -13.533 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.531 0.666 -14.023 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.762 1.085 -12.309 1.00 0.00 H new ATOM 202 N GLU A 14 -8.170 -0.059 -13.992 1.00 0.00 N ATOM 203 CA GLU A 14 -6.732 -0.052 -14.276 1.00 0.00 C ATOM 204 C GLU A 14 -5.973 0.942 -13.397 1.00 0.00 C ATOM 205 O GLU A 14 -4.997 0.578 -12.742 1.00 0.00 O ATOM 206 CB GLU A 14 -6.491 0.276 -15.750 1.00 0.00 C ATOM 207 CG GLU A 14 -7.166 -0.693 -16.707 1.00 0.00 C ATOM 208 CD GLU A 14 -8.443 -0.131 -17.300 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.355 0.630 -18.285 1.00 0.00 O ATOM 210 OE2 GLU A 14 -9.532 -0.457 -16.781 1.00 0.00 O ATOM 0 H GLU A 14 -8.753 -0.238 -14.810 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.353 -1.049 -14.050 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.852 1.284 -15.953 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.418 0.276 -15.943 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.475 -0.943 -17.512 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.391 -1.620 -16.180 1.00 0.00 H new ATOM 217 N ALA A 15 -6.421 2.193 -13.385 1.00 0.00 N ATOM 218 CA ALA A 15 -5.775 3.226 -12.585 1.00 0.00 C ATOM 219 C ALA A 15 -5.787 2.860 -11.103 1.00 0.00 C ATOM 220 O ALA A 15 -4.764 2.946 -10.425 1.00 0.00 O ATOM 221 CB ALA A 15 -6.455 4.568 -12.806 1.00 0.00 C ATOM 0 H ALA A 15 -7.228 2.515 -13.920 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.736 3.302 -12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.962 5.330 -12.202 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.388 4.841 -13.859 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.503 4.497 -12.515 1.00 0.00 H new ATOM 227 N LEU A 16 -6.951 2.449 -10.611 1.00 0.00 N ATOM 228 CA LEU A 16 -7.100 2.066 -9.210 1.00 0.00 C ATOM 229 C LEU A 16 -6.107 0.967 -8.842 1.00 0.00 C ATOM 230 O LEU A 16 -5.370 1.080 -7.863 1.00 0.00 O ATOM 231 CB LEU A 16 -8.531 1.596 -8.937 1.00 0.00 C ATOM 232 CG LEU A 16 -9.145 2.116 -7.636 1.00 0.00 C ATOM 233 CD1 LEU A 16 -9.174 3.638 -7.626 1.00 0.00 C ATOM 234 CD2 LEU A 16 -10.546 1.551 -7.446 1.00 0.00 C ATOM 0 H LEU A 16 -7.806 2.372 -11.162 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.892 2.940 -8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.164 1.905 -9.769 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.542 0.506 -8.916 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.524 1.782 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.614 3.987 -6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.158 4.022 -7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.771 3.996 -8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.968 1.931 -6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.177 1.854 -8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.497 0.463 -7.404 1.00 0.00 H new ATOM 246 N ARG A 17 -6.098 -0.092 -9.640 1.00 0.00 N ATOM 247 CA ARG A 17 -5.198 -1.215 -9.411 1.00 0.00 C ATOM 248 C ARG A 17 -3.747 -0.798 -9.629 1.00 0.00 C ATOM 249 O ARG A 17 -2.855 -1.190 -8.876 1.00 0.00 O ATOM 250 CB ARG A 17 -5.553 -2.385 -10.332 1.00 0.00 C ATOM 251 CG ARG A 17 -5.457 -2.050 -11.813 1.00 0.00 C ATOM 252 CD ARG A 17 -5.573 -3.297 -12.676 1.00 0.00 C ATOM 253 NE ARG A 17 -4.553 -3.334 -13.722 1.00 0.00 N ATOM 254 CZ ARG A 17 -3.247 -3.430 -13.482 1.00 0.00 C ATOM 255 NH1 ARG A 17 -2.798 -3.502 -12.234 1.00 0.00 N ATOM 256 NH2 ARG A 17 -2.387 -3.455 -14.490 1.00 0.00 N ATOM 0 H ARG A 17 -6.705 -0.197 -10.453 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.315 -1.536 -8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.889 -3.221 -10.114 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.567 -2.717 -10.109 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.246 -1.347 -12.080 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.507 -1.554 -12.014 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.481 -4.183 -12.048 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.562 -3.332 -13.132 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.860 -3.283 -14.693 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.455 -3.484 -11.454 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.796 -3.575 -12.056 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.726 -3.401 -15.451 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.387 -3.529 -14.305 1.00 0.00 H new ATOM 270 N GLU A 18 -3.518 -0.010 -10.674 1.00 0.00 N ATOM 271 CA GLU A 18 -2.177 0.456 -11.006 1.00 0.00 C ATOM 272 C GLU A 18 -1.606 1.359 -9.915 1.00 0.00 C ATOM 273 O GLU A 18 -0.527 1.093 -9.383 1.00 0.00 O ATOM 274 CB GLU A 18 -2.193 1.203 -12.342 1.00 0.00 C ATOM 275 CG GLU A 18 -2.053 0.292 -13.550 1.00 0.00 C ATOM 276 CD GLU A 18 -3.030 0.638 -14.657 1.00 0.00 C ATOM 277 OE1 GLU A 18 -3.536 1.779 -14.667 1.00 0.00 O ATOM 278 OE2 GLU A 18 -3.285 -0.231 -15.515 1.00 0.00 O ATOM 0 H GLU A 18 -4.246 0.320 -11.307 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.535 -0.421 -11.086 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.125 1.762 -12.425 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.382 1.932 -12.351 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.035 0.358 -13.935 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.210 -0.741 -13.241 1.00 0.00 H new ATOM 285 N PHE A 19 -2.319 2.435 -9.596 1.00 0.00 N ATOM 286 CA PHE A 19 -1.864 3.383 -8.581 1.00 0.00 C ATOM 287 C PHE A 19 -1.477 2.672 -7.281 1.00 0.00 C ATOM 288 O PHE A 19 -0.394 2.902 -6.743 1.00 0.00 O ATOM 289 CB PHE A 19 -2.934 4.465 -8.343 1.00 0.00 C ATOM 290 CG PHE A 19 -3.820 4.253 -7.144 1.00 0.00 C ATOM 291 CD1 PHE A 19 -3.337 4.411 -5.855 1.00 0.00 C ATOM 292 CD2 PHE A 19 -5.144 3.909 -7.319 1.00 0.00 C ATOM 293 CE1 PHE A 19 -4.165 4.227 -4.763 1.00 0.00 C ATOM 294 CE2 PHE A 19 -5.979 3.723 -6.234 1.00 0.00 C ATOM 295 CZ PHE A 19 -5.489 3.882 -4.955 1.00 0.00 C ATOM 0 H PHE A 19 -3.213 2.673 -10.024 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.963 3.874 -8.950 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.434 5.428 -8.237 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.564 4.529 -9.230 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.303 4.681 -5.702 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.534 3.783 -8.318 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.778 4.353 -3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.014 3.454 -6.387 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.139 3.737 -4.105 1.00 0.00 H new ATOM 305 N VAL A 20 -2.355 1.805 -6.783 1.00 0.00 N ATOM 306 CA VAL A 20 -2.074 1.072 -5.551 1.00 0.00 C ATOM 307 C VAL A 20 -0.795 0.251 -5.693 1.00 0.00 C ATOM 308 O VAL A 20 0.061 0.254 -4.807 1.00 0.00 O ATOM 309 CB VAL A 20 -3.229 0.128 -5.163 1.00 0.00 C ATOM 310 CG1 VAL A 20 -3.007 -0.440 -3.769 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.567 0.848 -5.245 1.00 0.00 C ATOM 0 H VAL A 20 -3.258 1.594 -7.208 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.955 1.817 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.248 -0.699 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.832 -1.104 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.071 -0.999 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.959 0.375 -3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.367 0.162 -4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.565 1.698 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.729 1.200 -6.264 1.00 0.00 H new ATOM 321 N THR A 21 -0.673 -0.444 -6.819 1.00 0.00 N ATOM 322 CA THR A 21 0.501 -1.265 -7.088 1.00 0.00 C ATOM 323 C THR A 21 1.732 -0.393 -7.309 1.00 0.00 C ATOM 324 O THR A 21 2.856 -0.802 -7.018 1.00 0.00 O ATOM 325 CB THR A 21 0.261 -2.150 -8.312 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.996 -2.797 -8.225 1.00 0.00 O ATOM 327 CG2 THR A 21 1.316 -3.221 -8.492 1.00 0.00 C ATOM 0 H THR A 21 -1.374 -0.455 -7.560 1.00 0.00 H new ATOM 0 HA THR A 21 0.678 -1.900 -6.220 1.00 0.00 H new ATOM 0 HB THR A 21 0.300 -1.476 -9.168 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.638 -2.345 -8.811 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.086 -3.813 -9.378 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.293 -2.753 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.330 -3.869 -7.616 1.00 0.00 H new ATOM 335 N ALA A 22 1.512 0.814 -7.825 1.00 0.00 N ATOM 336 CA ALA A 22 2.603 1.746 -8.081 1.00 0.00 C ATOM 337 C ALA A 22 3.372 2.048 -6.801 1.00 0.00 C ATOM 338 O ALA A 22 4.602 2.029 -6.783 1.00 0.00 O ATOM 339 CB ALA A 22 2.066 3.029 -8.697 1.00 0.00 C ATOM 0 H ALA A 22 0.588 1.168 -8.073 1.00 0.00 H new ATOM 0 HA ALA A 22 3.292 1.282 -8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.891 3.716 -8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.566 2.799 -9.638 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.356 3.492 -8.012 1.00 0.00 H new ATOM 345 N LYS A 23 2.636 2.322 -5.728 1.00 0.00 N ATOM 346 CA LYS A 23 3.247 2.622 -4.439 1.00 0.00 C ATOM 347 C LYS A 23 3.950 1.389 -3.882 1.00 0.00 C ATOM 348 O LYS A 23 5.124 1.445 -3.509 1.00 0.00 O ATOM 349 CB LYS A 23 2.191 3.116 -3.450 1.00 0.00 C ATOM 350 CG LYS A 23 1.466 4.372 -3.910 1.00 0.00 C ATOM 351 CD LYS A 23 1.623 5.507 -2.911 1.00 0.00 C ATOM 352 CE LYS A 23 1.189 6.837 -3.507 1.00 0.00 C ATOM 353 NZ LYS A 23 2.076 7.954 -3.078 1.00 0.00 N ATOM 0 H LYS A 23 1.616 2.342 -5.726 1.00 0.00 H new ATOM 0 HA LYS A 23 3.986 3.410 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.460 2.324 -3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.668 3.313 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.856 4.683 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.407 4.152 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.030 5.295 -2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.663 5.572 -2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.194 6.766 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.163 7.052 -3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.746 8.843 -3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.051 8.038 -2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.050 7.762 -3.387 1.00 0.00 H new ATOM 367 N PHE A 24 3.226 0.274 -3.833 1.00 0.00 N ATOM 368 CA PHE A 24 3.785 -0.976 -3.327 1.00 0.00 C ATOM 369 C PHE A 24 5.087 -1.314 -4.045 1.00 0.00 C ATOM 370 O PHE A 24 6.080 -1.681 -3.416 1.00 0.00 O ATOM 371 CB PHE A 24 2.779 -2.116 -3.497 1.00 0.00 C ATOM 372 CG PHE A 24 2.031 -2.450 -2.237 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.610 -3.252 -1.266 1.00 0.00 C ATOM 374 CD2 PHE A 24 0.752 -1.962 -2.025 1.00 0.00 C ATOM 375 CE1 PHE A 24 1.926 -3.560 -0.106 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.062 -2.269 -0.868 1.00 0.00 C ATOM 377 CZ PHE A 24 0.650 -3.068 0.093 1.00 0.00 C ATOM 0 H PHE A 24 2.254 0.210 -4.136 1.00 0.00 H new ATOM 0 HA PHE A 24 3.998 -0.850 -2.266 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.064 -1.846 -4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.305 -3.005 -3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.606 -3.640 -1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.289 -1.335 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.388 -4.184 0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.936 -1.885 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.113 -3.308 0.999 1.00 0.00 H new ATOM 387 N ALA A 25 5.076 -1.184 -5.370 1.00 0.00 N ATOM 388 CA ALA A 25 6.255 -1.470 -6.177 1.00 0.00 C ATOM 389 C ALA A 25 7.462 -0.687 -5.672 1.00 0.00 C ATOM 390 O ALA A 25 8.524 -1.257 -5.420 1.00 0.00 O ATOM 391 CB ALA A 25 5.987 -1.148 -7.639 1.00 0.00 C ATOM 0 H ALA A 25 4.262 -0.882 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 25 6.479 -2.533 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.877 -1.367 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.155 -1.754 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.736 -0.092 -7.739 1.00 0.00 H new ATOM 397 N LYS A 26 7.289 0.623 -5.519 1.00 0.00 N ATOM 398 CA LYS A 26 8.362 1.486 -5.035 1.00 0.00 C ATOM 399 C LYS A 26 8.895 0.982 -3.698 1.00 0.00 C ATOM 400 O LYS A 26 10.069 1.164 -3.378 1.00 0.00 O ATOM 401 CB LYS A 26 7.865 2.925 -4.893 1.00 0.00 C ATOM 402 CG LYS A 26 8.952 3.967 -5.097 1.00 0.00 C ATOM 403 CD LYS A 26 9.749 4.198 -3.824 1.00 0.00 C ATOM 404 CE LYS A 26 9.297 5.458 -3.105 1.00 0.00 C ATOM 405 NZ LYS A 26 9.701 6.690 -3.834 1.00 0.00 N ATOM 0 H LYS A 26 6.416 1.110 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 26 9.173 1.464 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.067 3.098 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.431 3.054 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.622 3.644 -5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.502 4.905 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.636 3.340 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.809 4.276 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.213 5.442 -2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.722 5.475 -2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.671 7.503 -3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.667 6.575 -4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.047 6.855 -4.626 1.00 0.00 H new ATOM 419 N LEU A 27 8.024 0.338 -2.926 1.00 0.00 N ATOM 420 CA LEU A 27 8.409 -0.204 -1.629 1.00 0.00 C ATOM 421 C LEU A 27 9.120 -1.544 -1.797 1.00 0.00 C ATOM 422 O LEU A 27 9.930 -1.941 -0.961 1.00 0.00 O ATOM 423 CB LEU A 27 7.177 -0.377 -0.736 1.00 0.00 C ATOM 424 CG LEU A 27 6.721 0.888 -0.008 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.080 1.865 -0.982 1.00 0.00 C ATOM 426 CD2 LEU A 27 5.752 0.536 1.111 1.00 0.00 C ATOM 0 H LEU A 27 7.048 0.179 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 27 9.094 0.499 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.352 -0.743 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.390 -1.147 0.005 1.00 0.00 H new ATOM 0 HG LEU A 27 7.596 1.367 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.762 2.759 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.803 2.141 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.215 1.396 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.437 1.447 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.880 0.034 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.244 -0.125 1.824 1.00 0.00 H new ATOM 438 N GLU A 28 8.808 -2.233 -2.892 1.00 0.00 N ATOM 439 CA GLU A 28 9.405 -3.529 -3.192 1.00 0.00 C ATOM 440 C GLU A 28 10.912 -3.416 -3.426 1.00 0.00 C ATOM 441 O GLU A 28 11.619 -4.423 -3.443 1.00 0.00 O ATOM 442 CB GLU A 28 8.731 -4.150 -4.418 1.00 0.00 C ATOM 443 CG GLU A 28 8.281 -5.586 -4.201 1.00 0.00 C ATOM 444 CD GLU A 28 8.715 -6.509 -5.323 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.913 -6.495 -5.673 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.857 -7.248 -5.850 1.00 0.00 O ATOM 0 H GLU A 28 8.139 -1.910 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 28 9.248 -4.173 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.867 -3.545 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.424 -4.118 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.687 -5.951 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.195 -5.613 -4.113 1.00 0.00 H new ATOM 453 N GLN A 29 11.401 -2.190 -3.608 1.00 0.00 N ATOM 454 CA GLN A 29 12.823 -1.967 -3.837 1.00 0.00 C ATOM 455 C GLN A 29 13.637 -2.293 -2.588 1.00 0.00 C ATOM 456 O GLN A 29 14.525 -3.144 -2.619 1.00 0.00 O ATOM 457 CB GLN A 29 13.071 -0.517 -4.255 1.00 0.00 C ATOM 458 CG GLN A 29 14.491 -0.254 -4.730 1.00 0.00 C ATOM 459 CD GLN A 29 14.591 0.966 -5.625 1.00 0.00 C ATOM 460 OE1 GLN A 29 14.698 2.094 -5.145 1.00 0.00 O ATOM 461 NE2 GLN A 29 14.554 0.744 -6.934 1.00 0.00 N ATOM 0 H GLN A 29 10.835 -1.342 -3.601 1.00 0.00 H new ATOM 0 HA GLN A 29 13.143 -2.632 -4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.376 -0.254 -5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.852 0.138 -3.412 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.140 -0.119 -3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.857 -1.127 -5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.464 -0.209 -7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.615 1.526 -7.586 1.00 0.00 H new ATOM 470 N TYR A 30 13.327 -1.611 -1.491 1.00 0.00 N ATOM 471 CA TYR A 30 14.035 -1.830 -0.232 1.00 0.00 C ATOM 472 C TYR A 30 13.366 -2.924 0.604 1.00 0.00 C ATOM 473 O TYR A 30 13.808 -3.219 1.715 1.00 0.00 O ATOM 474 CB TYR A 30 14.127 -0.532 0.576 1.00 0.00 C ATOM 475 CG TYR A 30 12.871 0.312 0.542 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.635 -0.235 0.858 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.926 1.656 0.197 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.487 0.535 0.832 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.783 2.432 0.168 1.00 0.00 C ATOM 480 CZ TYR A 30 10.567 1.867 0.486 1.00 0.00 C ATOM 481 OH TYR A 30 9.426 2.638 0.460 1.00 0.00 O ATOM 0 H TYR A 30 12.593 -0.904 -1.446 1.00 0.00 H new ATOM 0 HA TYR A 30 15.044 -2.161 -0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.357 -0.778 1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.959 0.060 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.569 -1.279 1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.877 2.102 -0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.533 0.095 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.842 3.476 -0.102 1.00 0.00 H new ATOM 0 HH TYR A 30 9.656 3.554 0.198 1.00 0.00 H new ATOM 491 N PHE A 31 12.309 -3.530 0.066 1.00 0.00 N ATOM 492 CA PHE A 31 11.601 -4.596 0.769 1.00 0.00 C ATOM 493 C PHE A 31 11.701 -5.909 0.000 1.00 0.00 C ATOM 494 O PHE A 31 11.251 -6.007 -1.140 1.00 0.00 O ATOM 495 CB PHE A 31 10.127 -4.226 0.971 1.00 0.00 C ATOM 496 CG PHE A 31 9.894 -3.105 1.952 1.00 0.00 C ATOM 497 CD1 PHE A 31 10.840 -2.784 2.915 1.00 0.00 C ATOM 498 CD2 PHE A 31 8.717 -2.374 1.910 1.00 0.00 C ATOM 499 CE1 PHE A 31 10.618 -1.756 3.812 1.00 0.00 C ATOM 500 CE2 PHE A 31 8.490 -1.346 2.804 1.00 0.00 C ATOM 501 CZ PHE A 31 9.441 -1.036 3.755 1.00 0.00 C ATOM 0 H PHE A 31 11.926 -3.301 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 31 12.070 -4.722 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.701 -3.944 0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.587 -5.109 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.762 -3.345 2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.968 -2.611 1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.363 -1.516 4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.568 -0.785 2.759 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.265 -0.231 4.454 1.00 0.00 H new ATOM 511 N ASP A 32 12.295 -6.914 0.634 1.00 0.00 N ATOM 512 CA ASP A 32 12.457 -8.222 0.011 1.00 0.00 C ATOM 513 C ASP A 32 11.522 -9.251 0.641 1.00 0.00 C ATOM 514 O ASP A 32 11.187 -10.260 0.020 1.00 0.00 O ATOM 515 CB ASP A 32 13.908 -8.693 0.134 1.00 0.00 C ATOM 516 CG ASP A 32 14.884 -7.740 -0.529 1.00 0.00 C ATOM 517 OD1 ASP A 32 15.356 -6.806 0.153 1.00 0.00 O ATOM 518 OD2 ASP A 32 15.175 -7.930 -1.728 1.00 0.00 O ATOM 0 H ASP A 32 12.672 -6.848 1.579 1.00 0.00 H new ATOM 0 HA ASP A 32 12.200 -8.125 -1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.165 -8.797 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.006 -9.681 -0.317 1.00 0.00 H new ATOM 523 N ARG A 33 11.103 -8.990 1.875 1.00 0.00 N ATOM 524 CA ARG A 33 10.209 -9.898 2.585 1.00 0.00 C ATOM 525 C ARG A 33 8.753 -9.638 2.211 1.00 0.00 C ATOM 526 O ARG A 33 8.001 -9.041 2.981 1.00 0.00 O ATOM 527 CB ARG A 33 10.391 -9.751 4.097 1.00 0.00 C ATOM 528 CG ARG A 33 11.846 -9.690 4.537 1.00 0.00 C ATOM 529 CD ARG A 33 12.010 -8.863 5.801 1.00 0.00 C ATOM 530 NE ARG A 33 13.410 -8.755 6.206 1.00 0.00 N ATOM 531 CZ ARG A 33 14.101 -9.750 6.758 1.00 0.00 C ATOM 532 NH1 ARG A 33 13.525 -10.928 6.971 1.00 0.00 N ATOM 533 NH2 ARG A 33 15.370 -9.569 7.097 1.00 0.00 N ATOM 0 H ARG A 33 11.368 -8.159 2.403 1.00 0.00 H new ATOM 0 HA ARG A 33 10.464 -10.916 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.883 -8.846 4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.905 -10.590 4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.218 -10.700 4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.451 -9.261 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.602 -7.866 5.637 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.433 -9.315 6.608 1.00 0.00 H new ATOM 0 HE ARG A 33 13.886 -7.865 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.549 -11.073 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.058 -11.687 7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.817 -8.667 6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.899 -10.332 7.520 1.00 0.00 H new ATOM 547 N ILE A 34 8.362 -10.094 1.027 1.00 0.00 N ATOM 548 CA ILE A 34 6.994 -9.914 0.551 1.00 0.00 C ATOM 549 C ILE A 34 6.532 -11.126 -0.250 1.00 0.00 C ATOM 550 O ILE A 34 7.098 -11.441 -1.298 1.00 0.00 O ATOM 551 CB ILE A 34 6.861 -8.652 -0.321 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.502 -7.450 0.376 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.399 -8.373 -0.632 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.487 -6.189 -0.458 1.00 0.00 C ATOM 0 H ILE A 34 8.972 -10.591 0.378 1.00 0.00 H new ATOM 0 HA ILE A 34 6.363 -9.800 1.433 1.00 0.00 H new ATOM 0 HB ILE A 34 7.386 -8.824 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.978 -7.262 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.533 -7.695 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.323 -7.478 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.973 -9.221 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.852 -8.220 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.957 -5.379 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.036 -6.359 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.457 -5.919 -0.691 1.00 0.00 H new ATOM 566 N ASN A 35 5.503 -11.806 0.247 1.00 0.00 N ATOM 567 CA ASN A 35 4.972 -12.987 -0.427 1.00 0.00 C ATOM 568 C ASN A 35 3.497 -12.809 -0.779 1.00 0.00 C ATOM 569 O ASN A 35 3.117 -12.896 -1.944 1.00 0.00 O ATOM 570 CB ASN A 35 5.154 -14.231 0.447 1.00 0.00 C ATOM 571 CG ASN A 35 4.860 -13.967 1.912 1.00 0.00 C ATOM 572 OD1 ASN A 35 5.435 -13.063 2.519 1.00 0.00 O ATOM 573 ND2 ASN A 35 3.959 -14.756 2.486 1.00 0.00 N ATOM 0 H ASN A 35 5.021 -11.561 1.112 1.00 0.00 H new ATOM 0 HA ASN A 35 5.531 -13.118 -1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.497 -15.023 0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.177 -14.594 0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.719 -14.625 3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.507 -15.493 1.944 1.00 0.00 H new ATOM 580 N GLN A 36 2.670 -12.565 0.232 1.00 0.00 N ATOM 581 CA GLN A 36 1.238 -12.379 0.018 1.00 0.00 C ATOM 582 C GLN A 36 0.753 -11.077 0.643 1.00 0.00 C ATOM 583 O GLN A 36 0.816 -10.900 1.860 1.00 0.00 O ATOM 584 CB GLN A 36 0.459 -13.559 0.604 1.00 0.00 C ATOM 585 CG GLN A 36 -1.017 -13.551 0.242 1.00 0.00 C ATOM 586 CD GLN A 36 -1.332 -14.445 -0.942 1.00 0.00 C ATOM 587 OE1 GLN A 36 -1.399 -15.667 -0.811 1.00 0.00 O ATOM 588 NE2 GLN A 36 -1.527 -13.838 -2.106 1.00 0.00 N ATOM 0 H GLN A 36 2.965 -12.491 1.206 1.00 0.00 H new ATOM 0 HA GLN A 36 1.062 -12.329 -1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.906 -14.489 0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.559 -13.547 1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.600 -13.876 1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.326 -12.531 0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.462 -12.822 -2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.742 -14.387 -2.938 1.00 0.00 H new ATOM 597 N VAL A 37 0.267 -10.165 -0.195 1.00 0.00 N ATOM 598 CA VAL A 37 -0.230 -8.878 0.279 1.00 0.00 C ATOM 599 C VAL A 37 -1.677 -8.658 -0.153 1.00 0.00 C ATOM 600 O VAL A 37 -2.030 -8.890 -1.308 1.00 0.00 O ATOM 601 CB VAL A 37 0.625 -7.706 -0.247 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.459 -6.484 0.644 1.00 0.00 C ATOM 603 CG2 VAL A 37 2.092 -8.103 -0.347 1.00 0.00 C ATOM 0 H VAL A 37 0.207 -10.294 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.169 -8.903 1.367 1.00 0.00 H new ATOM 0 HB VAL A 37 0.276 -7.454 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.069 -5.667 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.588 -6.181 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.777 -6.727 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.673 -7.259 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.460 -8.389 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.195 -8.945 -1.031 1.00 0.00 H new ATOM 613 N TYR A 38 -2.506 -8.201 0.780 1.00 0.00 N ATOM 614 CA TYR A 38 -3.913 -7.942 0.487 1.00 0.00 C ATOM 615 C TYR A 38 -4.327 -6.563 0.991 1.00 0.00 C ATOM 616 O TYR A 38 -3.922 -6.138 2.073 1.00 0.00 O ATOM 617 CB TYR A 38 -4.808 -9.020 1.105 1.00 0.00 C ATOM 618 CG TYR A 38 -4.317 -9.550 2.436 1.00 0.00 C ATOM 619 CD1 TYR A 38 -3.166 -10.324 2.516 1.00 0.00 C ATOM 620 CD2 TYR A 38 -5.011 -9.282 3.610 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.719 -10.813 3.729 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.569 -9.767 4.825 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.423 -10.532 4.880 1.00 0.00 C ATOM 624 OH TYR A 38 -2.980 -11.017 6.089 1.00 0.00 O ATOM 0 H TYR A 38 -2.230 -8.003 1.742 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.038 -7.968 -0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.810 -8.612 1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.892 -9.851 0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.612 -10.547 1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.910 -8.685 3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.822 -11.413 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.119 -9.548 5.729 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.197 -11.589 5.945 1.00 0.00 H new ATOM 634 N VAL A 39 -5.131 -5.868 0.193 1.00 0.00 N ATOM 635 CA VAL A 39 -5.599 -4.533 0.548 1.00 0.00 C ATOM 636 C VAL A 39 -7.089 -4.379 0.263 1.00 0.00 C ATOM 637 O VAL A 39 -7.603 -4.927 -0.712 1.00 0.00 O ATOM 638 CB VAL A 39 -4.822 -3.447 -0.223 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.235 -2.056 0.238 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.323 -3.650 -0.061 1.00 0.00 C ATOM 0 H VAL A 39 -5.473 -6.208 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.424 -4.407 1.616 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.067 -3.535 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.674 -1.306 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.302 -1.916 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.026 -1.948 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.789 -2.875 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.060 -3.591 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.044 -4.629 -0.451 1.00 0.00 H new ATOM 650 N VAL A 40 -7.778 -3.625 1.114 1.00 0.00 N ATOM 651 CA VAL A 40 -9.210 -3.398 0.944 1.00 0.00 C ATOM 652 C VAL A 40 -9.587 -1.975 1.324 1.00 0.00 C ATOM 653 O VAL A 40 -9.121 -1.438 2.328 1.00 0.00 O ATOM 654 CB VAL A 40 -10.046 -4.384 1.779 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.517 -4.284 1.409 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.538 -5.807 1.595 1.00 0.00 C ATOM 0 H VAL A 40 -7.370 -3.162 1.926 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.430 -3.560 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.941 -4.119 2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.092 -4.989 2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.872 -3.271 1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.643 -4.521 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.142 -6.489 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.610 -6.086 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.498 -5.866 1.916 1.00 0.00 H new ATOM 666 N LEU A 41 -10.422 -1.367 0.492 1.00 0.00 N ATOM 667 CA LEU A 41 -10.859 0.002 0.711 1.00 0.00 C ATOM 668 C LEU A 41 -12.375 0.142 0.584 1.00 0.00 C ATOM 669 O LEU A 41 -12.971 -0.292 -0.401 1.00 0.00 O ATOM 670 CB LEU A 41 -10.149 0.936 -0.276 1.00 0.00 C ATOM 671 CG LEU A 41 -9.840 0.335 -1.656 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.835 -0.800 -1.542 1.00 0.00 C ATOM 673 CD2 LEU A 41 -11.117 -0.138 -2.337 1.00 0.00 C ATOM 0 H LEU A 41 -10.811 -1.804 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.593 0.282 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.766 1.823 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.213 1.267 0.174 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.396 1.116 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.633 -1.208 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.908 -0.423 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.242 -1.583 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.874 -0.560 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.597 -0.899 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.795 0.706 -2.465 1.00 0.00 H new ATOM 685 N LYS A 42 -12.989 0.759 1.587 1.00 0.00 N ATOM 686 CA LYS A 42 -14.432 0.971 1.591 1.00 0.00 C ATOM 687 C LYS A 42 -14.756 2.436 1.326 1.00 0.00 C ATOM 688 O LYS A 42 -14.042 3.332 1.778 1.00 0.00 O ATOM 689 CB LYS A 42 -15.034 0.522 2.927 1.00 0.00 C ATOM 690 CG LYS A 42 -16.502 0.886 3.092 1.00 0.00 C ATOM 691 CD LYS A 42 -16.999 0.573 4.495 1.00 0.00 C ATOM 692 CE LYS A 42 -16.357 1.484 5.529 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.854 1.199 6.905 1.00 0.00 N ATOM 0 H LYS A 42 -12.509 1.122 2.410 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.872 0.371 0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.925 -0.559 3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.464 0.971 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.641 1.947 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.098 0.338 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.083 0.686 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.778 -0.467 4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.275 1.359 5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.565 2.524 5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.121 1.452 7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.711 1.759 7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.077 0.187 6.991 1.00 0.00 H new ATOM 707 N VAL A 43 -15.833 2.672 0.585 1.00 0.00 N ATOM 708 CA VAL A 43 -16.249 4.029 0.253 1.00 0.00 C ATOM 709 C VAL A 43 -17.670 4.304 0.728 1.00 0.00 C ATOM 710 O VAL A 43 -18.634 3.754 0.194 1.00 0.00 O ATOM 711 CB VAL A 43 -16.168 4.281 -1.265 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.523 5.726 -1.593 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.781 3.936 -1.787 1.00 0.00 C ATOM 0 H VAL A 43 -16.433 1.941 0.203 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.564 4.705 0.766 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.893 3.635 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.459 5.881 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.538 5.937 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.826 6.395 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.740 4.119 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.039 4.556 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.569 2.885 -1.590 1.00 0.00 H new ATOM 723 N GLU A 44 -17.793 5.164 1.733 1.00 0.00 N ATOM 724 CA GLU A 44 -19.093 5.525 2.279 1.00 0.00 C ATOM 725 C GLU A 44 -19.247 7.039 2.338 1.00 0.00 C ATOM 726 O GLU A 44 -18.260 7.770 2.437 1.00 0.00 O ATOM 727 CB GLU A 44 -19.282 4.918 3.673 1.00 0.00 C ATOM 728 CG GLU A 44 -18.037 4.978 4.540 1.00 0.00 C ATOM 729 CD GLU A 44 -18.225 4.295 5.880 1.00 0.00 C ATOM 730 OE1 GLU A 44 -18.724 3.149 5.896 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.873 4.904 6.911 1.00 0.00 O ATOM 0 H GLU A 44 -17.004 5.625 2.186 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.862 5.123 1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.093 5.441 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.591 3.878 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.208 4.509 4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.762 6.020 4.703 1.00 0.00 H new ATOM 738 N LYS A 45 -20.488 7.504 2.262 1.00 0.00 N ATOM 739 CA LYS A 45 -20.780 8.935 2.294 1.00 0.00 C ATOM 740 C LYS A 45 -20.123 9.630 3.487 1.00 0.00 C ATOM 741 O LYS A 45 -19.946 10.848 3.477 1.00 0.00 O ATOM 742 CB LYS A 45 -22.293 9.161 2.334 1.00 0.00 C ATOM 743 CG LYS A 45 -22.702 10.589 2.008 1.00 0.00 C ATOM 744 CD LYS A 45 -23.719 11.124 3.007 1.00 0.00 C ATOM 745 CE LYS A 45 -24.937 11.704 2.306 1.00 0.00 C ATOM 746 NZ LYS A 45 -25.972 10.666 2.039 1.00 0.00 N ATOM 0 H LYS A 45 -21.313 6.910 2.177 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.364 9.372 1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.772 8.484 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.665 8.902 3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.820 11.229 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.124 10.627 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.031 10.322 3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.254 11.892 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.367 12.495 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.631 12.161 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.786 11.102 1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.570 9.923 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -26.283 10.247 2.938 1.00 0.00 H new ATOM 760 N VAL A 46 -19.771 8.863 4.516 1.00 0.00 N ATOM 761 CA VAL A 46 -19.148 9.433 5.705 1.00 0.00 C ATOM 762 C VAL A 46 -17.626 9.526 5.563 1.00 0.00 C ATOM 763 O VAL A 46 -17.096 10.574 5.193 1.00 0.00 O ATOM 764 CB VAL A 46 -19.504 8.622 6.968 1.00 0.00 C ATOM 765 CG1 VAL A 46 -18.921 9.277 8.212 1.00 0.00 C ATOM 766 CG2 VAL A 46 -21.013 8.475 7.096 1.00 0.00 C ATOM 0 H VAL A 46 -19.906 7.853 4.550 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.544 10.443 5.810 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.067 7.628 6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.184 8.688 9.091 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.836 9.328 8.122 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.324 10.284 8.316 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.248 7.900 7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.470 9.462 7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.404 7.957 6.220 1.00 0.00 H new ATOM 776 N THR A 47 -16.926 8.433 5.863 1.00 0.00 N ATOM 777 CA THR A 47 -15.468 8.414 5.769 1.00 0.00 C ATOM 778 C THR A 47 -14.972 7.209 4.973 1.00 0.00 C ATOM 779 O THR A 47 -15.625 6.168 4.932 1.00 0.00 O ATOM 780 CB THR A 47 -14.848 8.400 7.167 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.708 9.027 8.102 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.508 9.100 7.235 1.00 0.00 C ATOM 0 H THR A 47 -17.342 7.554 6.171 1.00 0.00 H new ATOM 0 HA THR A 47 -15.160 9.318 5.243 1.00 0.00 H new ATOM 0 HB THR A 47 -14.702 7.347 7.408 1.00 0.00 H new ATOM 0 HG1 THR A 47 -16.055 8.357 8.728 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.124 9.053 8.254 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.806 8.609 6.560 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.627 10.142 6.939 1.00 0.00 H new ATOM 790 N HIS A 48 -13.804 7.354 4.356 1.00 0.00 N ATOM 791 CA HIS A 48 -13.212 6.273 3.577 1.00 0.00 C ATOM 792 C HIS A 48 -12.256 5.458 4.444 1.00 0.00 C ATOM 793 O HIS A 48 -11.486 6.019 5.224 1.00 0.00 O ATOM 794 CB HIS A 48 -12.470 6.830 2.362 1.00 0.00 C ATOM 795 CG HIS A 48 -13.340 7.630 1.443 1.00 0.00 C ATOM 796 ND1 HIS A 48 -14.326 8.522 1.708 1.00 0.00 N flip ATOM 797 CD2 HIS A 48 -13.251 7.560 0.069 1.00 0.00 C flip ATOM 798 CE1 HIS A 48 -14.806 8.967 0.502 1.00 0.00 C flip ATOM 799 NE2 HIS A 48 -14.141 8.373 -0.470 1.00 0.00 N flip ATOM 0 H HIS A 48 -13.249 8.209 4.380 1.00 0.00 H new ATOM 0 HA HIS A 48 -14.014 5.623 3.227 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.646 7.456 2.705 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.031 6.003 1.804 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.561 6.937 -0.481 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.600 9.687 0.370 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -14.289 8.517 -1.469 1.00 0.00 H new ATOM 808 N THR A 49 -12.317 4.137 4.316 1.00 0.00 N ATOM 809 CA THR A 49 -11.457 3.260 5.105 1.00 0.00 C ATOM 810 C THR A 49 -10.657 2.310 4.219 1.00 0.00 C ATOM 811 O THR A 49 -11.199 1.686 3.309 1.00 0.00 O ATOM 812 CB THR A 49 -12.296 2.456 6.100 1.00 0.00 C ATOM 813 OG1 THR A 49 -13.247 3.288 6.741 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.471 1.788 7.177 1.00 0.00 C ATOM 0 H THR A 49 -12.948 3.652 3.678 1.00 0.00 H new ATOM 0 HA THR A 49 -10.751 3.890 5.647 1.00 0.00 H new ATOM 0 HB THR A 49 -12.784 1.682 5.507 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.775 2.756 7.372 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.128 1.235 7.848 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.760 1.101 6.717 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.929 2.546 7.743 1.00 0.00 H new ATOM 822 N SER A 50 -9.363 2.202 4.504 1.00 0.00 N ATOM 823 CA SER A 50 -8.477 1.322 3.748 1.00 0.00 C ATOM 824 C SER A 50 -7.603 0.511 4.699 1.00 0.00 C ATOM 825 O SER A 50 -7.142 1.024 5.719 1.00 0.00 O ATOM 826 CB SER A 50 -7.599 2.138 2.797 1.00 0.00 C ATOM 827 OG SER A 50 -6.712 2.977 3.515 1.00 0.00 O ATOM 0 H SER A 50 -8.903 2.715 5.256 1.00 0.00 H new ATOM 0 HA SER A 50 -9.088 0.638 3.159 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.029 1.465 2.156 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.229 2.743 2.145 1.00 0.00 H new ATOM 0 HG SER A 50 -7.067 3.135 4.415 1.00 0.00 H new ATOM 833 N ASP A 51 -7.383 -0.759 4.370 1.00 0.00 N ATOM 834 CA ASP A 51 -6.570 -1.629 5.213 1.00 0.00 C ATOM 835 C ASP A 51 -5.457 -2.297 4.411 1.00 0.00 C ATOM 836 O ASP A 51 -5.656 -2.692 3.263 1.00 0.00 O ATOM 837 CB ASP A 51 -7.449 -2.693 5.877 1.00 0.00 C ATOM 838 CG ASP A 51 -8.034 -3.672 4.877 1.00 0.00 C ATOM 839 OD1 ASP A 51 -8.022 -3.362 3.667 1.00 0.00 O ATOM 840 OD2 ASP A 51 -8.504 -4.748 5.303 1.00 0.00 O ATOM 0 H ASP A 51 -7.754 -1.206 3.531 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.108 -1.012 5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.859 -3.240 6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.259 -2.204 6.418 1.00 0.00 H new ATOM 845 N ALA A 52 -4.288 -2.421 5.032 1.00 0.00 N ATOM 846 CA ALA A 52 -3.139 -3.045 4.388 1.00 0.00 C ATOM 847 C ALA A 52 -2.541 -4.131 5.275 1.00 0.00 C ATOM 848 O ALA A 52 -2.410 -3.956 6.487 1.00 0.00 O ATOM 849 CB ALA A 52 -2.091 -1.996 4.048 1.00 0.00 C ATOM 0 H ALA A 52 -4.112 -2.096 5.983 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.477 -3.513 3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.238 -2.476 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.521 -1.258 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.762 -1.501 4.962 1.00 0.00 H new ATOM 855 N THR A 53 -2.180 -5.254 4.665 1.00 0.00 N ATOM 856 CA THR A 53 -1.598 -6.371 5.400 1.00 0.00 C ATOM 857 C THR A 53 -0.468 -7.022 4.609 1.00 0.00 C ATOM 858 O THR A 53 -0.711 -7.708 3.616 1.00 0.00 O ATOM 859 CB THR A 53 -2.670 -7.409 5.722 1.00 0.00 C ATOM 860 OG1 THR A 53 -3.899 -6.780 6.039 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.304 -8.312 6.882 1.00 0.00 C ATOM 0 H THR A 53 -2.280 -5.415 3.663 1.00 0.00 H new ATOM 0 HA THR A 53 -1.185 -5.980 6.330 1.00 0.00 H new ATOM 0 HB THR A 53 -2.758 -8.019 4.823 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.641 -7.376 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.110 -9.025 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.386 -8.852 6.648 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.152 -7.710 7.778 1.00 0.00 H new ATOM 869 N LEU A 54 0.765 -6.803 5.052 1.00 0.00 N ATOM 870 CA LEU A 54 1.928 -7.371 4.382 1.00 0.00 C ATOM 871 C LEU A 54 2.442 -8.596 5.130 1.00 0.00 C ATOM 872 O LEU A 54 2.382 -8.657 6.358 1.00 0.00 O ATOM 873 CB LEU A 54 3.039 -6.325 4.265 1.00 0.00 C ATOM 874 CG LEU A 54 2.836 -5.284 3.160 1.00 0.00 C ATOM 875 CD1 LEU A 54 2.527 -3.921 3.759 1.00 0.00 C ATOM 876 CD2 LEU A 54 4.065 -5.206 2.266 1.00 0.00 C ATOM 0 H LEU A 54 0.984 -6.237 5.871 1.00 0.00 H new ATOM 0 HA LEU A 54 1.625 -7.680 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.131 -5.806 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.984 -6.839 4.090 1.00 0.00 H new ATOM 0 HG LEU A 54 1.986 -5.593 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.386 -3.195 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.617 -3.984 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.356 -3.606 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.902 -4.461 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.932 -4.923 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.243 -6.178 1.807 1.00 0.00 H new ATOM 888 N HIS A 55 2.948 -9.573 4.381 1.00 0.00 N ATOM 889 CA HIS A 55 3.472 -10.798 4.975 1.00 0.00 C ATOM 890 C HIS A 55 4.995 -10.768 5.040 1.00 0.00 C ATOM 891 O HIS A 55 5.662 -10.398 4.074 1.00 0.00 O ATOM 892 CB HIS A 55 3.009 -12.016 4.173 1.00 0.00 C ATOM 893 CG HIS A 55 1.658 -12.518 4.576 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.425 -13.818 4.975 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.462 -11.888 4.640 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.145 -13.964 5.268 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.460 -12.807 5.074 1.00 0.00 N ATOM 0 H HIS A 55 3.006 -9.539 3.363 1.00 0.00 H new ATOM 0 HA HIS A 55 3.086 -10.871 5.992 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.991 -11.758 3.114 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.737 -12.818 4.293 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.131 -14.552 5.034 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.269 -10.854 4.395 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.326 -14.874 5.608 1.00 0.00 H new ATOM 906 N VAL A 56 5.539 -11.162 6.188 1.00 0.00 N ATOM 907 CA VAL A 56 6.982 -11.185 6.384 1.00 0.00 C ATOM 908 C VAL A 56 7.434 -12.524 6.957 1.00 0.00 C ATOM 909 O VAL A 56 6.668 -13.209 7.636 1.00 0.00 O ATOM 910 CB VAL A 56 7.442 -10.053 7.323 1.00 0.00 C ATOM 911 CG1 VAL A 56 8.959 -9.996 7.395 1.00 0.00 C ATOM 912 CG2 VAL A 56 6.871 -8.719 6.867 1.00 0.00 C ATOM 0 H VAL A 56 5.000 -11.470 6.997 1.00 0.00 H new ATOM 0 HA VAL A 56 7.438 -11.038 5.405 1.00 0.00 H new ATOM 0 HB VAL A 56 7.065 -10.262 8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.261 -9.190 8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.341 -10.944 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.364 -9.813 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.206 -7.930 7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.215 -8.502 5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.782 -8.767 6.877 1.00 0.00 H new ATOM 922 N ASN A 57 8.678 -12.893 6.681 1.00 0.00 N ATOM 923 CA ASN A 57 9.228 -14.152 7.169 1.00 0.00 C ATOM 924 C ASN A 57 9.312 -14.157 8.692 1.00 0.00 C ATOM 925 O ASN A 57 10.213 -13.555 9.275 1.00 0.00 O ATOM 926 CB ASN A 57 10.614 -14.396 6.569 1.00 0.00 C ATOM 927 CG ASN A 57 10.546 -14.897 5.141 1.00 0.00 C ATOM 928 OD1 ASN A 57 10.573 -16.102 4.891 1.00 0.00 O ATOM 929 ND2 ASN A 57 10.459 -13.971 4.193 1.00 0.00 N ATOM 0 H ASN A 57 9.326 -12.338 6.122 1.00 0.00 H new ATOM 0 HA ASN A 57 8.559 -14.955 6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.188 -13.470 6.599 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.149 -15.122 7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.412 -14.248 3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.440 -12.983 4.445 1.00 0.00 H new ATOM 936 N GLY A 58 8.370 -14.846 9.331 1.00 0.00 N ATOM 937 CA GLY A 58 8.361 -14.918 10.780 1.00 0.00 C ATOM 938 C GLY A 58 7.369 -13.959 11.415 1.00 0.00 C ATOM 939 O GLY A 58 7.020 -14.107 12.585 1.00 0.00 O ATOM 0 H GLY A 58 7.615 -15.354 8.871 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.121 -15.936 11.086 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.361 -14.700 11.155 1.00 0.00 H new ATOM 943 N GLY A 59 6.914 -12.974 10.645 1.00 0.00 N ATOM 944 CA GLY A 59 5.965 -12.010 11.168 1.00 0.00 C ATOM 945 C GLY A 59 5.062 -11.435 10.094 1.00 0.00 C ATOM 946 O GLY A 59 5.354 -11.542 8.904 1.00 0.00 O ATOM 0 H GLY A 59 7.185 -12.828 9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.353 -12.487 11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.508 -11.199 11.653 1.00 0.00 H new ATOM 950 N GLU A 60 3.962 -10.821 10.517 1.00 0.00 N ATOM 951 CA GLU A 60 3.012 -10.223 9.586 1.00 0.00 C ATOM 952 C GLU A 60 2.484 -8.898 10.128 1.00 0.00 C ATOM 953 O GLU A 60 2.090 -8.806 11.290 1.00 0.00 O ATOM 954 CB GLU A 60 1.847 -11.181 9.325 1.00 0.00 C ATOM 955 CG GLU A 60 2.132 -12.203 8.235 1.00 0.00 C ATOM 956 CD GLU A 60 2.105 -13.629 8.750 1.00 0.00 C ATOM 957 OE1 GLU A 60 3.133 -14.083 9.297 1.00 0.00 O ATOM 958 OE2 GLU A 60 1.056 -14.293 8.607 1.00 0.00 O ATOM 0 H GLU A 60 3.706 -10.724 11.500 1.00 0.00 H new ATOM 0 HA GLU A 60 3.532 -10.032 8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.605 -11.706 10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.966 -10.602 9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.395 -12.094 7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.108 -11.998 7.796 1.00 0.00 H new ATOM 965 N ILE A 61 2.484 -7.872 9.281 1.00 0.00 N ATOM 966 CA ILE A 61 2.008 -6.554 9.682 1.00 0.00 C ATOM 967 C ILE A 61 0.600 -6.298 9.158 1.00 0.00 C ATOM 968 O ILE A 61 0.296 -6.584 7.998 1.00 0.00 O ATOM 969 CB ILE A 61 2.941 -5.437 9.174 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.407 -5.824 9.389 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.624 -4.124 9.870 1.00 0.00 C ATOM 972 CD1 ILE A 61 5.078 -6.367 8.147 1.00 0.00 C ATOM 0 H ILE A 61 2.808 -7.929 8.315 1.00 0.00 H new ATOM 0 HA ILE A 61 1.999 -6.541 10.772 1.00 0.00 H new ATOM 0 HB ILE A 61 2.776 -5.307 8.105 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.958 -4.950 9.737 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.464 -6.572 10.180 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.292 -3.346 9.500 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.591 -3.844 9.665 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.762 -4.240 10.945 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.114 -6.620 8.374 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.552 -7.260 7.810 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.053 -5.613 7.361 1.00 0.00 H new ATOM 984 N HIS A 62 -0.253 -5.744 10.015 1.00 0.00 N ATOM 985 CA HIS A 62 -1.627 -5.431 9.639 1.00 0.00 C ATOM 986 C HIS A 62 -2.007 -4.033 10.118 1.00 0.00 C ATOM 987 O HIS A 62 -2.114 -3.790 11.321 1.00 0.00 O ATOM 988 CB HIS A 62 -2.588 -6.464 10.230 1.00 0.00 C ATOM 989 CG HIS A 62 -3.875 -6.586 9.474 1.00 0.00 C ATOM 990 ND1 HIS A 62 -4.480 -7.794 9.204 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.675 -5.638 8.930 1.00 0.00 C ATOM 992 CE1 HIS A 62 -5.596 -7.586 8.527 1.00 0.00 C ATOM 993 NE2 HIS A 62 -5.736 -6.286 8.348 1.00 0.00 N ATOM 0 H HIS A 62 -0.015 -5.502 10.977 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.701 -5.461 8.552 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.095 -7.436 10.251 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.807 -6.195 11.263 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.509 -4.571 8.950 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.277 -8.349 8.180 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.508 -5.835 7.857 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.207 -3.115 9.180 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.572 -1.745 9.524 1.00 0.00 C ATOM 1004 C ALA A 63 -3.819 -1.302 8.767 1.00 0.00 C ATOM 1005 O ALA A 63 -4.199 -1.912 7.769 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.414 -0.802 9.236 1.00 0.00 C ATOM 0 H ALA A 63 -2.123 -3.293 8.179 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.796 -1.712 10.590 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.701 0.217 9.497 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.548 -1.098 9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.163 -0.848 8.176 1.00 0.00 H new ATOM 1012 N SER A 64 -4.447 -0.232 9.244 1.00 0.00 N ATOM 1013 CA SER A 64 -5.648 0.299 8.609 1.00 0.00 C ATOM 1014 C SER A 64 -5.625 1.824 8.623 1.00 0.00 C ATOM 1015 O SER A 64 -5.624 2.443 9.686 1.00 0.00 O ATOM 1016 CB SER A 64 -6.901 -0.214 9.322 1.00 0.00 C ATOM 1017 OG SER A 64 -7.938 -0.489 8.396 1.00 0.00 O ATOM 0 H SER A 64 -4.144 0.285 10.069 1.00 0.00 H new ATOM 0 HA SER A 64 -5.670 -0.043 7.574 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.660 -1.118 9.882 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.242 0.528 10.044 1.00 0.00 H new ATOM 0 HG SER A 64 -7.777 0.009 7.567 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.601 2.425 7.438 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.570 3.878 7.322 1.00 0.00 C ATOM 1025 C ALA A 65 -6.862 4.414 6.715 1.00 0.00 C ATOM 1026 O ALA A 65 -7.577 3.699 6.014 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.372 4.313 6.492 1.00 0.00 C ATOM 0 H ALA A 65 -5.602 1.930 6.546 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.476 4.295 8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.360 5.400 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.454 3.974 6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.442 3.877 5.495 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.150 5.683 6.989 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.351 6.326 6.471 1.00 0.00 C ATOM 1035 C GLU A 66 -8.007 7.663 5.821 1.00 0.00 C ATOM 1036 O GLU A 66 -6.982 8.269 6.134 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.368 6.537 7.593 1.00 0.00 C ATOM 1038 CG GLU A 66 -8.760 7.095 8.870 1.00 0.00 C ATOM 1039 CD GLU A 66 -9.784 7.782 9.753 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -10.602 8.559 9.217 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -9.768 7.542 10.978 1.00 0.00 O ATOM 0 H GLU A 66 -6.566 6.286 7.568 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.789 5.673 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.146 7.216 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.852 5.586 7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.290 6.285 9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.973 7.804 8.613 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.867 8.118 4.917 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.631 9.380 4.242 1.00 0.00 C ATOM 1050 C GLY A 67 -9.906 9.999 3.704 1.00 0.00 C ATOM 1051 O GLY A 67 -10.950 9.350 3.657 1.00 0.00 O ATOM 0 H GLY A 67 -9.722 7.636 4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.158 10.076 4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.932 9.223 3.420 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.820 11.264 3.301 1.00 0.00 N ATOM 1056 CA GLN A 68 -10.973 11.978 2.766 1.00 0.00 C ATOM 1057 C GLN A 68 -11.443 11.372 1.444 1.00 0.00 C ATOM 1058 O GLN A 68 -12.536 11.679 0.968 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.632 13.456 2.568 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.812 14.298 2.110 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.926 14.347 3.136 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -12.814 13.774 4.220 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -14.012 15.031 2.797 1.00 0.00 N ATOM 0 H GLN A 68 -8.962 11.815 3.335 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.785 11.886 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.250 13.861 3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.830 13.540 1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.471 15.312 1.901 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.201 13.894 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.062 15.491 1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.796 15.097 3.446 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.618 10.512 0.852 1.00 0.00 N ATOM 1073 CA ASP A 69 -10.962 9.871 -0.412 1.00 0.00 C ATOM 1074 C ASP A 69 -10.221 8.547 -0.567 1.00 0.00 C ATOM 1075 O ASP A 69 -9.399 8.184 0.274 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.630 10.796 -1.584 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.226 11.362 -1.495 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -9.034 12.362 -0.773 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.318 10.802 -2.145 1.00 0.00 O ATOM 0 H ASP A 69 -9.708 10.244 1.227 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.033 9.670 -0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.738 10.246 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.348 11.616 -1.611 1.00 0.00 H new ATOM 1084 N MET A 70 -10.515 7.831 -1.648 1.00 0.00 N ATOM 1085 CA MET A 70 -9.873 6.548 -1.911 1.00 0.00 C ATOM 1086 C MET A 70 -8.361 6.712 -2.024 1.00 0.00 C ATOM 1087 O MET A 70 -7.602 6.090 -1.281 1.00 0.00 O ATOM 1088 CB MET A 70 -10.430 5.928 -3.194 1.00 0.00 C ATOM 1089 CG MET A 70 -10.148 4.440 -3.322 1.00 0.00 C ATOM 1090 SD MET A 70 -11.553 3.520 -3.978 1.00 0.00 S ATOM 1091 CE MET A 70 -11.973 4.516 -5.406 1.00 0.00 C ATOM 0 H MET A 70 -11.193 8.117 -2.355 1.00 0.00 H new ATOM 0 HA MET A 70 -10.087 5.883 -1.074 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.507 6.089 -3.228 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.003 6.446 -4.053 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.286 4.292 -3.973 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.881 4.039 -2.344 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.238 3.865 -6.239 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.820 5.159 -5.165 1.00 0.00 H new ATOM 0 HE3 MET A 70 -11.118 5.132 -5.685 1.00 0.00 H new ATOM 1101 N TYR A 71 -7.930 7.554 -2.959 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.508 7.800 -3.171 1.00 0.00 C ATOM 1103 C TYR A 71 -5.832 8.253 -1.881 1.00 0.00 C ATOM 1104 O TYR A 71 -4.727 7.817 -1.561 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.309 8.856 -4.261 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.794 8.418 -5.624 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.186 7.362 -6.293 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -7.861 9.058 -6.242 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.626 6.959 -7.539 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -8.308 8.659 -7.488 1.00 0.00 C ATOM 1111 CZ TYR A 71 -7.688 7.610 -8.132 1.00 0.00 C ATOM 1112 OH TYR A 71 -8.129 7.210 -9.372 1.00 0.00 O ATOM 0 H TYR A 71 -8.546 8.077 -3.582 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.049 6.864 -3.490 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.834 9.767 -3.973 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.250 9.105 -4.324 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.356 6.848 -5.831 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.349 9.881 -5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.141 6.138 -8.046 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.139 9.167 -7.954 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.884 7.770 -9.647 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.505 9.128 -1.140 1.00 0.00 N ATOM 1123 CA ALA A 72 -5.970 9.637 0.117 1.00 0.00 C ATOM 1124 C ALA A 72 -5.734 8.504 1.110 1.00 0.00 C ATOM 1125 O ALA A 72 -4.654 8.384 1.686 1.00 0.00 O ATOM 1126 CB ALA A 72 -6.910 10.676 0.710 1.00 0.00 C ATOM 0 H ALA A 72 -7.422 9.499 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.010 10.110 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.497 11.047 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.024 11.505 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.883 10.222 0.896 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.756 7.674 1.304 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.666 6.547 2.228 1.00 0.00 C ATOM 1134 C ALA A 73 -5.425 5.701 1.951 1.00 0.00 C ATOM 1135 O ALA A 73 -4.814 5.156 2.872 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.920 5.692 2.139 1.00 0.00 C ATOM 0 H ALA A 73 -7.657 7.761 0.833 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.580 6.946 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.840 4.855 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.791 6.295 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.030 5.312 1.123 1.00 0.00 H new ATOM 1142 N ILE A 74 -5.054 5.602 0.678 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.884 4.829 0.285 1.00 0.00 C ATOM 1144 C ILE A 74 -2.600 5.589 0.601 1.00 0.00 C ATOM 1145 O ILE A 74 -1.566 4.986 0.885 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.914 4.478 -1.218 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.173 3.673 -1.550 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.667 3.698 -1.614 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.377 2.468 -0.657 1.00 0.00 C ATOM 0 H ILE A 74 -5.547 6.047 -0.096 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.906 3.903 0.859 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.932 5.407 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.043 4.325 -1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.119 3.341 -2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.709 3.461 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.781 4.300 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.618 2.774 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.288 1.947 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.526 1.794 -0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.464 2.794 0.379 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.674 6.916 0.560 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.517 7.752 0.853 1.00 0.00 C ATOM 1163 C ASP A 75 -1.037 7.508 2.281 1.00 0.00 C ATOM 1164 O ASP A 75 0.119 7.152 2.506 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.862 9.229 0.656 1.00 0.00 C ATOM 1166 CG ASP A 75 -1.039 9.875 -0.441 1.00 0.00 C ATOM 1167 OD1 ASP A 75 0.168 9.566 -0.536 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -1.600 10.687 -1.206 1.00 0.00 O ATOM 0 H ASP A 75 -3.522 7.434 0.327 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.715 7.488 0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.921 9.323 0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.700 9.765 1.591 1.00 0.00 H new ATOM 1173 N GLY A 76 -1.939 7.697 3.239 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.595 7.486 4.632 1.00 0.00 C ATOM 1175 C GLY A 76 -1.414 6.017 4.964 1.00 0.00 C ATOM 1176 O GLY A 76 -0.713 5.671 5.914 1.00 0.00 O ATOM 0 H GLY A 76 -2.901 7.992 3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.676 8.024 4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.377 7.906 5.265 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.043 5.152 4.173 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.945 3.711 4.381 1.00 0.00 C ATOM 1182 C LEU A 77 -0.563 3.204 3.981 1.00 0.00 C ATOM 1183 O LEU A 77 0.059 2.425 4.703 1.00 0.00 O ATOM 1184 CB LEU A 77 -3.028 2.987 3.576 1.00 0.00 C ATOM 1185 CG LEU A 77 -2.957 1.458 3.606 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.749 0.956 5.027 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -4.221 0.856 3.008 1.00 0.00 C ATOM 0 H LEU A 77 -2.626 5.424 3.382 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.095 3.503 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.003 3.296 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.967 3.316 2.539 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.104 1.143 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.702 -0.133 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.817 1.359 5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.580 1.282 5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.155 -0.232 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.087 1.182 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.327 1.186 1.975 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.088 3.661 2.828 1.00 0.00 N ATOM 1200 CA ILE A 78 1.224 3.265 2.330 1.00 0.00 C ATOM 1201 C ILE A 78 2.334 4.054 3.021 1.00 0.00 C ATOM 1202 O ILE A 78 3.503 3.670 2.970 1.00 0.00 O ATOM 1203 CB ILE A 78 1.327 3.470 0.804 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.268 2.634 0.086 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.720 3.108 0.304 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.361 1.156 0.394 1.00 0.00 C ATOM 0 H ILE A 78 -0.592 4.306 2.220 1.00 0.00 H new ATOM 0 HA ILE A 78 1.346 2.205 2.554 1.00 0.00 H new ATOM 0 HB ILE A 78 1.150 4.523 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.721 2.995 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.367 2.781 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.770 3.260 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.459 3.742 0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.929 2.063 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.419 0.622 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.338 0.781 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.232 0.999 1.465 1.00 0.00 H new ATOM 1218 N ASP A 79 1.961 5.149 3.677 1.00 0.00 N ATOM 1219 CA ASP A 79 2.930 5.976 4.384 1.00 0.00 C ATOM 1220 C ASP A 79 3.284 5.351 5.726 1.00 0.00 C ATOM 1221 O ASP A 79 4.449 5.058 5.998 1.00 0.00 O ATOM 1222 CB ASP A 79 2.375 7.387 4.591 1.00 0.00 C ATOM 1223 CG ASP A 79 2.788 8.338 3.485 1.00 0.00 C ATOM 1224 OD1 ASP A 79 2.826 7.906 2.314 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.074 9.516 3.789 1.00 0.00 O ATOM 0 H ASP A 79 0.999 5.482 3.733 1.00 0.00 H new ATOM 0 HA ASP A 79 3.835 6.040 3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.287 7.343 4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.723 7.775 5.549 1.00 0.00 H new ATOM 1230 N LYS A 80 2.269 5.135 6.557 1.00 0.00 N ATOM 1231 CA LYS A 80 2.471 4.531 7.867 1.00 0.00 C ATOM 1232 C LYS A 80 2.975 3.100 7.716 1.00 0.00 C ATOM 1233 O LYS A 80 3.754 2.614 8.535 1.00 0.00 O ATOM 1234 CB LYS A 80 1.167 4.548 8.666 1.00 0.00 C ATOM 1235 CG LYS A 80 1.288 3.925 10.047 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.019 3.290 10.490 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.135 4.319 10.580 1.00 0.00 C ATOM 1238 NZ LYS A 80 -1.349 4.785 11.978 1.00 0.00 N ATOM 0 H LYS A 80 1.299 5.370 6.345 1.00 0.00 H new ATOM 0 HA LYS A 80 3.219 5.112 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.829 5.579 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.400 4.016 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.075 3.171 10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.585 4.688 10.766 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.301 2.506 9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.117 2.813 11.461 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.894 5.172 9.946 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.059 3.887 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.118 5.485 11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.604 3.975 12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.475 5.220 12.336 1.00 0.00 H new ATOM 1252 N LEU A 81 2.524 2.434 6.657 1.00 0.00 N ATOM 1253 CA LEU A 81 2.929 1.060 6.388 1.00 0.00 C ATOM 1254 C LEU A 81 4.423 0.982 6.099 1.00 0.00 C ATOM 1255 O LEU A 81 5.123 0.126 6.636 1.00 0.00 O ATOM 1256 CB LEU A 81 2.134 0.495 5.205 1.00 0.00 C ATOM 1257 CG LEU A 81 0.767 -0.108 5.551 1.00 0.00 C ATOM 1258 CD1 LEU A 81 0.879 -1.614 5.716 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.190 0.526 6.812 1.00 0.00 C ATOM 0 H LEU A 81 1.878 2.825 5.971 1.00 0.00 H new ATOM 0 HA LEU A 81 2.719 0.463 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.985 1.292 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.737 -0.272 4.719 1.00 0.00 H new ATOM 0 HG LEU A 81 0.086 0.104 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.099 -2.027 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.237 -2.056 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.580 -1.841 6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.779 0.079 7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.868 0.355 7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.068 1.598 6.657 1.00 0.00 H new ATOM 1271 N ALA A 82 4.908 1.883 5.251 1.00 0.00 N ATOM 1272 CA ALA A 82 6.322 1.912 4.897 1.00 0.00 C ATOM 1273 C ALA A 82 7.193 2.083 6.139 1.00 0.00 C ATOM 1274 O ALA A 82 8.053 1.251 6.426 1.00 0.00 O ATOM 1275 CB ALA A 82 6.596 3.028 3.900 1.00 0.00 C ATOM 0 H ALA A 82 4.344 2.601 4.797 1.00 0.00 H new ATOM 0 HA ALA A 82 6.575 0.958 4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.656 3.037 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.008 2.862 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.321 3.986 4.341 1.00 0.00 H new ATOM 1281 N ARG A 83 6.962 3.169 6.870 1.00 0.00 N ATOM 1282 CA ARG A 83 7.724 3.457 8.082 1.00 0.00 C ATOM 1283 C ARG A 83 7.724 2.260 9.032 1.00 0.00 C ATOM 1284 O ARG A 83 8.699 2.023 9.747 1.00 0.00 O ATOM 1285 CB ARG A 83 7.147 4.683 8.793 1.00 0.00 C ATOM 1286 CG ARG A 83 6.992 5.894 7.886 1.00 0.00 C ATOM 1287 CD ARG A 83 7.047 7.194 8.673 1.00 0.00 C ATOM 1288 NE ARG A 83 6.051 8.157 8.210 1.00 0.00 N ATOM 1289 CZ ARG A 83 5.645 9.205 8.925 1.00 0.00 C ATOM 1290 NH1 ARG A 83 6.145 9.427 10.133 1.00 0.00 N ATOM 1291 NH2 ARG A 83 4.736 10.032 8.428 1.00 0.00 N ATOM 0 H ARG A 83 6.252 3.866 6.644 1.00 0.00 H new ATOM 0 HA ARG A 83 8.753 3.662 7.788 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.174 4.426 9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.794 4.946 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.781 5.890 7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.043 5.831 7.353 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.885 6.985 9.730 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.042 7.630 8.583 1.00 0.00 H new ATOM 0 HE ARG A 83 5.643 8.019 7.286 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.845 8.793 10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.830 10.231 10.675 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.348 9.865 7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.424 10.835 8.974 1.00 0.00 H new ATOM 1305 N GLN A 84 6.629 1.508 9.033 1.00 0.00 N ATOM 1306 CA GLN A 84 6.506 0.336 9.893 1.00 0.00 C ATOM 1307 C GLN A 84 7.318 -0.830 9.340 1.00 0.00 C ATOM 1308 O GLN A 84 8.038 -1.506 10.075 1.00 0.00 O ATOM 1309 CB GLN A 84 5.036 -0.066 10.034 1.00 0.00 C ATOM 1310 CG GLN A 84 4.420 0.330 11.365 1.00 0.00 C ATOM 1311 CD GLN A 84 4.951 -0.497 12.521 1.00 0.00 C ATOM 1312 OE1 GLN A 84 5.459 -1.600 12.328 1.00 0.00 O ATOM 1313 NE2 GLN A 84 4.832 0.036 13.732 1.00 0.00 N ATOM 0 H GLN A 84 5.813 1.689 8.448 1.00 0.00 H new ATOM 0 HA GLN A 84 6.899 0.592 10.877 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.464 0.393 9.228 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.950 -1.146 9.911 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.620 1.384 11.555 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.337 0.216 11.309 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.404 0.955 13.845 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.169 -0.473 14.549 1.00 0.00 H new ATOM 1322 N LEU A 85 7.198 -1.058 8.036 1.00 0.00 N ATOM 1323 CA LEU A 85 7.920 -2.141 7.377 1.00 0.00 C ATOM 1324 C LEU A 85 9.426 -1.962 7.538 1.00 0.00 C ATOM 1325 O LEU A 85 10.150 -2.922 7.798 1.00 0.00 O ATOM 1326 CB LEU A 85 7.557 -2.195 5.889 1.00 0.00 C ATOM 1327 CG LEU A 85 6.296 -3.001 5.541 1.00 0.00 C ATOM 1328 CD1 LEU A 85 6.663 -4.427 5.162 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.300 -2.993 6.694 1.00 0.00 C ATOM 0 H LEU A 85 6.607 -0.507 7.414 1.00 0.00 H new ATOM 0 HA LEU A 85 7.629 -3.080 7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.425 -1.175 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.400 -2.619 5.343 1.00 0.00 H new ATOM 0 HG LEU A 85 5.819 -2.525 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.758 -4.983 4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.325 -4.414 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.170 -4.907 5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.419 -3.571 6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.762 -3.435 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.006 -1.967 6.914 1.00 0.00 H new ATOM 1341 N THR A 86 9.890 -0.726 7.383 1.00 0.00 N ATOM 1342 CA THR A 86 11.310 -0.420 7.511 1.00 0.00 C ATOM 1343 C THR A 86 11.782 -0.619 8.948 1.00 0.00 C ATOM 1344 O THR A 86 12.877 -1.127 9.186 1.00 0.00 O ATOM 1345 CB THR A 86 11.583 1.017 7.065 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.860 1.323 5.886 1.00 0.00 O ATOM 1347 CG2 THR A 86 13.047 1.289 6.789 1.00 0.00 C ATOM 0 H THR A 86 9.303 0.080 7.169 1.00 0.00 H new ATOM 0 HA THR A 86 11.865 -1.104 6.869 1.00 0.00 H new ATOM 0 HB THR A 86 11.263 1.644 7.898 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.914 1.453 6.107 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.172 2.326 6.477 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.627 1.110 7.694 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.397 0.627 5.997 1.00 0.00 H new ATOM 1355 N LYS A 87 10.950 -0.213 9.902 1.00 0.00 N ATOM 1356 CA LYS A 87 11.283 -0.343 11.317 1.00 0.00 C ATOM 1357 C LYS A 87 11.657 -1.784 11.662 1.00 0.00 C ATOM 1358 O LYS A 87 12.796 -2.066 12.036 1.00 0.00 O ATOM 1359 CB LYS A 87 10.108 0.112 12.184 1.00 0.00 C ATOM 1360 CG LYS A 87 10.529 0.906 13.410 1.00 0.00 C ATOM 1361 CD LYS A 87 11.058 2.279 13.031 1.00 0.00 C ATOM 1362 CE LYS A 87 12.276 2.657 13.858 1.00 0.00 C ATOM 1363 NZ LYS A 87 13.545 2.448 13.109 1.00 0.00 N ATOM 0 H LYS A 87 10.039 0.209 9.721 1.00 0.00 H new ATOM 0 HA LYS A 87 12.144 0.294 11.520 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.436 0.721 11.580 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.543 -0.763 12.505 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.679 1.016 14.083 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.297 0.357 13.954 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.318 2.290 11.973 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.275 3.024 13.174 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.200 3.702 14.158 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.292 2.063 14.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.351 2.718 13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.631 1.446 12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.542 3.034 12.250 1.00 0.00 H new ATOM 1377 N HIS A 88 10.694 -2.690 11.534 1.00 0.00 N ATOM 1378 CA HIS A 88 10.929 -4.099 11.831 1.00 0.00 C ATOM 1379 C HIS A 88 12.000 -4.672 10.906 1.00 0.00 C ATOM 1380 O HIS A 88 12.819 -5.492 11.319 1.00 0.00 O ATOM 1381 CB HIS A 88 9.624 -4.898 11.710 1.00 0.00 C ATOM 1382 CG HIS A 88 9.306 -5.347 10.314 1.00 0.00 C ATOM 1383 ND1 HIS A 88 9.891 -6.285 9.531 1.00 0.00 N flip ATOM 1384 CD2 HIS A 88 8.276 -4.816 9.568 1.00 0.00 C flip ATOM 1385 CE1 HIS A 88 9.209 -6.304 8.340 1.00 0.00 C flip ATOM 1386 NE2 HIS A 88 8.239 -5.411 8.386 1.00 0.00 N flip ATOM 0 H HIS A 88 9.745 -2.475 11.227 1.00 0.00 H new ATOM 0 HA HIS A 88 11.287 -4.180 12.857 1.00 0.00 H new ATOM 0 HB2 HIS A 88 9.686 -5.774 12.356 1.00 0.00 H new ATOM 0 HB3 HIS A 88 8.801 -4.286 12.080 1.00 0.00 H new ATOM 0 HD1 HIS A 88 10.690 -6.869 9.780 1.00 0.00 H new ATOM 0 HD2 HIS A 88 7.604 -4.037 9.896 1.00 0.00 H new ATOM 0 HE1 HIS A 88 9.431 -6.946 7.501 1.00 0.00 H new ATOM 1395 N LYS A 89 11.982 -4.232 9.652 1.00 0.00 N ATOM 1396 CA LYS A 89 12.949 -4.696 8.664 1.00 0.00 C ATOM 1397 C LYS A 89 14.369 -4.283 9.047 1.00 0.00 C ATOM 1398 O LYS A 89 15.343 -4.838 8.538 1.00 0.00 O ATOM 1399 CB LYS A 89 12.599 -4.140 7.282 1.00 0.00 C ATOM 1400 CG LYS A 89 13.533 -4.615 6.179 1.00 0.00 C ATOM 1401 CD LYS A 89 14.208 -3.448 5.477 1.00 0.00 C ATOM 1402 CE LYS A 89 15.645 -3.777 5.106 1.00 0.00 C ATOM 1403 NZ LYS A 89 16.321 -2.635 4.431 1.00 0.00 N ATOM 0 H LYS A 89 11.308 -3.554 9.296 1.00 0.00 H new ATOM 0 HA LYS A 89 12.906 -5.785 8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.578 -4.429 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 89 12.622 -3.051 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.291 -5.274 6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.971 -5.201 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.649 -3.190 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.190 -2.572 6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.199 -4.047 6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.660 -4.647 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.298 -2.901 4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.808 -2.394 3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.330 -1.812 5.067 1.00 0.00 H new ATOM 1417 N ASP A 90 14.483 -3.312 9.950 1.00 0.00 N ATOM 1418 CA ASP A 90 15.787 -2.836 10.398 1.00 0.00 C ATOM 1419 C ASP A 90 16.289 -3.669 11.574 1.00 0.00 C ATOM 1420 O ASP A 90 17.494 -3.854 11.747 1.00 0.00 O ATOM 1421 CB ASP A 90 15.707 -1.362 10.799 1.00 0.00 C ATOM 1422 CG ASP A 90 17.077 -0.730 10.947 1.00 0.00 C ATOM 1423 OD1 ASP A 90 17.904 -1.275 11.708 1.00 0.00 O ATOM 1424 OD2 ASP A 90 17.323 0.312 10.304 1.00 0.00 O ATOM 0 H ASP A 90 13.689 -2.841 10.384 1.00 0.00 H new ATOM 0 HA ASP A 90 16.490 -2.940 9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.136 -0.814 10.049 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.165 -1.273 11.740 1.00 0.00 H new ATOM 1429 N LYS A 91 15.355 -4.168 12.379 1.00 0.00 N ATOM 1430 CA LYS A 91 15.697 -4.982 13.541 1.00 0.00 C ATOM 1431 C LYS A 91 16.586 -6.153 13.140 1.00 0.00 C ATOM 1432 O LYS A 91 17.460 -6.572 13.898 1.00 0.00 O ATOM 1433 CB LYS A 91 14.430 -5.506 14.217 1.00 0.00 C ATOM 1434 CG LYS A 91 13.433 -4.414 14.565 1.00 0.00 C ATOM 1435 CD LYS A 91 12.188 -4.985 15.225 1.00 0.00 C ATOM 1436 CE LYS A 91 12.256 -4.868 16.739 1.00 0.00 C ATOM 1437 NZ LYS A 91 11.374 -5.861 17.414 1.00 0.00 N ATOM 0 H LYS A 91 14.354 -4.022 12.247 1.00 0.00 H new ATOM 0 HA LYS A 91 16.243 -4.352 14.243 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.949 -6.230 13.559 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.707 -6.038 15.127 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.902 -3.692 15.234 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.152 -3.875 13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.307 -4.459 14.858 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.074 -6.032 14.945 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.285 -5.014 17.068 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.965 -3.861 17.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.449 -5.748 18.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.388 -5.706 17.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.668 -6.823 17.149 1.00 0.00 H new ATOM 1451 N LEU A 92 16.354 -6.678 11.941 1.00 0.00 N ATOM 1452 CA LEU A 92 17.132 -7.801 11.440 1.00 0.00 C ATOM 1453 C LEU A 92 18.451 -7.321 10.841 1.00 0.00 C ATOM 1454 O LEU A 92 18.730 -7.545 9.662 1.00 0.00 O ATOM 1455 CB LEU A 92 16.329 -8.577 10.393 1.00 0.00 C ATOM 1456 CG LEU A 92 14.984 -9.121 10.881 1.00 0.00 C ATOM 1457 CD1 LEU A 92 13.926 -8.996 9.794 1.00 0.00 C ATOM 1458 CD2 LEU A 92 15.129 -10.569 11.327 1.00 0.00 C ATOM 0 H LEU A 92 15.634 -6.343 11.301 1.00 0.00 H new ATOM 0 HA LEU A 92 17.355 -8.463 12.277 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.151 -7.926 9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.934 -9.411 10.038 1.00 0.00 H new ATOM 0 HG LEU A 92 14.662 -8.527 11.736 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.978 -9.388 10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.804 -7.947 9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.237 -9.563 8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.164 -10.942 11.671 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.474 -11.175 10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.852 -10.629 12.140 1.00 0.00 H new ATOM 1470 N LYS A 93 19.261 -6.659 11.660 1.00 0.00 N ATOM 1471 CA LYS A 93 20.550 -6.144 11.214 1.00 0.00 C ATOM 1472 C LYS A 93 21.654 -6.516 12.200 1.00 0.00 C ATOM 1473 O LYS A 93 21.385 -6.817 13.363 1.00 0.00 O ATOM 1474 CB LYS A 93 20.487 -4.625 11.048 1.00 0.00 C ATOM 1475 CG LYS A 93 21.792 -4.010 10.568 1.00 0.00 C ATOM 1476 CD LYS A 93 21.666 -2.506 10.388 1.00 0.00 C ATOM 1477 CE LYS A 93 22.911 -1.776 10.871 1.00 0.00 C ATOM 1478 NZ LYS A 93 23.508 -0.928 9.804 1.00 0.00 N ATOM 0 H LYS A 93 19.047 -6.466 12.638 1.00 0.00 H new ATOM 0 HA LYS A 93 20.781 -6.597 10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.696 -4.378 10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.212 -4.175 12.002 1.00 0.00 H new ATOM 0 HG2 LYS A 93 22.583 -4.227 11.286 1.00 0.00 H new ATOM 0 HG3 LYS A 93 22.085 -4.467 9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.496 -2.278 9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.796 -2.145 10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 93 22.657 -1.154 11.729 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.648 -2.503 11.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 24.353 -0.448 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.775 -1.525 8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.814 -0.217 9.496 1.00 0.00 H new ATOM 1492 N GLN A 94 22.895 -6.493 11.726 1.00 0.00 N ATOM 1493 CA GLN A 94 24.040 -6.827 12.565 1.00 0.00 C ATOM 1494 C GLN A 94 24.131 -5.887 13.763 1.00 0.00 C ATOM 1495 O GLN A 94 24.399 -4.695 13.610 1.00 0.00 O ATOM 1496 CB GLN A 94 25.333 -6.759 11.750 1.00 0.00 C ATOM 1497 CG GLN A 94 25.490 -5.469 10.964 1.00 0.00 C ATOM 1498 CD GLN A 94 26.904 -4.925 11.012 1.00 0.00 C ATOM 1499 OE1 GLN A 94 27.824 -5.502 10.431 1.00 0.00 O ATOM 1500 NE2 GLN A 94 27.086 -3.810 11.710 1.00 0.00 N ATOM 0 H GLN A 94 23.134 -6.247 10.765 1.00 0.00 H new ATOM 0 HA GLN A 94 23.903 -7.844 12.934 1.00 0.00 H new ATOM 0 HB2 GLN A 94 26.183 -6.870 12.423 1.00 0.00 H new ATOM 0 HB3 GLN A 94 25.362 -7.601 11.059 1.00 0.00 H new ATOM 0 HG2 GLN A 94 25.207 -5.644 9.926 1.00 0.00 H new ATOM 0 HG3 GLN A 94 24.803 -4.721 11.360 1.00 0.00 H new ATOM 0 HE21 GLN A 94 26.295 -3.365 12.176 1.00 0.00 H new ATOM 0 HE22 GLN A 94 28.017 -3.399 11.780 1.00 0.00 H new ATOM 1509 N HIS A 95 23.905 -6.432 14.954 1.00 0.00 N ATOM 1510 CA HIS A 95 23.963 -5.641 16.178 1.00 0.00 C ATOM 1511 C HIS A 95 25.173 -6.029 17.021 1.00 0.00 C ATOM 1512 O HIS A 95 25.936 -6.917 16.586 1.00 0.00 O ATOM 1513 CB HIS A 95 22.679 -5.828 16.990 1.00 0.00 C ATOM 1514 CG HIS A 95 22.432 -7.248 17.398 1.00 0.00 C ATOM 1515 ND1 HIS A 95 22.842 -7.765 18.608 1.00 0.00 N ATOM 1516 CD2 HIS A 95 21.811 -8.260 16.748 1.00 0.00 C ATOM 1517 CE1 HIS A 95 22.486 -9.035 18.685 1.00 0.00 C ATOM 1518 NE2 HIS A 95 21.858 -9.359 17.570 1.00 0.00 N ATOM 1519 OXT HIS A 95 25.348 -5.439 18.108 1.00 0.00 O ATOM 0 H HIS A 95 23.680 -7.417 15.098 1.00 0.00 H new ATOM 0 HA HIS A 95 24.060 -4.592 15.899 1.00 0.00 H new ATOM 0 HB2 HIS A 95 22.729 -5.205 17.883 1.00 0.00 H new ATOM 0 HB3 HIS A 95 21.832 -5.475 16.402 1.00 0.00 H new ATOM 0 HD2 HIS A 95 21.363 -8.212 15.767 1.00 0.00 H new ATOM 0 HE1 HIS A 95 22.676 -9.695 19.518 1.00 0.00 H new ATOM 0 HE2 HIS A 95 21.470 -10.277 17.354 1.00 0.00 H new TER 1528 HIS A 95