USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 933 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 13 ASN : amide:sc=-0.00877 K(o=-0.016,f=0.57) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc=-0.00678 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.414 USER MOD Set 2.2: C 21 THR OG1 : rot -72:sc= 0.447 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.0119 X(o=-0.015,f=-0.23) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc=-0.00319 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.255 USER MOD Set 4.2: A 21 THR OG1 : rot -73:sc= 0.274 USER MOD Single : A 1 MET CE :methyl 176:sc= -0.309 (180deg=-0.359) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0216 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.459 K(o=-0.46,f=-3.3!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.921 X(o=-0.92,f=-0.43) USER MOD Single : A 48 TYR OH : rot 55:sc= 0.232 USER MOD Single : A 49 GLN : amide:sc= 0.987 K(o=0.99,f=0) USER MOD Single : A 52 GLN : amide:sc= -2.89! K(o=-2.9!,f=-1.5) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 171:sc= 0 (180deg=-0.0996) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : C 29 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : C 35 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HD1:sc= -1.15 X(o=-1.2,f=-0.68) USER MOD Single : C 48 TYR OH : rot 41:sc= 0.547 USER MOD Single : C 49 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : C 52 GLN : amide:sc= -3.55! K(o=-3.5!,f=-1.4) USER MOD Single : C 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.873 -8.209 -10.300 1.00 0.00 N ATOM 2 CA MET A 1 4.213 -7.198 -9.456 1.00 0.00 C ATOM 3 C MET A 1 2.888 -7.750 -8.944 1.00 0.00 C ATOM 4 O MET A 1 2.173 -8.409 -9.696 1.00 0.00 O ATOM 5 CB MET A 1 3.990 -5.906 -10.250 1.00 0.00 C ATOM 6 CG MET A 1 3.829 -4.713 -9.308 1.00 0.00 C ATOM 7 SD MET A 1 3.676 -3.113 -10.147 1.00 0.00 S ATOM 8 CE MET A 1 2.026 -3.313 -10.862 1.00 0.00 C ATOM 0 H1 MET A 1 5.367 -7.738 -11.085 1.00 0.00 H new ATOM 0 H2 MET A 1 5.560 -8.743 -9.730 1.00 0.00 H new ATOM 0 H3 MET A 1 4.159 -8.862 -10.682 1.00 0.00 H new ATOM 0 HA MET A 1 4.852 -6.966 -8.604 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.833 -5.735 -10.920 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.102 -6.005 -10.874 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.946 -4.871 -8.689 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.687 -4.677 -8.637 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.731 -2.390 -11.361 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.039 -4.128 -11.586 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.312 -3.542 -10.071 1.00 0.00 H new ATOM 20 N LEU A 2 2.555 -7.493 -7.677 1.00 0.00 N ATOM 21 CA LEU A 2 1.348 -8.029 -7.065 1.00 0.00 C ATOM 22 C LEU A 2 0.321 -6.896 -6.965 1.00 0.00 C ATOM 23 O LEU A 2 0.658 -5.796 -6.538 1.00 0.00 O ATOM 24 CB LEU A 2 1.734 -8.595 -5.687 1.00 0.00 C ATOM 25 CG LEU A 2 0.794 -9.663 -5.097 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.808 -9.569 -3.576 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.651 -9.573 -5.565 1.00 0.00 C ATOM 0 H LEU A 2 3.114 -6.910 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 2 0.903 -8.832 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.734 -9.023 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.794 -7.766 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 2 1.181 -10.616 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.143 -10.325 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.821 -9.736 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.470 -8.579 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.235 -10.365 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.064 -8.604 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.690 -9.686 -6.648 1.00 0.00 H new ATOM 39 N ILE A 3 -0.931 -7.158 -7.352 1.00 0.00 N ATOM 40 CA ILE A 3 -2.005 -6.169 -7.317 1.00 0.00 C ATOM 41 C ILE A 3 -3.126 -6.663 -6.416 1.00 0.00 C ATOM 42 O ILE A 3 -3.470 -7.845 -6.422 1.00 0.00 O ATOM 43 CB ILE A 3 -2.534 -5.892 -8.735 1.00 0.00 C ATOM 44 CG1 ILE A 3 -1.527 -5.072 -9.549 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.837 -5.088 -8.700 1.00 0.00 C ATOM 46 CD1 ILE A 3 -0.514 -5.944 -10.286 1.00 0.00 C ATOM 0 H ILE A 3 -1.227 -8.070 -7.700 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.612 -5.235 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.700 -6.867 -9.193 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.065 -4.458 -10.271 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.997 -4.391 -8.883 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.182 -4.910 -9.718 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.595 -5.648 -8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.662 -4.133 -8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.173 -5.309 -10.845 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.047 -6.539 -9.565 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.038 -6.607 -10.975 1.00 0.00 H new ATOM 58 N LEU A 4 -3.694 -5.739 -5.641 1.00 0.00 N ATOM 59 CA LEU A 4 -4.785 -5.993 -4.715 1.00 0.00 C ATOM 60 C LEU A 4 -5.885 -4.976 -4.983 1.00 0.00 C ATOM 61 O LEU A 4 -5.682 -3.973 -5.666 1.00 0.00 O ATOM 62 CB LEU A 4 -4.314 -5.815 -3.263 1.00 0.00 C ATOM 63 CG LEU A 4 -3.709 -7.043 -2.573 1.00 0.00 C ATOM 64 CD1 LEU A 4 -4.729 -8.165 -2.423 1.00 0.00 C ATOM 65 CD2 LEU A 4 -2.501 -7.595 -3.313 1.00 0.00 C ATOM 0 H LEU A 4 -3.394 -4.764 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.141 -7.014 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.573 -5.016 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.164 -5.477 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.393 -6.693 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.262 -9.018 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.570 -7.815 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.086 -8.466 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.113 -8.463 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.795 -7.889 -4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.728 -6.829 -3.370 1.00 0.00 H new ATOM 77 N THR A 5 -7.061 -5.251 -4.426 1.00 0.00 N ATOM 78 CA THR A 5 -8.192 -4.349 -4.475 1.00 0.00 C ATOM 79 C THR A 5 -8.665 -4.190 -3.039 1.00 0.00 C ATOM 80 O THR A 5 -8.768 -5.173 -2.300 1.00 0.00 O ATOM 81 CB THR A 5 -9.268 -4.926 -5.394 1.00 0.00 C ATOM 82 OG1 THR A 5 -8.729 -5.048 -6.692 1.00 0.00 O ATOM 83 CG2 THR A 5 -10.504 -4.034 -5.488 1.00 0.00 C ATOM 0 H THR A 5 -7.251 -6.118 -3.924 1.00 0.00 H new ATOM 0 HA THR A 5 -7.937 -3.372 -4.886 1.00 0.00 H new ATOM 0 HB THR A 5 -9.572 -5.886 -4.977 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.407 -5.419 -7.294 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.235 -4.493 -6.154 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.942 -3.913 -4.497 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.219 -3.058 -5.880 1.00 0.00 H new ATOM 91 N ARG A 6 -8.953 -2.959 -2.629 1.00 0.00 N ATOM 92 CA ARG A 6 -9.239 -2.659 -1.236 1.00 0.00 C ATOM 93 C ARG A 6 -10.367 -1.641 -1.174 1.00 0.00 C ATOM 94 O ARG A 6 -10.775 -1.119 -2.209 1.00 0.00 O ATOM 95 CB ARG A 6 -7.941 -2.136 -0.606 1.00 0.00 C ATOM 96 CG ARG A 6 -7.876 -2.199 0.924 1.00 0.00 C ATOM 97 CD ARG A 6 -7.817 -3.634 1.456 1.00 0.00 C ATOM 98 NE ARG A 6 -9.134 -4.275 1.468 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.383 -5.545 1.153 1.00 0.00 C ATOM 100 NH1 ARG A 6 -8.406 -6.371 0.783 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.631 -5.992 1.209 1.00 0.00 N ATOM 0 H ARG A 6 -8.994 -2.150 -3.249 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.568 -3.538 -0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.106 -2.707 -1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.799 -1.101 -0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.999 -1.652 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.749 -1.697 1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.135 -4.220 0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.408 -3.628 2.467 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.930 -3.699 1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.444 -6.035 0.737 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.620 -7.340 0.546 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.385 -5.365 1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.836 -6.962 0.971 1.00 0.00 H new ATOM 115 N LYS A 7 -10.878 -1.351 0.026 1.00 0.00 N ATOM 116 CA LYS A 7 -11.972 -0.401 0.177 1.00 0.00 C ATOM 117 C LYS A 7 -11.685 0.526 1.350 1.00 0.00 C ATOM 118 O LYS A 7 -10.948 0.162 2.265 1.00 0.00 O ATOM 119 CB LYS A 7 -13.289 -1.158 0.376 1.00 0.00 C ATOM 120 CG LYS A 7 -13.409 -2.313 -0.623 1.00 0.00 C ATOM 121 CD LYS A 7 -14.781 -2.980 -0.525 1.00 0.00 C ATOM 122 CE LYS A 7 -14.777 -4.254 -1.368 1.00 0.00 C ATOM 123 NZ LYS A 7 -16.027 -5.019 -1.197 1.00 0.00 N ATOM 0 H LYS A 7 -10.550 -1.761 0.901 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.062 0.206 -0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.341 -1.545 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.129 -0.475 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.253 -1.941 -1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.628 -3.049 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.011 -3.217 0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.556 -2.299 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.648 -3.996 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.927 -4.876 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.991 -5.878 -1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.137 -5.286 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.835 -4.433 -1.490 1.00 0.00 H new ATOM 137 N VAL A 8 -12.278 1.723 1.317 1.00 0.00 N ATOM 138 CA VAL A 8 -12.065 2.742 2.335 1.00 0.00 C ATOM 139 C VAL A 8 -12.301 2.154 3.722 1.00 0.00 C ATOM 140 O VAL A 8 -13.422 1.762 4.047 1.00 0.00 O ATOM 141 CB VAL A 8 -13.014 3.916 2.075 1.00 0.00 C ATOM 142 CG1 VAL A 8 -12.881 4.943 3.196 1.00 0.00 C ATOM 143 CG2 VAL A 8 -12.676 4.574 0.736 1.00 0.00 C ATOM 0 H VAL A 8 -12.921 2.008 0.578 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.036 3.099 2.290 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.038 3.544 2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.557 5.777 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.135 4.477 4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.855 5.310 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.355 5.408 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.650 4.941 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.782 3.843 -0.066 1.00 0.00 H new ATOM 153 N GLY A 9 -11.246 2.093 4.539 1.00 0.00 N ATOM 154 CA GLY A 9 -11.359 1.616 5.911 1.00 0.00 C ATOM 155 C GLY A 9 -10.727 0.241 6.111 1.00 0.00 C ATOM 156 O GLY A 9 -10.933 -0.376 7.155 1.00 0.00 O ATOM 0 H GLY A 9 -10.302 2.370 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.882 2.332 6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.412 1.572 6.190 1.00 0.00 H new ATOM 160 N GLU A 10 -9.963 -0.245 5.126 1.00 0.00 N ATOM 161 CA GLU A 10 -9.323 -1.555 5.193 1.00 0.00 C ATOM 162 C GLU A 10 -7.812 -1.417 4.995 1.00 0.00 C ATOM 163 O GLU A 10 -7.313 -0.315 4.758 1.00 0.00 O ATOM 164 CB GLU A 10 -9.936 -2.480 4.143 1.00 0.00 C ATOM 165 CG GLU A 10 -11.448 -2.641 4.337 1.00 0.00 C ATOM 166 CD GLU A 10 -12.047 -3.564 3.280 1.00 0.00 C ATOM 167 OE1 GLU A 10 -11.629 -3.444 2.106 1.00 0.00 O ATOM 168 OE2 GLU A 10 -12.910 -4.385 3.651 1.00 0.00 O ATOM 0 H GLU A 10 -9.774 0.262 4.262 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.492 -1.991 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.738 -2.082 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.457 -3.458 4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.649 -3.043 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.930 -1.664 4.285 1.00 0.00 H new ATOM 175 N SER A 11 -7.074 -2.529 5.084 1.00 0.00 N ATOM 176 CA SER A 11 -5.618 -2.483 5.114 1.00 0.00 C ATOM 177 C SER A 11 -4.971 -3.642 4.359 1.00 0.00 C ATOM 178 O SER A 11 -5.633 -4.605 3.974 1.00 0.00 O ATOM 179 CB SER A 11 -5.152 -2.514 6.571 1.00 0.00 C ATOM 180 OG SER A 11 -5.666 -1.407 7.281 1.00 0.00 O ATOM 0 H SER A 11 -7.466 -3.469 5.136 1.00 0.00 H new ATOM 0 HA SER A 11 -5.310 -1.563 4.618 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.480 -3.440 7.044 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.063 -2.504 6.610 1.00 0.00 H new ATOM 0 HG SER A 11 -5.359 -1.444 8.211 1.00 0.00 H new ATOM 186 N ILE A 12 -3.655 -3.522 4.165 1.00 0.00 N ATOM 187 CA ILE A 12 -2.796 -4.497 3.510 1.00 0.00 C ATOM 188 C ILE A 12 -1.546 -4.645 4.382 1.00 0.00 C ATOM 189 O ILE A 12 -1.290 -3.789 5.227 1.00 0.00 O ATOM 190 CB ILE A 12 -2.431 -3.996 2.100 1.00 0.00 C ATOM 191 CG1 ILE A 12 -3.667 -3.787 1.211 1.00 0.00 C ATOM 192 CG2 ILE A 12 -1.464 -4.956 1.394 1.00 0.00 C ATOM 193 CD1 ILE A 12 -4.417 -5.081 0.896 1.00 0.00 C ATOM 0 H ILE A 12 -3.140 -2.699 4.478 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.293 -5.461 3.398 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.944 -3.032 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.347 -3.093 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.358 -3.319 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.228 -4.571 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.547 -5.043 1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.929 -5.938 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.277 -4.858 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.752 -5.769 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.757 -5.540 1.824 1.00 0.00 H new ATOM 205 N ASN A 13 -0.764 -5.709 4.202 1.00 0.00 N ATOM 206 CA ASN A 13 0.394 -5.954 5.044 1.00 0.00 C ATOM 207 C ASN A 13 1.576 -6.460 4.220 1.00 0.00 C ATOM 208 O ASN A 13 1.388 -7.135 3.209 1.00 0.00 O ATOM 209 CB ASN A 13 -0.011 -6.962 6.126 1.00 0.00 C ATOM 210 CG ASN A 13 1.032 -7.055 7.230 1.00 0.00 C ATOM 211 OD1 ASN A 13 2.093 -7.644 7.046 1.00 0.00 O ATOM 212 ND2 ASN A 13 0.729 -6.470 8.383 1.00 0.00 N ATOM 0 H ASN A 13 -0.916 -6.412 3.479 1.00 0.00 H new ATOM 0 HA ASN A 13 0.719 -5.025 5.512 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.969 -6.669 6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.151 -7.944 5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.390 -6.500 9.159 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.165 -5.991 8.492 1.00 0.00 H new ATOM 219 N ILE A 14 2.791 -6.126 4.659 1.00 0.00 N ATOM 220 CA ILE A 14 4.021 -6.492 3.968 1.00 0.00 C ATOM 221 C ILE A 14 5.097 -6.851 4.991 1.00 0.00 C ATOM 222 O ILE A 14 5.147 -6.286 6.085 1.00 0.00 O ATOM 223 CB ILE A 14 4.485 -5.324 3.085 1.00 0.00 C ATOM 224 CG1 ILE A 14 3.411 -4.987 2.041 1.00 0.00 C ATOM 225 CG2 ILE A 14 5.810 -5.674 2.396 1.00 0.00 C ATOM 226 CD1 ILE A 14 3.815 -3.824 1.138 1.00 0.00 C ATOM 0 H ILE A 14 2.946 -5.589 5.512 1.00 0.00 H new ATOM 0 HA ILE A 14 3.839 -7.359 3.333 1.00 0.00 H new ATOM 0 HB ILE A 14 4.642 -4.449 3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.216 -5.867 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.479 -4.740 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.128 -4.838 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.571 -5.874 3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.674 -6.559 1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.020 -3.628 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.983 -2.934 1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.731 -4.078 0.605 1.00 0.00 H new ATOM 238 N GLY A 15 5.971 -7.797 4.636 1.00 0.00 N ATOM 239 CA GLY A 15 7.051 -8.227 5.503 1.00 0.00 C ATOM 240 C GLY A 15 6.511 -8.737 6.835 1.00 0.00 C ATOM 241 O GLY A 15 5.538 -9.489 6.875 1.00 0.00 O ATOM 0 H GLY A 15 5.943 -8.281 3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.624 -9.014 5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.735 -7.396 5.678 1.00 0.00 H new ATOM 245 N ASP A 16 7.160 -8.319 7.926 1.00 0.00 N ATOM 246 CA ASP A 16 6.770 -8.673 9.283 1.00 0.00 C ATOM 247 C ASP A 16 6.695 -7.414 10.154 1.00 0.00 C ATOM 248 O ASP A 16 6.486 -7.506 11.361 1.00 0.00 O ATOM 249 CB ASP A 16 7.763 -9.700 9.835 1.00 0.00 C ATOM 250 CG ASP A 16 7.344 -10.230 11.206 1.00 0.00 C ATOM 251 OD1 ASP A 16 6.177 -10.666 11.332 1.00 0.00 O ATOM 252 OD2 ASP A 16 8.195 -10.200 12.123 1.00 0.00 O ATOM 0 H ASP A 16 7.982 -7.717 7.884 1.00 0.00 H new ATOM 0 HA ASP A 16 5.778 -9.124 9.287 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.848 -10.532 9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.750 -9.244 9.910 1.00 0.00 H new ATOM 257 N ASP A 17 6.872 -6.235 9.542 1.00 0.00 N ATOM 258 CA ASP A 17 6.930 -4.973 10.262 1.00 0.00 C ATOM 259 C ASP A 17 6.288 -3.820 9.479 1.00 0.00 C ATOM 260 O ASP A 17 6.460 -2.666 9.861 1.00 0.00 O ATOM 261 CB ASP A 17 8.389 -4.639 10.579 1.00 0.00 C ATOM 262 CG ASP A 17 9.039 -5.681 11.483 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.800 -5.608 12.709 1.00 0.00 O ATOM 264 OD2 ASP A 17 9.769 -6.539 10.939 1.00 0.00 O ATOM 0 H ASP A 17 6.978 -6.138 8.532 1.00 0.00 H new ATOM 0 HA ASP A 17 6.359 -5.090 11.183 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.953 -4.566 9.649 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.439 -3.662 11.060 1.00 0.00 H new ATOM 269 N ILE A 18 5.555 -4.102 8.396 1.00 0.00 N ATOM 270 CA ILE A 18 4.958 -3.047 7.586 1.00 0.00 C ATOM 271 C ILE A 18 3.479 -3.328 7.352 1.00 0.00 C ATOM 272 O ILE A 18 3.082 -4.464 7.097 1.00 0.00 O ATOM 273 CB ILE A 18 5.704 -2.948 6.248 1.00 0.00 C ATOM 274 CG1 ILE A 18 7.192 -2.648 6.484 1.00 0.00 C ATOM 275 CG2 ILE A 18 5.075 -1.867 5.365 1.00 0.00 C ATOM 276 CD1 ILE A 18 7.991 -2.727 5.185 1.00 0.00 C ATOM 0 H ILE A 18 5.365 -5.048 8.066 1.00 0.00 H new ATOM 0 HA ILE A 18 5.043 -2.098 8.115 1.00 0.00 H new ATOM 0 HB ILE A 18 5.622 -3.906 5.735 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.300 -1.654 6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.597 -3.357 7.206 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.615 -1.809 4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.032 -2.117 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.130 -0.904 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.039 -2.509 5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.904 -3.729 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.601 -1.999 4.473 1.00 0.00 H new ATOM 288 N THR A 19 2.659 -2.277 7.430 1.00 0.00 N ATOM 289 CA THR A 19 1.228 -2.362 7.181 1.00 0.00 C ATOM 290 C THR A 19 0.791 -1.083 6.479 1.00 0.00 C ATOM 291 O THR A 19 1.372 -0.024 6.710 1.00 0.00 O ATOM 292 CB THR A 19 0.474 -2.539 8.506 1.00 0.00 C ATOM 293 OG1 THR A 19 1.096 -3.522 9.304 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.970 -2.975 8.264 1.00 0.00 C ATOM 0 H THR A 19 2.977 -1.338 7.670 1.00 0.00 H new ATOM 0 HA THR A 19 1.002 -3.222 6.551 1.00 0.00 H new ATOM 0 HB THR A 19 0.488 -1.574 9.013 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.603 -3.621 10.145 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.480 -3.093 9.220 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.483 -2.219 7.670 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.979 -3.925 7.729 1.00 0.00 H new ATOM 302 N ILE A 20 -0.231 -1.173 5.625 1.00 0.00 N ATOM 303 CA ILE A 20 -0.681 -0.061 4.793 1.00 0.00 C ATOM 304 C ILE A 20 -2.200 0.045 4.889 1.00 0.00 C ATOM 305 O ILE A 20 -2.869 -0.964 5.089 1.00 0.00 O ATOM 306 CB ILE A 20 -0.256 -0.305 3.335 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.210 -0.738 3.193 1.00 0.00 C ATOM 308 CG2 ILE A 20 -0.496 0.957 2.502 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.210 0.347 3.590 1.00 0.00 C ATOM 0 H ILE A 20 -0.772 -2.027 5.492 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.231 0.870 5.138 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.869 -1.129 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.381 -1.621 3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.395 -1.030 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.192 0.776 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.555 1.215 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.088 1.781 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.225 -0.030 3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.067 1.223 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.052 0.623 4.633 1.00 0.00 H new ATOM 321 N THR A 21 -2.755 1.251 4.748 1.00 0.00 N ATOM 322 CA THR A 21 -4.185 1.468 4.917 1.00 0.00 C ATOM 323 C THR A 21 -4.718 2.470 3.896 1.00 0.00 C ATOM 324 O THR A 21 -3.988 3.351 3.442 1.00 0.00 O ATOM 325 CB THR A 21 -4.440 1.980 6.339 1.00 0.00 C ATOM 326 OG1 THR A 21 -3.855 1.101 7.274 1.00 0.00 O ATOM 327 CG2 THR A 21 -5.927 2.085 6.666 1.00 0.00 C ATOM 0 H THR A 21 -2.229 2.093 4.516 1.00 0.00 H new ATOM 0 HA THR A 21 -4.708 0.525 4.757 1.00 0.00 H new ATOM 0 HB THR A 21 -3.999 2.975 6.396 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.386 0.279 7.326 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.050 2.452 7.685 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.405 2.776 5.971 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.390 1.102 6.576 1.00 0.00 H new ATOM 335 N ILE A 22 -5.998 2.327 3.539 1.00 0.00 N ATOM 336 CA ILE A 22 -6.696 3.221 2.626 1.00 0.00 C ATOM 337 C ILE A 22 -7.701 4.027 3.442 1.00 0.00 C ATOM 338 O ILE A 22 -8.809 3.573 3.732 1.00 0.00 O ATOM 339 CB ILE A 22 -7.323 2.427 1.473 1.00 0.00 C ATOM 340 CG1 ILE A 22 -8.252 3.283 0.603 1.00 0.00 C ATOM 341 CG2 ILE A 22 -8.098 1.204 1.956 1.00 0.00 C ATOM 342 CD1 ILE A 22 -7.509 4.443 -0.051 1.00 0.00 C ATOM 0 H ILE A 22 -6.585 1.569 3.887 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.012 3.922 2.149 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.476 2.097 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.703 2.659 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.066 3.672 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.520 0.679 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.425 0.537 2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.902 1.522 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.203 5.024 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.080 5.082 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.712 4.054 -0.684 1.00 0.00 H new ATOM 354 N LEU A 23 -7.297 5.240 3.820 1.00 0.00 N ATOM 355 CA LEU A 23 -8.062 6.077 4.732 1.00 0.00 C ATOM 356 C LEU A 23 -9.292 6.665 4.050 1.00 0.00 C ATOM 357 O LEU A 23 -10.266 6.996 4.723 1.00 0.00 O ATOM 358 CB LEU A 23 -7.157 7.204 5.239 1.00 0.00 C ATOM 359 CG LEU A 23 -5.808 6.684 5.740 1.00 0.00 C ATOM 360 CD1 LEU A 23 -4.964 7.872 6.168 1.00 0.00 C ATOM 361 CD2 LEU A 23 -5.954 5.728 6.919 1.00 0.00 C ATOM 0 H LEU A 23 -6.428 5.667 3.499 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.409 5.465 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.992 7.923 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.661 7.737 6.045 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.337 6.131 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.997 7.520 6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.814 8.537 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.474 8.412 6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.968 5.388 7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.444 6.242 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.555 4.869 6.619 1.00 0.00 H new ATOM 373 N GLY A 24 -9.257 6.798 2.722 1.00 0.00 N ATOM 374 CA GLY A 24 -10.395 7.307 1.978 1.00 0.00 C ATOM 375 C GLY A 24 -10.030 7.714 0.556 1.00 0.00 C ATOM 376 O GLY A 24 -8.910 7.490 0.100 1.00 0.00 O ATOM 0 H GLY A 24 -8.450 6.558 2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.174 6.545 1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.812 8.167 2.502 1.00 0.00 H new ATOM 380 N VAL A 25 -10.996 8.321 -0.136 1.00 0.00 N ATOM 381 CA VAL A 25 -10.831 8.758 -1.514 1.00 0.00 C ATOM 382 C VAL A 25 -11.358 10.180 -1.667 1.00 0.00 C ATOM 383 O VAL A 25 -12.116 10.664 -0.826 1.00 0.00 O ATOM 384 CB VAL A 25 -11.559 7.800 -2.472 1.00 0.00 C ATOM 385 CG1 VAL A 25 -11.012 6.381 -2.345 1.00 0.00 C ATOM 386 CG2 VAL A 25 -13.064 7.768 -2.199 1.00 0.00 C ATOM 0 H VAL A 25 -11.918 8.522 0.251 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.771 8.747 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.386 8.174 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.543 5.723 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.949 6.378 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.152 6.027 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.545 7.081 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -13.241 7.433 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.479 8.767 -2.331 1.00 0.00 H new ATOM 396 N SER A 26 -10.952 10.851 -2.746 1.00 0.00 N ATOM 397 CA SER A 26 -11.317 12.233 -3.016 1.00 0.00 C ATOM 398 C SER A 26 -11.349 12.456 -4.525 1.00 0.00 C ATOM 399 O SER A 26 -10.650 13.323 -5.054 1.00 0.00 O ATOM 400 CB SER A 26 -10.301 13.169 -2.357 1.00 0.00 C ATOM 401 OG SER A 26 -10.454 13.146 -0.952 1.00 0.00 O ATOM 0 H SER A 26 -10.353 10.441 -3.463 1.00 0.00 H new ATOM 0 HA SER A 26 -12.304 12.445 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.289 12.865 -2.625 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.438 14.185 -2.728 1.00 0.00 H new ATOM 0 HG SER A 26 -9.798 13.747 -0.542 1.00 0.00 H new ATOM 407 N GLY A 27 -12.165 11.664 -5.226 1.00 0.00 N ATOM 408 CA GLY A 27 -12.243 11.739 -6.673 1.00 0.00 C ATOM 409 C GLY A 27 -10.996 11.112 -7.281 1.00 0.00 C ATOM 410 O GLY A 27 -10.634 9.987 -6.935 1.00 0.00 O ATOM 0 H GLY A 27 -12.779 10.965 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.134 11.220 -7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.332 12.778 -6.990 1.00 0.00 H new ATOM 414 N GLN A 28 -10.337 11.837 -8.185 1.00 0.00 N ATOM 415 CA GLN A 28 -9.098 11.381 -8.792 1.00 0.00 C ATOM 416 C GLN A 28 -7.967 11.338 -7.757 1.00 0.00 C ATOM 417 O GLN A 28 -6.903 10.783 -8.030 1.00 0.00 O ATOM 418 CB GLN A 28 -8.751 12.332 -9.949 1.00 0.00 C ATOM 419 CG GLN A 28 -7.652 11.795 -10.877 1.00 0.00 C ATOM 420 CD GLN A 28 -8.116 10.618 -11.733 1.00 0.00 C ATOM 421 OE1 GLN A 28 -9.162 10.020 -11.492 1.00 0.00 O ATOM 422 NE2 GLN A 28 -7.332 10.270 -12.748 1.00 0.00 N ATOM 0 H GLN A 28 -10.649 12.751 -8.512 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.222 10.367 -9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.650 12.521 -10.536 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.432 13.290 -9.538 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.310 12.599 -11.529 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.796 11.486 -10.277 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.469 10.784 -12.925 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.593 9.489 -13.350 1.00 0.00 H new ATOM 431 N GLN A 29 -8.191 11.915 -6.570 1.00 0.00 N ATOM 432 CA GLN A 29 -7.207 11.908 -5.491 1.00 0.00 C ATOM 433 C GLN A 29 -7.528 10.793 -4.499 1.00 0.00 C ATOM 434 O GLN A 29 -8.650 10.288 -4.456 1.00 0.00 O ATOM 435 CB GLN A 29 -7.217 13.241 -4.740 1.00 0.00 C ATOM 436 CG GLN A 29 -6.978 14.456 -5.637 1.00 0.00 C ATOM 437 CD GLN A 29 -6.873 15.716 -4.791 1.00 0.00 C ATOM 438 OE1 GLN A 29 -7.865 16.380 -4.515 1.00 0.00 O ATOM 439 NE2 GLN A 29 -5.655 16.048 -4.373 1.00 0.00 N ATOM 0 H GLN A 29 -9.058 12.398 -6.335 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.224 11.747 -5.934 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.177 13.356 -4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.451 13.217 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.063 14.318 -6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.794 14.556 -6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.854 15.469 -4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.522 16.882 -3.801 1.00 0.00 H new ATOM 448 N VAL A 30 -6.532 10.410 -3.698 1.00 0.00 N ATOM 449 CA VAL A 30 -6.637 9.315 -2.743 1.00 0.00 C ATOM 450 C VAL A 30 -5.865 9.651 -1.468 1.00 0.00 C ATOM 451 O VAL A 30 -4.837 10.328 -1.522 1.00 0.00 O ATOM 452 CB VAL A 30 -6.083 8.036 -3.387 1.00 0.00 C ATOM 453 CG1 VAL A 30 -6.067 6.879 -2.394 1.00 0.00 C ATOM 454 CG2 VAL A 30 -6.940 7.620 -4.585 1.00 0.00 C ATOM 0 H VAL A 30 -5.617 10.861 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.682 9.161 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.065 8.257 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.670 5.988 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.438 7.139 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.082 6.682 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.531 6.712 -5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.962 7.434 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.939 8.418 -5.328 1.00 0.00 H new ATOM 464 N ARG A 31 -6.371 9.175 -0.325 1.00 0.00 N ATOM 465 CA ARG A 31 -5.761 9.372 0.986 1.00 0.00 C ATOM 466 C ARG A 31 -5.377 8.006 1.545 1.00 0.00 C ATOM 467 O ARG A 31 -6.242 7.165 1.782 1.00 0.00 O ATOM 468 CB ARG A 31 -6.761 10.080 1.912 1.00 0.00 C ATOM 469 CG ARG A 31 -6.284 11.466 2.354 1.00 0.00 C ATOM 470 CD ARG A 31 -5.158 11.397 3.392 1.00 0.00 C ATOM 471 NE ARG A 31 -4.732 12.749 3.775 1.00 0.00 N ATOM 472 CZ ARG A 31 -5.428 13.564 4.574 1.00 0.00 C ATOM 473 NH1 ARG A 31 -6.561 13.176 5.147 1.00 0.00 N ATOM 474 NH2 ARG A 31 -4.994 14.797 4.810 1.00 0.00 N ATOM 0 H ARG A 31 -7.234 8.632 -0.289 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.869 9.994 0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.718 10.177 1.399 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.933 9.462 2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.937 12.022 1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.125 12.020 2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.499 10.853 4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.312 10.844 2.984 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.844 13.090 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.920 12.236 4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.072 13.818 5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.128 15.124 4.381 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.527 15.417 5.420 1.00 0.00 H new ATOM 488 N ILE A 32 -4.078 7.790 1.752 1.00 0.00 N ATOM 489 CA ILE A 32 -3.543 6.510 2.196 1.00 0.00 C ATOM 490 C ILE A 32 -2.487 6.723 3.266 1.00 0.00 C ATOM 491 O ILE A 32 -1.881 7.790 3.356 1.00 0.00 O ATOM 492 CB ILE A 32 -2.935 5.743 1.014 1.00 0.00 C ATOM 493 CG1 ILE A 32 -2.126 6.679 0.102 1.00 0.00 C ATOM 494 CG2 ILE A 32 -4.038 5.029 0.234 1.00 0.00 C ATOM 495 CD1 ILE A 32 -1.344 5.885 -0.944 1.00 0.00 C ATOM 0 H ILE A 32 -3.365 8.506 1.614 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.361 5.924 2.614 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.245 4.995 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.798 7.378 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.437 7.272 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.599 4.487 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.552 4.327 0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.751 5.763 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.781 6.572 -1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.655 5.204 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.038 5.312 -1.559 1.00 0.00 H new ATOM 507 N GLY A 33 -2.270 5.691 4.083 1.00 0.00 N ATOM 508 CA GLY A 33 -1.333 5.757 5.186 1.00 0.00 C ATOM 509 C GLY A 33 -0.397 4.562 5.180 1.00 0.00 C ATOM 510 O GLY A 33 -0.640 3.572 4.493 1.00 0.00 O ATOM 0 H GLY A 33 -2.742 4.791 3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.753 6.678 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.878 5.791 6.129 1.00 0.00 H new ATOM 514 N ILE A 34 0.675 4.669 5.965 1.00 0.00 N ATOM 515 CA ILE A 34 1.726 3.668 6.033 1.00 0.00 C ATOM 516 C ILE A 34 2.092 3.494 7.502 1.00 0.00 C ATOM 517 O ILE A 34 2.190 4.472 8.239 1.00 0.00 O ATOM 518 CB ILE A 34 2.969 4.115 5.244 1.00 0.00 C ATOM 519 CG1 ILE A 34 2.704 4.274 3.741 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.072 3.064 5.414 1.00 0.00 C ATOM 521 CD1 ILE A 34 2.222 5.682 3.382 1.00 0.00 C ATOM 0 H ILE A 34 0.835 5.468 6.579 1.00 0.00 H new ATOM 0 HA ILE A 34 1.375 2.733 5.596 1.00 0.00 H new ATOM 0 HB ILE A 34 3.260 5.088 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.617 4.053 3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.957 3.545 3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.957 3.372 4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.322 2.967 6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.722 2.104 5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.048 5.744 2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.294 5.895 3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.980 6.410 3.670 1.00 0.00 H new ATOM 533 N ASN A 35 2.292 2.242 7.918 1.00 0.00 N ATOM 534 CA ASN A 35 2.562 1.903 9.300 1.00 0.00 C ATOM 535 C ASN A 35 3.773 0.979 9.362 1.00 0.00 C ATOM 536 O ASN A 35 3.667 -0.227 9.588 1.00 0.00 O ATOM 537 CB ASN A 35 1.308 1.291 9.914 1.00 0.00 C ATOM 538 CG ASN A 35 1.318 1.360 11.435 1.00 0.00 C ATOM 539 OD1 ASN A 35 2.372 1.316 12.066 1.00 0.00 O ATOM 540 ND2 ASN A 35 0.139 1.474 12.035 1.00 0.00 N ATOM 0 H ASN A 35 2.269 1.435 7.294 1.00 0.00 H new ATOM 0 HA ASN A 35 2.808 2.789 9.885 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.429 1.812 9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.223 0.251 9.600 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.088 1.528 13.052 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.715 1.507 11.479 1.00 0.00 H new ATOM 547 N ALA A 36 4.929 1.598 9.146 1.00 0.00 N ATOM 548 CA ALA A 36 6.238 0.972 9.209 1.00 0.00 C ATOM 549 C ALA A 36 7.050 1.673 10.294 1.00 0.00 C ATOM 550 O ALA A 36 6.724 2.801 10.670 1.00 0.00 O ATOM 551 CB ALA A 36 6.914 1.123 7.846 1.00 0.00 C ATOM 0 H ALA A 36 4.978 2.590 8.913 1.00 0.00 H new ATOM 0 HA ALA A 36 6.160 -0.088 9.449 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.899 0.658 7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.306 0.638 7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.019 2.181 7.607 1.00 0.00 H new ATOM 557 N PRO A 37 8.101 1.031 10.809 1.00 0.00 N ATOM 558 CA PRO A 37 8.935 1.620 11.833 1.00 0.00 C ATOM 559 C PRO A 37 9.782 2.715 11.204 1.00 0.00 C ATOM 560 O PRO A 37 10.083 2.671 10.009 1.00 0.00 O ATOM 561 CB PRO A 37 9.797 0.470 12.352 1.00 0.00 C ATOM 562 CG PRO A 37 9.922 -0.445 11.133 1.00 0.00 C ATOM 563 CD PRO A 37 8.568 -0.290 10.452 1.00 0.00 C ATOM 0 HA PRO A 37 8.370 2.077 12.645 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.771 0.819 12.696 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.326 -0.040 13.192 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.740 -0.139 10.480 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.113 -1.479 11.421 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.659 -0.394 9.371 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.870 -1.057 10.789 1.00 0.00 H new ATOM 571 N LYS A 38 10.182 3.710 11.994 1.00 0.00 N ATOM 572 CA LYS A 38 11.034 4.779 11.494 1.00 0.00 C ATOM 573 C LYS A 38 12.449 4.258 11.264 1.00 0.00 C ATOM 574 O LYS A 38 13.328 4.998 10.826 1.00 0.00 O ATOM 575 CB LYS A 38 10.975 5.972 12.448 1.00 0.00 C ATOM 576 CG LYS A 38 9.508 6.402 12.532 1.00 0.00 C ATOM 577 CD LYS A 38 9.295 7.688 13.323 1.00 0.00 C ATOM 578 CE LYS A 38 9.998 8.868 12.651 1.00 0.00 C ATOM 579 NZ LYS A 38 9.674 10.138 13.335 1.00 0.00 N ATOM 0 H LYS A 38 9.929 3.795 12.978 1.00 0.00 H new ATOM 0 HA LYS A 38 10.674 5.129 10.526 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.354 5.698 13.433 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.597 6.789 12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.119 6.537 11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.929 5.602 12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.228 7.895 13.406 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.676 7.563 14.337 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.076 8.709 12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.697 8.927 11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.163 10.923 12.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.647 10.299 13.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.983 10.087 14.327 1.00 0.00 H new ATOM 593 N ASP A 39 12.661 2.971 11.563 1.00 0.00 N ATOM 594 CA ASP A 39 13.891 2.271 11.241 1.00 0.00 C ATOM 595 C ASP A 39 13.971 2.000 9.735 1.00 0.00 C ATOM 596 O ASP A 39 15.038 1.628 9.242 1.00 0.00 O ATOM 597 CB ASP A 39 13.947 0.955 12.021 1.00 0.00 C ATOM 598 CG ASP A 39 14.004 1.207 13.524 1.00 0.00 C ATOM 599 OD1 ASP A 39 15.117 1.485 14.022 1.00 0.00 O ATOM 600 OD2 ASP A 39 12.932 1.121 14.167 1.00 0.00 O ATOM 0 H ASP A 39 11.972 2.389 12.039 1.00 0.00 H new ATOM 0 HA ASP A 39 14.741 2.892 11.523 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.071 0.351 11.784 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.822 0.383 11.712 1.00 0.00 H new ATOM 605 N VAL A 40 12.865 2.185 8.999 1.00 0.00 N ATOM 606 CA VAL A 40 12.883 2.114 7.546 1.00 0.00 C ATOM 607 C VAL A 40 12.306 3.391 6.944 1.00 0.00 C ATOM 608 O VAL A 40 11.372 3.999 7.470 1.00 0.00 O ATOM 609 CB VAL A 40 12.147 0.872 7.033 1.00 0.00 C ATOM 610 CG1 VAL A 40 12.732 -0.398 7.651 1.00 0.00 C ATOM 611 CG2 VAL A 40 10.648 0.932 7.314 1.00 0.00 C ATOM 0 H VAL A 40 11.947 2.385 9.397 1.00 0.00 H new ATOM 0 HA VAL A 40 13.921 2.024 7.225 1.00 0.00 H new ATOM 0 HB VAL A 40 12.286 0.850 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.194 -1.268 7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.786 -0.479 7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.633 -0.354 8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.170 0.030 6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.482 1.003 8.389 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.220 1.806 6.822 1.00 0.00 H new ATOM 621 N ALA A 41 12.882 3.794 5.810 1.00 0.00 N ATOM 622 CA ALA A 41 12.495 5.006 5.115 1.00 0.00 C ATOM 623 C ALA A 41 11.113 4.846 4.487 1.00 0.00 C ATOM 624 O ALA A 41 10.751 3.758 4.043 1.00 0.00 O ATOM 625 CB ALA A 41 13.537 5.308 4.036 1.00 0.00 C ATOM 0 H ALA A 41 13.634 3.280 5.352 1.00 0.00 H new ATOM 0 HA ALA A 41 12.448 5.833 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.258 6.218 3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 41 14.513 5.444 4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 41 13.583 4.477 3.332 1.00 0.00 H new ATOM 631 N VAL A 42 10.346 5.937 4.462 1.00 0.00 N ATOM 632 CA VAL A 42 9.028 5.973 3.853 1.00 0.00 C ATOM 633 C VAL A 42 8.808 7.373 3.296 1.00 0.00 C ATOM 634 O VAL A 42 8.734 8.334 4.062 1.00 0.00 O ATOM 635 CB VAL A 42 7.955 5.663 4.905 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.567 5.725 4.277 1.00 0.00 C ATOM 637 CG2 VAL A 42 8.126 4.268 5.511 1.00 0.00 C ATOM 0 H VAL A 42 10.631 6.827 4.870 1.00 0.00 H new ATOM 0 HA VAL A 42 8.960 5.229 3.059 1.00 0.00 H new ATOM 0 HB VAL A 42 8.066 6.411 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.815 5.503 5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.394 6.723 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.499 4.993 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.344 4.094 6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.054 3.518 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.102 4.197 5.992 1.00 0.00 H new ATOM 647 N HIS A 43 8.705 7.479 1.964 1.00 0.00 N ATOM 648 CA HIS A 43 8.516 8.749 1.277 1.00 0.00 C ATOM 649 C HIS A 43 7.710 8.552 -0.010 1.00 0.00 C ATOM 650 O HIS A 43 7.522 7.428 -0.474 1.00 0.00 O ATOM 651 CB HIS A 43 9.868 9.368 0.891 1.00 0.00 C ATOM 652 CG HIS A 43 10.887 9.462 1.994 1.00 0.00 C ATOM 653 ND1 HIS A 43 11.200 10.624 2.699 1.00 0.00 N ATOM 654 CD2 HIS A 43 11.661 8.436 2.457 1.00 0.00 C ATOM 655 CE1 HIS A 43 12.154 10.265 3.576 1.00 0.00 C ATOM 656 NE2 HIS A 43 12.451 8.960 3.450 1.00 0.00 N ATOM 0 H HIS A 43 8.752 6.677 1.336 1.00 0.00 H new ATOM 0 HA HIS A 43 7.982 9.409 1.961 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.295 8.782 0.077 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.689 10.370 0.502 1.00 0.00 H new ATOM 0 HD2 HIS A 43 11.653 7.413 2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.618 10.934 4.285 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.143 8.448 3.997 1.00 0.00 H new ATOM 664 N ARG A 44 7.236 9.664 -0.576 1.00 0.00 N ATOM 665 CA ARG A 44 6.584 9.707 -1.882 1.00 0.00 C ATOM 666 C ARG A 44 7.600 9.378 -2.976 1.00 0.00 C ATOM 667 O ARG A 44 8.798 9.596 -2.795 1.00 0.00 O ATOM 668 CB ARG A 44 6.016 11.118 -2.077 1.00 0.00 C ATOM 669 CG ARG A 44 7.163 12.135 -2.076 1.00 0.00 C ATOM 670 CD ARG A 44 6.726 13.527 -1.624 1.00 0.00 C ATOM 671 NE ARG A 44 6.044 14.266 -2.688 1.00 0.00 N ATOM 672 CZ ARG A 44 5.197 15.274 -2.465 1.00 0.00 C ATOM 673 NH1 ARG A 44 4.930 15.678 -1.229 1.00 0.00 N ATOM 674 NH2 ARG A 44 4.608 15.886 -3.486 1.00 0.00 N ATOM 0 H ARG A 44 7.297 10.578 -0.128 1.00 0.00 H new ATOM 0 HA ARG A 44 5.780 8.973 -1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.467 11.174 -3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.309 11.350 -1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.957 11.778 -1.420 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.584 12.200 -3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.062 13.436 -0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.599 14.091 -1.295 1.00 0.00 H new ATOM 0 HE ARG A 44 6.226 13.996 -3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.374 15.217 -0.435 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.281 16.449 -1.074 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.802 15.586 -4.441 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.961 16.656 -3.315 1.00 0.00 H new ATOM 688 N GLU A 45 7.141 8.852 -4.115 1.00 0.00 N ATOM 689 CA GLU A 45 8.047 8.537 -5.217 1.00 0.00 C ATOM 690 C GLU A 45 8.644 9.808 -5.819 1.00 0.00 C ATOM 691 O GLU A 45 9.711 9.766 -6.430 1.00 0.00 O ATOM 692 CB GLU A 45 7.308 7.712 -6.281 1.00 0.00 C ATOM 693 CG GLU A 45 6.250 8.515 -7.049 1.00 0.00 C ATOM 694 CD GLU A 45 6.832 9.351 -8.193 1.00 0.00 C ATOM 695 OE1 GLU A 45 7.674 8.811 -8.942 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.426 10.529 -8.309 1.00 0.00 O ATOM 0 H GLU A 45 6.160 8.638 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 45 8.875 7.943 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.034 7.312 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.828 6.859 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.506 7.828 -7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.731 9.175 -6.354 1.00 0.00 H new ATOM 703 N GLU A 46 7.951 10.933 -5.643 1.00 0.00 N ATOM 704 CA GLU A 46 8.334 12.221 -6.203 1.00 0.00 C ATOM 705 C GLU A 46 9.536 12.825 -5.476 1.00 0.00 C ATOM 706 O GLU A 46 10.094 13.823 -5.933 1.00 0.00 O ATOM 707 CB GLU A 46 7.111 13.138 -6.108 1.00 0.00 C ATOM 708 CG GLU A 46 7.288 14.456 -6.860 1.00 0.00 C ATOM 709 CD GLU A 46 5.987 15.255 -6.855 1.00 0.00 C ATOM 710 OE1 GLU A 46 5.109 14.929 -6.025 1.00 0.00 O ATOM 711 OE2 GLU A 46 5.875 16.187 -7.680 1.00 0.00 O ATOM 0 H GLU A 46 7.091 10.971 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 46 8.644 12.098 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.241 12.615 -6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.905 13.350 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.083 15.041 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.595 14.257 -7.887 1.00 0.00 H new ATOM 718 N ILE A 47 9.939 12.238 -4.345 1.00 0.00 N ATOM 719 CA ILE A 47 11.037 12.756 -3.539 1.00 0.00 C ATOM 720 C ILE A 47 11.988 11.638 -3.127 1.00 0.00 C ATOM 721 O ILE A 47 13.153 11.909 -2.862 1.00 0.00 O ATOM 722 CB ILE A 47 10.456 13.505 -2.322 1.00 0.00 C ATOM 723 CG1 ILE A 47 9.953 14.884 -2.776 1.00 0.00 C ATOM 724 CG2 ILE A 47 11.459 13.661 -1.175 1.00 0.00 C ATOM 725 CD1 ILE A 47 9.727 15.830 -1.595 1.00 0.00 C ATOM 0 H ILE A 47 9.511 11.393 -3.967 1.00 0.00 H new ATOM 0 HA ILE A 47 11.626 13.458 -4.128 1.00 0.00 H new ATOM 0 HB ILE A 47 9.634 12.905 -1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.676 15.326 -3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.021 14.766 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.988 14.196 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.778 12.676 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.326 14.222 -1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.372 16.793 -1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.984 15.402 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.664 15.971 -1.057 1.00 0.00 H new ATOM 737 N TYR A 48 11.544 10.381 -3.061 1.00 0.00 N ATOM 738 CA TYR A 48 12.448 9.326 -2.636 1.00 0.00 C ATOM 739 C TYR A 48 13.612 9.207 -3.613 1.00 0.00 C ATOM 740 O TYR A 48 14.742 8.927 -3.217 1.00 0.00 O ATOM 741 CB TYR A 48 11.715 7.991 -2.560 1.00 0.00 C ATOM 742 CG TYR A 48 12.654 6.909 -2.093 1.00 0.00 C ATOM 743 CD1 TYR A 48 12.866 6.722 -0.719 1.00 0.00 C ATOM 744 CD2 TYR A 48 13.328 6.117 -3.031 1.00 0.00 C ATOM 745 CE1 TYR A 48 13.761 5.740 -0.279 1.00 0.00 C ATOM 746 CE2 TYR A 48 14.228 5.138 -2.600 1.00 0.00 C ATOM 747 CZ TYR A 48 14.440 4.936 -1.220 1.00 0.00 C ATOM 748 OH TYR A 48 15.304 3.974 -0.788 1.00 0.00 O ATOM 0 H TYR A 48 10.596 10.081 -3.289 1.00 0.00 H new ATOM 0 HA TYR A 48 12.828 9.581 -1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.870 8.070 -1.876 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.310 7.734 -3.539 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.340 7.335 -0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.153 6.263 -4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.932 5.598 0.778 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.760 4.537 -3.323 1.00 0.00 H new ATOM 0 HH TYR A 48 14.844 3.381 -0.158 1.00 0.00 H new ATOM 758 N GLN A 49 13.328 9.421 -4.897 1.00 0.00 N ATOM 759 CA GLN A 49 14.322 9.297 -5.948 1.00 0.00 C ATOM 760 C GLN A 49 15.300 10.465 -5.924 1.00 0.00 C ATOM 761 O GLN A 49 16.346 10.397 -6.564 1.00 0.00 O ATOM 762 CB GLN A 49 13.606 9.207 -7.296 1.00 0.00 C ATOM 763 CG GLN A 49 12.606 8.053 -7.249 1.00 0.00 C ATOM 764 CD GLN A 49 11.906 7.866 -8.591 1.00 0.00 C ATOM 765 OE1 GLN A 49 12.490 7.351 -9.543 1.00 0.00 O ATOM 766 NE2 GLN A 49 10.647 8.281 -8.671 1.00 0.00 N ATOM 0 H GLN A 49 12.401 9.685 -5.232 1.00 0.00 H new ATOM 0 HA GLN A 49 14.906 8.391 -5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.091 10.143 -7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.328 9.048 -8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.123 7.133 -6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.864 8.244 -6.474 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.197 8.703 -7.859 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.130 8.177 -9.544 1.00 0.00 H new ATOM 775 N ARG A 50 14.967 11.537 -5.195 1.00 0.00 N ATOM 776 CA ARG A 50 15.866 12.674 -5.036 1.00 0.00 C ATOM 777 C ARG A 50 16.698 12.505 -3.765 1.00 0.00 C ATOM 778 O ARG A 50 17.802 13.036 -3.685 1.00 0.00 O ATOM 779 CB ARG A 50 15.055 13.980 -5.042 1.00 0.00 C ATOM 780 CG ARG A 50 14.859 14.571 -3.645 1.00 0.00 C ATOM 781 CD ARG A 50 13.910 15.773 -3.691 1.00 0.00 C ATOM 782 NE ARG A 50 14.399 16.826 -4.593 1.00 0.00 N ATOM 783 CZ ARG A 50 15.492 17.571 -4.405 1.00 0.00 C ATOM 784 NH1 ARG A 50 16.248 17.433 -3.316 1.00 0.00 N ATOM 785 NH2 ARG A 50 15.838 18.472 -5.318 1.00 0.00 N ATOM 0 H ARG A 50 14.077 11.636 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 50 16.564 12.721 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 50 15.561 14.712 -5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 50 14.080 13.793 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 50 14.457 13.810 -2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 50 15.822 14.878 -3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.924 15.444 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.793 16.181 -2.687 1.00 0.00 H new ATOM 0 HE ARG A 50 13.855 17.004 -5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 50 15.997 16.747 -2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 50 17.078 18.013 -3.195 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.270 18.592 -6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.671 19.044 -5.180 1.00 0.00 H new ATOM 799 N ILE A 51 16.175 11.769 -2.778 1.00 0.00 N ATOM 800 CA ILE A 51 16.909 11.456 -1.559 1.00 0.00 C ATOM 801 C ILE A 51 18.023 10.477 -1.902 1.00 0.00 C ATOM 802 O ILE A 51 19.185 10.696 -1.565 1.00 0.00 O ATOM 803 CB ILE A 51 15.959 10.840 -0.525 1.00 0.00 C ATOM 804 CG1 ILE A 51 14.919 11.865 -0.074 1.00 0.00 C ATOM 805 CG2 ILE A 51 16.720 10.358 0.713 1.00 0.00 C ATOM 806 CD1 ILE A 51 13.824 11.199 0.758 1.00 0.00 C ATOM 0 H ILE A 51 15.234 11.377 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 51 17.337 12.364 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 51 15.471 9.992 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 51 15.403 12.646 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 51 14.477 12.348 -0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 51 16.018 9.927 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 51 17.450 9.603 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 51 17.235 11.201 1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.096 11.948 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.327 10.435 0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 51 14.267 10.738 1.641 1.00 0.00 H new ATOM 818 N GLN A 52 17.664 9.386 -2.577 1.00 0.00 N ATOM 819 CA GLN A 52 18.598 8.319 -2.914 1.00 0.00 C ATOM 820 C GLN A 52 19.548 8.726 -4.039 1.00 0.00 C ATOM 821 O GLN A 52 20.327 7.902 -4.511 1.00 0.00 O ATOM 822 CB GLN A 52 17.816 7.042 -3.233 1.00 0.00 C ATOM 823 CG GLN A 52 17.046 6.593 -1.993 1.00 0.00 C ATOM 824 CD GLN A 52 17.920 6.607 -0.744 1.00 0.00 C ATOM 825 OE1 GLN A 52 18.949 5.941 -0.684 1.00 0.00 O ATOM 826 NE2 GLN A 52 17.514 7.375 0.261 1.00 0.00 N ATOM 0 H GLN A 52 16.713 9.219 -2.906 1.00 0.00 H new ATOM 0 HA GLN A 52 19.237 8.121 -2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 52 17.126 7.222 -4.057 1.00 0.00 H new ATOM 0 HB3 GLN A 52 18.499 6.256 -3.555 1.00 0.00 H new ATOM 0 HG2 GLN A 52 16.187 7.247 -1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 52 16.656 5.587 -2.152 1.00 0.00 H new ATOM 0 HE21 GLN A 52 16.653 7.915 0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 52 18.063 7.425 1.119 1.00 0.00 H new ATOM 835 N ALA A 53 19.483 9.987 -4.469 1.00 0.00 N ATOM 836 CA ALA A 53 20.370 10.497 -5.494 1.00 0.00 C ATOM 837 C ALA A 53 21.796 10.653 -4.961 1.00 0.00 C ATOM 838 O ALA A 53 22.733 10.749 -5.750 1.00 0.00 O ATOM 839 CB ALA A 53 19.839 11.840 -5.998 1.00 0.00 C ATOM 0 H ALA A 53 18.816 10.673 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 53 20.402 9.785 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.504 12.228 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.841 11.704 -6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 53 19.793 12.547 -5.170 1.00 0.00 H new ATOM 845 N GLY A 54 21.966 10.680 -3.631 1.00 0.00 N ATOM 846 CA GLY A 54 23.284 10.787 -3.017 1.00 0.00 C ATOM 847 C GLY A 54 23.288 11.721 -1.807 1.00 0.00 C ATOM 848 O GLY A 54 24.355 12.132 -1.355 1.00 0.00 O ATOM 0 H GLY A 54 21.198 10.628 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.620 9.797 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.998 11.151 -3.756 1.00 0.00 H new ATOM 852 N LEU A 55 22.105 12.062 -1.285 1.00 0.00 N ATOM 853 CA LEU A 55 21.939 13.033 -0.216 1.00 0.00 C ATOM 854 C LEU A 55 20.900 12.551 0.796 1.00 0.00 C ATOM 855 O LEU A 55 20.475 11.398 0.756 1.00 0.00 O ATOM 856 CB LEU A 55 21.564 14.376 -0.855 1.00 0.00 C ATOM 857 CG LEU A 55 20.314 14.303 -1.741 1.00 0.00 C ATOM 858 CD1 LEU A 55 19.027 14.205 -0.920 1.00 0.00 C ATOM 859 CD2 LEU A 55 20.253 15.572 -2.582 1.00 0.00 C ATOM 0 H LEU A 55 21.224 11.659 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 55 22.866 13.156 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 55 21.399 15.111 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 55 22.403 14.732 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 55 20.387 13.407 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 55 18.170 14.156 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 55 19.057 13.307 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 55 18.936 15.082 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 55 19.371 15.543 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 55 20.197 16.441 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 55 21.147 15.642 -3.201 1.00 0.00 H new ATOM 871 N THR A 56 20.490 13.435 1.709 1.00 0.00 N ATOM 872 CA THR A 56 19.465 13.128 2.697 1.00 0.00 C ATOM 873 C THR A 56 18.529 14.321 2.882 1.00 0.00 C ATOM 874 O THR A 56 18.751 15.386 2.309 1.00 0.00 O ATOM 875 CB THR A 56 20.124 12.732 4.021 1.00 0.00 C ATOM 876 OG1 THR A 56 20.961 13.771 4.477 1.00 0.00 O ATOM 877 CG2 THR A 56 20.953 11.460 3.846 1.00 0.00 C ATOM 0 H THR A 56 20.862 14.382 1.780 1.00 0.00 H new ATOM 0 HA THR A 56 18.867 12.288 2.344 1.00 0.00 H new ATOM 0 HB THR A 56 19.337 12.550 4.753 1.00 0.00 H new ATOM 0 HG1 THR A 56 21.376 13.508 5.325 1.00 0.00 H new ATOM 0 HG21 THR A 56 21.414 11.193 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 56 20.307 10.647 3.515 1.00 0.00 H new ATOM 0 HG23 THR A 56 21.730 11.632 3.101 1.00 0.00 H new ATOM 885 N ALA A 57 17.474 14.138 3.686 1.00 0.00 N ATOM 886 CA ALA A 57 16.480 15.168 3.957 1.00 0.00 C ATOM 887 C ALA A 57 17.142 16.487 4.379 1.00 0.00 C ATOM 888 O ALA A 57 18.240 16.485 4.934 1.00 0.00 O ATOM 889 CB ALA A 57 15.546 14.648 5.049 1.00 0.00 C ATOM 0 H ALA A 57 17.290 13.259 4.169 1.00 0.00 H new ATOM 0 HA ALA A 57 15.913 15.380 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.791 15.402 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 57 15.058 13.735 4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 57 16.122 14.435 5.950 1.00 0.00 H new ATOM 895 N PRO A 58 16.473 17.619 4.121 1.00 0.00 N ATOM 896 CA PRO A 58 16.979 18.965 4.364 1.00 0.00 C ATOM 897 C PRO A 58 17.240 19.301 5.826 1.00 0.00 C ATOM 898 O PRO A 58 17.635 20.429 6.119 1.00 0.00 O ATOM 899 CB PRO A 58 15.929 19.910 3.781 1.00 0.00 C ATOM 900 CG PRO A 58 14.643 19.086 3.801 1.00 0.00 C ATOM 901 CD PRO A 58 15.146 17.669 3.544 1.00 0.00 C ATOM 0 HA PRO A 58 17.959 19.060 3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.832 20.817 4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.189 20.221 2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.127 19.165 4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.942 19.412 3.033 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.490 16.930 4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.174 17.450 2.477 1.00 0.00 H new ATOM 909 N ASP A 59 17.030 18.365 6.752 1.00 0.00 N ATOM 910 CA ASP A 59 17.141 18.708 8.161 1.00 0.00 C ATOM 911 C ASP A 59 17.439 17.518 9.072 1.00 0.00 C ATOM 912 O ASP A 59 17.927 17.711 10.185 1.00 0.00 O ATOM 913 CB ASP A 59 15.809 19.356 8.537 1.00 0.00 C ATOM 914 CG ASP A 59 14.704 18.312 8.691 1.00 0.00 C ATOM 915 OD1 ASP A 59 14.310 17.730 7.656 1.00 0.00 O ATOM 916 OD2 ASP A 59 14.264 18.098 9.844 1.00 0.00 O ATOM 0 H ASP A 59 16.789 17.393 6.557 1.00 0.00 H new ATOM 0 HA ASP A 59 17.991 19.375 8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.922 19.908 9.470 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.525 20.078 7.771 1.00 0.00 H new ATOM 1635 N MET C 1 1.836 7.146 12.656 1.00 0.00 N ATOM 1636 CA MET C 1 1.523 6.604 11.323 1.00 0.00 C ATOM 1637 C MET C 1 1.688 7.686 10.265 1.00 0.00 C ATOM 1638 O MET C 1 1.104 8.760 10.392 1.00 0.00 O ATOM 1639 CB MET C 1 0.100 6.029 11.298 1.00 0.00 C ATOM 1640 CG MET C 1 -0.095 5.148 10.066 1.00 0.00 C ATOM 1641 SD MET C 1 -1.668 4.259 10.004 1.00 0.00 S ATOM 1642 CE MET C 1 -2.772 5.661 9.730 1.00 0.00 C ATOM 0 H1 MET C 1 1.720 6.399 13.370 1.00 0.00 H new ATOM 0 H2 MET C 1 2.818 7.489 12.670 1.00 0.00 H new ATOM 0 H3 MET C 1 1.191 7.933 12.871 1.00 0.00 H new ATOM 0 HA MET C 1 2.219 5.795 11.100 1.00 0.00 H new ATOM 0 HB2 MET C 1 -0.080 5.447 12.202 1.00 0.00 H new ATOM 0 HB3 MET C 1 -0.627 6.841 11.292 1.00 0.00 H new ATOM 0 HG2 MET C 1 -0.012 5.771 9.175 1.00 0.00 H new ATOM 0 HG3 MET C 1 0.717 4.422 10.025 1.00 0.00 H new ATOM 0 HE1 MET C 1 -3.774 5.296 9.505 1.00 0.00 H new ATOM 0 HE2 MET C 1 -2.804 6.280 10.627 1.00 0.00 H new ATOM 0 HE3 MET C 1 -2.405 6.255 8.893 1.00 0.00 H new ATOM 1654 N LEU C 2 2.480 7.411 9.223 1.00 0.00 N ATOM 1655 CA LEU C 2 2.748 8.381 8.169 1.00 0.00 C ATOM 1656 C LEU C 2 1.617 8.304 7.139 1.00 0.00 C ATOM 1657 O LEU C 2 1.141 7.216 6.834 1.00 0.00 O ATOM 1658 CB LEU C 2 4.113 8.039 7.549 1.00 0.00 C ATOM 1659 CG LEU C 2 4.879 9.201 6.895 1.00 0.00 C ATOM 1660 CD1 LEU C 2 5.911 8.627 5.932 1.00 0.00 C ATOM 1661 CD2 LEU C 2 4.018 10.199 6.134 1.00 0.00 C ATOM 0 H LEU C 2 2.948 6.514 9.092 1.00 0.00 H new ATOM 0 HA LEU C 2 2.786 9.401 8.552 1.00 0.00 H new ATOM 0 HB2 LEU C 2 4.744 7.610 8.328 1.00 0.00 H new ATOM 0 HB3 LEU C 2 3.962 7.264 6.798 1.00 0.00 H new ATOM 0 HG LEU C 2 5.329 9.756 7.718 1.00 0.00 H new ATOM 0 HD11 LEU C 2 6.462 9.441 5.461 1.00 0.00 H new ATOM 0 HD12 LEU C 2 6.605 7.989 6.480 1.00 0.00 H new ATOM 0 HD13 LEU C 2 5.406 8.039 5.165 1.00 0.00 H new ATOM 0 HD21 LEU C 2 4.652 10.978 5.711 1.00 0.00 H new ATOM 0 HD22 LEU C 2 3.490 9.686 5.331 1.00 0.00 H new ATOM 0 HD23 LEU C 2 3.295 10.649 6.814 1.00 0.00 H new ATOM 1673 N ILE C 3 1.189 9.448 6.605 1.00 0.00 N ATOM 1674 CA ILE C 3 0.124 9.527 5.616 1.00 0.00 C ATOM 1675 C ILE C 3 0.557 10.406 4.456 1.00 0.00 C ATOM 1676 O ILE C 3 1.353 11.327 4.630 1.00 0.00 O ATOM 1677 CB ILE C 3 -1.143 10.071 6.289 1.00 0.00 C ATOM 1678 CG1 ILE C 3 -1.654 8.969 7.218 1.00 0.00 C ATOM 1679 CG2 ILE C 3 -2.229 10.477 5.284 1.00 0.00 C ATOM 1680 CD1 ILE C 3 -2.856 9.414 8.033 1.00 0.00 C ATOM 0 H ILE C 3 1.581 10.356 6.854 1.00 0.00 H new ATOM 0 HA ILE C 3 -0.091 8.536 5.217 1.00 0.00 H new ATOM 0 HB ILE C 3 -0.900 10.982 6.836 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -1.923 8.094 6.627 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -0.853 8.665 7.892 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -3.099 10.854 5.821 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -1.843 11.256 4.627 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -2.517 9.610 4.689 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -3.182 8.597 8.677 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -2.582 10.272 8.646 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -3.668 9.692 7.361 1.00 0.00 H new ATOM 1692 N LEU C 4 0.026 10.111 3.270 1.00 0.00 N ATOM 1693 CA LEU C 4 0.326 10.846 2.060 1.00 0.00 C ATOM 1694 C LEU C 4 -0.930 10.909 1.193 1.00 0.00 C ATOM 1695 O LEU C 4 -1.872 10.139 1.385 1.00 0.00 O ATOM 1696 CB LEU C 4 1.474 10.158 1.312 1.00 0.00 C ATOM 1697 CG LEU C 4 2.801 10.214 2.081 1.00 0.00 C ATOM 1698 CD1 LEU C 4 3.867 9.381 1.377 1.00 0.00 C ATOM 1699 CD2 LEU C 4 3.334 11.643 2.167 1.00 0.00 C ATOM 0 H LEU C 4 -0.632 9.344 3.130 1.00 0.00 H new ATOM 0 HA LEU C 4 0.638 11.862 2.303 1.00 0.00 H new ATOM 0 HB2 LEU C 4 1.209 9.117 1.128 1.00 0.00 H new ATOM 0 HB3 LEU C 4 1.603 10.631 0.339 1.00 0.00 H new ATOM 0 HG LEU C 4 2.599 9.825 3.079 1.00 0.00 H new ATOM 0 HD11 LEU C 4 4.800 9.434 1.938 1.00 0.00 H new ATOM 0 HD12 LEU C 4 3.538 8.344 1.318 1.00 0.00 H new ATOM 0 HD13 LEU C 4 4.026 9.769 0.371 1.00 0.00 H new ATOM 0 HD21 LEU C 4 4.275 11.648 2.718 1.00 0.00 H new ATOM 0 HD22 LEU C 4 3.500 12.031 1.162 1.00 0.00 H new ATOM 0 HD23 LEU C 4 2.608 12.272 2.683 1.00 0.00 H new ATOM 1711 N THR C 5 -0.929 11.837 0.239 1.00 0.00 N ATOM 1712 CA THR C 5 -2.045 12.050 -0.670 1.00 0.00 C ATOM 1713 C THR C 5 -1.500 12.051 -2.088 1.00 0.00 C ATOM 1714 O THR C 5 -0.532 12.754 -2.388 1.00 0.00 O ATOM 1715 CB THR C 5 -2.727 13.377 -0.333 1.00 0.00 C ATOM 1716 OG1 THR C 5 -3.231 13.315 0.982 1.00 0.00 O ATOM 1717 CG2 THR C 5 -3.887 13.685 -1.282 1.00 0.00 C ATOM 0 H THR C 5 -0.144 12.467 0.076 1.00 0.00 H new ATOM 0 HA THR C 5 -2.789 11.260 -0.573 1.00 0.00 H new ATOM 0 HB THR C 5 -1.982 14.166 -0.436 1.00 0.00 H new ATOM 0 HG1 THR C 5 -3.668 14.163 1.205 1.00 0.00 H new ATOM 0 HG21 THR C 5 -4.341 14.636 -1.005 1.00 0.00 H new ATOM 0 HG22 THR C 5 -3.514 13.745 -2.305 1.00 0.00 H new ATOM 0 HG23 THR C 5 -4.633 12.893 -1.214 1.00 0.00 H new ATOM 1725 N ARG C 6 -2.123 11.262 -2.962 1.00 0.00 N ATOM 1726 CA ARG C 6 -1.674 11.070 -4.335 1.00 0.00 C ATOM 1727 C ARG C 6 -2.886 10.864 -5.229 1.00 0.00 C ATOM 1728 O ARG C 6 -4.016 10.816 -4.741 1.00 0.00 O ATOM 1729 CB ARG C 6 -0.738 9.857 -4.421 1.00 0.00 C ATOM 1730 CG ARG C 6 0.534 10.038 -3.595 1.00 0.00 C ATOM 1731 CD ARG C 6 1.405 11.204 -4.081 1.00 0.00 C ATOM 1732 NE ARG C 6 2.287 10.811 -5.182 1.00 0.00 N ATOM 1733 CZ ARG C 6 3.178 11.643 -5.734 1.00 0.00 C ATOM 1734 NH1 ARG C 6 3.292 12.897 -5.304 1.00 0.00 N ATOM 1735 NH2 ARG C 6 3.959 11.220 -6.721 1.00 0.00 N ATOM 0 H ARG C 6 -2.964 10.733 -2.731 1.00 0.00 H new ATOM 0 HA ARG C 6 -1.124 11.951 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -1.268 8.969 -4.076 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -0.469 9.683 -5.463 1.00 0.00 H new ATOM 0 HG2 ARG C 6 0.263 10.205 -2.553 1.00 0.00 H new ATOM 0 HG3 ARG C 6 1.117 9.118 -3.630 1.00 0.00 H new ATOM 0 HD2 ARG C 6 0.764 12.024 -4.405 1.00 0.00 H new ATOM 0 HD3 ARG C 6 2.006 11.578 -3.252 1.00 0.00 H new ATOM 0 HE ARG C 6 2.219 9.860 -5.545 1.00 0.00 H new ATOM 0 HH11 ARG C 6 2.697 13.232 -4.547 1.00 0.00 H new ATOM 0 HH12 ARG C 6 3.974 13.523 -5.732 1.00 0.00 H new ATOM 0 HH21 ARG C 6 3.880 10.261 -7.059 1.00 0.00 H new ATOM 0 HH22 ARG C 6 4.638 11.854 -7.142 1.00 0.00 H new ATOM 1749 N LYS C 7 -2.658 10.747 -6.533 1.00 0.00 N ATOM 1750 CA LYS C 7 -3.729 10.551 -7.496 1.00 0.00 C ATOM 1751 C LYS C 7 -3.460 9.310 -8.336 1.00 0.00 C ATOM 1752 O LYS C 7 -2.348 8.783 -8.342 1.00 0.00 O ATOM 1753 CB LYS C 7 -3.872 11.781 -8.399 1.00 0.00 C ATOM 1754 CG LYS C 7 -3.838 13.093 -7.617 1.00 0.00 C ATOM 1755 CD LYS C 7 -4.362 14.210 -8.518 1.00 0.00 C ATOM 1756 CE LYS C 7 -4.008 15.585 -7.963 1.00 0.00 C ATOM 1757 NZ LYS C 7 -4.473 16.645 -8.876 1.00 0.00 N ATOM 0 H LYS C 7 -1.727 10.786 -6.948 1.00 0.00 H new ATOM 0 HA LYS C 7 -4.663 10.412 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -3.069 11.781 -9.136 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -4.810 11.715 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -4.449 13.014 -6.718 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -2.821 13.314 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -3.942 14.100 -9.518 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -5.444 14.123 -8.616 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -4.464 15.716 -6.982 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -2.929 15.662 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -4.224 17.575 -8.483 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -4.018 16.528 -9.804 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -5.505 16.581 -8.986 1.00 0.00 H new ATOM 1771 N VAL C 8 -4.492 8.856 -9.045 1.00 0.00 N ATOM 1772 CA VAL C 8 -4.416 7.684 -9.908 1.00 0.00 C ATOM 1773 C VAL C 8 -3.215 7.794 -10.844 1.00 0.00 C ATOM 1774 O VAL C 8 -3.160 8.692 -11.684 1.00 0.00 O ATOM 1775 CB VAL C 8 -5.723 7.585 -10.696 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -5.640 6.424 -11.678 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -6.901 7.370 -9.744 1.00 0.00 C ATOM 0 H VAL C 8 -5.412 9.297 -9.035 1.00 0.00 H new ATOM 0 HA VAL C 8 -4.282 6.781 -9.312 1.00 0.00 H new ATOM 0 HB VAL C 8 -5.877 8.515 -11.243 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -6.572 6.355 -12.239 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.813 6.590 -12.368 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -5.476 5.496 -11.131 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.825 7.301 -10.318 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -6.752 6.447 -9.184 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -6.966 8.209 -9.051 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.257 6.873 -10.701 1.00 0.00 N ATOM 1788 CA GLY C 9 -1.086 6.799 -11.564 1.00 0.00 C ATOM 1789 C GLY C 9 0.221 7.064 -10.815 1.00 0.00 C ATOM 1790 O GLY C 9 1.294 6.759 -11.334 1.00 0.00 O ATOM 0 H GLY C 9 -2.277 6.155 -9.977 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -1.042 5.812 -12.024 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -1.190 7.523 -12.372 1.00 0.00 H new ATOM 1794 N GLU C 10 0.144 7.629 -9.603 1.00 0.00 N ATOM 1795 CA GLU C 10 1.325 7.935 -8.809 1.00 0.00 C ATOM 1796 C GLU C 10 1.727 6.744 -7.938 1.00 0.00 C ATOM 1797 O GLU C 10 1.051 5.716 -7.925 1.00 0.00 O ATOM 1798 CB GLU C 10 1.056 9.173 -7.951 1.00 0.00 C ATOM 1799 CG GLU C 10 0.808 10.400 -8.834 1.00 0.00 C ATOM 1800 CD GLU C 10 0.696 11.686 -8.018 1.00 0.00 C ATOM 1801 OE1 GLU C 10 -0.139 11.713 -7.084 1.00 0.00 O ATOM 1802 OE2 GLU C 10 1.447 12.636 -8.333 1.00 0.00 O ATOM 0 H GLU C 10 -0.736 7.883 -9.154 1.00 0.00 H new ATOM 0 HA GLU C 10 2.158 8.142 -9.481 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.191 8.998 -7.312 1.00 0.00 H new ATOM 0 HB3 GLU C 10 1.906 9.358 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU C 10 1.621 10.498 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -0.108 10.254 -9.406 1.00 0.00 H new ATOM 1809 N SER C 11 2.838 6.886 -7.207 1.00 0.00 N ATOM 1810 CA SER C 11 3.406 5.811 -6.404 1.00 0.00 C ATOM 1811 C SER C 11 4.011 6.332 -5.101 1.00 0.00 C ATOM 1812 O SER C 11 4.178 7.538 -4.918 1.00 0.00 O ATOM 1813 CB SER C 11 4.487 5.086 -7.212 1.00 0.00 C ATOM 1814 OG SER C 11 3.935 4.513 -8.378 1.00 0.00 O ATOM 0 H SER C 11 3.367 7.757 -7.159 1.00 0.00 H new ATOM 0 HA SER C 11 2.599 5.124 -6.148 1.00 0.00 H new ATOM 0 HB2 SER C 11 5.277 5.786 -7.483 1.00 0.00 H new ATOM 0 HB3 SER C 11 4.946 4.309 -6.601 1.00 0.00 H new ATOM 0 HG SER C 11 4.639 4.055 -8.883 1.00 0.00 H new ATOM 1820 N ILE C 12 4.340 5.404 -4.199 1.00 0.00 N ATOM 1821 CA ILE C 12 4.945 5.649 -2.894 1.00 0.00 C ATOM 1822 C ILE C 12 6.076 4.636 -2.725 1.00 0.00 C ATOM 1823 O ILE C 12 6.126 3.648 -3.452 1.00 0.00 O ATOM 1824 CB ILE C 12 3.878 5.490 -1.793 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.690 6.443 -1.982 1.00 0.00 C ATOM 1826 CG2 ILE C 12 4.476 5.713 -0.398 1.00 0.00 C ATOM 1827 CD1 ILE C 12 3.079 7.917 -1.854 1.00 0.00 C ATOM 0 H ILE C 12 4.182 4.411 -4.371 1.00 0.00 H new ATOM 0 HA ILE C 12 5.342 6.661 -2.819 1.00 0.00 H new ATOM 0 HB ILE C 12 3.515 4.466 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.248 6.274 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.923 6.210 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE C 12 3.697 5.594 0.355 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.267 4.984 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE C 12 4.889 6.720 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE C 12 2.196 8.540 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE C 12 3.494 8.099 -0.863 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.824 8.164 -2.610 1.00 0.00 H new ATOM 1839 N ASN C 13 6.989 4.857 -1.777 1.00 0.00 N ATOM 1840 CA ASN C 13 8.144 3.988 -1.619 1.00 0.00 C ATOM 1841 C ASN C 13 8.435 3.724 -0.143 1.00 0.00 C ATOM 1842 O ASN C 13 8.195 4.579 0.707 1.00 0.00 O ATOM 1843 CB ASN C 13 9.342 4.641 -2.315 1.00 0.00 C ATOM 1844 CG ASN C 13 10.530 3.692 -2.405 1.00 0.00 C ATOM 1845 OD1 ASN C 13 11.313 3.578 -1.470 1.00 0.00 O ATOM 1846 ND2 ASN C 13 10.662 3.009 -3.536 1.00 0.00 N ATOM 0 H ASN C 13 6.946 5.629 -1.112 1.00 0.00 H new ATOM 0 HA ASN C 13 7.941 3.020 -2.078 1.00 0.00 H new ATOM 0 HB2 ASN C 13 9.052 4.957 -3.317 1.00 0.00 H new ATOM 0 HB3 ASN C 13 9.634 5.539 -1.770 1.00 0.00 H new ATOM 0 HD21 ASN C 13 11.439 2.358 -3.651 1.00 0.00 H new ATOM 0 HD22 ASN C 13 9.986 3.135 -4.290 1.00 0.00 H new ATOM 1853 N ILE C 14 8.955 2.528 0.147 1.00 0.00 N ATOM 1854 CA ILE C 14 9.268 2.092 1.500 1.00 0.00 C ATOM 1855 C ILE C 14 10.578 1.305 1.499 1.00 0.00 C ATOM 1856 O ILE C 14 10.893 0.605 0.534 1.00 0.00 O ATOM 1857 CB ILE C 14 8.125 1.219 2.046 1.00 0.00 C ATOM 1858 CG1 ILE C 14 6.812 2.013 2.066 1.00 0.00 C ATOM 1859 CG2 ILE C 14 8.474 0.716 3.451 1.00 0.00 C ATOM 1860 CD1 ILE C 14 5.627 1.177 2.555 1.00 0.00 C ATOM 0 H ILE C 14 9.171 1.830 -0.565 1.00 0.00 H new ATOM 0 HA ILE C 14 9.380 2.966 2.142 1.00 0.00 H new ATOM 0 HB ILE C 14 7.994 0.357 1.391 1.00 0.00 H new ATOM 0 HG12 ILE C 14 6.928 2.884 2.711 1.00 0.00 H new ATOM 0 HG13 ILE C 14 6.601 2.384 1.063 1.00 0.00 H new ATOM 0 HG21 ILE C 14 7.659 0.099 3.829 1.00 0.00 H new ATOM 0 HG22 ILE C 14 9.388 0.124 3.409 1.00 0.00 H new ATOM 0 HG23 ILE C 14 8.623 1.567 4.115 1.00 0.00 H new ATOM 0 HD11 ILE C 14 4.724 1.787 2.549 1.00 0.00 H new ATOM 0 HD12 ILE C 14 5.490 0.320 1.896 1.00 0.00 H new ATOM 0 HD13 ILE C 14 5.822 0.827 3.569 1.00 0.00 H new ATOM 1872 N GLY C 15 11.347 1.415 2.586 1.00 0.00 N ATOM 1873 CA GLY C 15 12.609 0.709 2.710 1.00 0.00 C ATOM 1874 C GLY C 15 13.535 1.072 1.552 1.00 0.00 C ATOM 1875 O GLY C 15 13.636 2.236 1.172 1.00 0.00 O ATOM 0 H GLY C 15 11.109 1.992 3.393 1.00 0.00 H new ATOM 0 HA2 GLY C 15 13.084 0.963 3.658 1.00 0.00 H new ATOM 0 HA3 GLY C 15 12.432 -0.367 2.720 1.00 0.00 H new ATOM 1879 N ASP C 16 14.208 0.063 1.002 1.00 0.00 N ATOM 1880 CA ASP C 16 15.068 0.217 -0.161 1.00 0.00 C ATOM 1881 C ASP C 16 14.732 -0.844 -1.211 1.00 0.00 C ATOM 1882 O ASP C 16 15.420 -0.972 -2.223 1.00 0.00 O ATOM 1883 CB ASP C 16 16.530 0.147 0.287 1.00 0.00 C ATOM 1884 CG ASP C 16 17.494 0.477 -0.849 1.00 0.00 C ATOM 1885 OD1 ASP C 16 17.289 1.525 -1.503 1.00 0.00 O ATOM 1886 OD2 ASP C 16 18.434 -0.324 -1.061 1.00 0.00 O ATOM 0 H ASP C 16 14.169 -0.892 1.358 1.00 0.00 H new ATOM 0 HA ASP C 16 14.902 1.188 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP C 16 16.690 0.842 1.111 1.00 0.00 H new ATOM 0 HB3 ASP C 16 16.745 -0.852 0.666 1.00 0.00 H new ATOM 1891 N ASP C 17 13.664 -1.614 -0.972 1.00 0.00 N ATOM 1892 CA ASP C 17 13.276 -2.728 -1.822 1.00 0.00 C ATOM 1893 C ASP C 17 11.755 -2.837 -1.965 1.00 0.00 C ATOM 1894 O ASP C 17 11.267 -3.852 -2.453 1.00 0.00 O ATOM 1895 CB ASP C 17 13.839 -4.028 -1.240 1.00 0.00 C ATOM 1896 CG ASP C 17 15.365 -4.031 -1.219 1.00 0.00 C ATOM 1897 OD1 ASP C 17 15.955 -4.318 -2.285 1.00 0.00 O ATOM 1898 OD2 ASP C 17 15.931 -3.747 -0.140 1.00 0.00 O ATOM 0 H ASP C 17 13.044 -1.474 -0.174 1.00 0.00 H new ATOM 0 HA ASP C 17 13.685 -2.552 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP C 17 13.462 -4.165 -0.226 1.00 0.00 H new ATOM 0 HB3 ASP C 17 13.483 -4.873 -1.829 1.00 0.00 H new ATOM 1903 N ILE C 18 10.993 -1.820 -1.544 1.00 0.00 N ATOM 1904 CA ILE C 18 9.538 -1.873 -1.629 1.00 0.00 C ATOM 1905 C ILE C 18 9.003 -0.591 -2.256 1.00 0.00 C ATOM 1906 O ILE C 18 9.454 0.506 -1.942 1.00 0.00 O ATOM 1907 CB ILE C 18 8.950 -2.070 -0.221 1.00 0.00 C ATOM 1908 CG1 ILE C 18 9.470 -3.374 0.405 1.00 0.00 C ATOM 1909 CG2 ILE C 18 7.414 -2.076 -0.284 1.00 0.00 C ATOM 1910 CD1 ILE C 18 9.031 -3.502 1.862 1.00 0.00 C ATOM 0 H ILE C 18 11.362 -0.957 -1.144 1.00 0.00 H new ATOM 0 HA ILE C 18 9.242 -2.712 -2.258 1.00 0.00 H new ATOM 0 HB ILE C 18 9.270 -1.239 0.408 1.00 0.00 H new ATOM 0 HG12 ILE C 18 9.100 -4.226 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE C 18 10.558 -3.399 0.347 1.00 0.00 H new ATOM 0 HG21 ILE C 18 7.009 -2.216 0.718 1.00 0.00 H new ATOM 0 HG22 ILE C 18 7.063 -1.126 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE C 18 7.079 -2.890 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE C 18 9.414 -4.434 2.277 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.423 -2.662 2.435 1.00 0.00 H new ATOM 0 HD13 ILE C 18 7.942 -3.502 1.915 1.00 0.00 H new ATOM 1922 N THR C 19 8.023 -0.746 -3.151 1.00 0.00 N ATOM 1923 CA THR C 19 7.365 0.381 -3.805 1.00 0.00 C ATOM 1924 C THR C 19 5.894 0.039 -3.984 1.00 0.00 C ATOM 1925 O THR C 19 5.548 -1.130 -4.128 1.00 0.00 O ATOM 1926 CB THR C 19 8.029 0.659 -5.159 1.00 0.00 C ATOM 1927 OG1 THR C 19 9.435 0.645 -5.037 1.00 0.00 O ATOM 1928 CG2 THR C 19 7.627 2.026 -5.701 1.00 0.00 C ATOM 0 H THR C 19 7.666 -1.657 -3.440 1.00 0.00 H new ATOM 0 HA THR C 19 7.457 1.280 -3.196 1.00 0.00 H new ATOM 0 HB THR C 19 7.697 -0.124 -5.840 1.00 0.00 H new ATOM 0 HG1 THR C 19 9.841 0.823 -5.911 1.00 0.00 H new ATOM 0 HG21 THR C 19 8.114 2.194 -6.662 1.00 0.00 H new ATOM 0 HG22 THR C 19 6.545 2.062 -5.831 1.00 0.00 H new ATOM 0 HG23 THR C 19 7.934 2.801 -4.998 1.00 0.00 H new ATOM 1936 N ILE C 20 5.026 1.053 -3.975 1.00 0.00 N ATOM 1937 CA ILE C 20 3.579 0.868 -4.011 1.00 0.00 C ATOM 1938 C ILE C 20 2.974 1.841 -5.020 1.00 0.00 C ATOM 1939 O ILE C 20 3.540 2.909 -5.244 1.00 0.00 O ATOM 1940 CB ILE C 20 2.993 1.120 -2.611 1.00 0.00 C ATOM 1941 CG1 ILE C 20 3.783 0.426 -1.492 1.00 0.00 C ATOM 1942 CG2 ILE C 20 1.535 0.657 -2.567 1.00 0.00 C ATOM 1943 CD1 ILE C 20 3.676 -1.101 -1.518 1.00 0.00 C ATOM 0 H ILE C 20 5.312 2.031 -3.942 1.00 0.00 H new ATOM 0 HA ILE C 20 3.343 -0.153 -4.312 1.00 0.00 H new ATOM 0 HB ILE C 20 3.060 2.193 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE C 20 4.833 0.709 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE C 20 3.427 0.790 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE C 20 1.126 0.838 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.955 1.211 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE C 20 1.485 -0.408 -2.792 1.00 0.00 H new ATOM 0 HD11 ILE C 20 4.260 -1.521 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE C 20 2.632 -1.395 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE C 20 4.060 -1.477 -2.466 1.00 0.00 H new ATOM 1955 N THR C 21 1.838 1.489 -5.631 1.00 0.00 N ATOM 1956 CA THR C 21 1.234 2.302 -6.685 1.00 0.00 C ATOM 1957 C THR C 21 -0.285 2.312 -6.554 1.00 0.00 C ATOM 1958 O THR C 21 -0.876 1.358 -6.049 1.00 0.00 O ATOM 1959 CB THR C 21 1.645 1.724 -8.044 1.00 0.00 C ATOM 1960 OG1 THR C 21 3.051 1.648 -8.126 1.00 0.00 O ATOM 1961 CG2 THR C 21 1.151 2.580 -9.210 1.00 0.00 C ATOM 0 H THR C 21 1.317 0.640 -5.410 1.00 0.00 H new ATOM 0 HA THR C 21 1.584 3.331 -6.597 1.00 0.00 H new ATOM 0 HB THR C 21 1.191 0.736 -8.117 1.00 0.00 H new ATOM 0 HG1 THR C 21 3.422 2.549 -8.229 1.00 0.00 H new ATOM 0 HG21 THR C 21 1.467 2.130 -10.151 1.00 0.00 H new ATOM 0 HG22 THR C 21 0.063 2.639 -9.183 1.00 0.00 H new ATOM 0 HG23 THR C 21 1.571 3.583 -9.129 1.00 0.00 H new ATOM 1969 N ILE C 22 -0.924 3.396 -7.010 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.375 3.545 -7.007 1.00 0.00 C ATOM 1971 C ILE C 22 -2.865 3.480 -8.450 1.00 0.00 C ATOM 1972 O ILE C 22 -2.936 4.491 -9.148 1.00 0.00 O ATOM 1973 CB ILE C 22 -2.775 4.828 -6.251 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -4.265 5.154 -6.376 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -1.968 6.047 -6.704 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -5.132 4.049 -5.774 1.00 0.00 C ATOM 0 H ILE C 22 -0.435 4.204 -7.396 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.864 2.734 -6.467 1.00 0.00 H new ATOM 0 HB ILE C 22 -2.550 4.614 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -4.476 6.098 -5.873 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.522 5.288 -7.427 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -2.288 6.924 -6.142 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.908 5.868 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -2.133 6.218 -7.768 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -6.184 4.314 -5.880 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -4.939 3.111 -6.295 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -4.892 3.933 -4.717 1.00 0.00 H new ATOM 1988 N LEU C 23 -3.206 2.269 -8.902 1.00 0.00 N ATOM 1989 CA LEU C 23 -3.584 2.026 -10.288 1.00 0.00 C ATOM 1990 C LEU C 23 -4.909 2.699 -10.641 1.00 0.00 C ATOM 1991 O LEU C 23 -5.124 3.062 -11.792 1.00 0.00 O ATOM 1992 CB LEU C 23 -3.714 0.523 -10.537 1.00 0.00 C ATOM 1993 CG LEU C 23 -2.422 -0.258 -10.293 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -2.664 -1.694 -10.742 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -1.249 0.342 -11.054 1.00 0.00 C ATOM 0 H LEU C 23 -3.226 1.435 -8.315 1.00 0.00 H new ATOM 0 HA LEU C 23 -2.802 2.450 -10.917 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -4.496 0.124 -9.891 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -4.036 0.361 -11.566 1.00 0.00 H new ATOM 0 HG LEU C 23 -2.164 -0.217 -9.235 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -1.760 -2.282 -10.582 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.483 -2.123 -10.165 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -2.922 -1.706 -11.801 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -0.350 -0.241 -10.855 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -1.462 0.326 -12.123 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -1.094 1.371 -10.730 1.00 0.00 H new ATOM 2007 N GLY C 24 -5.796 2.865 -9.656 1.00 0.00 N ATOM 2008 CA GLY C 24 -7.052 3.559 -9.889 1.00 0.00 C ATOM 2009 C GLY C 24 -8.016 3.466 -8.708 1.00 0.00 C ATOM 2010 O GLY C 24 -7.673 2.956 -7.645 1.00 0.00 O ATOM 0 H GLY C 24 -5.664 2.530 -8.702 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -6.847 4.608 -10.101 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -7.531 3.143 -10.775 1.00 0.00 H new ATOM 2014 N VAL C 25 -9.233 3.971 -8.916 1.00 0.00 N ATOM 2015 CA VAL C 25 -10.278 4.011 -7.903 1.00 0.00 C ATOM 2016 C VAL C 25 -11.623 3.659 -8.542 1.00 0.00 C ATOM 2017 O VAL C 25 -11.818 3.858 -9.739 1.00 0.00 O ATOM 2018 CB VAL C 25 -10.291 5.408 -7.260 1.00 0.00 C ATOM 2019 CG1 VAL C 25 -10.598 6.497 -8.289 1.00 0.00 C ATOM 2020 CG2 VAL C 25 -11.313 5.494 -6.129 1.00 0.00 C ATOM 0 H VAL C 25 -9.521 4.369 -9.810 1.00 0.00 H new ATOM 0 HA VAL C 25 -10.087 3.278 -7.120 1.00 0.00 H new ATOM 0 HB VAL C 25 -9.292 5.570 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -10.599 7.471 -7.799 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -9.838 6.484 -9.070 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -11.577 6.313 -8.732 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -11.295 6.495 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -12.308 5.286 -6.521 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -11.066 4.763 -5.359 1.00 0.00 H new ATOM 2030 N SER C 26 -12.544 3.130 -7.734 1.00 0.00 N ATOM 2031 CA SER C 26 -13.836 2.637 -8.192 1.00 0.00 C ATOM 2032 C SER C 26 -14.884 2.885 -7.110 1.00 0.00 C ATOM 2033 O SER C 26 -15.477 1.947 -6.583 1.00 0.00 O ATOM 2034 CB SER C 26 -13.739 1.146 -8.524 1.00 0.00 C ATOM 2035 OG SER C 26 -12.798 0.930 -9.552 1.00 0.00 O ATOM 0 H SER C 26 -12.407 3.032 -6.728 1.00 0.00 H new ATOM 0 HA SER C 26 -14.132 3.168 -9.097 1.00 0.00 H new ATOM 0 HB2 SER C 26 -13.449 0.587 -7.634 1.00 0.00 H new ATOM 0 HB3 SER C 26 -14.715 0.771 -8.832 1.00 0.00 H new ATOM 0 HG SER C 26 -12.746 -0.028 -9.752 1.00 0.00 H new ATOM 2041 N GLY C 27 -15.114 4.157 -6.774 1.00 0.00 N ATOM 2042 CA GLY C 27 -16.056 4.504 -5.721 1.00 0.00 C ATOM 2043 C GLY C 27 -15.425 4.205 -4.371 1.00 0.00 C ATOM 2044 O GLY C 27 -14.289 4.608 -4.107 1.00 0.00 O ATOM 0 H GLY C 27 -14.660 4.956 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -16.321 5.559 -5.787 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -16.978 3.935 -5.839 1.00 0.00 H new ATOM 2048 N GLN C 28 -16.150 3.492 -3.505 1.00 0.00 N ATOM 2049 CA GLN C 28 -15.622 3.089 -2.213 1.00 0.00 C ATOM 2050 C GLN C 28 -14.538 2.019 -2.373 1.00 0.00 C ATOM 2051 O GLN C 28 -13.866 1.683 -1.398 1.00 0.00 O ATOM 2052 CB GLN C 28 -16.783 2.596 -1.338 1.00 0.00 C ATOM 2053 CG GLN C 28 -16.353 2.420 0.121 1.00 0.00 C ATOM 2054 CD GLN C 28 -17.529 2.061 1.024 1.00 0.00 C ATOM 2055 OE1 GLN C 28 -18.685 2.090 0.617 1.00 0.00 O ATOM 2056 NE2 GLN C 28 -17.237 1.718 2.278 1.00 0.00 N ATOM 0 H GLN C 28 -17.106 3.185 -3.682 1.00 0.00 H new ATOM 0 HA GLN C 28 -15.149 3.942 -1.726 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -17.607 3.307 -1.392 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -17.154 1.647 -1.726 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -15.596 1.639 0.184 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -15.891 3.341 0.476 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -16.266 1.702 2.590 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -17.985 1.471 2.926 1.00 0.00 H new ATOM 2065 N GLN C 29 -14.353 1.482 -3.585 1.00 0.00 N ATOM 2066 CA GLN C 29 -13.305 0.504 -3.844 1.00 0.00 C ATOM 2067 C GLN C 29 -12.090 1.192 -4.463 1.00 0.00 C ATOM 2068 O GLN C 29 -12.188 2.294 -5.000 1.00 0.00 O ATOM 2069 CB GLN C 29 -13.801 -0.608 -4.777 1.00 0.00 C ATOM 2070 CG GLN C 29 -15.003 -1.352 -4.199 1.00 0.00 C ATOM 2071 CD GLN C 29 -15.412 -2.512 -5.096 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -16.529 -2.553 -5.599 1.00 0.00 O ATOM 2073 NE2 GLN C 29 -14.512 -3.469 -5.309 1.00 0.00 N ATOM 0 H GLN C 29 -14.921 1.713 -4.400 1.00 0.00 H new ATOM 0 HA GLN C 29 -13.024 0.052 -2.893 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -14.072 -0.177 -5.741 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -12.992 -1.315 -4.960 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -14.760 -1.726 -3.204 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -15.840 -0.664 -4.085 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -13.590 -3.408 -4.877 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.744 -4.264 -5.905 1.00 0.00 H new ATOM 2082 N VAL C 30 -10.941 0.521 -4.379 1.00 0.00 N ATOM 2083 CA VAL C 30 -9.652 1.059 -4.793 1.00 0.00 C ATOM 2084 C VAL C 30 -8.794 -0.055 -5.388 1.00 0.00 C ATOM 2085 O VAL C 30 -8.904 -1.207 -4.973 1.00 0.00 O ATOM 2086 CB VAL C 30 -8.966 1.676 -3.567 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -7.527 2.063 -3.878 1.00 0.00 C ATOM 2088 CG2 VAL C 30 -9.709 2.935 -3.113 1.00 0.00 C ATOM 0 H VAL C 30 -10.883 -0.430 -4.014 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.789 1.825 -5.556 1.00 0.00 H new ATOM 0 HB VAL C 30 -8.980 0.923 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -7.067 2.497 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -6.969 1.177 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -7.513 2.793 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.208 3.359 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -9.713 3.666 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.735 2.677 -2.852 1.00 0.00 H new ATOM 2098 N ARG C 31 -7.942 0.292 -6.355 1.00 0.00 N ATOM 2099 CA ARG C 31 -7.058 -0.647 -7.046 1.00 0.00 C ATOM 2100 C ARG C 31 -5.620 -0.174 -6.869 1.00 0.00 C ATOM 2101 O ARG C 31 -5.255 0.913 -7.315 1.00 0.00 O ATOM 2102 CB ARG C 31 -7.440 -0.697 -8.530 1.00 0.00 C ATOM 2103 CG ARG C 31 -7.840 -2.100 -9.003 1.00 0.00 C ATOM 2104 CD ARG C 31 -6.668 -3.089 -9.027 1.00 0.00 C ATOM 2105 NE ARG C 31 -7.070 -4.346 -9.668 1.00 0.00 N ATOM 2106 CZ ARG C 31 -6.966 -4.596 -10.979 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -6.383 -3.718 -11.797 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -7.441 -5.731 -11.481 1.00 0.00 N ATOM 0 H ARG C 31 -7.846 1.252 -6.685 1.00 0.00 H new ATOM 0 HA ARG C 31 -7.156 -1.650 -6.632 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -8.267 -0.010 -8.709 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.599 -0.345 -9.127 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.620 -2.488 -8.348 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -8.268 -2.030 -10.003 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -5.827 -2.652 -9.565 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -6.329 -3.285 -8.010 1.00 0.00 H new ATOM 0 HE ARG C 31 -7.455 -5.080 -9.074 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -6.010 -2.844 -11.425 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -6.310 -3.920 -12.794 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -7.886 -6.413 -10.867 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -7.361 -5.920 -12.480 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.799 -0.996 -6.218 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.423 -0.648 -5.894 1.00 0.00 C ATOM 2124 C ILE C 32 -2.481 -1.800 -6.223 1.00 0.00 C ATOM 2125 O ILE C 32 -2.891 -2.957 -6.276 1.00 0.00 O ATOM 2126 CB ILE C 32 -3.305 -0.291 -4.403 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -3.973 -1.366 -3.532 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -3.911 1.088 -4.151 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -3.825 -1.058 -2.046 1.00 0.00 C ATOM 0 H ILE C 32 -5.074 -1.926 -5.900 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.140 0.216 -6.496 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.251 -0.257 -4.127 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.031 -1.435 -3.786 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -3.529 -2.338 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -3.825 1.336 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.379 1.833 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -4.963 1.081 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -4.310 -1.840 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -2.767 -1.015 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.292 -0.098 -1.825 1.00 0.00 H new ATOM 2141 N GLY C 33 -1.211 -1.462 -6.441 1.00 0.00 N ATOM 2142 CA GLY C 33 -0.189 -2.437 -6.776 1.00 0.00 C ATOM 2143 C GLY C 33 0.963 -2.346 -5.791 1.00 0.00 C ATOM 2144 O GLY C 33 1.110 -1.347 -5.088 1.00 0.00 O ATOM 0 H GLY C 33 -0.867 -0.503 -6.389 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -0.614 -3.441 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY C 33 0.174 -2.262 -7.789 1.00 0.00 H new ATOM 2148 N ILE C 34 1.776 -3.400 -5.751 1.00 0.00 N ATOM 2149 CA ILE C 34 2.875 -3.526 -4.810 1.00 0.00 C ATOM 2150 C ILE C 34 4.068 -4.097 -5.555 1.00 0.00 C ATOM 2151 O ILE C 34 3.916 -4.999 -6.378 1.00 0.00 O ATOM 2152 CB ILE C 34 2.469 -4.484 -3.681 1.00 0.00 C ATOM 2153 CG1 ILE C 34 1.267 -3.920 -2.920 1.00 0.00 C ATOM 2154 CG2 ILE C 34 3.648 -4.708 -2.729 1.00 0.00 C ATOM 2155 CD1 ILE C 34 0.707 -4.946 -1.939 1.00 0.00 C ATOM 0 H ILE C 34 1.685 -4.197 -6.381 1.00 0.00 H new ATOM 0 HA ILE C 34 3.125 -2.555 -4.381 1.00 0.00 H new ATOM 0 HB ILE C 34 2.187 -5.443 -4.116 1.00 0.00 H new ATOM 0 HG12 ILE C 34 1.564 -3.021 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE C 34 0.491 -3.626 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE C 34 3.348 -5.389 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE C 34 4.484 -5.140 -3.280 1.00 0.00 H new ATOM 0 HG23 ILE C 34 3.952 -3.755 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -0.146 -4.518 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE C 34 0.388 -5.834 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE C 34 1.478 -5.219 -1.219 1.00 0.00 H new ATOM 2167 N ASN C 35 5.255 -3.577 -5.264 1.00 0.00 N ATOM 2168 CA ASN C 35 6.472 -3.982 -5.935 1.00 0.00 C ATOM 2169 C ASN C 35 7.555 -4.237 -4.891 1.00 0.00 C ATOM 2170 O ASN C 35 8.491 -3.453 -4.712 1.00 0.00 O ATOM 2171 CB ASN C 35 6.857 -2.935 -6.972 1.00 0.00 C ATOM 2172 CG ASN C 35 7.728 -3.520 -8.073 1.00 0.00 C ATOM 2173 OD1 ASN C 35 8.655 -4.285 -7.816 1.00 0.00 O ATOM 2174 ND2 ASN C 35 7.430 -3.162 -9.318 1.00 0.00 N ATOM 0 H ASN C 35 5.395 -2.860 -4.552 1.00 0.00 H new ATOM 0 HA ASN C 35 6.330 -4.915 -6.480 1.00 0.00 H new ATOM 0 HB2 ASN C 35 5.954 -2.510 -7.411 1.00 0.00 H new ATOM 0 HB3 ASN C 35 7.389 -2.119 -6.483 1.00 0.00 H new ATOM 0 HD21 ASN C 35 7.978 -3.525 -10.098 1.00 0.00 H new ATOM 0 HD22 ASN C 35 6.653 -2.525 -9.493 1.00 0.00 H new ATOM 2181 N ALA C 36 7.385 -5.365 -4.213 1.00 0.00 N ATOM 2182 CA ALA C 36 8.318 -5.903 -3.238 1.00 0.00 C ATOM 2183 C ALA C 36 8.802 -7.259 -3.741 1.00 0.00 C ATOM 2184 O ALA C 36 8.130 -7.882 -4.566 1.00 0.00 O ATOM 2185 CB ALA C 36 7.595 -6.045 -1.899 1.00 0.00 C ATOM 0 H ALA C 36 6.559 -5.952 -4.334 1.00 0.00 H new ATOM 0 HA ALA C 36 9.176 -5.245 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA C 36 8.282 -6.448 -1.155 1.00 0.00 H new ATOM 0 HB2 ALA C 36 7.239 -5.068 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA C 36 6.747 -6.720 -2.013 1.00 0.00 H new ATOM 2191 N PRO C 37 9.955 -7.735 -3.264 1.00 0.00 N ATOM 2192 CA PRO C 37 10.498 -9.009 -3.681 1.00 0.00 C ATOM 2193 C PRO C 37 9.685 -10.124 -3.044 1.00 0.00 C ATOM 2194 O PRO C 37 9.102 -9.943 -1.976 1.00 0.00 O ATOM 2195 CB PRO C 37 11.941 -9.004 -3.171 1.00 0.00 C ATOM 2196 CG PRO C 37 11.852 -8.139 -1.913 1.00 0.00 C ATOM 2197 CD PRO C 37 10.814 -7.091 -2.295 1.00 0.00 C ATOM 0 HA PRO C 37 10.464 -9.165 -4.759 1.00 0.00 H new ATOM 0 HB2 PRO C 37 12.294 -10.010 -2.946 1.00 0.00 H new ATOM 0 HB3 PRO C 37 12.628 -8.582 -3.905 1.00 0.00 H new ATOM 0 HG2 PRO C 37 11.540 -8.719 -1.045 1.00 0.00 H new ATOM 0 HG3 PRO C 37 12.812 -7.686 -1.665 1.00 0.00 H new ATOM 0 HD2 PRO C 37 10.247 -6.764 -1.423 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.288 -6.205 -2.718 1.00 0.00 H new ATOM 2205 N LYS C 38 9.641 -11.286 -3.694 1.00 0.00 N ATOM 2206 CA LYS C 38 8.935 -12.435 -3.143 1.00 0.00 C ATOM 2207 C LYS C 38 9.678 -12.989 -1.931 1.00 0.00 C ATOM 2208 O LYS C 38 9.219 -13.931 -1.288 1.00 0.00 O ATOM 2209 CB LYS C 38 8.738 -13.484 -4.237 1.00 0.00 C ATOM 2210 CG LYS C 38 7.966 -12.822 -5.380 1.00 0.00 C ATOM 2211 CD LYS C 38 7.581 -13.811 -6.475 1.00 0.00 C ATOM 2212 CE LYS C 38 6.611 -14.863 -5.937 1.00 0.00 C ATOM 2213 NZ LYS C 38 6.113 -15.733 -7.022 1.00 0.00 N ATOM 0 H LYS C 38 10.084 -11.454 -4.597 1.00 0.00 H new ATOM 0 HA LYS C 38 7.949 -12.130 -2.792 1.00 0.00 H new ATOM 0 HB2 LYS C 38 9.700 -13.855 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS C 38 8.188 -14.342 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS C 38 7.064 -12.356 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS C 38 8.573 -12.026 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS C 38 7.122 -13.278 -7.308 1.00 0.00 H new ATOM 0 HD3 LYS C 38 8.476 -14.298 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS C 38 7.110 -15.469 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS C 38 5.771 -14.371 -5.447 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 5.457 -16.437 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 5.617 -15.155 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 6.914 -16.220 -7.472 1.00 0.00 H new ATOM 2227 N ASP C 39 10.833 -12.393 -1.624 1.00 0.00 N ATOM 2228 CA ASP C 39 11.592 -12.686 -0.424 1.00 0.00 C ATOM 2229 C ASP C 39 10.876 -12.134 0.812 1.00 0.00 C ATOM 2230 O ASP C 39 11.236 -12.495 1.930 1.00 0.00 O ATOM 2231 CB ASP C 39 12.988 -12.079 -0.548 1.00 0.00 C ATOM 2232 CG ASP C 39 13.787 -12.731 -1.674 1.00 0.00 C ATOM 2233 OD1 ASP C 39 14.394 -13.794 -1.407 1.00 0.00 O ATOM 2234 OD2 ASP C 39 13.783 -12.168 -2.793 1.00 0.00 O ATOM 0 H ASP C 39 11.266 -11.684 -2.216 1.00 0.00 H new ATOM 0 HA ASP C 39 11.679 -13.766 -0.309 1.00 0.00 H new ATOM 0 HB2 ASP C 39 12.904 -11.008 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP C 39 13.522 -12.199 0.394 1.00 0.00 H new ATOM 2239 N VAL C 40 9.873 -11.270 0.629 1.00 0.00 N ATOM 2240 CA VAL C 40 9.037 -10.812 1.727 1.00 0.00 C ATOM 2241 C VAL C 40 7.561 -11.049 1.411 1.00 0.00 C ATOM 2242 O VAL C 40 7.118 -10.936 0.267 1.00 0.00 O ATOM 2243 CB VAL C 40 9.315 -9.343 2.066 1.00 0.00 C ATOM 2244 CG1 VAL C 40 10.804 -9.134 2.346 1.00 0.00 C ATOM 2245 CG2 VAL C 40 8.876 -8.395 0.949 1.00 0.00 C ATOM 0 H VAL C 40 9.624 -10.875 -0.278 1.00 0.00 H new ATOM 0 HA VAL C 40 9.288 -11.396 2.613 1.00 0.00 H new ATOM 0 HB VAL C 40 8.730 -9.109 2.956 1.00 0.00 H new ATOM 0 HG11 VAL C 40 10.986 -8.086 2.585 1.00 0.00 H new ATOM 0 HG12 VAL C 40 11.107 -9.756 3.188 1.00 0.00 H new ATOM 0 HG13 VAL C 40 11.382 -9.410 1.464 1.00 0.00 H new ATOM 0 HG21 VAL C 40 9.094 -7.367 1.238 1.00 0.00 H new ATOM 0 HG22 VAL C 40 9.415 -8.637 0.033 1.00 0.00 H new ATOM 0 HG23 VAL C 40 7.805 -8.504 0.779 1.00 0.00 H new ATOM 2255 N ALA C 41 6.803 -11.378 2.457 1.00 0.00 N ATOM 2256 CA ALA C 41 5.389 -11.681 2.356 1.00 0.00 C ATOM 2257 C ALA C 41 4.586 -10.426 2.038 1.00 0.00 C ATOM 2258 O ALA C 41 4.944 -9.326 2.453 1.00 0.00 O ATOM 2259 CB ALA C 41 4.922 -12.288 3.676 1.00 0.00 C ATOM 0 H ALA C 41 7.166 -11.440 3.408 1.00 0.00 H new ATOM 0 HA ALA C 41 5.230 -12.391 1.544 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.859 -12.521 3.614 1.00 0.00 H new ATOM 0 HB2 ALA C 41 5.482 -13.201 3.875 1.00 0.00 H new ATOM 0 HB3 ALA C 41 5.091 -11.576 4.484 1.00 0.00 H new ATOM 2265 N VAL C 42 3.491 -10.602 1.297 1.00 0.00 N ATOM 2266 CA VAL C 42 2.575 -9.527 0.943 1.00 0.00 C ATOM 2267 C VAL C 42 1.168 -10.106 0.875 1.00 0.00 C ATOM 2268 O VAL C 42 0.897 -10.955 0.030 1.00 0.00 O ATOM 2269 CB VAL C 42 2.967 -8.951 -0.421 1.00 0.00 C ATOM 2270 CG1 VAL C 42 1.975 -7.873 -0.848 1.00 0.00 C ATOM 2271 CG2 VAL C 42 4.360 -8.320 -0.402 1.00 0.00 C ATOM 0 H VAL C 42 3.215 -11.510 0.923 1.00 0.00 H new ATOM 0 HA VAL C 42 2.617 -8.730 1.686 1.00 0.00 H new ATOM 0 HB VAL C 42 2.962 -9.786 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL C 42 2.267 -7.474 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.977 -8.305 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL C 42 1.971 -7.070 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL C 42 4.594 -7.925 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL C 42 4.383 -7.510 0.327 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.098 -9.075 -0.129 1.00 0.00 H new ATOM 2281 N HIS C 43 0.268 -9.657 1.755 1.00 0.00 N ATOM 2282 CA HIS C 43 -1.100 -10.161 1.784 1.00 0.00 C ATOM 2283 C HIS C 43 -2.064 -9.112 2.318 1.00 0.00 C ATOM 2284 O HIS C 43 -1.659 -8.146 2.967 1.00 0.00 O ATOM 2285 CB HIS C 43 -1.188 -11.409 2.673 1.00 0.00 C ATOM 2286 CG HIS C 43 -0.291 -12.544 2.254 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -0.652 -13.589 1.405 1.00 0.00 N ATOM 2288 CD2 HIS C 43 1.005 -12.715 2.649 1.00 0.00 C ATOM 2289 CE1 HIS C 43 0.436 -14.370 1.312 1.00 0.00 C ATOM 2290 NE2 HIS C 43 1.445 -13.868 2.045 1.00 0.00 N ATOM 0 H HIS C 43 0.467 -8.944 2.456 1.00 0.00 H new ATOM 0 HA HIS C 43 -1.378 -10.411 0.760 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -0.941 -11.127 3.697 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -2.219 -11.762 2.679 1.00 0.00 H new ATOM 0 HD2 HIS C 43 1.572 -12.072 3.306 1.00 0.00 H new ATOM 0 HE1 HIS C 43 0.493 -15.277 0.728 1.00 0.00 H new ATOM 0 HE2 HIS C 43 2.377 -14.273 2.137 1.00 0.00 H new ATOM 2298 N ARG C 44 -3.355 -9.312 2.040 1.00 0.00 N ATOM 2299 CA ARG C 44 -4.419 -8.479 2.573 1.00 0.00 C ATOM 2300 C ARG C 44 -4.519 -8.663 4.083 1.00 0.00 C ATOM 2301 O ARG C 44 -4.046 -9.665 4.616 1.00 0.00 O ATOM 2302 CB ARG C 44 -5.738 -8.851 1.885 1.00 0.00 C ATOM 2303 CG ARG C 44 -6.179 -10.253 2.305 1.00 0.00 C ATOM 2304 CD ARG C 44 -7.381 -10.731 1.499 1.00 0.00 C ATOM 2305 NE ARG C 44 -6.969 -11.148 0.157 1.00 0.00 N ATOM 2306 CZ ARG C 44 -7.446 -12.230 -0.463 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -8.409 -12.965 0.080 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -6.962 -12.597 -1.642 1.00 0.00 N ATOM 0 H ARG C 44 -3.686 -10.063 1.434 1.00 0.00 H new ATOM 0 HA ARG C 44 -4.202 -7.429 2.377 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -6.509 -8.126 2.146 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -5.616 -8.810 0.803 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -5.351 -10.950 2.172 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -6.429 -10.253 3.366 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -7.862 -11.563 2.013 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -8.118 -9.932 1.427 1.00 0.00 H new ATOM 0 HE ARG C 44 -6.278 -10.579 -0.332 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -8.798 -12.707 0.987 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -8.760 -13.788 -0.410 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -6.220 -12.051 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -7.331 -13.425 -2.110 1.00 0.00 H new ATOM 2322 N GLU C 45 -5.131 -7.711 4.786 1.00 0.00 N ATOM 2323 CA GLU C 45 -5.251 -7.820 6.238 1.00 0.00 C ATOM 2324 C GLU C 45 -6.212 -8.941 6.631 1.00 0.00 C ATOM 2325 O GLU C 45 -6.130 -9.464 7.739 1.00 0.00 O ATOM 2326 CB GLU C 45 -5.665 -6.470 6.840 1.00 0.00 C ATOM 2327 CG GLU C 45 -7.090 -6.034 6.481 1.00 0.00 C ATOM 2328 CD GLU C 45 -8.158 -6.697 7.349 1.00 0.00 C ATOM 2329 OE1 GLU C 45 -7.975 -6.710 8.587 1.00 0.00 O ATOM 2330 OE2 GLU C 45 -9.151 -7.189 6.767 1.00 0.00 O ATOM 0 H GLU C 45 -5.544 -6.870 4.383 1.00 0.00 H new ATOM 0 HA GLU C 45 -4.276 -8.083 6.649 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -5.576 -6.526 7.925 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -4.967 -5.704 6.502 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -7.169 -4.952 6.583 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -7.283 -6.271 5.435 1.00 0.00 H new ATOM 2337 N GLU C 46 -7.127 -9.311 5.726 1.00 0.00 N ATOM 2338 CA GLU C 46 -8.119 -10.353 5.965 1.00 0.00 C ATOM 2339 C GLU C 46 -7.493 -11.749 5.951 1.00 0.00 C ATOM 2340 O GLU C 46 -8.146 -12.723 6.318 1.00 0.00 O ATOM 2341 CB GLU C 46 -9.212 -10.228 4.897 1.00 0.00 C ATOM 2342 CG GLU C 46 -10.416 -11.127 5.179 1.00 0.00 C ATOM 2343 CD GLU C 46 -11.543 -10.852 4.187 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -11.332 -11.117 2.982 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -12.610 -10.380 4.642 1.00 0.00 O ATOM 0 H GLU C 46 -7.195 -8.888 4.800 1.00 0.00 H new ATOM 0 HA GLU C 46 -8.549 -10.220 6.958 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -9.543 -9.191 4.841 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -8.794 -10.482 3.923 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -10.117 -12.173 5.115 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -10.771 -10.958 6.196 1.00 0.00 H new ATOM 2352 N ILE C 47 -6.228 -11.868 5.530 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.568 -13.159 5.417 1.00 0.00 C ATOM 2354 C ILE C 47 -4.170 -13.114 6.019 1.00 0.00 C ATOM 2355 O ILE C 47 -3.647 -14.159 6.400 1.00 0.00 O ATOM 2356 CB ILE C 47 -5.551 -13.595 3.941 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.938 -14.142 3.584 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -4.465 -14.630 3.636 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -6.937 -14.863 2.239 1.00 0.00 C ATOM 0 H ILE C 47 -5.644 -11.076 5.262 1.00 0.00 H new ATOM 0 HA ILE C 47 -6.125 -13.902 5.987 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.312 -12.725 3.330 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -7.269 -14.828 4.363 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.655 -13.322 3.556 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -4.504 -14.898 2.580 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -3.486 -14.210 3.868 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -4.631 -15.521 4.242 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.939 -15.235 2.025 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -6.632 -14.170 1.455 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.240 -15.700 2.275 1.00 0.00 H new ATOM 2371 N TYR C 48 -3.535 -11.947 6.126 1.00 0.00 N ATOM 2372 CA TYR C 48 -2.208 -11.929 6.703 1.00 0.00 C ATOM 2373 C TYR C 48 -2.266 -12.395 8.155 1.00 0.00 C ATOM 2374 O TYR C 48 -1.347 -13.048 8.646 1.00 0.00 O ATOM 2375 CB TYR C 48 -1.606 -10.532 6.626 1.00 0.00 C ATOM 2376 CG TYR C 48 -0.217 -10.539 7.206 1.00 0.00 C ATOM 2377 CD1 TYR C 48 0.873 -10.902 6.403 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.033 -10.208 8.555 1.00 0.00 C ATOM 2379 CE1 TYR C 48 2.159 -10.950 6.952 1.00 0.00 C ATOM 2380 CE2 TYR C 48 1.251 -10.247 9.109 1.00 0.00 C ATOM 2381 CZ TYR C 48 2.356 -10.602 8.305 1.00 0.00 C ATOM 2382 OH TYR C 48 3.610 -10.612 8.838 1.00 0.00 O ATOM 0 H TYR C 48 -3.904 -11.043 5.833 1.00 0.00 H new ATOM 0 HA TYR C 48 -1.574 -12.608 6.134 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -1.575 -10.197 5.589 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -2.233 -9.826 7.170 1.00 0.00 H new ATOM 0 HD1 TYR C 48 0.720 -11.144 5.362 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -0.878 -9.924 9.164 1.00 0.00 H new ATOM 0 HE1 TYR C 48 2.998 -11.252 6.342 1.00 0.00 H new ATOM 0 HE2 TYR C 48 1.397 -10.006 10.152 1.00 0.00 H new ATOM 0 HH TYR C 48 4.244 -10.242 8.189 1.00 0.00 H new ATOM 2392 N GLN C 49 -3.357 -12.048 8.840 1.00 0.00 N ATOM 2393 CA GLN C 49 -3.531 -12.367 10.241 1.00 0.00 C ATOM 2394 C GLN C 49 -3.863 -13.843 10.440 1.00 0.00 C ATOM 2395 O GLN C 49 -3.782 -14.341 11.562 1.00 0.00 O ATOM 2396 CB GLN C 49 -4.631 -11.472 10.810 1.00 0.00 C ATOM 2397 CG GLN C 49 -4.252 -10.010 10.564 1.00 0.00 C ATOM 2398 CD GLN C 49 -5.257 -9.055 11.194 1.00 0.00 C ATOM 2399 OE1 GLN C 49 -5.258 -8.839 12.403 1.00 0.00 O ATOM 2400 NE2 GLN C 49 -6.127 -8.473 10.372 1.00 0.00 N ATOM 0 H GLN C 49 -4.140 -11.538 8.431 1.00 0.00 H new ATOM 0 HA GLN C 49 -2.597 -12.183 10.772 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -5.586 -11.699 10.336 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -4.753 -11.656 11.877 1.00 0.00 H new ATOM 0 HG2 GLN C 49 -3.260 -9.817 10.973 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -4.196 -9.824 9.491 1.00 0.00 H new ATOM 0 HE21 GLN C 49 -6.098 -8.675 9.373 1.00 0.00 H new ATOM 0 HE22 GLN C 49 -6.823 -7.825 10.741 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.230 -14.546 9.361 1.00 0.00 N ATOM 2410 CA ARG C 50 -4.497 -15.980 9.425 1.00 0.00 C ATOM 2411 C ARG C 50 -3.241 -16.775 9.062 1.00 0.00 C ATOM 2412 O ARG C 50 -3.069 -17.896 9.530 1.00 0.00 O ATOM 2413 CB ARG C 50 -5.705 -16.339 8.544 1.00 0.00 C ATOM 2414 CG ARG C 50 -5.332 -16.844 7.146 1.00 0.00 C ATOM 2415 CD ARG C 50 -6.587 -16.986 6.284 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.490 -18.016 6.812 1.00 0.00 N ATOM 2417 CZ ARG C 50 -8.713 -18.254 6.325 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -9.192 -17.540 5.313 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -9.462 -19.213 6.862 1.00 0.00 N ATOM 0 H ARG C 50 -4.348 -14.139 8.433 1.00 0.00 H new ATOM 0 HA ARG C 50 -4.758 -16.254 10.447 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.295 -17.104 9.049 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -6.342 -15.460 8.443 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -4.635 -16.151 6.675 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -4.824 -17.805 7.222 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -7.110 -16.030 6.241 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -6.301 -17.240 5.263 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.166 -18.583 7.596 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -8.626 -16.800 4.898 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -10.126 -17.731 4.951 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -9.103 -19.764 7.642 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -10.395 -19.398 6.494 1.00 0.00 H new ATOM 2433 N ILE C 51 -2.369 -16.196 8.230 1.00 0.00 N ATOM 2434 CA ILE C 51 -1.082 -16.789 7.886 1.00 0.00 C ATOM 2435 C ILE C 51 -0.184 -16.755 9.112 1.00 0.00 C ATOM 2436 O ILE C 51 0.437 -17.751 9.474 1.00 0.00 O ATOM 2437 CB ILE C 51 -0.466 -15.985 6.739 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -1.299 -16.179 5.471 1.00 0.00 C ATOM 2439 CG2 ILE C 51 0.974 -16.417 6.446 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -0.913 -15.141 4.424 1.00 0.00 C ATOM 0 H ILE C 51 -2.541 -15.299 7.777 1.00 0.00 H new ATOM 0 HA ILE C 51 -1.202 -17.825 7.568 1.00 0.00 H new ATOM 0 HB ILE C 51 -0.458 -14.938 7.042 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -1.142 -17.182 5.074 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -2.360 -16.091 5.707 1.00 0.00 H new ATOM 0 HG21 ILE C 51 1.373 -15.821 5.625 1.00 0.00 H new ATOM 0 HG22 ILE C 51 1.587 -16.267 7.335 1.00 0.00 H new ATOM 0 HG23 ILE C 51 0.988 -17.471 6.169 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -1.513 -15.289 3.526 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -1.093 -14.141 4.819 1.00 0.00 H new ATOM 0 HD13 ILE C 51 0.143 -15.249 4.177 1.00 0.00 H new ATOM 2452 N GLN C 52 -0.117 -15.589 9.755 1.00 0.00 N ATOM 2453 CA GLN C 52 0.733 -15.387 10.915 1.00 0.00 C ATOM 2454 C GLN C 52 0.145 -16.043 12.161 1.00 0.00 C ATOM 2455 O GLN C 52 0.686 -15.882 13.256 1.00 0.00 O ATOM 2456 CB GLN C 52 0.990 -13.888 11.094 1.00 0.00 C ATOM 2457 CG GLN C 52 1.743 -13.359 9.877 1.00 0.00 C ATOM 2458 CD GLN C 52 2.979 -14.194 9.572 1.00 0.00 C ATOM 2459 OE1 GLN C 52 3.949 -14.197 10.329 1.00 0.00 O ATOM 2460 NE2 GLN C 52 2.954 -14.914 8.454 1.00 0.00 N ATOM 0 H GLN C 52 -0.651 -14.764 9.483 1.00 0.00 H new ATOM 0 HA GLN C 52 1.693 -15.877 10.754 1.00 0.00 H new ATOM 0 HB2 GLN C 52 0.046 -13.356 11.212 1.00 0.00 H new ATOM 0 HB3 GLN C 52 1.570 -13.712 12.000 1.00 0.00 H new ATOM 0 HG2 GLN C 52 1.081 -13.359 9.011 1.00 0.00 H new ATOM 0 HG3 GLN C 52 2.037 -12.324 10.053 1.00 0.00 H new ATOM 0 HE21 GLN C 52 2.133 -14.888 7.849 1.00 0.00 H new ATOM 0 HE22 GLN C 52 3.756 -15.492 8.202 1.00 0.00 H new ATOM 2469 N ALA C 53 -0.958 -16.778 12.001 1.00 0.00 N ATOM 2470 CA ALA C 53 -1.557 -17.505 13.103 1.00 0.00 C ATOM 2471 C ALA C 53 -0.728 -18.741 13.471 1.00 0.00 C ATOM 2472 O ALA C 53 -0.905 -19.292 14.557 1.00 0.00 O ATOM 2473 CB ALA C 53 -2.980 -17.915 12.726 1.00 0.00 C ATOM 0 H ALA C 53 -1.449 -16.880 11.113 1.00 0.00 H new ATOM 0 HA ALA C 53 -1.583 -16.853 13.976 1.00 0.00 H new ATOM 0 HB1 ALA C 53 -3.432 -18.462 13.553 1.00 0.00 H new ATOM 0 HB2 ALA C 53 -3.571 -17.024 12.514 1.00 0.00 H new ATOM 0 HB3 ALA C 53 -2.953 -18.552 11.842 1.00 0.00 H new ATOM 2479 N GLY C 54 0.172 -19.179 12.580 1.00 0.00 N ATOM 2480 CA GLY C 54 1.021 -20.341 12.825 1.00 0.00 C ATOM 2481 C GLY C 54 0.997 -21.323 11.655 1.00 0.00 C ATOM 2482 O GLY C 54 1.358 -22.486 11.826 1.00 0.00 O ATOM 0 H GLY C 54 0.328 -18.736 11.674 1.00 0.00 H new ATOM 0 HA2 GLY C 54 2.045 -20.011 13.001 1.00 0.00 H new ATOM 0 HA3 GLY C 54 0.689 -20.848 13.731 1.00 0.00 H new ATOM 2486 N LEU C 55 0.573 -20.869 10.473 1.00 0.00 N ATOM 2487 CA LEU C 55 0.383 -21.718 9.307 1.00 0.00 C ATOM 2488 C LEU C 55 0.855 -21.013 8.035 1.00 0.00 C ATOM 2489 O LEU C 55 1.437 -19.932 8.098 1.00 0.00 O ATOM 2490 CB LEU C 55 -1.094 -22.121 9.245 1.00 0.00 C ATOM 2491 CG LEU C 55 -2.056 -20.925 9.196 1.00 0.00 C ATOM 2492 CD1 LEU C 55 -2.152 -20.323 7.795 1.00 0.00 C ATOM 2493 CD2 LEU C 55 -3.447 -21.399 9.603 1.00 0.00 C ATOM 0 H LEU C 55 0.351 -19.888 10.303 1.00 0.00 H new ATOM 0 HA LEU C 55 0.989 -22.620 9.389 1.00 0.00 H new ATOM 0 HB2 LEU C 55 -1.256 -22.743 8.365 1.00 0.00 H new ATOM 0 HB3 LEU C 55 -1.332 -22.733 10.115 1.00 0.00 H new ATOM 0 HG LEU C 55 -1.674 -20.162 9.874 1.00 0.00 H new ATOM 0 HD11 LEU C 55 -2.843 -19.480 7.808 1.00 0.00 H new ATOM 0 HD12 LEU C 55 -1.167 -19.980 7.478 1.00 0.00 H new ATOM 0 HD13 LEU C 55 -2.514 -21.079 7.098 1.00 0.00 H new ATOM 0 HD21 LEU C 55 -4.141 -20.559 9.573 1.00 0.00 H new ATOM 0 HD22 LEU C 55 -3.784 -22.173 8.913 1.00 0.00 H new ATOM 0 HD23 LEU C 55 -3.412 -21.804 10.614 1.00 0.00 H new ATOM 2505 N THR C 56 0.603 -21.621 6.871 1.00 0.00 N ATOM 2506 CA THR C 56 0.999 -21.054 5.589 1.00 0.00 C ATOM 2507 C THR C 56 -0.102 -21.277 4.551 1.00 0.00 C ATOM 2508 O THR C 56 -1.101 -21.939 4.827 1.00 0.00 O ATOM 2509 CB THR C 56 2.327 -21.665 5.132 1.00 0.00 C ATOM 2510 OG1 THR C 56 2.197 -23.067 5.025 1.00 0.00 O ATOM 2511 CG2 THR C 56 3.436 -21.341 6.131 1.00 0.00 C ATOM 0 H THR C 56 0.120 -22.516 6.797 1.00 0.00 H new ATOM 0 HA THR C 56 1.142 -19.979 5.701 1.00 0.00 H new ATOM 0 HB THR C 56 2.585 -21.242 4.161 1.00 0.00 H new ATOM 0 HG1 THR C 56 3.048 -23.453 4.731 1.00 0.00 H new ATOM 0 HG21 THR C 56 4.373 -21.783 5.791 1.00 0.00 H new ATOM 0 HG22 THR C 56 3.552 -20.260 6.208 1.00 0.00 H new ATOM 0 HG23 THR C 56 3.176 -21.749 7.108 1.00 0.00 H new ATOM 2519 N ALA C 57 0.089 -20.720 3.350 1.00 0.00 N ATOM 2520 CA ALA C 57 -0.881 -20.800 2.266 1.00 0.00 C ATOM 2521 C ALA C 57 -1.268 -22.248 1.948 1.00 0.00 C ATOM 2522 O ALA C 57 -0.476 -23.167 2.170 1.00 0.00 O ATOM 2523 CB ALA C 57 -0.284 -20.129 1.033 1.00 0.00 C ATOM 0 H ALA C 57 0.931 -20.198 3.107 1.00 0.00 H new ATOM 0 HA ALA C 57 -1.793 -20.289 2.574 1.00 0.00 H new ATOM 0 HB1 ALA C 57 -0.997 -20.179 0.210 1.00 0.00 H new ATOM 0 HB2 ALA C 57 -0.062 -19.086 1.258 1.00 0.00 H new ATOM 0 HB3 ALA C 57 0.635 -20.642 0.749 1.00 0.00 H new