USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 MET CE :methyl 177:sc=-0.00562 (180deg=-0.0417) USER MOD Set 1.2: A 36 MET CE :methyl 170:sc=-0.00562 (180deg=0) USER MOD Set 2.1: A 30 GLN : amide:sc= 0.0985 K(o=0.05,f=-0.48) USER MOD Set 2.2: A 34 ASN : amide:sc= -0.0484 X(o=0.05,f=-0.33) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.08 (180deg=-0.0828) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00105 USER MOD Single : A 6 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 17 MET CE :methyl 152:sc= -0.285 (180deg=-1.54!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.165 F(o=-0.94,f=-0.17) USER MOD Single : A 23 SER OG : rot -41:sc= 0.506 USER MOD Single : A 24 GLN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 25 THR OG1 : rot 81:sc= 0.164 USER MOD Single : A 27 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.9!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 38 GLN : amide:sc= -0.371 K(o=-0.37,f=-3!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0112) USER MOD Single : A 50 GLN : amide:sc= -0.011 X(o=-0.011,f=0.36) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 60:sc= 0.172 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 62:sc= -0.356 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 55:sc= 0.341 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.479 -0.398 14.077 1.00 0.00 N ATOM 2 CA MET A 1 -20.731 -0.398 12.832 1.00 0.00 C ATOM 3 C MET A 1 -21.650 -0.127 11.639 1.00 0.00 C ATOM 4 O MET A 1 -22.873 -0.141 11.778 1.00 0.00 O ATOM 5 CB MET A 1 -20.043 -1.753 12.649 1.00 0.00 C ATOM 6 CG MET A 1 -18.992 -1.985 13.736 1.00 0.00 C ATOM 7 SD MET A 1 -19.506 -3.319 14.806 1.00 0.00 S ATOM 8 CE MET A 1 -19.219 -2.566 16.399 1.00 0.00 C ATOM 0 H1 MET A 1 -21.130 0.365 14.692 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.488 -0.246 13.876 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.356 -1.313 14.556 1.00 0.00 H new ATOM 0 HA MET A 1 -19.985 0.395 12.879 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.786 -2.550 12.681 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.572 -1.796 11.667 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.031 -2.223 13.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.851 -1.074 14.318 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.490 -3.268 17.187 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.165 -2.304 16.493 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.826 -1.666 16.491 1.00 0.00 H new ATOM 16 N ALA A 2 -21.028 0.113 10.495 1.00 0.00 N ATOM 17 CA ALA A 2 -21.775 0.387 9.279 1.00 0.00 C ATOM 18 C ALA A 2 -21.849 -0.886 8.434 1.00 0.00 C ATOM 19 O ALA A 2 -21.403 -1.948 8.865 1.00 0.00 O ATOM 20 CB ALA A 2 -21.121 1.548 8.528 1.00 0.00 C ATOM 0 H ALA A 2 -20.014 0.124 10.384 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.796 0.686 9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -21.682 1.753 7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.120 2.436 9.161 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.095 1.284 8.272 1.00 0.00 H new ATOM 26 N SER A 3 -22.415 -0.737 7.245 1.00 0.00 N ATOM 27 CA SER A 3 -22.554 -1.861 6.336 1.00 0.00 C ATOM 28 C SER A 3 -21.406 -1.860 5.324 1.00 0.00 C ATOM 29 O SER A 3 -20.755 -0.837 5.120 1.00 0.00 O ATOM 30 CB SER A 3 -23.900 -1.821 5.610 1.00 0.00 C ATOM 31 OG SER A 3 -24.180 -0.530 5.075 1.00 0.00 O ATOM 0 H SER A 3 -22.783 0.146 6.891 1.00 0.00 H new ATOM 0 HA SER A 3 -22.515 -2.780 6.921 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.899 -2.555 4.804 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.693 -2.107 6.301 1.00 0.00 H new ATOM 0 HG SER A 3 -25.047 -0.546 4.618 1.00 0.00 H new ATOM 36 N LEU A 4 -21.193 -3.019 4.717 1.00 0.00 N ATOM 37 CA LEU A 4 -20.135 -3.164 3.732 1.00 0.00 C ATOM 38 C LEU A 4 -20.574 -2.512 2.419 1.00 0.00 C ATOM 39 O LEU A 4 -19.755 -1.940 1.701 1.00 0.00 O ATOM 40 CB LEU A 4 -19.738 -4.634 3.586 1.00 0.00 C ATOM 41 CG LEU A 4 -18.387 -5.026 4.187 1.00 0.00 C ATOM 42 CD1 LEU A 4 -18.207 -6.546 4.187 1.00 0.00 C ATOM 43 CD2 LEU A 4 -17.239 -4.314 3.468 1.00 0.00 C ATOM 0 H LEU A 4 -21.735 -3.866 4.889 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.234 -2.645 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.511 -5.246 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -19.728 -4.883 2.525 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.368 -4.699 5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.239 -6.798 4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -18.999 -7.006 4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -18.255 -6.918 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.290 -4.610 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.245 -4.588 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.363 -3.235 3.563 1.00 0.00 H new ATOM 54 N ILE A 5 -21.866 -2.621 2.144 1.00 0.00 N ATOM 55 CA ILE A 5 -22.423 -2.049 0.930 1.00 0.00 C ATOM 56 C ILE A 5 -22.008 -0.581 0.825 1.00 0.00 C ATOM 57 O ILE A 5 -21.885 -0.043 -0.274 1.00 0.00 O ATOM 58 CB ILE A 5 -23.937 -2.265 0.882 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.295 -3.715 1.212 1.00 0.00 C ATOM 60 CG2 ILE A 5 -24.512 -1.825 -0.466 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.374 -4.689 0.475 1.00 0.00 C ATOM 0 H ILE A 5 -22.543 -3.097 2.741 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.023 -2.557 0.052 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.395 -1.638 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.216 -3.877 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.331 -3.909 0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -25.590 -1.989 -0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.305 -0.766 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.051 -2.406 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -23.650 -5.713 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.474 -4.541 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.341 -4.508 0.772 1.00 0.00 H new ATOM 72 N GLN A 6 -21.803 0.027 1.985 1.00 0.00 N ATOM 73 CA GLN A 6 -21.403 1.423 2.037 1.00 0.00 C ATOM 74 C GLN A 6 -20.032 1.608 1.385 1.00 0.00 C ATOM 75 O GLN A 6 -19.872 2.440 0.492 1.00 0.00 O ATOM 76 CB GLN A 6 -21.399 1.938 3.478 1.00 0.00 C ATOM 77 CG GLN A 6 -22.735 2.597 3.829 1.00 0.00 C ATOM 78 CD GLN A 6 -22.533 3.760 4.803 1.00 0.00 C ATOM 79 OE1 GLN A 6 -22.855 3.683 5.977 1.00 0.00 O ATOM 80 NE2 GLN A 6 -21.985 4.839 4.251 1.00 0.00 N ATOM 0 H GLN A 6 -21.906 -0.422 2.895 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.131 2.010 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.206 1.112 4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.590 2.656 3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.216 2.958 2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.404 1.859 4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.739 4.836 3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.811 5.669 4.818 1.00 0.00 H new ATOM 87 N VAL A 7 -19.077 0.819 1.855 1.00 0.00 N ATOM 88 CA VAL A 7 -17.724 0.885 1.328 1.00 0.00 C ATOM 89 C VAL A 7 -17.727 0.429 -0.132 1.00 0.00 C ATOM 90 O VAL A 7 -16.995 0.972 -0.957 1.00 0.00 O ATOM 91 CB VAL A 7 -16.779 0.066 2.209 1.00 0.00 C ATOM 92 CG1 VAL A 7 -17.278 -1.373 2.358 1.00 0.00 C ATOM 93 CG2 VAL A 7 -15.352 0.097 1.659 1.00 0.00 C ATOM 0 H VAL A 7 -19.213 0.130 2.595 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.356 1.911 1.347 1.00 0.00 H new ATOM 0 HB VAL A 7 -16.766 0.521 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.588 -1.934 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.267 -1.370 2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.334 -1.842 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.701 -0.493 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.341 -0.321 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.996 1.127 1.628 1.00 0.00 H new ATOM 103 N ARG A 8 -18.559 -0.566 -0.406 1.00 0.00 N ATOM 104 CA ARG A 8 -18.667 -1.102 -1.752 1.00 0.00 C ATOM 105 C ARG A 8 -19.311 -0.072 -2.683 1.00 0.00 C ATOM 106 O ARG A 8 -18.813 0.174 -3.781 1.00 0.00 O ATOM 107 CB ARG A 8 -19.499 -2.385 -1.769 1.00 0.00 C ATOM 108 CG ARG A 8 -18.685 -3.574 -1.253 1.00 0.00 C ATOM 109 CD ARG A 8 -19.127 -4.875 -1.927 1.00 0.00 C ATOM 110 NE ARG A 8 -18.690 -4.886 -3.341 1.00 0.00 N ATOM 111 CZ ARG A 8 -17.463 -5.272 -3.751 1.00 0.00 C ATOM 112 NH1 ARG A 8 -16.539 -5.682 -2.857 1.00 0.00 N ATOM 113 NH2 ARG A 8 -17.181 -5.242 -5.041 1.00 0.00 N ATOM 0 H ARG A 8 -19.164 -1.015 0.282 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.660 -1.332 -2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.388 -2.254 -1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.841 -2.587 -2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.625 -3.404 -1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.805 -3.661 -0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -18.703 -5.730 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.211 -4.973 -1.872 1.00 0.00 H new ATOM 0 HE ARG A 8 -19.358 -4.583 -4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.765 -5.702 -1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.614 -5.972 -3.176 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.885 -4.931 -5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.259 -5.530 -5.368 1.00 0.00 H new ATOM 123 N ASP A 9 -20.407 0.501 -2.211 1.00 0.00 N ATOM 124 CA ASP A 9 -21.124 1.498 -2.987 1.00 0.00 C ATOM 125 C ASP A 9 -20.213 2.703 -3.228 1.00 0.00 C ATOM 126 O ASP A 9 -20.051 3.147 -4.364 1.00 0.00 O ATOM 127 CB ASP A 9 -22.368 1.987 -2.242 1.00 0.00 C ATOM 128 CG ASP A 9 -23.355 2.793 -3.090 1.00 0.00 C ATOM 129 OD1 ASP A 9 -23.195 2.914 -4.313 1.00 0.00 O ATOM 130 OD2 ASP A 9 -24.335 3.317 -2.435 1.00 0.00 O ATOM 0 H ASP A 9 -20.817 0.294 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.425 1.039 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -22.888 1.123 -1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.050 2.601 -1.399 1.00 0.00 H new ATOM 135 N LEU A 10 -19.641 3.199 -2.140 1.00 0.00 N ATOM 136 CA LEU A 10 -18.750 4.344 -2.219 1.00 0.00 C ATOM 137 C LEU A 10 -17.585 4.015 -3.155 1.00 0.00 C ATOM 138 O LEU A 10 -17.180 4.849 -3.963 1.00 0.00 O ATOM 139 CB LEU A 10 -18.311 4.778 -0.819 1.00 0.00 C ATOM 140 CG LEU A 10 -19.174 5.847 -0.146 1.00 0.00 C ATOM 141 CD1 LEU A 10 -18.944 7.218 -0.784 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.651 5.448 -0.160 1.00 0.00 C ATOM 0 H LEU A 10 -19.777 2.829 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.269 5.202 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.292 3.898 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.288 5.150 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.871 5.923 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.569 7.960 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.896 7.497 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.203 7.175 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.242 6.225 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -20.985 5.327 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.779 4.508 0.376 1.00 0.00 H new ATOM 153 N LEU A 11 -17.080 2.798 -3.014 1.00 0.00 N ATOM 154 CA LEU A 11 -15.970 2.349 -3.837 1.00 0.00 C ATOM 155 C LEU A 11 -16.371 2.425 -5.312 1.00 0.00 C ATOM 156 O LEU A 11 -15.525 2.641 -6.178 1.00 0.00 O ATOM 157 CB LEU A 11 -15.505 0.960 -3.396 1.00 0.00 C ATOM 158 CG LEU A 11 -14.370 0.927 -2.370 1.00 0.00 C ATOM 159 CD1 LEU A 11 -14.040 -0.511 -1.964 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.139 1.673 -2.890 1.00 0.00 C ATOM 0 H LEU A 11 -17.419 2.109 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.109 3.004 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.360 0.428 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.185 0.408 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.705 1.446 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.230 -0.506 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.922 -0.976 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.732 -1.076 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.347 1.634 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.791 1.204 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.400 2.712 -3.088 1.00 0.00 H new ATOM 171 N ALA A 12 -17.661 2.242 -5.551 1.00 0.00 N ATOM 172 CA ALA A 12 -18.184 2.287 -6.906 1.00 0.00 C ATOM 173 C ALA A 12 -18.522 3.734 -7.270 1.00 0.00 C ATOM 174 O ALA A 12 -18.086 4.235 -8.305 1.00 0.00 O ATOM 175 CB ALA A 12 -19.396 1.359 -7.016 1.00 0.00 C ATOM 0 H ALA A 12 -18.359 2.062 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.438 1.934 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.789 1.392 -8.032 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.096 0.339 -6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.168 1.684 -6.318 1.00 0.00 H new ATOM 181 N LEU A 13 -19.297 4.364 -6.400 1.00 0.00 N ATOM 182 CA LEU A 13 -19.699 5.743 -6.616 1.00 0.00 C ATOM 183 C LEU A 13 -18.451 6.622 -6.724 1.00 0.00 C ATOM 184 O LEU A 13 -18.232 7.272 -7.746 1.00 0.00 O ATOM 185 CB LEU A 13 -20.677 6.194 -5.529 1.00 0.00 C ATOM 186 CG LEU A 13 -21.972 5.387 -5.416 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.956 6.063 -4.459 1.00 0.00 C ATOM 188 CD2 LEU A 13 -22.588 5.143 -6.794 1.00 0.00 C ATOM 0 H LEU A 13 -19.658 3.944 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.240 5.839 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.164 6.157 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.937 7.237 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 13 -21.731 4.411 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.868 5.470 -4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.505 6.142 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -23.196 7.060 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.507 4.567 -6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.813 6.099 -7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -21.884 4.588 -7.414 1.00 0.00 H new ATOM 199 N ARG A 14 -17.667 6.614 -5.657 1.00 0.00 N ATOM 200 CA ARG A 14 -16.447 7.403 -5.619 1.00 0.00 C ATOM 201 C ARG A 14 -15.313 6.661 -6.331 1.00 0.00 C ATOM 202 O ARG A 14 -14.177 7.133 -6.355 1.00 0.00 O ATOM 203 CB ARG A 14 -16.027 7.699 -4.178 1.00 0.00 C ATOM 204 CG ARG A 14 -17.250 7.882 -3.277 1.00 0.00 C ATOM 205 CD ARG A 14 -18.249 8.859 -3.901 1.00 0.00 C ATOM 206 NE ARG A 14 -17.856 10.252 -3.591 1.00 0.00 N ATOM 207 CZ ARG A 14 -18.219 10.908 -2.468 1.00 0.00 C ATOM 208 NH1 ARG A 14 -18.987 10.302 -1.538 1.00 0.00 N ATOM 209 NH2 ARG A 14 -17.811 12.151 -2.293 1.00 0.00 N ATOM 0 H ARG A 14 -17.852 6.074 -4.812 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.646 8.346 -6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.411 6.883 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.414 8.600 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.732 6.919 -3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.935 8.252 -2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.285 8.714 -4.981 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.251 8.661 -3.519 1.00 0.00 H new ATOM 0 HE ARG A 14 -17.275 10.747 -4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -19.298 9.341 -1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -19.257 10.805 -0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.231 12.602 -3.000 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.076 12.661 -1.450 1.00 0.00 H new ATOM 219 N GLY A 15 -15.661 5.513 -6.893 1.00 0.00 N ATOM 220 CA GLY A 15 -14.687 4.702 -7.603 1.00 0.00 C ATOM 221 C GLY A 15 -13.519 4.324 -6.691 1.00 0.00 C ATOM 222 O GLY A 15 -13.713 4.054 -5.507 1.00 0.00 O ATOM 0 H GLY A 15 -16.604 5.125 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.166 3.798 -7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.315 5.250 -8.469 1.00 0.00 H new ATOM 226 N ARG A 16 -12.330 4.318 -7.277 1.00 0.00 N ATOM 227 CA ARG A 16 -11.130 3.977 -6.532 1.00 0.00 C ATOM 228 C ARG A 16 -10.793 5.087 -5.534 1.00 0.00 C ATOM 229 O ARG A 16 -10.697 6.255 -5.908 1.00 0.00 O ATOM 230 CB ARG A 16 -9.941 3.766 -7.470 1.00 0.00 C ATOM 231 CG ARG A 16 -9.842 4.898 -8.495 1.00 0.00 C ATOM 232 CD ARG A 16 -8.386 5.313 -8.714 1.00 0.00 C ATOM 233 NE ARG A 16 -8.171 5.674 -10.133 1.00 0.00 N ATOM 234 CZ ARG A 16 -8.558 6.844 -10.684 1.00 0.00 C ATOM 235 NH1 ARG A 16 -9.186 7.778 -9.938 1.00 0.00 N ATOM 236 NH2 ARG A 16 -8.315 7.060 -11.963 1.00 0.00 N ATOM 0 H ARG A 16 -12.172 4.544 -8.259 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.324 3.048 -5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.020 3.715 -6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.046 2.812 -7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.278 4.576 -9.441 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.421 5.756 -8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.140 6.160 -8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.720 4.497 -8.433 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.701 4.996 -10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.371 7.602 -8.951 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.475 8.659 -10.362 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.841 6.348 -12.519 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.601 7.939 -12.395 1.00 0.00 H new ATOM 246 N MET A 17 -10.622 4.683 -4.284 1.00 0.00 N ATOM 247 CA MET A 17 -10.297 5.629 -3.229 1.00 0.00 C ATOM 248 C MET A 17 -9.838 4.902 -1.963 1.00 0.00 C ATOM 249 O MET A 17 -10.235 3.764 -1.718 1.00 0.00 O ATOM 250 CB MET A 17 -11.526 6.482 -2.912 1.00 0.00 C ATOM 251 CG MET A 17 -11.287 7.349 -1.674 1.00 0.00 C ATOM 252 SD MET A 17 -10.044 8.581 -2.024 1.00 0.00 S ATOM 253 CE MET A 17 -10.868 9.495 -3.316 1.00 0.00 C ATOM 0 H MET A 17 -10.702 3.713 -3.978 1.00 0.00 H new ATOM 0 HA MET A 17 -9.482 6.265 -3.575 1.00 0.00 H new ATOM 0 HB2 MET A 17 -11.762 7.118 -3.765 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.389 5.836 -2.747 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.216 7.833 -1.374 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.968 6.725 -0.839 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.516 10.527 -3.313 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.648 9.039 -4.281 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.944 9.478 -3.144 1.00 0.00 H new ATOM 261 N GLU A 18 -9.009 5.590 -1.192 1.00 0.00 N ATOM 262 CA GLU A 18 -8.492 5.024 0.042 1.00 0.00 C ATOM 263 C GLU A 18 -9.629 4.808 1.044 1.00 0.00 C ATOM 264 O GLU A 18 -10.698 5.403 0.913 1.00 0.00 O ATOM 265 CB GLU A 18 -7.399 5.914 0.637 1.00 0.00 C ATOM 266 CG GLU A 18 -8.000 7.160 1.290 1.00 0.00 C ATOM 267 CD GLU A 18 -7.388 8.435 0.705 1.00 0.00 C ATOM 268 OE1 GLU A 18 -7.342 8.593 -0.524 1.00 0.00 O ATOM 269 OE2 GLU A 18 -6.950 9.279 1.577 1.00 0.00 O ATOM 0 H GLU A 18 -8.683 6.534 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.044 4.056 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.829 5.351 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.701 6.210 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.080 7.169 1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.828 7.130 2.366 1.00 0.00 H new ATOM 275 N ALA A 19 -9.359 3.956 2.022 1.00 0.00 N ATOM 276 CA ALA A 19 -10.345 3.655 3.045 1.00 0.00 C ATOM 277 C ALA A 19 -10.567 4.894 3.915 1.00 0.00 C ATOM 278 O ALA A 19 -11.695 5.187 4.308 1.00 0.00 O ATOM 279 CB ALA A 19 -9.882 2.445 3.860 1.00 0.00 C ATOM 0 H ALA A 19 -8.471 3.465 2.127 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.302 3.396 2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.622 2.219 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.768 1.584 3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.926 2.669 4.332 1.00 0.00 H new ATOM 285 N ALA A 20 -9.473 5.588 4.190 1.00 0.00 N ATOM 286 CA ALA A 20 -9.533 6.789 5.006 1.00 0.00 C ATOM 287 C ALA A 20 -10.730 7.636 4.570 1.00 0.00 C ATOM 288 O ALA A 20 -11.406 8.237 5.404 1.00 0.00 O ATOM 289 CB ALA A 20 -8.210 7.548 4.896 1.00 0.00 C ATOM 0 H ALA A 20 -8.539 5.342 3.862 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.675 6.533 6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.255 8.449 5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.396 6.913 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.034 7.824 3.856 1.00 0.00 H new ATOM 295 N GLN A 21 -10.956 7.657 3.265 1.00 0.00 N ATOM 296 CA GLN A 21 -12.059 8.421 2.708 1.00 0.00 C ATOM 297 C GLN A 21 -13.389 7.721 2.997 1.00 0.00 C ATOM 298 O GLN A 21 -14.318 8.335 3.519 1.00 0.00 O ATOM 299 CB GLN A 21 -11.871 8.642 1.206 1.00 0.00 C ATOM 300 CG GLN A 21 -11.288 10.028 0.925 1.00 0.00 C ATOM 301 CD GLN A 21 -12.371 10.989 0.430 1.00 0.00 C ATOM 302 OE1 GLN A 21 -13.102 10.510 -0.573 1.00 0.00 O flip ATOM 303 NE2 GLN A 21 -12.532 12.092 0.925 1.00 0.00 N flip ATOM 0 H GLN A 21 -10.394 7.157 2.577 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.074 9.400 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.209 7.876 0.802 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.829 8.536 0.696 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.832 10.425 1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.498 9.949 0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.935 12.398 1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.263 12.708 0.570 1.00 0.00 H new ATOM 310 N ILE A 22 -13.437 6.444 2.644 1.00 0.00 N ATOM 311 CA ILE A 22 -14.637 5.654 2.858 1.00 0.00 C ATOM 312 C ILE A 22 -15.015 5.700 4.340 1.00 0.00 C ATOM 313 O ILE A 22 -16.166 5.967 4.682 1.00 0.00 O ATOM 314 CB ILE A 22 -14.449 4.236 2.315 1.00 0.00 C ATOM 315 CG1 ILE A 22 -14.246 4.251 0.799 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.611 3.331 2.729 1.00 0.00 C ATOM 317 CD1 ILE A 22 -13.109 3.313 0.388 1.00 0.00 C ATOM 0 H ILE A 22 -12.664 5.938 2.212 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.474 6.075 2.302 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.544 3.819 2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -15.168 3.950 0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.023 5.265 0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.452 2.329 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.666 3.284 3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.544 3.734 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.986 3.343 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.183 3.632 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.347 2.295 0.698 1.00 0.00 H new ATOM 328 N SER A 23 -14.025 5.436 5.179 1.00 0.00 N ATOM 329 CA SER A 23 -14.239 5.445 6.616 1.00 0.00 C ATOM 330 C SER A 23 -14.869 6.771 7.044 1.00 0.00 C ATOM 331 O SER A 23 -15.773 6.793 7.878 1.00 0.00 O ATOM 332 CB SER A 23 -12.928 5.213 7.370 1.00 0.00 C ATOM 333 OG SER A 23 -12.100 6.373 7.370 1.00 0.00 O ATOM 0 H SER A 23 -13.072 5.214 4.891 1.00 0.00 H new ATOM 0 HA SER A 23 -14.919 4.630 6.865 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.147 4.924 8.398 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.389 4.383 6.913 1.00 0.00 H new ATOM 0 HG SER A 23 -12.126 6.793 6.485 1.00 0.00 H new ATOM 338 N GLN A 24 -14.368 7.846 6.452 1.00 0.00 N ATOM 339 CA GLN A 24 -14.871 9.174 6.761 1.00 0.00 C ATOM 340 C GLN A 24 -16.344 9.289 6.363 1.00 0.00 C ATOM 341 O GLN A 24 -17.157 9.809 7.125 1.00 0.00 O ATOM 342 CB GLN A 24 -14.031 10.252 6.075 1.00 0.00 C ATOM 343 CG GLN A 24 -13.122 10.962 7.080 1.00 0.00 C ATOM 344 CD GLN A 24 -13.469 12.450 7.177 1.00 0.00 C ATOM 345 OE1 GLN A 24 -14.564 12.835 7.553 1.00 0.00 O ATOM 346 NE2 GLN A 24 -12.478 13.261 6.817 1.00 0.00 N ATOM 0 H GLN A 24 -13.619 7.824 5.760 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.793 9.330 7.837 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.426 9.801 5.288 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.687 10.979 5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.224 10.496 8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.081 10.846 6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.586 12.872 6.512 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.610 14.272 6.846 1.00 0.00 H new ATOM 353 N THR A 25 -16.641 8.796 5.170 1.00 0.00 N ATOM 354 CA THR A 25 -18.002 8.838 4.661 1.00 0.00 C ATOM 355 C THR A 25 -18.983 8.330 5.719 1.00 0.00 C ATOM 356 O THR A 25 -20.020 8.947 5.957 1.00 0.00 O ATOM 357 CB THR A 25 -18.044 8.037 3.358 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.217 8.779 2.467 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.424 8.065 2.698 1.00 0.00 C ATOM 0 H THR A 25 -15.963 8.365 4.541 1.00 0.00 H new ATOM 0 HA THR A 25 -18.311 9.860 4.441 1.00 0.00 H new ATOM 0 HB THR A 25 -17.758 7.004 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.276 8.563 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.399 7.482 1.778 1.00 0.00 H new ATOM 0 HG22 THR A 25 -20.161 7.638 3.378 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.696 9.095 2.468 1.00 0.00 H new ATOM 367 N LEU A 26 -18.620 7.209 6.327 1.00 0.00 N ATOM 368 CA LEU A 26 -19.456 6.611 7.354 1.00 0.00 C ATOM 369 C LEU A 26 -18.896 6.969 8.732 1.00 0.00 C ATOM 370 O LEU A 26 -19.172 6.283 9.715 1.00 0.00 O ATOM 371 CB LEU A 26 -19.597 5.106 7.120 1.00 0.00 C ATOM 372 CG LEU A 26 -18.434 4.427 6.394 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.325 2.954 6.790 1.00 0.00 C ATOM 374 CD2 LEU A 26 -18.554 4.606 4.879 1.00 0.00 C ATOM 0 H LEU A 26 -17.759 6.700 6.128 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.468 7.014 7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.730 4.619 8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.508 4.931 6.547 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.508 4.912 6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.490 2.495 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.158 2.877 7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.249 2.438 6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.715 4.114 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.488 4.163 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.545 5.669 4.636 1.00 0.00 H new ATOM 385 N ASN A 27 -18.120 8.043 8.760 1.00 0.00 N ATOM 386 CA ASN A 27 -17.519 8.500 10.002 1.00 0.00 C ATOM 387 C ASN A 27 -17.068 7.289 10.821 1.00 0.00 C ATOM 388 O ASN A 27 -17.061 7.335 12.050 1.00 0.00 O ATOM 389 CB ASN A 27 -18.525 9.291 10.841 1.00 0.00 C ATOM 390 CG ASN A 27 -17.830 10.415 11.613 1.00 0.00 C ATOM 391 OD1 ASN A 27 -16.618 10.553 11.603 1.00 0.00 O ATOM 392 ND2 ASN A 27 -18.664 11.207 12.282 1.00 0.00 N ATOM 0 H ASN A 27 -17.894 8.610 7.943 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.674 9.141 9.753 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.294 9.711 10.193 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -19.028 8.622 11.539 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -18.299 11.986 12.830 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -19.669 11.035 12.247 1.00 0.00 H new ATOM 398 N THR A 28 -16.702 6.235 10.107 1.00 0.00 N ATOM 399 CA THR A 28 -16.250 5.014 10.753 1.00 0.00 C ATOM 400 C THR A 28 -14.766 5.119 11.112 1.00 0.00 C ATOM 401 O THR A 28 -14.058 5.981 10.595 1.00 0.00 O ATOM 402 CB THR A 28 -16.569 3.842 9.823 1.00 0.00 C ATOM 403 OG1 THR A 28 -17.186 2.881 10.675 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.309 3.137 9.316 1.00 0.00 C ATOM 0 H THR A 28 -16.709 6.201 9.088 1.00 0.00 H new ATOM 0 HA THR A 28 -16.770 4.849 11.697 1.00 0.00 H new ATOM 0 HB THR A 28 -17.151 4.200 8.974 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.427 2.088 10.153 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.592 2.313 8.660 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.693 3.846 8.763 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.744 2.749 10.163 1.00 0.00 H new ATOM 412 N PRO A 29 -14.329 4.204 12.019 1.00 0.00 N ATOM 413 CA PRO A 29 -12.943 4.185 12.453 1.00 0.00 C ATOM 414 C PRO A 29 -12.036 3.596 11.370 1.00 0.00 C ATOM 415 O PRO A 29 -12.380 2.594 10.746 1.00 0.00 O ATOM 416 CB PRO A 29 -12.943 3.369 13.736 1.00 0.00 C ATOM 417 CG PRO A 29 -14.239 2.575 13.723 1.00 0.00 C ATOM 418 CD PRO A 29 -15.139 3.168 12.652 1.00 0.00 C ATOM 0 HA PRO A 29 -12.545 5.184 12.632 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.079 2.706 13.777 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.890 4.017 14.611 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.040 1.524 13.515 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.724 2.621 14.698 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.448 2.411 11.931 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -16.048 3.586 13.085 1.00 0.00 H new ATOM 423 N GLN A 30 -10.896 4.244 11.182 1.00 0.00 N ATOM 424 CA GLN A 30 -9.938 3.796 10.185 1.00 0.00 C ATOM 425 C GLN A 30 -9.738 2.282 10.282 1.00 0.00 C ATOM 426 O GLN A 30 -9.851 1.573 9.284 1.00 0.00 O ATOM 427 CB GLN A 30 -8.606 4.535 10.334 1.00 0.00 C ATOM 428 CG GLN A 30 -8.119 5.064 8.984 1.00 0.00 C ATOM 429 CD GLN A 30 -7.553 3.932 8.123 1.00 0.00 C ATOM 430 OE1 GLN A 30 -6.536 3.334 8.430 1.00 0.00 O ATOM 431 NE2 GLN A 30 -8.268 3.674 7.032 1.00 0.00 N ATOM 0 H GLN A 30 -10.614 5.075 11.702 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.337 4.027 9.197 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.722 5.363 11.033 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.859 3.863 10.757 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.944 5.547 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.353 5.823 9.142 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.111 4.214 6.835 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.974 2.936 6.392 1.00 0.00 H new ATOM 438 N PRO A 31 -9.438 1.821 11.526 1.00 0.00 N ATOM 439 CA PRO A 31 -9.222 0.404 11.766 1.00 0.00 C ATOM 440 C PRO A 31 -10.548 -0.361 11.764 1.00 0.00 C ATOM 441 O PRO A 31 -10.854 -1.081 12.713 1.00 0.00 O ATOM 442 CB PRO A 31 -8.500 0.337 13.102 1.00 0.00 C ATOM 443 CG PRO A 31 -8.750 1.675 13.778 1.00 0.00 C ATOM 444 CD PRO A 31 -9.297 2.632 12.731 1.00 0.00 C ATOM 0 HA PRO A 31 -8.629 -0.070 10.984 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.879 -0.485 13.710 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.433 0.164 12.961 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.458 1.562 14.599 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.826 2.065 14.206 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.254 3.052 13.040 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.619 3.470 12.568 1.00 0.00 H new ATOM 449 N MET A 32 -11.298 -0.178 10.687 1.00 0.00 N ATOM 450 CA MET A 32 -12.583 -0.842 10.550 1.00 0.00 C ATOM 451 C MET A 32 -12.836 -1.250 9.097 1.00 0.00 C ATOM 452 O MET A 32 -13.219 -2.387 8.826 1.00 0.00 O ATOM 453 CB MET A 32 -13.696 0.098 11.017 1.00 0.00 C ATOM 454 CG MET A 32 -14.895 -0.692 11.546 1.00 0.00 C ATOM 455 SD MET A 32 -16.133 -0.850 10.270 1.00 0.00 S ATOM 456 CE MET A 32 -16.432 -2.608 10.344 1.00 0.00 C ATOM 0 H MET A 32 -11.041 0.420 9.902 1.00 0.00 H new ATOM 0 HA MET A 32 -12.574 -1.742 11.165 1.00 0.00 H new ATOM 0 HB2 MET A 32 -13.317 0.757 11.798 1.00 0.00 H new ATOM 0 HB3 MET A 32 -14.011 0.734 10.189 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.573 -1.680 11.876 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.319 -0.188 12.415 1.00 0.00 H new ATOM 0 HE1 MET A 32 -17.224 -2.872 9.643 1.00 0.00 H new ATOM 0 HE2 MET A 32 -15.520 -3.144 10.080 1.00 0.00 H new ATOM 0 HE3 MET A 32 -16.735 -2.883 11.354 1.00 0.00 H new ATOM 464 N ILE A 33 -12.612 -0.300 8.201 1.00 0.00 N ATOM 465 CA ILE A 33 -12.811 -0.546 6.783 1.00 0.00 C ATOM 466 C ILE A 33 -11.660 -1.404 6.252 1.00 0.00 C ATOM 467 O ILE A 33 -11.871 -2.284 5.420 1.00 0.00 O ATOM 468 CB ILE A 33 -12.993 0.773 6.030 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.144 1.589 6.623 1.00 0.00 C ATOM 470 CG2 ILE A 33 -13.176 0.529 4.531 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.493 0.940 6.310 1.00 0.00 C ATOM 0 H ILE A 33 -12.294 0.642 8.430 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.730 -1.108 6.620 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.084 1.363 6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -14.018 1.672 7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.122 2.602 6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.303 1.483 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.297 0.020 4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -14.058 -0.090 4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.294 1.539 6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.626 0.881 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.521 -0.064 6.734 1.00 0.00 H new ATOM 482 N ASN A 34 -10.469 -1.116 6.756 1.00 0.00 N ATOM 483 CA ASN A 34 -9.285 -1.850 6.343 1.00 0.00 C ATOM 484 C ASN A 34 -9.514 -3.346 6.566 1.00 0.00 C ATOM 485 O ASN A 34 -9.163 -4.164 5.717 1.00 0.00 O ATOM 486 CB ASN A 34 -8.064 -1.431 7.164 1.00 0.00 C ATOM 487 CG ASN A 34 -7.575 -0.041 6.751 1.00 0.00 C ATOM 488 OD1 ASN A 34 -7.423 0.269 5.581 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.339 0.775 7.774 1.00 0.00 N ATOM 0 H ASN A 34 -10.299 -0.385 7.446 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.104 -1.633 5.290 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.317 -1.431 8.224 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.263 -2.157 7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.010 1.725 7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.487 0.451 8.730 1.00 0.00 H new ATOM 495 N ALA A 35 -10.102 -3.658 7.711 1.00 0.00 N ATOM 496 CA ALA A 35 -10.382 -5.042 8.056 1.00 0.00 C ATOM 497 C ALA A 35 -11.282 -5.658 6.983 1.00 0.00 C ATOM 498 O ALA A 35 -11.024 -6.764 6.511 1.00 0.00 O ATOM 499 CB ALA A 35 -11.009 -5.104 9.450 1.00 0.00 C ATOM 0 H ALA A 35 -10.392 -2.976 8.412 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.461 -5.624 8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.219 -6.142 9.709 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.318 -4.681 10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.938 -4.533 9.457 1.00 0.00 H new ATOM 505 N MET A 36 -12.321 -4.915 6.630 1.00 0.00 N ATOM 506 CA MET A 36 -13.261 -5.374 5.622 1.00 0.00 C ATOM 507 C MET A 36 -12.577 -5.522 4.261 1.00 0.00 C ATOM 508 O MET A 36 -12.753 -6.532 3.581 1.00 0.00 O ATOM 509 CB MET A 36 -14.415 -4.376 5.508 1.00 0.00 C ATOM 510 CG MET A 36 -14.877 -3.911 6.890 1.00 0.00 C ATOM 511 SD MET A 36 -16.620 -4.236 7.093 1.00 0.00 S ATOM 512 CE MET A 36 -16.553 -5.533 8.318 1.00 0.00 C ATOM 0 H MET A 36 -12.532 -3.998 7.024 1.00 0.00 H new ATOM 0 HA MET A 36 -13.641 -6.350 5.924 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.099 -3.516 4.918 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.248 -4.837 4.978 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.310 -4.427 7.665 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.681 -2.845 7.008 1.00 0.00 H new ATOM 0 HE1 MET A 36 -17.557 -5.733 8.692 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.147 -6.439 7.867 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.914 -5.221 9.144 1.00 0.00 H new ATOM 520 N LEU A 37 -11.812 -4.501 3.905 1.00 0.00 N ATOM 521 CA LEU A 37 -11.101 -4.505 2.638 1.00 0.00 C ATOM 522 C LEU A 37 -10.255 -5.775 2.537 1.00 0.00 C ATOM 523 O LEU A 37 -10.165 -6.382 1.470 1.00 0.00 O ATOM 524 CB LEU A 37 -10.295 -3.215 2.472 1.00 0.00 C ATOM 525 CG LEU A 37 -11.101 -1.958 2.136 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.340 -0.694 2.538 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.500 -1.942 0.659 1.00 0.00 C ATOM 0 H LEU A 37 -11.669 -3.665 4.472 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.805 -4.523 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.744 -3.033 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.557 -3.370 1.685 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.022 -1.977 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.935 0.184 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.150 -0.710 3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.392 -0.654 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.072 -1.039 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.603 -1.958 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.110 -2.818 0.437 1.00 0.00 H new ATOM 538 N GLN A 38 -9.656 -6.141 3.661 1.00 0.00 N ATOM 539 CA GLN A 38 -8.821 -7.329 3.712 1.00 0.00 C ATOM 540 C GLN A 38 -9.649 -8.575 3.392 1.00 0.00 C ATOM 541 O GLN A 38 -9.220 -9.428 2.617 1.00 0.00 O ATOM 542 CB GLN A 38 -8.136 -7.459 5.074 1.00 0.00 C ATOM 543 CG GLN A 38 -6.637 -7.718 4.912 1.00 0.00 C ATOM 544 CD GLN A 38 -6.218 -8.994 5.645 1.00 0.00 C ATOM 545 OE1 GLN A 38 -6.985 -9.603 6.372 1.00 0.00 O ATOM 546 NE2 GLN A 38 -4.962 -9.364 5.413 1.00 0.00 N ATOM 0 H GLN A 38 -9.733 -5.635 4.544 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.040 -7.233 2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.291 -6.547 5.651 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.591 -8.274 5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.392 -7.805 3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.074 -6.870 5.301 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.373 -8.808 4.793 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.588 -10.204 5.855 1.00 0.00 H new ATOM 553 N GLN A 39 -10.821 -8.640 4.006 1.00 0.00 N ATOM 554 CA GLN A 39 -11.714 -9.767 3.797 1.00 0.00 C ATOM 555 C GLN A 39 -12.113 -9.862 2.323 1.00 0.00 C ATOM 556 O GLN A 39 -11.975 -10.917 1.706 1.00 0.00 O ATOM 557 CB GLN A 39 -12.949 -9.663 4.694 1.00 0.00 C ATOM 558 CG GLN A 39 -13.261 -11.006 5.356 1.00 0.00 C ATOM 559 CD GLN A 39 -14.226 -10.827 6.530 1.00 0.00 C ATOM 560 OE1 GLN A 39 -15.412 -11.097 6.439 1.00 0.00 O ATOM 561 NE2 GLN A 39 -13.653 -10.359 7.635 1.00 0.00 N ATOM 0 H GLN A 39 -11.173 -7.930 4.649 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.184 -10.680 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.783 -8.906 5.460 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.805 -9.337 4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.697 -11.685 4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.337 -11.466 5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.654 -10.153 7.644 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.212 -10.206 8.474 1.00 0.00 H new ATOM 568 N LEU A 40 -12.598 -8.745 1.802 1.00 0.00 N ATOM 569 CA LEU A 40 -13.018 -8.689 0.412 1.00 0.00 C ATOM 570 C LEU A 40 -11.849 -9.100 -0.487 1.00 0.00 C ATOM 571 O LEU A 40 -12.023 -9.884 -1.418 1.00 0.00 O ATOM 572 CB LEU A 40 -13.593 -7.311 0.081 1.00 0.00 C ATOM 573 CG LEU A 40 -14.766 -6.847 0.948 1.00 0.00 C ATOM 574 CD1 LEU A 40 -15.102 -5.380 0.676 1.00 0.00 C ATOM 575 CD2 LEU A 40 -15.980 -7.758 0.759 1.00 0.00 C ATOM 0 H LEU A 40 -12.710 -7.872 2.317 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.826 -9.398 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.793 -6.576 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.916 -7.315 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.468 -6.920 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.939 -5.076 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.234 -4.760 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.373 -5.257 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.800 -7.407 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.289 -7.740 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.718 -8.777 1.042 1.00 0.00 H new ATOM 586 N GLU A 41 -10.684 -8.551 -0.175 1.00 0.00 N ATOM 587 CA GLU A 41 -9.487 -8.850 -0.943 1.00 0.00 C ATOM 588 C GLU A 41 -9.238 -10.359 -0.971 1.00 0.00 C ATOM 589 O GLU A 41 -9.028 -10.938 -2.036 1.00 0.00 O ATOM 590 CB GLU A 41 -8.275 -8.105 -0.381 1.00 0.00 C ATOM 591 CG GLU A 41 -7.018 -8.405 -1.200 1.00 0.00 C ATOM 592 CD GLU A 41 -5.856 -8.810 -0.291 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.777 -8.349 0.857 1.00 0.00 O ATOM 594 OE2 GLU A 41 -5.015 -9.635 -0.817 1.00 0.00 O ATOM 0 H GLU A 41 -10.544 -7.901 0.599 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.640 -8.507 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.469 -7.032 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.115 -8.395 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.225 -9.205 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.740 -7.526 -1.782 1.00 0.00 H new ATOM 600 N SER A 42 -9.270 -10.954 0.213 1.00 0.00 N ATOM 601 CA SER A 42 -9.051 -12.385 0.337 1.00 0.00 C ATOM 602 C SER A 42 -10.013 -13.144 -0.579 1.00 0.00 C ATOM 603 O SER A 42 -9.599 -14.038 -1.316 1.00 0.00 O ATOM 604 CB SER A 42 -9.224 -12.845 1.786 1.00 0.00 C ATOM 605 OG SER A 42 -8.433 -13.993 2.080 1.00 0.00 O ATOM 0 H SER A 42 -9.444 -10.471 1.094 1.00 0.00 H new ATOM 0 HA SER A 42 -8.026 -12.601 0.035 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.949 -12.033 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.274 -13.071 1.972 1.00 0.00 H new ATOM 0 HG SER A 42 -8.570 -14.254 3.015 1.00 0.00 H new ATOM 610 N MET A 43 -11.278 -12.760 -0.503 1.00 0.00 N ATOM 611 CA MET A 43 -12.302 -13.393 -1.317 1.00 0.00 C ATOM 612 C MET A 43 -12.030 -13.176 -2.807 1.00 0.00 C ATOM 613 O MET A 43 -12.007 -14.131 -3.583 1.00 0.00 O ATOM 614 CB MET A 43 -13.671 -12.811 -0.958 1.00 0.00 C ATOM 615 CG MET A 43 -14.168 -13.364 0.379 1.00 0.00 C ATOM 616 SD MET A 43 -15.925 -13.669 0.299 1.00 0.00 S ATOM 617 CE MET A 43 -16.353 -13.466 2.020 1.00 0.00 C ATOM 0 H MET A 43 -11.618 -12.019 0.110 1.00 0.00 H new ATOM 0 HA MET A 43 -12.288 -14.464 -1.117 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.605 -11.724 -0.904 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.389 -13.049 -1.743 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.641 -14.288 0.618 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.950 -12.656 1.178 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.424 -13.623 2.150 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.804 -14.192 2.620 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.093 -12.458 2.343 1.00 0.00 H new ATOM 625 N GLY A 44 -11.831 -11.915 -3.163 1.00 0.00 N ATOM 626 CA GLY A 44 -11.562 -11.562 -4.546 1.00 0.00 C ATOM 627 C GLY A 44 -12.696 -10.715 -5.126 1.00 0.00 C ATOM 628 O GLY A 44 -13.163 -10.972 -6.235 1.00 0.00 O ATOM 0 H GLY A 44 -11.851 -11.126 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.623 -11.011 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.440 -12.468 -5.139 1.00 0.00 H new ATOM 632 N LYS A 45 -13.106 -9.722 -4.351 1.00 0.00 N ATOM 633 CA LYS A 45 -14.177 -8.835 -4.774 1.00 0.00 C ATOM 634 C LYS A 45 -13.578 -7.511 -5.252 1.00 0.00 C ATOM 635 O LYS A 45 -13.762 -7.123 -6.404 1.00 0.00 O ATOM 636 CB LYS A 45 -15.212 -8.675 -3.658 1.00 0.00 C ATOM 637 CG LYS A 45 -15.358 -9.969 -2.855 1.00 0.00 C ATOM 638 CD LYS A 45 -16.012 -11.066 -3.697 1.00 0.00 C ATOM 639 CE LYS A 45 -16.925 -11.944 -2.839 1.00 0.00 C ATOM 640 NZ LYS A 45 -16.828 -13.360 -3.260 1.00 0.00 N ATOM 0 H LYS A 45 -12.716 -9.512 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.716 -9.264 -5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.914 -7.863 -2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.175 -8.399 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.378 -10.303 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.958 -9.783 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.589 -10.615 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.241 -11.681 -4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.647 -11.851 -1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.956 -11.602 -2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.374 -13.955 -2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.210 -13.463 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.832 -13.658 -3.250 1.00 0.00 H new ATOM 649 N ALA A 46 -12.873 -6.854 -4.342 1.00 0.00 N ATOM 650 CA ALA A 46 -12.246 -5.582 -4.657 1.00 0.00 C ATOM 651 C ALA A 46 -10.801 -5.825 -5.095 1.00 0.00 C ATOM 652 O ALA A 46 -10.310 -6.952 -5.032 1.00 0.00 O ATOM 653 CB ALA A 46 -12.339 -4.653 -3.445 1.00 0.00 C ATOM 0 H ALA A 46 -12.722 -7.179 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.763 -5.094 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.869 -3.699 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.386 -4.489 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.828 -5.109 -2.597 1.00 0.00 H new ATOM 659 N VAL A 47 -10.159 -4.751 -5.530 1.00 0.00 N ATOM 660 CA VAL A 47 -8.779 -4.833 -5.978 1.00 0.00 C ATOM 661 C VAL A 47 -7.968 -3.712 -5.326 1.00 0.00 C ATOM 662 O VAL A 47 -8.523 -2.689 -4.929 1.00 0.00 O ATOM 663 CB VAL A 47 -8.723 -4.801 -7.507 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.386 -6.043 -8.106 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.361 -3.521 -8.052 1.00 0.00 C ATOM 0 H VAL A 47 -10.569 -3.819 -5.582 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.332 -5.778 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.674 -4.805 -7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.333 -5.995 -9.194 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.868 -6.936 -7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.430 -6.084 -7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.308 -3.523 -9.141 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.404 -3.473 -7.739 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.826 -2.654 -7.665 1.00 0.00 H new ATOM 675 N ARG A 48 -6.666 -3.943 -5.237 1.00 0.00 N ATOM 676 CA ARG A 48 -5.772 -2.965 -4.640 1.00 0.00 C ATOM 677 C ARG A 48 -5.308 -1.957 -5.693 1.00 0.00 C ATOM 678 O ARG A 48 -4.986 -2.335 -6.819 1.00 0.00 O ATOM 679 CB ARG A 48 -4.549 -3.643 -4.019 1.00 0.00 C ATOM 680 CG ARG A 48 -3.867 -2.722 -3.006 1.00 0.00 C ATOM 681 CD ARG A 48 -3.787 -3.384 -1.629 1.00 0.00 C ATOM 682 NE ARG A 48 -2.539 -2.980 -0.944 1.00 0.00 N ATOM 683 CZ ARG A 48 -2.035 -3.605 0.141 1.00 0.00 C ATOM 684 NH1 ARG A 48 -2.669 -4.670 0.675 1.00 0.00 N ATOM 685 NH2 ARG A 48 -0.912 -3.158 0.672 1.00 0.00 N ATOM 0 H ARG A 48 -6.209 -4.793 -5.568 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.324 -2.448 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.852 -4.568 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.842 -3.914 -4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.864 -2.474 -3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.419 -1.785 -2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.650 -3.098 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.818 -4.468 -1.735 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.028 -2.179 -1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.536 -5.009 0.259 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.281 -5.136 1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.439 -2.352 0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.517 -3.618 1.492 1.00 0.00 H new ATOM 695 N ILE A 49 -5.287 -0.695 -5.291 1.00 0.00 N ATOM 696 CA ILE A 49 -4.867 0.369 -6.186 1.00 0.00 C ATOM 697 C ILE A 49 -3.600 1.025 -5.634 1.00 0.00 C ATOM 698 O ILE A 49 -3.395 1.064 -4.421 1.00 0.00 O ATOM 699 CB ILE A 49 -6.015 1.353 -6.424 1.00 0.00 C ATOM 700 CG1 ILE A 49 -7.208 0.655 -7.080 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.542 2.562 -7.234 1.00 0.00 C ATOM 702 CD1 ILE A 49 -6.914 0.327 -8.545 1.00 0.00 C ATOM 0 H ILE A 49 -5.554 -0.385 -4.357 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.615 -0.036 -7.166 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.352 1.725 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.441 -0.262 -6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.088 1.295 -7.016 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.377 3.245 -7.389 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.749 3.076 -6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.163 2.227 -8.200 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.778 -0.169 -8.987 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.706 1.248 -9.089 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.048 -0.333 -8.604 1.00 0.00 H new ATOM 713 N GLN A 50 -2.783 1.523 -6.549 1.00 0.00 N ATOM 714 CA GLN A 50 -1.541 2.175 -6.169 1.00 0.00 C ATOM 715 C GLN A 50 -1.577 3.654 -6.559 1.00 0.00 C ATOM 716 O GLN A 50 -2.227 4.027 -7.533 1.00 0.00 O ATOM 717 CB GLN A 50 -0.337 1.471 -6.799 1.00 0.00 C ATOM 718 CG GLN A 50 0.956 2.241 -6.520 1.00 0.00 C ATOM 719 CD GLN A 50 2.163 1.301 -6.511 1.00 0.00 C ATOM 720 OE1 GLN A 50 2.265 0.387 -5.710 1.00 0.00 O ATOM 721 NE2 GLN A 50 3.068 1.575 -7.446 1.00 0.00 N ATOM 0 H GLN A 50 -2.956 1.488 -7.554 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.434 2.107 -5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.255 0.459 -6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.486 1.381 -7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.096 3.011 -7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.880 2.750 -5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.920 2.356 -8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.910 1.004 -7.524 1.00 0.00 H new ATOM 728 N GLU A 51 -0.869 4.456 -5.777 1.00 0.00 N ATOM 729 CA GLU A 51 -0.812 5.886 -6.028 1.00 0.00 C ATOM 730 C GLU A 51 0.541 6.265 -6.633 1.00 0.00 C ATOM 731 O GLU A 51 1.473 5.462 -6.632 1.00 0.00 O ATOM 732 CB GLU A 51 -1.081 6.679 -4.747 1.00 0.00 C ATOM 733 CG GLU A 51 -2.524 7.185 -4.708 1.00 0.00 C ATOM 734 CD GLU A 51 -2.567 8.712 -4.623 1.00 0.00 C ATOM 735 OE1 GLU A 51 -2.719 9.268 -3.525 1.00 0.00 O ATOM 736 OE2 GLU A 51 -2.435 9.325 -5.750 1.00 0.00 O ATOM 0 H GLU A 51 -0.330 4.143 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.593 6.141 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.889 6.049 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.394 7.523 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.054 6.852 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.041 6.755 -3.850 1.00 0.00 H new ATOM 742 N GLU A 52 0.606 7.489 -7.136 1.00 0.00 N ATOM 743 CA GLU A 52 1.830 7.984 -7.744 1.00 0.00 C ATOM 744 C GLU A 52 3.044 7.553 -6.919 1.00 0.00 C ATOM 745 O GLU A 52 2.966 7.457 -5.695 1.00 0.00 O ATOM 746 CB GLU A 52 1.787 9.505 -7.902 1.00 0.00 C ATOM 747 CG GLU A 52 0.927 9.907 -9.102 1.00 0.00 C ATOM 748 CD GLU A 52 1.511 11.131 -9.810 1.00 0.00 C ATOM 749 OE1 GLU A 52 1.464 12.244 -9.265 1.00 0.00 O ATOM 750 OE2 GLU A 52 2.030 10.896 -10.967 1.00 0.00 O ATOM 0 H GLU A 52 -0.169 8.153 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 52 1.919 7.550 -8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.386 9.957 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.799 9.890 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.862 9.074 -9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.088 10.125 -8.770 1.00 0.00 H new ATOM 756 N PRO A 53 4.168 7.297 -7.641 1.00 0.00 N ATOM 757 CA PRO A 53 5.397 6.878 -6.989 1.00 0.00 C ATOM 758 C PRO A 53 6.075 8.057 -6.287 1.00 0.00 C ATOM 759 O PRO A 53 5.444 9.084 -6.041 1.00 0.00 O ATOM 760 CB PRO A 53 6.247 6.280 -8.099 1.00 0.00 C ATOM 761 CG PRO A 53 5.662 6.803 -9.400 1.00 0.00 C ATOM 762 CD PRO A 53 4.298 7.400 -9.092 1.00 0.00 C ATOM 0 HA PRO A 53 5.226 6.147 -6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.291 6.575 -7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.219 5.191 -8.068 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.318 7.555 -9.838 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.570 5.997 -10.128 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.236 8.437 -9.423 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.503 6.855 -9.601 1.00 0.00 H new ATOM 767 N ASP A 54 7.351 7.870 -5.985 1.00 0.00 N ATOM 768 CA ASP A 54 8.121 8.904 -5.316 1.00 0.00 C ATOM 769 C ASP A 54 9.388 9.194 -6.124 1.00 0.00 C ATOM 770 O ASP A 54 9.771 8.407 -6.988 1.00 0.00 O ATOM 771 CB ASP A 54 8.545 8.457 -3.916 1.00 0.00 C ATOM 772 CG ASP A 54 9.005 7.001 -3.813 1.00 0.00 C ATOM 773 OD1 ASP A 54 8.281 6.074 -4.207 1.00 0.00 O ATOM 774 OD2 ASP A 54 10.175 6.834 -3.296 1.00 0.00 O ATOM 0 H ASP A 54 7.871 7.017 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 54 7.494 9.792 -5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.354 9.103 -3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.708 8.607 -3.234 1.00 0.00 H new ATOM 779 N GLY A 55 10.003 10.325 -5.813 1.00 0.00 N ATOM 780 CA GLY A 55 11.219 10.729 -6.500 1.00 0.00 C ATOM 781 C GLY A 55 12.049 11.678 -5.633 1.00 0.00 C ATOM 782 O GLY A 55 11.619 12.071 -4.549 1.00 0.00 O ATOM 0 H GLY A 55 9.683 10.975 -5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.810 9.848 -6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.964 11.218 -7.440 1.00 0.00 H new ATOM 786 N CYS A 56 13.222 12.021 -6.143 1.00 0.00 N ATOM 787 CA CYS A 56 14.116 12.917 -5.430 1.00 0.00 C ATOM 788 C CYS A 56 15.259 13.304 -6.370 1.00 0.00 C ATOM 789 O CYS A 56 15.478 12.652 -7.389 1.00 0.00 O ATOM 790 CB CYS A 56 14.631 12.289 -4.133 1.00 0.00 C ATOM 791 SG CYS A 56 15.231 10.590 -4.456 1.00 0.00 S ATOM 0 H CYS A 56 13.575 11.694 -7.043 1.00 0.00 H new ATOM 0 HA CYS A 56 13.573 13.814 -5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 56 15.437 12.896 -3.720 1.00 0.00 H new ATOM 0 HB3 CYS A 56 13.835 12.267 -3.389 1.00 0.00 H new ATOM 0 HG CYS A 56 15.668 10.066 -3.349 1.00 0.00 H new ATOM 796 N LEU A 57 15.959 14.364 -5.993 1.00 0.00 N ATOM 797 CA LEU A 57 17.075 14.846 -6.790 1.00 0.00 C ATOM 798 C LEU A 57 18.388 14.480 -6.095 1.00 0.00 C ATOM 799 O LEU A 57 18.406 14.217 -4.893 1.00 0.00 O ATOM 800 CB LEU A 57 16.925 16.342 -7.072 1.00 0.00 C ATOM 801 CG LEU A 57 15.999 16.717 -8.232 1.00 0.00 C ATOM 802 CD1 LEU A 57 16.528 16.161 -9.556 1.00 0.00 C ATOM 803 CD2 LEU A 57 14.563 16.267 -7.954 1.00 0.00 C ATOM 0 H LEU A 57 15.775 14.903 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 57 17.084 14.360 -7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 57 16.557 16.827 -6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.914 16.754 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 57 15.984 17.803 -8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 57 15.852 16.441 -10.364 1.00 0.00 H new ATOM 0 HD12 LEU A 57 17.519 16.571 -9.753 1.00 0.00 H new ATOM 0 HD13 LEU A 57 16.590 15.074 -9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.926 16.545 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.540 15.185 -7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.200 16.750 -7.047 1.00 0.00 H new ATOM 814 N SER A 58 19.455 14.476 -6.880 1.00 0.00 N ATOM 815 CA SER A 58 20.769 14.147 -6.355 1.00 0.00 C ATOM 816 C SER A 58 21.820 14.268 -7.461 1.00 0.00 C ATOM 817 O SER A 58 21.657 13.704 -8.541 1.00 0.00 O ATOM 818 CB SER A 58 20.787 12.738 -5.759 1.00 0.00 C ATOM 819 OG SER A 58 20.882 12.761 -4.337 1.00 0.00 O ATOM 0 H SER A 58 19.436 14.695 -7.876 1.00 0.00 H new ATOM 0 HA SER A 58 21.005 14.853 -5.559 1.00 0.00 H new ATOM 0 HB2 SER A 58 19.881 12.208 -6.053 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.629 12.181 -6.170 1.00 0.00 H new ATOM 0 HG SER A 58 20.115 13.245 -3.966 1.00 0.00 H new ATOM 824 N GLY A 59 22.874 15.009 -7.152 1.00 0.00 N ATOM 825 CA GLY A 59 23.951 15.212 -8.106 1.00 0.00 C ATOM 826 C GLY A 59 24.716 13.910 -8.355 1.00 0.00 C ATOM 827 O GLY A 59 24.159 12.951 -8.888 1.00 0.00 O ATOM 0 H GLY A 59 23.005 15.476 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.544 15.584 -9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 59 24.635 15.974 -7.731 1.00 0.00 H new ATOM 831 N SER A 60 25.980 13.918 -7.958 1.00 0.00 N ATOM 832 CA SER A 60 26.826 12.750 -8.132 1.00 0.00 C ATOM 833 C SER A 60 26.964 12.002 -6.804 1.00 0.00 C ATOM 834 O SER A 60 27.854 12.300 -6.009 1.00 0.00 O ATOM 835 CB SER A 60 28.205 13.144 -8.665 1.00 0.00 C ATOM 836 OG SER A 60 28.445 12.616 -9.967 1.00 0.00 O ATOM 0 H SER A 60 26.439 14.715 -7.516 1.00 0.00 H new ATOM 0 HA SER A 60 26.357 12.093 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 60 28.286 14.231 -8.694 1.00 0.00 H new ATOM 0 HB3 SER A 60 28.974 12.785 -7.981 1.00 0.00 H new ATOM 0 HG SER A 60 29.335 12.891 -10.273 1.00 0.00 H new ATOM 841 N CYS A 61 26.070 11.045 -6.606 1.00 0.00 N ATOM 842 CA CYS A 61 26.081 10.251 -5.389 1.00 0.00 C ATOM 843 C CYS A 61 24.935 9.240 -5.464 1.00 0.00 C ATOM 844 O CYS A 61 23.975 9.438 -6.208 1.00 0.00 O ATOM 845 CB CYS A 61 25.985 11.130 -4.140 1.00 0.00 C ATOM 846 SG CYS A 61 27.623 11.252 -3.333 1.00 0.00 S ATOM 0 H CYS A 61 25.333 10.801 -7.268 1.00 0.00 H new ATOM 0 HA CYS A 61 27.029 9.719 -5.308 1.00 0.00 H new ATOM 0 HB2 CYS A 61 25.629 12.124 -4.411 1.00 0.00 H new ATOM 0 HB3 CYS A 61 25.258 10.710 -3.445 1.00 0.00 H new ATOM 0 HG CYS A 61 28.467 11.814 -4.147 1.00 0.00 H new ATOM 851 N LYS A 62 25.073 8.178 -4.683 1.00 0.00 N ATOM 852 CA LYS A 62 24.061 7.136 -4.652 1.00 0.00 C ATOM 853 C LYS A 62 23.687 6.838 -3.199 1.00 0.00 C ATOM 854 O LYS A 62 24.561 6.707 -2.344 1.00 0.00 O ATOM 855 CB LYS A 62 24.535 5.906 -5.430 1.00 0.00 C ATOM 856 CG LYS A 62 23.348 5.128 -6.001 1.00 0.00 C ATOM 857 CD LYS A 62 23.711 3.659 -6.223 1.00 0.00 C ATOM 858 CE LYS A 62 22.803 2.739 -5.405 1.00 0.00 C ATOM 859 NZ LYS A 62 22.306 1.623 -6.241 1.00 0.00 N ATOM 0 H LYS A 62 25.870 8.017 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 62 23.153 7.471 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 62 25.195 6.216 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 62 25.117 5.259 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 62 22.501 5.198 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 62 23.035 5.576 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 62 23.623 3.415 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 62 24.751 3.492 -5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 62 23.351 2.344 -4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 62 21.961 3.307 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.691 1.008 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 21.765 2.004 -7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 23.112 1.071 -6.598 1.00 0.00 H new ATOM 868 N SER A 63 22.386 6.739 -2.965 1.00 0.00 N ATOM 869 CA SER A 63 21.886 6.459 -1.630 1.00 0.00 C ATOM 870 C SER A 63 20.373 6.231 -1.676 1.00 0.00 C ATOM 871 O SER A 63 19.621 7.114 -2.085 1.00 0.00 O ATOM 872 CB SER A 63 22.222 7.598 -0.665 1.00 0.00 C ATOM 873 OG SER A 63 23.304 7.262 0.199 1.00 0.00 O ATOM 0 H SER A 63 21.664 6.848 -3.677 1.00 0.00 H new ATOM 0 HA SER A 63 22.373 5.555 -1.265 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.476 8.492 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.342 7.839 -0.068 1.00 0.00 H new ATOM 0 HG SER A 63 24.076 6.984 -0.337 1.00 0.00 H new ATOM 878 N CYS A 64 19.973 5.043 -1.249 1.00 0.00 N ATOM 879 CA CYS A 64 18.564 4.688 -1.236 1.00 0.00 C ATOM 880 C CYS A 64 18.139 4.460 0.216 1.00 0.00 C ATOM 881 O CYS A 64 18.984 4.299 1.095 1.00 0.00 O ATOM 882 CB CYS A 64 18.280 3.466 -2.113 1.00 0.00 C ATOM 883 SG CYS A 64 17.736 4.002 -3.776 1.00 0.00 S ATOM 0 H CYS A 64 20.600 4.314 -0.909 1.00 0.00 H new ATOM 0 HA CYS A 64 17.977 5.502 -1.661 1.00 0.00 H new ATOM 0 HB2 CYS A 64 19.176 2.851 -2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 64 17.510 2.848 -1.651 1.00 0.00 H new ATOM 0 HG CYS A 64 17.500 2.957 -4.513 1.00 0.00 H new ATOM 888 N PRO A 65 16.796 4.453 0.427 1.00 0.00 N ATOM 889 CA PRO A 65 16.249 4.247 1.758 1.00 0.00 C ATOM 890 C PRO A 65 16.357 2.779 2.174 1.00 0.00 C ATOM 891 O PRO A 65 17.127 2.019 1.588 1.00 0.00 O ATOM 892 CB PRO A 65 14.812 4.736 1.672 1.00 0.00 C ATOM 893 CG PRO A 65 14.468 4.763 0.192 1.00 0.00 C ATOM 894 CD PRO A 65 15.766 4.640 -0.590 1.00 0.00 C ATOM 0 HA PRO A 65 16.796 4.792 2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.141 4.072 2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 65 14.710 5.727 2.115 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.793 3.945 -0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.954 5.690 -0.064 1.00 0.00 H new ATOM 0 HD2 PRO A 65 15.734 3.797 -1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 65 15.955 5.533 -1.186 1.00 0.00 H new ATOM 899 N GLU A 66 15.574 2.424 3.182 1.00 0.00 N ATOM 900 CA GLU A 66 15.572 1.060 3.684 1.00 0.00 C ATOM 901 C GLU A 66 14.174 0.451 3.562 1.00 0.00 C ATOM 902 O GLU A 66 13.577 0.053 4.560 1.00 0.00 O ATOM 903 CB GLU A 66 16.069 1.007 5.130 1.00 0.00 C ATOM 904 CG GLU A 66 15.130 1.777 6.061 1.00 0.00 C ATOM 905 CD GLU A 66 14.648 0.889 7.211 1.00 0.00 C ATOM 906 OE1 GLU A 66 15.465 0.219 7.860 1.00 0.00 O ATOM 907 OE2 GLU A 66 13.376 0.912 7.421 1.00 0.00 O ATOM 0 H GLU A 66 14.936 3.057 3.665 1.00 0.00 H new ATOM 0 HA GLU A 66 16.258 0.470 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.140 -0.031 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.072 1.429 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.645 2.650 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.273 2.144 5.496 1.00 0.00 H new ATOM 913 N GLY A 67 13.692 0.399 2.328 1.00 0.00 N ATOM 914 CA GLY A 67 12.375 -0.154 2.063 1.00 0.00 C ATOM 915 C GLY A 67 11.279 0.870 2.362 1.00 0.00 C ATOM 916 O GLY A 67 10.633 1.380 1.448 1.00 0.00 O ATOM 0 H GLY A 67 14.190 0.731 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.311 -0.466 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.221 -1.045 2.673 1.00 0.00 H new ATOM 920 N LYS A 68 11.103 1.142 3.647 1.00 0.00 N ATOM 921 CA LYS A 68 10.097 2.097 4.079 1.00 0.00 C ATOM 922 C LYS A 68 8.715 1.611 3.636 1.00 0.00 C ATOM 923 O LYS A 68 8.607 0.705 2.811 1.00 0.00 O ATOM 924 CB LYS A 68 10.443 3.502 3.582 1.00 0.00 C ATOM 925 CG LYS A 68 11.604 4.096 4.382 1.00 0.00 C ATOM 926 CD LYS A 68 11.216 5.444 4.994 1.00 0.00 C ATOM 927 CE LYS A 68 10.261 5.255 6.174 1.00 0.00 C ATOM 928 NZ LYS A 68 9.596 6.534 6.511 1.00 0.00 N ATOM 0 H LYS A 68 11.640 0.717 4.403 1.00 0.00 H new ATOM 0 HA LYS A 68 10.078 2.164 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.707 3.463 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.569 4.148 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.897 3.405 5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.470 4.223 3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.112 5.968 5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.744 6.069 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.512 4.503 5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.811 4.885 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.951 6.389 7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.314 7.242 6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.055 6.871 5.689 1.00 0.00 H new ATOM 937 N ALA A 69 7.693 2.236 4.202 1.00 0.00 N ATOM 938 CA ALA A 69 6.323 1.878 3.875 1.00 0.00 C ATOM 939 C ALA A 69 6.106 2.032 2.369 1.00 0.00 C ATOM 940 O ALA A 69 6.916 2.653 1.681 1.00 0.00 O ATOM 941 CB ALA A 69 5.361 2.741 4.694 1.00 0.00 C ATOM 0 H ALA A 69 7.786 2.988 4.885 1.00 0.00 H new ATOM 0 HA ALA A 69 6.126 0.837 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.333 2.473 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.536 2.573 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.527 3.793 4.461 1.00 0.00 H new ATOM 947 N CYS A 70 5.009 1.456 1.900 1.00 0.00 N ATOM 948 CA CYS A 70 4.675 1.521 0.487 1.00 0.00 C ATOM 949 C CYS A 70 3.746 2.717 0.267 1.00 0.00 C ATOM 950 O CYS A 70 3.178 3.249 1.220 1.00 0.00 O ATOM 951 CB CYS A 70 4.051 0.215 -0.008 1.00 0.00 C ATOM 952 SG CYS A 70 5.340 -1.075 -0.163 1.00 0.00 S ATOM 0 H CYS A 70 4.340 0.942 2.473 1.00 0.00 H new ATOM 0 HA CYS A 70 5.585 1.656 -0.098 1.00 0.00 H new ATOM 0 HB2 CYS A 70 3.277 -0.114 0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 70 3.568 0.376 -0.972 1.00 0.00 H new ATOM 0 HG CYS A 70 4.799 -2.181 -0.582 1.00 0.00 H new ATOM 957 N LEU A 71 3.621 3.104 -0.993 1.00 0.00 N ATOM 958 CA LEU A 71 2.771 4.227 -1.350 1.00 0.00 C ATOM 959 C LEU A 71 1.367 3.998 -0.785 1.00 0.00 C ATOM 960 O LEU A 71 1.003 2.871 -0.455 1.00 0.00 O ATOM 961 CB LEU A 71 2.794 4.458 -2.862 1.00 0.00 C ATOM 962 CG LEU A 71 3.953 5.305 -3.393 1.00 0.00 C ATOM 963 CD1 LEU A 71 3.908 6.720 -2.815 1.00 0.00 C ATOM 964 CD2 LEU A 71 5.297 4.621 -3.131 1.00 0.00 C ATOM 0 H LEU A 71 4.094 2.660 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 71 3.149 5.147 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.822 3.488 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.858 4.936 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 71 3.843 5.395 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.742 7.300 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.969 7.198 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.980 6.672 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.104 5.244 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.430 4.480 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.315 3.652 -3.630 1.00 0.00 H new ATOM 975 N ARG A 72 0.617 5.086 -0.691 1.00 0.00 N ATOM 976 CA ARG A 72 -0.738 5.018 -0.171 1.00 0.00 C ATOM 977 C ARG A 72 -1.621 4.182 -1.100 1.00 0.00 C ATOM 978 O ARG A 72 -2.267 4.719 -1.998 1.00 0.00 O ATOM 979 CB ARG A 72 -1.343 6.416 -0.026 1.00 0.00 C ATOM 980 CG ARG A 72 -1.306 6.881 1.431 1.00 0.00 C ATOM 981 CD ARG A 72 -2.708 7.238 1.929 1.00 0.00 C ATOM 982 NE ARG A 72 -2.712 7.331 3.406 1.00 0.00 N ATOM 983 CZ ARG A 72 -2.267 8.401 4.099 1.00 0.00 C ATOM 984 NH1 ARG A 72 -1.777 9.480 3.453 1.00 0.00 N ATOM 985 NH2 ARG A 72 -2.318 8.375 5.418 1.00 0.00 N ATOM 0 H ARG A 72 0.922 6.020 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.693 4.550 0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.793 7.120 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.373 6.409 -0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.883 6.095 2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.652 7.748 1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.026 8.186 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.422 6.482 1.602 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.074 6.537 3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.741 9.491 2.434 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.443 10.284 3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.689 7.555 5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.986 9.175 5.957 1.00 0.00 H new ATOM 995 N GLU A 73 -1.620 2.881 -0.851 1.00 0.00 N ATOM 996 CA GLU A 73 -2.413 1.965 -1.653 1.00 0.00 C ATOM 997 C GLU A 73 -3.902 2.286 -1.510 1.00 0.00 C ATOM 998 O GLU A 73 -4.403 2.438 -0.397 1.00 0.00 O ATOM 999 CB GLU A 73 -2.126 0.512 -1.271 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.631 0.202 -1.374 1.00 0.00 C ATOM 1001 CD GLU A 73 -0.202 0.052 -2.835 1.00 0.00 C ATOM 1002 OE1 GLU A 73 0.531 0.905 -3.357 1.00 0.00 O ATOM 1003 OE2 GLU A 73 -0.658 -0.997 -3.432 1.00 0.00 O ATOM 0 H GLU A 73 -1.083 2.439 -0.105 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.133 2.093 -2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.470 0.325 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.685 -0.157 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.057 1.000 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.408 -0.716 -0.830 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.567 2.380 -2.652 1.00 0.00 N ATOM 1010 CA TRP A 74 -5.989 2.680 -2.667 1.00 0.00 C ATOM 1011 C TRP A 74 -6.747 1.366 -2.863 1.00 0.00 C ATOM 1012 O TRP A 74 -6.142 0.330 -3.134 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.317 3.725 -3.736 1.00 0.00 C ATOM 1014 CG TRP A 74 -5.949 5.156 -3.341 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.599 5.614 -2.131 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.907 6.305 -4.213 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.336 6.969 -2.160 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.530 7.402 -3.466 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.179 6.414 -5.589 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.390 8.686 -4.006 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -6.036 7.704 -6.113 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.657 8.818 -5.374 1.00 0.00 C ATOM 0 H TRP A 74 -4.148 2.254 -3.573 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.300 3.123 -1.721 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.792 3.466 -4.655 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.384 3.683 -3.956 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.531 5.000 -1.245 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.052 7.546 -1.368 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.475 5.569 -6.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.092 9.529 -3.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.234 7.843 -7.165 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.569 9.782 -5.853 1.00 0.00 H new ATOM 1032 N TRP A 75 -8.062 1.451 -2.718 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.909 0.282 -2.875 1.00 0.00 C ATOM 1034 C TRP A 75 -9.994 0.619 -3.900 1.00 0.00 C ATOM 1035 O TRP A 75 -10.400 1.773 -4.023 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.479 -0.168 -1.528 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.427 -0.707 -0.556 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.764 -0.037 0.397 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.940 -2.063 -0.481 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.890 -0.859 1.078 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -7.000 -2.131 0.527 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.283 -3.196 -1.241 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.325 -3.309 0.868 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.599 -4.366 -0.887 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.650 -4.450 0.125 1.00 0.00 C ATOM 0 H TRP A 75 -8.561 2.312 -2.493 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.331 -0.566 -3.244 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -9.992 0.674 -1.062 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.228 -0.941 -1.702 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.897 1.014 0.606 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -6.276 -0.584 1.845 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -9.015 -3.166 -2.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.593 -3.336 1.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.825 -5.266 -1.439 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.165 -5.392 0.337 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.433 -0.411 -4.610 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.463 -0.238 -5.620 1.00 0.00 C ATOM 1057 C ALA A 76 -12.197 -1.565 -5.825 1.00 0.00 C ATOM 1058 O ALA A 76 -11.866 -2.566 -5.191 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.829 0.283 -6.911 1.00 0.00 C ATOM 0 H ALA A 76 -10.094 -1.367 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.198 0.499 -5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.601 0.413 -7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.345 1.241 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.088 -0.433 -7.267 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.180 -1.530 -6.713 1.00 0.00 N ATOM 1066 CA LEU A 77 -13.963 -2.717 -7.010 1.00 0.00 C ATOM 1067 C LEU A 77 -13.356 -3.435 -8.217 1.00 0.00 C ATOM 1068 O LEU A 77 -12.579 -2.847 -8.967 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.439 -2.354 -7.189 1.00 0.00 C ATOM 1070 CG LEU A 77 -16.034 -1.425 -6.129 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.433 -0.956 -6.534 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -16.029 -2.091 -4.751 1.00 0.00 C ATOM 0 H LEU A 77 -13.452 -0.698 -7.236 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.929 -3.415 -6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.562 -1.885 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -16.020 -3.276 -7.203 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.404 -0.538 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.833 -0.297 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.376 -0.416 -7.479 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.088 -1.820 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.457 -1.409 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.622 -3.005 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.005 -2.333 -4.468 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.733 -4.696 -8.366 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.236 -5.501 -9.469 1.00 0.00 C ATOM 1085 C ARG A 78 -14.169 -5.381 -10.676 1.00 0.00 C ATOM 1086 O ARG A 78 -14.067 -4.432 -11.452 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.118 -6.972 -9.068 1.00 0.00 C ATOM 1088 CG ARG A 78 -12.685 -7.832 -10.258 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.207 -7.610 -10.585 1.00 0.00 C ATOM 1090 NE ARG A 78 -10.946 -7.949 -12.002 1.00 0.00 N ATOM 1091 CZ ARG A 78 -9.862 -7.535 -12.692 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -8.927 -6.762 -12.100 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -9.730 -7.897 -13.954 1.00 0.00 N ATOM 0 H ARG A 78 -14.377 -5.181 -7.741 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.246 -5.128 -9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.396 -7.075 -8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.076 -7.327 -8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.857 -8.884 -10.033 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.294 -7.588 -11.128 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.936 -6.571 -10.395 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.586 -8.226 -9.935 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.628 -8.532 -12.488 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.036 -6.486 -11.124 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.111 -6.454 -12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.441 -8.481 -14.394 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.917 -7.593 -14.489 1.00 0.00 H new TER 1103 ARG A 78