USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -163:sc= -0.084 (180deg=-0.474) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.13 (180deg=0.959) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= -0.0971 (180deg=-0.0991) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -133:sc= 1.23 (180deg=-0.00845) USER MOD Single : A 24 GLN : amide:sc= 0.427 X(o=0.43,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 71:sc= 0.67 USER MOD Single : A 34 ASN : amide:sc= 0.331 X(o=0.33,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0.267 K(o=0.27,f=-0.31) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0101) USER MOD Single : A 50 MET CE :methyl 156:sc= -0.0299 (180deg=-0.709) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -138:sc= 0.605 (180deg=0.0284) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= -0.0338 (180deg=-0.267) USER MOD Single : A 58 LYS NZ :NH3+ -114:sc= -0.263 (180deg=-4.25!) USER MOD Single : A 60 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.027) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= 0.946 (180deg=0.832) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.5) USER MOD Single : A 73 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.18) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 76 HIS : no HD1:sc= -0.401 K(o=-0.4,f=0.1) USER MOD Single : A 77 HIS : no HD1:sc= -0.0345 X(o=-0.035,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.399 14.159 -4.791 1.00 53.30 N ATOM 2 CA MET A 1 0.774 12.831 -4.863 1.00 44.44 C ATOM 3 C MET A 1 1.818 11.803 -5.324 1.00 73.21 C ATOM 4 O MET A 1 2.078 11.655 -6.526 1.00 34.02 O ATOM 5 CB MET A 1 -0.452 12.874 -5.811 1.00 74.20 C ATOM 6 CG MET A 1 -1.212 11.550 -5.955 1.00 34.11 C ATOM 7 SD MET A 1 -2.655 11.692 -7.034 1.00 63.34 S ATOM 8 CE MET A 1 -3.708 12.809 -6.101 1.00 61.44 C ATOM 0 H1 MET A 1 0.660 14.888 -4.731 1.00 53.30 H new ATOM 0 H2 MET A 1 2.006 14.212 -3.948 1.00 53.30 H new ATOM 0 H3 MET A 1 1.974 14.319 -5.643 1.00 53.30 H new ATOM 0 HA MET A 1 0.415 12.532 -3.878 1.00 44.44 H new ATOM 0 HB2 MET A 1 -1.144 13.634 -5.450 1.00 74.20 H new ATOM 0 HB3 MET A 1 -0.117 13.191 -6.798 1.00 74.20 H new ATOM 0 HG2 MET A 1 -0.539 10.790 -6.352 1.00 34.11 H new ATOM 0 HG3 MET A 1 -1.531 11.209 -4.970 1.00 34.11 H new ATOM 0 HE1 MET A 1 -4.728 12.750 -6.481 1.00 61.44 H new ATOM 0 HE2 MET A 1 -3.696 12.526 -5.048 1.00 61.44 H new ATOM 0 HE3 MET A 1 -3.340 13.829 -6.207 1.00 61.44 H new ATOM 20 N VAL A 2 2.462 11.147 -4.342 1.00 30.35 N ATOM 21 CA VAL A 2 3.418 10.059 -4.580 1.00 11.53 C ATOM 22 C VAL A 2 2.632 8.786 -4.931 1.00 3.25 C ATOM 23 O VAL A 2 1.875 8.274 -4.098 1.00 32.22 O ATOM 24 CB VAL A 2 4.338 9.813 -3.318 1.00 23.24 C ATOM 25 CG1 VAL A 2 5.370 8.682 -3.579 1.00 14.33 C ATOM 26 CG2 VAL A 2 5.037 11.125 -2.887 1.00 13.34 C ATOM 0 H VAL A 2 2.330 11.362 -3.354 1.00 30.35 H new ATOM 0 HA VAL A 2 4.074 10.333 -5.406 1.00 11.53 H new ATOM 0 HB VAL A 2 3.700 9.485 -2.497 1.00 23.24 H new ATOM 0 HG11 VAL A 2 5.986 8.539 -2.691 1.00 14.33 H new ATOM 0 HG12 VAL A 2 4.844 7.755 -3.808 1.00 14.33 H new ATOM 0 HG13 VAL A 2 6.005 8.956 -4.421 1.00 14.33 H new ATOM 0 HG21 VAL A 2 5.665 10.934 -2.017 1.00 13.34 H new ATOM 0 HG22 VAL A 2 5.654 11.495 -3.706 1.00 13.34 H new ATOM 0 HG23 VAL A 2 4.285 11.872 -2.634 1.00 13.34 H new ATOM 36 N ASP A 3 2.793 8.309 -6.172 1.00 30.03 N ATOM 37 CA ASP A 3 2.069 7.132 -6.674 1.00 70.44 C ATOM 38 C ASP A 3 2.826 5.857 -6.274 1.00 53.21 C ATOM 39 O ASP A 3 3.921 5.582 -6.785 1.00 54.22 O ATOM 40 CB ASP A 3 1.889 7.199 -8.210 1.00 41.23 C ATOM 41 CG ASP A 3 1.199 5.943 -8.799 1.00 31.32 C ATOM 42 OD1 ASP A 3 0.020 5.681 -8.469 1.00 25.31 O ATOM 43 OD2 ASP A 3 1.831 5.217 -9.601 1.00 11.34 O ATOM 0 H ASP A 3 3.426 8.726 -6.855 1.00 30.03 H new ATOM 0 HA ASP A 3 1.075 7.116 -6.227 1.00 70.44 H new ATOM 0 HB2 ASP A 3 1.300 8.081 -8.462 1.00 41.23 H new ATOM 0 HB3 ASP A 3 2.865 7.323 -8.679 1.00 41.23 H new ATOM 48 N LEU A 4 2.243 5.118 -5.328 1.00 1.01 N ATOM 49 CA LEU A 4 2.784 3.852 -4.836 1.00 4.54 C ATOM 50 C LEU A 4 1.998 2.709 -5.493 1.00 24.21 C ATOM 51 O LEU A 4 0.809 2.541 -5.216 1.00 4.25 O ATOM 52 CB LEU A 4 2.634 3.798 -3.284 1.00 31.31 C ATOM 53 CG LEU A 4 3.251 4.999 -2.493 1.00 23.03 C ATOM 54 CD1 LEU A 4 2.907 4.916 -0.988 1.00 53.40 C ATOM 55 CD2 LEU A 4 4.771 5.080 -2.718 1.00 21.33 C ATOM 0 H LEU A 4 1.369 5.387 -4.876 1.00 1.01 H new ATOM 0 HA LEU A 4 3.841 3.758 -5.085 1.00 4.54 H new ATOM 0 HB2 LEU A 4 1.573 3.737 -3.043 1.00 31.31 H new ATOM 0 HB3 LEU A 4 3.095 2.878 -2.926 1.00 31.31 H new ATOM 0 HG LEU A 4 2.808 5.917 -2.878 1.00 23.03 H new ATOM 0 HD11 LEU A 4 3.350 5.764 -0.466 1.00 53.40 H new ATOM 0 HD12 LEU A 4 1.825 4.936 -0.860 1.00 53.40 H new ATOM 0 HD13 LEU A 4 3.304 3.989 -0.575 1.00 53.40 H new ATOM 0 HD21 LEU A 4 5.177 5.922 -2.158 1.00 21.33 H new ATOM 0 HD22 LEU A 4 5.239 4.157 -2.376 1.00 21.33 H new ATOM 0 HD23 LEU A 4 4.975 5.218 -3.780 1.00 21.33 H new ATOM 67 N LYS A 5 2.644 1.962 -6.390 1.00 2.45 N ATOM 68 CA LYS A 5 2.053 0.768 -7.017 1.00 40.41 C ATOM 69 C LYS A 5 2.808 -0.469 -6.498 1.00 24.20 C ATOM 70 O LYS A 5 3.988 -0.651 -6.810 1.00 3.52 O ATOM 71 CB LYS A 5 2.153 0.896 -8.562 1.00 1.25 C ATOM 72 CG LYS A 5 1.418 -0.202 -9.366 1.00 35.41 C ATOM 73 CD LYS A 5 1.599 -0.031 -10.899 1.00 11.24 C ATOM 74 CE LYS A 5 0.997 -1.189 -11.714 1.00 44.42 C ATOM 75 NZ LYS A 5 1.754 -2.458 -11.545 1.00 54.24 N ATOM 0 H LYS A 5 3.593 2.164 -6.706 1.00 2.45 H new ATOM 0 HA LYS A 5 0.998 0.669 -6.762 1.00 40.41 H new ATOM 0 HB2 LYS A 5 1.754 1.867 -8.856 1.00 1.25 H new ATOM 0 HB3 LYS A 5 3.206 0.886 -8.843 1.00 1.25 H new ATOM 0 HG2 LYS A 5 1.791 -1.181 -9.065 1.00 35.41 H new ATOM 0 HG3 LYS A 5 0.356 -0.178 -9.123 1.00 35.41 H new ATOM 0 HD2 LYS A 5 1.134 0.904 -11.211 1.00 11.24 H new ATOM 0 HD3 LYS A 5 2.662 0.050 -11.126 1.00 11.24 H new ATOM 0 HE2 LYS A 5 -0.038 -1.344 -11.409 1.00 44.42 H new ATOM 0 HE3 LYS A 5 0.981 -0.917 -12.769 1.00 44.42 H new ATOM 0 HZ1 LYS A 5 1.299 -3.210 -12.100 1.00 54.24 H new ATOM 0 HZ2 LYS A 5 2.731 -2.326 -11.876 1.00 54.24 H new ATOM 0 HZ3 LYS A 5 1.762 -2.726 -10.540 1.00 54.24 H new ATOM 89 N ILE A 6 2.140 -1.295 -5.677 1.00 72.24 N ATOM 90 CA ILE A 6 2.772 -2.443 -5.001 1.00 35.41 C ATOM 91 C ILE A 6 2.284 -3.749 -5.651 1.00 54.20 C ATOM 92 O ILE A 6 1.084 -3.988 -5.690 1.00 74.05 O ATOM 93 CB ILE A 6 2.443 -2.511 -3.448 1.00 24.52 C ATOM 94 CG1 ILE A 6 2.870 -1.204 -2.675 1.00 72.51 C ATOM 95 CG2 ILE A 6 3.114 -3.768 -2.819 1.00 70.44 C ATOM 96 CD1 ILE A 6 1.940 -0.004 -2.828 1.00 2.13 C ATOM 0 H ILE A 6 1.149 -1.188 -5.462 1.00 72.24 H new ATOM 0 HA ILE A 6 3.849 -2.315 -5.110 1.00 35.41 H new ATOM 0 HB ILE A 6 1.360 -2.588 -3.348 1.00 24.52 H new ATOM 0 HG12 ILE A 6 2.951 -1.443 -1.615 1.00 72.51 H new ATOM 0 HG13 ILE A 6 3.865 -0.914 -3.014 1.00 72.51 H new ATOM 0 HG21 ILE A 6 2.884 -3.809 -1.754 1.00 70.44 H new ATOM 0 HG22 ILE A 6 2.734 -4.666 -3.307 1.00 70.44 H new ATOM 0 HG23 ILE A 6 4.194 -3.711 -2.955 1.00 70.44 H new ATOM 0 HD11 ILE A 6 2.332 0.836 -2.254 1.00 2.13 H new ATOM 0 HD12 ILE A 6 1.875 0.274 -3.880 1.00 2.13 H new ATOM 0 HD13 ILE A 6 0.948 -0.263 -2.459 1.00 2.13 H new ATOM 108 N ASP A 7 3.209 -4.590 -6.132 1.00 3.31 N ATOM 109 CA ASP A 7 2.872 -5.944 -6.620 1.00 51.14 C ATOM 110 C ASP A 7 2.424 -6.803 -5.432 1.00 3.01 C ATOM 111 O ASP A 7 3.172 -6.928 -4.459 1.00 61.12 O ATOM 112 CB ASP A 7 4.097 -6.617 -7.288 1.00 21.32 C ATOM 113 CG ASP A 7 4.592 -5.891 -8.540 1.00 54.32 C ATOM 114 OD1 ASP A 7 5.245 -4.841 -8.393 1.00 64.05 O ATOM 115 OD2 ASP A 7 4.343 -6.366 -9.673 1.00 11.05 O ATOM 0 H ASP A 7 4.201 -4.360 -6.196 1.00 3.31 H new ATOM 0 HA ASP A 7 2.075 -5.858 -7.359 1.00 51.14 H new ATOM 0 HB2 ASP A 7 4.910 -6.670 -6.564 1.00 21.32 H new ATOM 0 HB3 ASP A 7 3.838 -7.642 -7.552 1.00 21.32 H new ATOM 120 N VAL A 8 1.223 -7.389 -5.512 1.00 60.35 N ATOM 121 CA VAL A 8 0.688 -8.290 -4.474 1.00 51.33 C ATOM 122 C VAL A 8 0.289 -9.618 -5.136 1.00 0.21 C ATOM 123 O VAL A 8 -0.490 -9.634 -6.097 1.00 10.24 O ATOM 124 CB VAL A 8 -0.521 -7.653 -3.679 1.00 1.34 C ATOM 125 CG1 VAL A 8 -0.029 -6.549 -2.712 1.00 73.41 C ATOM 126 CG2 VAL A 8 -1.608 -7.110 -4.633 1.00 60.01 C ATOM 0 H VAL A 8 0.590 -7.253 -6.300 1.00 60.35 H new ATOM 0 HA VAL A 8 1.466 -8.466 -3.731 1.00 51.33 H new ATOM 0 HB VAL A 8 -0.975 -8.446 -3.085 1.00 1.34 H new ATOM 0 HG11 VAL A 8 -0.880 -6.127 -2.178 1.00 73.41 H new ATOM 0 HG12 VAL A 8 0.672 -6.978 -1.996 1.00 73.41 H new ATOM 0 HG13 VAL A 8 0.468 -5.763 -3.280 1.00 73.41 H new ATOM 0 HG21 VAL A 8 -2.422 -6.680 -4.050 1.00 60.01 H new ATOM 0 HG22 VAL A 8 -1.177 -6.342 -5.276 1.00 60.01 H new ATOM 0 HG23 VAL A 8 -1.992 -7.924 -5.248 1.00 60.01 H new ATOM 136 N SER A 9 0.858 -10.723 -4.637 1.00 73.25 N ATOM 137 CA SER A 9 0.667 -12.070 -5.208 1.00 22.42 C ATOM 138 C SER A 9 -0.694 -12.651 -4.807 1.00 22.34 C ATOM 139 O SER A 9 -1.325 -13.389 -5.575 1.00 11.54 O ATOM 140 CB SER A 9 1.810 -12.999 -4.733 1.00 44.34 C ATOM 141 OG SER A 9 3.078 -12.480 -5.105 1.00 51.12 O ATOM 0 H SER A 9 1.469 -10.711 -3.820 1.00 73.25 H new ATOM 0 HA SER A 9 0.689 -11.995 -6.295 1.00 22.42 H new ATOM 0 HB2 SER A 9 1.764 -13.113 -3.650 1.00 44.34 H new ATOM 0 HB3 SER A 9 1.679 -13.992 -5.164 1.00 44.34 H new ATOM 0 HG SER A 9 3.783 -13.084 -4.792 1.00 51.12 H new ATOM 147 N ASP A 10 -1.143 -12.287 -3.602 1.00 42.05 N ATOM 148 CA ASP A 10 -2.342 -12.864 -2.978 1.00 32.11 C ATOM 149 C ASP A 10 -3.410 -11.776 -2.785 1.00 0.20 C ATOM 150 O ASP A 10 -3.081 -10.588 -2.659 1.00 11.44 O ATOM 151 CB ASP A 10 -1.932 -13.517 -1.634 1.00 25.03 C ATOM 152 CG ASP A 10 -3.079 -14.249 -0.928 1.00 54.04 C ATOM 153 OD1 ASP A 10 -3.367 -15.407 -1.290 1.00 23.13 O ATOM 154 OD2 ASP A 10 -3.709 -13.670 -0.022 1.00 13.11 O ATOM 0 H ASP A 10 -0.684 -11.580 -3.027 1.00 42.05 H new ATOM 0 HA ASP A 10 -2.777 -13.630 -3.619 1.00 32.11 H new ATOM 0 HB2 ASP A 10 -1.121 -14.222 -1.816 1.00 25.03 H new ATOM 0 HB3 ASP A 10 -1.542 -12.746 -0.970 1.00 25.03 H new ATOM 159 N ASP A 11 -4.690 -12.194 -2.761 1.00 21.22 N ATOM 160 CA ASP A 11 -5.847 -11.273 -2.746 1.00 3.13 C ATOM 161 C ASP A 11 -6.152 -10.828 -1.315 1.00 21.05 C ATOM 162 O ASP A 11 -6.411 -9.656 -1.077 1.00 4.42 O ATOM 163 CB ASP A 11 -7.091 -11.936 -3.391 1.00 3.10 C ATOM 164 CG ASP A 11 -6.827 -12.366 -4.842 1.00 5.31 C ATOM 165 OD1 ASP A 11 -7.016 -11.544 -5.762 1.00 50.41 O ATOM 166 OD2 ASP A 11 -6.423 -13.527 -5.069 1.00 12.14 O ATOM 0 H ASP A 11 -4.953 -13.179 -2.751 1.00 21.22 H new ATOM 0 HA ASP A 11 -5.593 -10.393 -3.336 1.00 3.13 H new ATOM 0 HB2 ASP A 11 -7.384 -12.806 -2.803 1.00 3.10 H new ATOM 0 HB3 ASP A 11 -7.928 -11.238 -3.366 1.00 3.10 H new ATOM 171 N GLU A 12 -6.099 -11.789 -0.371 1.00 3.04 N ATOM 172 CA GLU A 12 -6.261 -11.515 1.073 1.00 21.13 C ATOM 173 C GLU A 12 -5.107 -10.616 1.573 1.00 20.42 C ATOM 174 O GLU A 12 -5.312 -9.763 2.440 1.00 51.21 O ATOM 175 CB GLU A 12 -6.318 -12.848 1.867 1.00 75.23 C ATOM 176 CG GLU A 12 -6.431 -12.693 3.399 1.00 51.12 C ATOM 177 CD GLU A 12 -6.503 -14.043 4.127 1.00 62.30 C ATOM 178 OE1 GLU A 12 -5.440 -14.643 4.397 1.00 2.21 O ATOM 179 OE2 GLU A 12 -7.624 -14.514 4.423 1.00 34.21 O ATOM 0 H GLU A 12 -5.943 -12.774 -0.586 1.00 3.04 H new ATOM 0 HA GLU A 12 -7.200 -10.985 1.235 1.00 21.13 H new ATOM 0 HB2 GLU A 12 -7.170 -13.428 1.512 1.00 75.23 H new ATOM 0 HB3 GLU A 12 -5.422 -13.426 1.641 1.00 75.23 H new ATOM 0 HG2 GLU A 12 -5.573 -12.131 3.768 1.00 51.12 H new ATOM 0 HG3 GLU A 12 -7.320 -12.109 3.636 1.00 51.12 H new ATOM 186 N GLU A 13 -3.906 -10.816 0.989 1.00 32.55 N ATOM 187 CA GLU A 13 -2.725 -9.963 1.211 1.00 63.13 C ATOM 188 C GLU A 13 -2.993 -8.522 0.743 1.00 13.41 C ATOM 189 O GLU A 13 -2.703 -7.569 1.470 1.00 22.25 O ATOM 190 CB GLU A 13 -1.522 -10.567 0.457 1.00 63.11 C ATOM 191 CG GLU A 13 -0.264 -9.687 0.408 1.00 72.12 C ATOM 192 CD GLU A 13 0.844 -10.298 -0.448 1.00 30.21 C ATOM 193 OE1 GLU A 13 0.698 -10.344 -1.689 1.00 21.21 O ATOM 194 OE2 GLU A 13 1.868 -10.738 0.103 1.00 31.14 O ATOM 0 H GLU A 13 -3.730 -11.585 0.342 1.00 32.55 H new ATOM 0 HA GLU A 13 -2.504 -9.925 2.278 1.00 63.13 H new ATOM 0 HB2 GLU A 13 -1.262 -11.517 0.924 1.00 63.11 H new ATOM 0 HB3 GLU A 13 -1.830 -10.788 -0.565 1.00 63.11 H new ATOM 0 HG2 GLU A 13 -0.526 -8.706 0.012 1.00 72.12 H new ATOM 0 HG3 GLU A 13 0.107 -9.533 1.421 1.00 72.12 H new ATOM 201 N ALA A 14 -3.561 -8.399 -0.473 1.00 62.33 N ATOM 202 CA ALA A 14 -3.921 -7.103 -1.079 1.00 13.44 C ATOM 203 C ALA A 14 -4.894 -6.328 -0.180 1.00 50.24 C ATOM 204 O ALA A 14 -4.662 -5.160 0.137 1.00 64.15 O ATOM 205 CB ALA A 14 -4.540 -7.322 -2.470 1.00 12.00 C ATOM 0 H ALA A 14 -3.784 -9.200 -1.064 1.00 62.33 H new ATOM 0 HA ALA A 14 -3.012 -6.511 -1.185 1.00 13.44 H new ATOM 0 HB1 ALA A 14 -4.802 -6.359 -2.908 1.00 12.00 H new ATOM 0 HB2 ALA A 14 -3.820 -7.829 -3.113 1.00 12.00 H new ATOM 0 HB3 ALA A 14 -5.437 -7.934 -2.377 1.00 12.00 H new ATOM 211 N GLU A 15 -5.961 -7.030 0.248 1.00 32.40 N ATOM 212 CA GLU A 15 -6.987 -6.497 1.152 1.00 24.31 C ATOM 213 C GLU A 15 -6.377 -6.088 2.501 1.00 20.05 C ATOM 214 O GLU A 15 -6.753 -5.064 3.056 1.00 5.43 O ATOM 215 CB GLU A 15 -8.096 -7.556 1.366 1.00 34.34 C ATOM 216 CG GLU A 15 -8.835 -7.990 0.081 1.00 24.34 C ATOM 217 CD GLU A 15 -9.690 -6.878 -0.539 1.00 52.24 C ATOM 218 OE1 GLU A 15 -9.174 -6.081 -1.356 1.00 41.24 O ATOM 219 OE2 GLU A 15 -10.895 -6.797 -0.212 1.00 34.41 O ATOM 0 H GLU A 15 -6.133 -7.996 -0.031 1.00 32.40 H new ATOM 0 HA GLU A 15 -7.420 -5.607 0.695 1.00 24.31 H new ATOM 0 HB2 GLU A 15 -7.652 -8.438 1.828 1.00 34.34 H new ATOM 0 HB3 GLU A 15 -8.826 -7.159 2.072 1.00 34.34 H new ATOM 0 HG2 GLU A 15 -8.103 -8.327 -0.653 1.00 24.34 H new ATOM 0 HG3 GLU A 15 -9.473 -8.844 0.309 1.00 24.34 H new ATOM 226 N LYS A 16 -5.412 -6.900 2.988 1.00 51.54 N ATOM 227 CA LYS A 16 -4.709 -6.679 4.266 1.00 32.13 C ATOM 228 C LYS A 16 -3.954 -5.332 4.239 1.00 12.33 C ATOM 229 O LYS A 16 -3.919 -4.622 5.251 1.00 33.21 O ATOM 230 CB LYS A 16 -3.726 -7.879 4.556 1.00 41.22 C ATOM 231 CG LYS A 16 -3.932 -8.591 5.913 1.00 74.44 C ATOM 232 CD LYS A 16 -3.664 -7.682 7.135 1.00 51.43 C ATOM 233 CE LYS A 16 -2.236 -7.113 7.137 1.00 22.40 C ATOM 234 NZ LYS A 16 -1.968 -6.292 8.337 1.00 63.24 N ATOM 0 H LYS A 16 -5.098 -7.737 2.496 1.00 51.54 H new ATOM 0 HA LYS A 16 -5.441 -6.635 5.073 1.00 32.13 H new ATOM 0 HB2 LYS A 16 -3.833 -8.615 3.759 1.00 41.22 H new ATOM 0 HB3 LYS A 16 -2.702 -7.507 4.512 1.00 41.22 H new ATOM 0 HG2 LYS A 16 -4.954 -8.965 5.966 1.00 74.44 H new ATOM 0 HG3 LYS A 16 -3.272 -9.457 5.963 1.00 74.44 H new ATOM 0 HD2 LYS A 16 -4.380 -6.860 7.138 1.00 51.43 H new ATOM 0 HD3 LYS A 16 -3.828 -8.250 8.051 1.00 51.43 H new ATOM 0 HE2 LYS A 16 -1.519 -7.933 7.091 1.00 22.40 H new ATOM 0 HE3 LYS A 16 -2.086 -6.508 6.243 1.00 22.40 H new ATOM 0 HZ1 LYS A 16 -1.516 -5.399 8.053 1.00 63.24 H new ATOM 0 HZ2 LYS A 16 -2.864 -6.087 8.824 1.00 63.24 H new ATOM 0 HZ3 LYS A 16 -1.336 -6.811 8.979 1.00 63.24 H new ATOM 248 N ILE A 17 -3.362 -5.011 3.068 1.00 12.43 N ATOM 249 CA ILE A 17 -2.688 -3.723 2.830 1.00 55.55 C ATOM 250 C ILE A 17 -3.713 -2.579 2.901 1.00 64.21 C ATOM 251 O ILE A 17 -3.549 -1.653 3.687 1.00 42.32 O ATOM 252 CB ILE A 17 -1.965 -3.683 1.420 1.00 64.00 C ATOM 253 CG1 ILE A 17 -0.966 -4.869 1.253 1.00 20.43 C ATOM 254 CG2 ILE A 17 -1.263 -2.323 1.173 1.00 21.04 C ATOM 255 CD1 ILE A 17 0.153 -4.926 2.279 1.00 52.12 C ATOM 0 H ILE A 17 -3.340 -5.639 2.264 1.00 12.43 H new ATOM 0 HA ILE A 17 -1.930 -3.604 3.604 1.00 55.55 H new ATOM 0 HB ILE A 17 -2.740 -3.794 0.662 1.00 64.00 H new ATOM 0 HG12 ILE A 17 -1.526 -5.803 1.298 1.00 20.43 H new ATOM 0 HG13 ILE A 17 -0.522 -4.811 0.259 1.00 20.43 H new ATOM 0 HG21 ILE A 17 -0.779 -2.335 0.196 1.00 21.04 H new ATOM 0 HG22 ILE A 17 -2.001 -1.522 1.202 1.00 21.04 H new ATOM 0 HG23 ILE A 17 -0.514 -2.154 1.947 1.00 21.04 H new ATOM 0 HD11 ILE A 17 0.791 -5.786 2.074 1.00 52.12 H new ATOM 0 HD12 ILE A 17 0.746 -4.013 2.222 1.00 52.12 H new ATOM 0 HD13 ILE A 17 -0.273 -5.020 3.278 1.00 52.12 H new ATOM 267 N ILE A 18 -4.796 -2.700 2.102 1.00 65.45 N ATOM 268 CA ILE A 18 -5.856 -1.669 1.989 1.00 0.03 C ATOM 269 C ILE A 18 -6.489 -1.367 3.369 1.00 23.21 C ATOM 270 O ILE A 18 -6.753 -0.202 3.694 1.00 22.22 O ATOM 271 CB ILE A 18 -6.968 -2.117 0.960 1.00 33.41 C ATOM 272 CG1 ILE A 18 -6.334 -2.461 -0.427 1.00 14.22 C ATOM 273 CG2 ILE A 18 -8.061 -1.031 0.799 1.00 40.14 C ATOM 274 CD1 ILE A 18 -7.305 -3.015 -1.457 1.00 12.33 C ATOM 0 H ILE A 18 -4.962 -3.517 1.515 1.00 65.45 H new ATOM 0 HA ILE A 18 -5.392 -0.755 1.620 1.00 0.03 H new ATOM 0 HB ILE A 18 -7.442 -3.014 1.359 1.00 33.41 H new ATOM 0 HG12 ILE A 18 -5.873 -1.560 -0.832 1.00 14.22 H new ATOM 0 HG13 ILE A 18 -5.536 -3.187 -0.275 1.00 14.22 H new ATOM 0 HG21 ILE A 18 -8.810 -1.372 0.084 1.00 40.14 H new ATOM 0 HG22 ILE A 18 -8.536 -0.847 1.763 1.00 40.14 H new ATOM 0 HG23 ILE A 18 -7.607 -0.109 0.437 1.00 40.14 H new ATOM 0 HD11 ILE A 18 -6.772 -3.223 -2.385 1.00 12.33 H new ATOM 0 HD12 ILE A 18 -7.749 -3.936 -1.080 1.00 12.33 H new ATOM 0 HD13 ILE A 18 -8.091 -2.284 -1.646 1.00 12.33 H new ATOM 286 N ARG A 19 -6.659 -2.435 4.188 1.00 71.32 N ATOM 287 CA ARG A 19 -7.213 -2.337 5.550 1.00 20.44 C ATOM 288 C ARG A 19 -6.353 -1.399 6.401 1.00 61.51 C ATOM 289 O ARG A 19 -6.809 -0.322 6.783 1.00 22.14 O ATOM 290 CB ARG A 19 -7.304 -3.745 6.228 1.00 10.21 C ATOM 291 CG ARG A 19 -8.404 -4.671 5.668 1.00 23.12 C ATOM 292 CD ARG A 19 -8.406 -6.069 6.316 1.00 43.43 C ATOM 293 NE ARG A 19 -9.509 -6.904 5.807 1.00 11.13 N ATOM 294 CZ ARG A 19 -9.858 -8.113 6.281 1.00 72.12 C ATOM 295 NH1 ARG A 19 -9.195 -8.664 7.292 1.00 33.54 N ATOM 296 NH2 ARG A 19 -10.900 -8.748 5.763 1.00 32.00 N ATOM 0 H ARG A 19 -6.414 -3.387 3.916 1.00 71.32 H new ATOM 0 HA ARG A 19 -8.222 -1.932 5.476 1.00 20.44 H new ATOM 0 HB2 ARG A 19 -6.341 -4.245 6.122 1.00 10.21 H new ATOM 0 HB3 ARG A 19 -7.476 -3.607 7.295 1.00 10.21 H new ATOM 0 HG2 ARG A 19 -9.377 -4.204 5.823 1.00 23.12 H new ATOM 0 HG3 ARG A 19 -8.268 -4.776 4.592 1.00 23.12 H new ATOM 0 HD2 ARG A 19 -7.455 -6.563 6.119 1.00 43.43 H new ATOM 0 HD3 ARG A 19 -8.495 -5.969 7.398 1.00 43.43 H new ATOM 0 HE ARG A 19 -10.054 -6.533 5.029 1.00 11.13 H new ATOM 0 HH11 ARG A 19 -8.411 -8.169 7.718 1.00 33.54 H new ATOM 0 HH12 ARG A 19 -9.470 -9.582 7.642 1.00 33.54 H new ATOM 0 HH21 ARG A 19 -11.434 -8.319 5.007 1.00 32.00 H new ATOM 0 HH22 ARG A 19 -11.167 -9.665 6.120 1.00 32.00 H new ATOM 310 N GLU A 20 -5.076 -1.784 6.588 1.00 61.45 N ATOM 311 CA GLU A 20 -4.171 -1.117 7.537 1.00 22.13 C ATOM 312 C GLU A 20 -3.802 0.305 7.090 1.00 15.31 C ATOM 313 O GLU A 20 -3.644 1.192 7.934 1.00 23.51 O ATOM 314 CB GLU A 20 -2.906 -1.966 7.770 1.00 32.23 C ATOM 315 CG GLU A 20 -2.044 -2.222 6.517 1.00 52.31 C ATOM 316 CD GLU A 20 -0.740 -2.962 6.814 1.00 61.00 C ATOM 317 OE1 GLU A 20 -0.734 -3.860 7.693 1.00 40.22 O ATOM 318 OE2 GLU A 20 0.294 -2.629 6.209 1.00 4.40 O ATOM 0 H GLU A 20 -4.647 -2.562 6.087 1.00 61.45 H new ATOM 0 HA GLU A 20 -4.707 -1.023 8.481 1.00 22.13 H new ATOM 0 HB2 GLU A 20 -2.289 -1.471 8.520 1.00 32.23 H new ATOM 0 HB3 GLU A 20 -3.205 -2.927 8.187 1.00 32.23 H new ATOM 0 HG2 GLU A 20 -2.625 -2.800 5.798 1.00 52.31 H new ATOM 0 HG3 GLU A 20 -1.811 -1.268 6.045 1.00 52.31 H new ATOM 325 N ILE A 21 -3.685 0.521 5.764 1.00 13.44 N ATOM 326 CA ILE A 21 -3.399 1.851 5.196 1.00 21.23 C ATOM 327 C ILE A 21 -4.584 2.796 5.471 1.00 44.23 C ATOM 328 O ILE A 21 -4.373 3.958 5.795 1.00 43.21 O ATOM 329 CB ILE A 21 -3.073 1.802 3.648 1.00 13.54 C ATOM 330 CG1 ILE A 21 -1.812 0.909 3.359 1.00 31.32 C ATOM 331 CG2 ILE A 21 -2.888 3.229 3.056 1.00 15.11 C ATOM 332 CD1 ILE A 21 -0.502 1.367 3.998 1.00 73.31 C ATOM 0 H ILE A 21 -3.785 -0.214 5.064 1.00 13.44 H new ATOM 0 HA ILE A 21 -2.502 2.230 5.687 1.00 21.23 H new ATOM 0 HB ILE A 21 -3.930 1.347 3.152 1.00 13.54 H new ATOM 0 HG12 ILE A 21 -2.024 -0.104 3.700 1.00 31.32 H new ATOM 0 HG13 ILE A 21 -1.668 0.858 2.280 1.00 31.32 H new ATOM 0 HG21 ILE A 21 -2.665 3.155 1.992 1.00 15.11 H new ATOM 0 HG22 ILE A 21 -3.804 3.803 3.196 1.00 15.11 H new ATOM 0 HG23 ILE A 21 -2.065 3.730 3.565 1.00 15.11 H new ATOM 0 HD11 ILE A 21 0.296 0.675 3.729 1.00 73.31 H new ATOM 0 HD12 ILE A 21 -0.252 2.366 3.640 1.00 73.31 H new ATOM 0 HD13 ILE A 21 -0.614 1.388 5.082 1.00 73.31 H new ATOM 344 N ARG A 22 -5.825 2.274 5.376 1.00 31.44 N ATOM 345 CA ARG A 22 -7.047 3.061 5.672 1.00 12.23 C ATOM 346 C ARG A 22 -7.347 3.122 7.189 1.00 61.34 C ATOM 347 O ARG A 22 -8.166 3.936 7.615 1.00 60.42 O ATOM 348 CB ARG A 22 -8.255 2.517 4.861 1.00 40.04 C ATOM 349 CG ARG A 22 -8.089 2.673 3.327 1.00 40.31 C ATOM 350 CD ARG A 22 -9.262 2.083 2.518 1.00 74.41 C ATOM 351 NE ARG A 22 -10.535 2.809 2.725 1.00 0.15 N ATOM 352 CZ ARG A 22 -11.695 2.550 2.074 1.00 72.34 C ATOM 353 NH1 ARG A 22 -11.777 1.578 1.167 1.00 11.00 N ATOM 354 NH2 ARG A 22 -12.779 3.265 2.352 1.00 11.12 N ATOM 0 H ARG A 22 -6.010 1.311 5.097 1.00 31.44 H new ATOM 0 HA ARG A 22 -6.867 4.089 5.356 1.00 12.23 H new ATOM 0 HB2 ARG A 22 -8.397 1.463 5.098 1.00 40.04 H new ATOM 0 HB3 ARG A 22 -9.159 3.039 5.176 1.00 40.04 H new ATOM 0 HG2 ARG A 22 -7.988 3.731 3.086 1.00 40.31 H new ATOM 0 HG3 ARG A 22 -7.164 2.186 3.018 1.00 40.31 H new ATOM 0 HD2 ARG A 22 -9.009 2.101 1.458 1.00 74.41 H new ATOM 0 HD3 ARG A 22 -9.398 1.038 2.796 1.00 74.41 H new ATOM 0 HE ARG A 22 -10.540 3.563 3.411 1.00 0.15 H new ATOM 0 HH11 ARG A 22 -10.957 1.012 0.951 1.00 11.00 H new ATOM 0 HH12 ARG A 22 -12.660 1.400 0.689 1.00 11.00 H new ATOM 0 HH21 ARG A 22 -12.736 4.005 3.053 1.00 11.12 H new ATOM 0 HH22 ARG A 22 -13.655 3.074 1.865 1.00 11.12 H new ATOM 368 N GLU A 23 -6.703 2.262 8.001 1.00 33.21 N ATOM 369 CA GLU A 23 -6.804 2.337 9.479 1.00 31.24 C ATOM 370 C GLU A 23 -5.977 3.518 10.018 1.00 11.51 C ATOM 371 O GLU A 23 -6.401 4.211 10.947 1.00 11.53 O ATOM 372 CB GLU A 23 -6.339 1.016 10.152 1.00 24.23 C ATOM 373 CG GLU A 23 -7.248 -0.204 9.895 1.00 11.01 C ATOM 374 CD GLU A 23 -8.677 -0.033 10.439 1.00 0.33 C ATOM 375 OE1 GLU A 23 -8.919 -0.371 11.614 1.00 24.41 O ATOM 376 OE2 GLU A 23 -9.564 0.436 9.694 1.00 5.11 O ATOM 0 H GLU A 23 -6.107 1.507 7.663 1.00 33.21 H new ATOM 0 HA GLU A 23 -7.854 2.492 9.726 1.00 31.24 H new ATOM 0 HB2 GLU A 23 -5.334 0.781 9.801 1.00 24.23 H new ATOM 0 HB3 GLU A 23 -6.271 1.179 11.228 1.00 24.23 H new ATOM 0 HG2 GLU A 23 -7.297 -0.391 8.822 1.00 11.01 H new ATOM 0 HG3 GLU A 23 -6.797 -1.085 10.352 1.00 11.01 H new ATOM 383 N GLN A 24 -4.799 3.732 9.416 1.00 21.31 N ATOM 384 CA GLN A 24 -3.858 4.794 9.825 1.00 62.14 C ATOM 385 C GLN A 24 -4.189 6.104 9.084 1.00 75.24 C ATOM 386 O GLN A 24 -4.179 7.188 9.673 1.00 30.05 O ATOM 387 CB GLN A 24 -2.406 4.348 9.510 1.00 23.15 C ATOM 388 CG GLN A 24 -2.027 2.973 10.096 1.00 35.35 C ATOM 389 CD GLN A 24 -0.695 2.433 9.566 1.00 53.23 C ATOM 390 OE1 GLN A 24 0.366 2.660 10.146 1.00 12.44 O ATOM 391 NE2 GLN A 24 -0.738 1.735 8.443 1.00 64.23 N ATOM 0 H GLN A 24 -4.467 3.174 8.629 1.00 21.31 H new ATOM 0 HA GLN A 24 -3.952 4.969 10.897 1.00 62.14 H new ATOM 0 HB2 GLN A 24 -2.273 4.319 8.429 1.00 23.15 H new ATOM 0 HB3 GLN A 24 -1.715 5.098 9.896 1.00 23.15 H new ATOM 0 HG2 GLN A 24 -1.973 3.051 11.182 1.00 35.35 H new ATOM 0 HG3 GLN A 24 -2.817 2.258 9.867 1.00 35.35 H new ATOM 0 HE21 GLN A 24 -1.632 1.562 7.984 1.00 64.23 H new ATOM 0 HE22 GLN A 24 0.123 1.370 8.036 1.00 64.23 H new ATOM 400 N TRP A 25 -4.453 5.971 7.775 1.00 55.22 N ATOM 401 CA TRP A 25 -4.789 7.097 6.870 1.00 54.14 C ATOM 402 C TRP A 25 -6.123 6.788 6.137 1.00 62.41 C ATOM 403 O TRP A 25 -6.111 6.246 5.022 1.00 1.03 O ATOM 404 CB TRP A 25 -3.633 7.316 5.848 1.00 31.23 C ATOM 405 CG TRP A 25 -2.258 7.399 6.477 1.00 52.10 C ATOM 406 CD1 TRP A 25 -1.701 8.471 7.113 1.00 4.12 C ATOM 407 CD2 TRP A 25 -1.280 6.344 6.548 1.00 32.51 C ATOM 408 NE1 TRP A 25 -0.450 8.150 7.571 1.00 3.15 N ATOM 409 CE2 TRP A 25 -0.167 6.857 7.231 1.00 31.30 C ATOM 410 CE3 TRP A 25 -1.239 5.022 6.091 1.00 40.31 C ATOM 411 CZ2 TRP A 25 0.969 6.094 7.480 1.00 24.40 C ATOM 412 CZ3 TRP A 25 -0.111 4.264 6.338 1.00 75.24 C ATOM 413 CH2 TRP A 25 0.982 4.803 7.023 1.00 73.11 C ATOM 0 H TRP A 25 -4.441 5.067 7.302 1.00 55.22 H new ATOM 0 HA TRP A 25 -4.911 8.012 7.449 1.00 54.14 H new ATOM 0 HB2 TRP A 25 -3.642 6.500 5.126 1.00 31.23 H new ATOM 0 HB3 TRP A 25 -3.823 8.235 5.293 1.00 31.23 H new ATOM 0 HD1 TRP A 25 -2.177 9.432 7.237 1.00 4.12 H new ATOM 0 HE1 TRP A 25 0.171 8.776 8.084 1.00 3.15 H new ATOM 0 HE3 TRP A 25 -2.076 4.601 5.554 1.00 40.31 H new ATOM 0 HZ2 TRP A 25 1.812 6.505 8.015 1.00 24.40 H new ATOM 0 HZ3 TRP A 25 -0.073 3.240 5.997 1.00 75.24 H new ATOM 0 HH2 TRP A 25 1.854 4.189 7.195 1.00 73.11 H new ATOM 424 N PRO A 26 -7.307 7.100 6.758 1.00 25.30 N ATOM 425 CA PRO A 26 -8.639 6.732 6.189 1.00 13.30 C ATOM 426 C PRO A 26 -9.056 7.595 4.981 1.00 64.43 C ATOM 427 O PRO A 26 -10.002 7.254 4.265 1.00 14.24 O ATOM 428 CB PRO A 26 -9.584 6.926 7.397 1.00 60.20 C ATOM 429 CG PRO A 26 -8.945 8.020 8.205 1.00 71.14 C ATOM 430 CD PRO A 26 -7.449 7.820 8.061 1.00 2.34 C ATOM 0 HA PRO A 26 -8.649 5.722 5.778 1.00 13.30 H new ATOM 0 HB2 PRO A 26 -10.587 7.205 7.075 1.00 60.20 H new ATOM 0 HB3 PRO A 26 -9.679 6.008 7.977 1.00 60.20 H new ATOM 0 HG2 PRO A 26 -9.245 9.002 7.840 1.00 71.14 H new ATOM 0 HG3 PRO A 26 -9.248 7.962 9.250 1.00 71.14 H new ATOM 0 HD2 PRO A 26 -6.918 8.772 8.052 1.00 2.34 H new ATOM 0 HD3 PRO A 26 -7.043 7.236 8.887 1.00 2.34 H new ATOM 438 N LYS A 27 -8.336 8.699 4.767 1.00 72.33 N ATOM 439 CA LYS A 27 -8.587 9.659 3.673 1.00 52.34 C ATOM 440 C LYS A 27 -7.387 9.703 2.710 1.00 20.32 C ATOM 441 O LYS A 27 -7.103 10.737 2.097 1.00 21.20 O ATOM 442 CB LYS A 27 -8.961 11.053 4.241 1.00 74.12 C ATOM 443 CG LYS A 27 -7.978 11.649 5.274 1.00 3.02 C ATOM 444 CD LYS A 27 -8.448 13.036 5.777 1.00 0.23 C ATOM 445 CE LYS A 27 -9.832 12.988 6.461 1.00 12.42 C ATOM 446 NZ LYS A 27 -10.381 14.347 6.687 1.00 13.34 N ATOM 0 H LYS A 27 -7.546 8.962 5.357 1.00 72.33 H new ATOM 0 HA LYS A 27 -9.445 9.323 3.090 1.00 52.34 H new ATOM 0 HB2 LYS A 27 -9.050 11.751 3.408 1.00 74.12 H new ATOM 0 HB3 LYS A 27 -9.945 10.983 4.704 1.00 74.12 H new ATOM 0 HG2 LYS A 27 -7.882 10.968 6.120 1.00 3.02 H new ATOM 0 HG3 LYS A 27 -6.989 11.741 4.825 1.00 3.02 H new ATOM 0 HD2 LYS A 27 -7.714 13.430 6.480 1.00 0.23 H new ATOM 0 HD3 LYS A 27 -8.487 13.728 4.936 1.00 0.23 H new ATOM 0 HE2 LYS A 27 -10.523 12.415 5.843 1.00 12.42 H new ATOM 0 HE3 LYS A 27 -9.749 12.466 7.414 1.00 12.42 H new ATOM 0 HZ1 LYS A 27 -11.310 14.274 7.148 1.00 13.34 H new ATOM 0 HZ2 LYS A 27 -9.734 14.886 7.297 1.00 13.34 H new ATOM 0 HZ3 LYS A 27 -10.484 14.836 5.775 1.00 13.34 H new ATOM 460 N ALA A 28 -6.704 8.553 2.579 1.00 0.41 N ATOM 461 CA ALA A 28 -5.564 8.393 1.657 1.00 43.55 C ATOM 462 C ALA A 28 -6.093 7.535 0.514 1.00 23.33 C ATOM 463 O ALA A 28 -6.578 6.427 0.785 1.00 42.41 O ATOM 464 CB ALA A 28 -4.372 7.723 2.351 1.00 42.44 C ATOM 0 H ALA A 28 -6.925 7.709 3.108 1.00 0.41 H new ATOM 0 HA ALA A 28 -5.194 9.355 1.303 1.00 43.55 H new ATOM 0 HB1 ALA A 28 -3.549 7.620 1.643 1.00 42.44 H new ATOM 0 HB2 ALA A 28 -4.051 8.335 3.194 1.00 42.44 H new ATOM 0 HB3 ALA A 28 -4.667 6.737 2.710 1.00 42.44 H new ATOM 470 N THR A 29 -6.071 8.031 -0.740 1.00 74.44 N ATOM 471 CA THR A 29 -6.711 7.338 -1.863 1.00 40.01 C ATOM 472 C THR A 29 -6.016 5.987 -2.167 1.00 24.14 C ATOM 473 O THR A 29 -4.890 5.951 -2.663 1.00 75.23 O ATOM 474 CB THR A 29 -6.716 8.237 -3.142 1.00 52.04 C ATOM 475 OG1 THR A 29 -7.220 9.550 -2.829 1.00 73.41 O ATOM 476 CG2 THR A 29 -7.563 7.621 -4.276 1.00 61.11 C ATOM 0 H THR A 29 -5.616 8.908 -0.994 1.00 74.44 H new ATOM 0 HA THR A 29 -7.741 7.133 -1.572 1.00 40.01 H new ATOM 0 HB THR A 29 -5.685 8.309 -3.488 1.00 52.04 H new ATOM 0 HG1 THR A 29 -7.216 10.103 -3.638 1.00 73.41 H new ATOM 0 HG21 THR A 29 -7.539 8.278 -5.146 1.00 61.11 H new ATOM 0 HG22 THR A 29 -7.156 6.647 -4.546 1.00 61.11 H new ATOM 0 HG23 THR A 29 -8.593 7.503 -3.938 1.00 61.11 H new ATOM 484 N VAL A 30 -6.688 4.888 -1.794 1.00 72.44 N ATOM 485 CA VAL A 30 -6.266 3.513 -2.125 1.00 22.44 C ATOM 486 C VAL A 30 -7.324 2.892 -3.049 1.00 0.31 C ATOM 487 O VAL A 30 -8.500 2.804 -2.674 1.00 64.23 O ATOM 488 CB VAL A 30 -6.096 2.615 -0.833 1.00 73.22 C ATOM 489 CG1 VAL A 30 -5.498 1.228 -1.184 1.00 15.10 C ATOM 490 CG2 VAL A 30 -5.250 3.335 0.244 1.00 3.33 C ATOM 0 H VAL A 30 -7.549 4.926 -1.248 1.00 72.44 H new ATOM 0 HA VAL A 30 -5.294 3.558 -2.617 1.00 22.44 H new ATOM 0 HB VAL A 30 -7.089 2.449 -0.416 1.00 73.22 H new ATOM 0 HG11 VAL A 30 -5.394 0.636 -0.275 1.00 15.10 H new ATOM 0 HG12 VAL A 30 -6.160 0.712 -1.879 1.00 15.10 H new ATOM 0 HG13 VAL A 30 -4.519 1.360 -1.645 1.00 15.10 H new ATOM 0 HG21 VAL A 30 -5.151 2.692 1.119 1.00 3.33 H new ATOM 0 HG22 VAL A 30 -4.261 3.555 -0.158 1.00 3.33 H new ATOM 0 HG23 VAL A 30 -5.741 4.265 0.530 1.00 3.33 H new ATOM 500 N THR A 31 -6.899 2.473 -4.248 1.00 34.11 N ATOM 501 CA THR A 31 -7.774 1.822 -5.230 1.00 22.11 C ATOM 502 C THR A 31 -7.674 0.309 -5.038 1.00 2.40 C ATOM 503 O THR A 31 -6.567 -0.219 -4.854 1.00 35.24 O ATOM 504 CB THR A 31 -7.372 2.210 -6.693 1.00 12.45 C ATOM 505 OG1 THR A 31 -7.455 3.636 -6.849 1.00 45.32 O ATOM 506 CG2 THR A 31 -8.268 1.541 -7.758 1.00 5.15 C ATOM 0 H THR A 31 -5.935 2.577 -4.565 1.00 34.11 H new ATOM 0 HA THR A 31 -8.800 2.156 -5.074 1.00 22.11 H new ATOM 0 HB THR A 31 -6.353 1.855 -6.848 1.00 12.45 H new ATOM 0 HG1 THR A 31 -7.202 3.880 -7.764 1.00 45.32 H new ATOM 0 HG21 THR A 31 -7.942 1.847 -8.752 1.00 5.15 H new ATOM 0 HG22 THR A 31 -8.192 0.457 -7.669 1.00 5.15 H new ATOM 0 HG23 THR A 31 -9.303 1.846 -7.606 1.00 5.15 H new ATOM 514 N ARG A 32 -8.829 -0.389 -5.074 1.00 52.42 N ATOM 515 CA ARG A 32 -8.880 -1.831 -4.844 1.00 13.15 C ATOM 516 C ARG A 32 -8.495 -2.537 -6.150 1.00 22.25 C ATOM 517 O ARG A 32 -9.231 -2.475 -7.139 1.00 0.45 O ATOM 518 CB ARG A 32 -10.294 -2.268 -4.380 1.00 61.03 C ATOM 519 CG ARG A 32 -10.368 -3.732 -3.895 1.00 0.01 C ATOM 520 CD ARG A 32 -11.789 -4.171 -3.512 1.00 42.45 C ATOM 521 NE ARG A 32 -11.780 -5.506 -2.888 1.00 74.50 N ATOM 522 CZ ARG A 32 -12.580 -6.535 -3.193 1.00 20.24 C ATOM 523 NH1 ARG A 32 -13.514 -6.428 -4.134 1.00 74.34 N ATOM 524 NH2 ARG A 32 -12.435 -7.677 -2.543 1.00 74.01 N ATOM 0 H ARG A 32 -9.738 0.034 -5.262 1.00 52.42 H new ATOM 0 HA ARG A 32 -8.182 -2.104 -4.052 1.00 13.15 H new ATOM 0 HB2 ARG A 32 -10.620 -1.611 -3.573 1.00 61.03 H new ATOM 0 HB3 ARG A 32 -10.994 -2.133 -5.204 1.00 61.03 H new ATOM 0 HG2 ARG A 32 -9.991 -4.388 -4.680 1.00 0.01 H new ATOM 0 HG3 ARG A 32 -9.712 -3.856 -3.034 1.00 0.01 H new ATOM 0 HD2 ARG A 32 -12.224 -3.447 -2.823 1.00 42.45 H new ATOM 0 HD3 ARG A 32 -12.421 -4.185 -4.400 1.00 42.45 H new ATOM 0 HE ARG A 32 -11.095 -5.662 -2.149 1.00 74.50 H new ATOM 0 HH11 ARG A 32 -13.631 -5.549 -4.639 1.00 74.34 H new ATOM 0 HH12 ARG A 32 -14.113 -7.225 -4.351 1.00 74.34 H new ATOM 0 HH21 ARG A 32 -11.721 -7.765 -1.820 1.00 74.01 H new ATOM 0 HH22 ARG A 32 -13.037 -8.470 -2.764 1.00 74.01 H new ATOM 538 N THR A 33 -7.341 -3.199 -6.139 1.00 5.33 N ATOM 539 CA THR A 33 -6.725 -3.767 -7.337 1.00 12.42 C ATOM 540 C THR A 33 -6.206 -5.170 -6.991 1.00 63.21 C ATOM 541 O THR A 33 -5.660 -5.383 -5.900 1.00 63.02 O ATOM 542 CB THR A 33 -5.584 -2.833 -7.907 1.00 35.44 C ATOM 543 OG1 THR A 33 -4.835 -2.258 -6.828 1.00 63.45 O ATOM 544 CG2 THR A 33 -6.133 -1.691 -8.791 1.00 13.13 C ATOM 0 H THR A 33 -6.800 -3.358 -5.289 1.00 5.33 H new ATOM 0 HA THR A 33 -7.467 -3.843 -8.132 1.00 12.42 H new ATOM 0 HB THR A 33 -4.947 -3.463 -8.528 1.00 35.44 H new ATOM 0 HG1 THR A 33 -4.289 -2.952 -6.402 1.00 63.45 H new ATOM 0 HG21 THR A 33 -5.305 -1.082 -9.154 1.00 13.13 H new ATOM 0 HG22 THR A 33 -6.672 -2.114 -9.639 1.00 13.13 H new ATOM 0 HG23 THR A 33 -6.810 -1.070 -8.204 1.00 13.13 H new ATOM 552 N ASN A 34 -6.440 -6.128 -7.890 1.00 73.44 N ATOM 553 CA ASN A 34 -5.985 -7.518 -7.732 1.00 43.42 C ATOM 554 C ASN A 34 -4.732 -7.729 -8.587 1.00 24.31 C ATOM 555 O ASN A 34 -4.772 -7.548 -9.810 1.00 70.42 O ATOM 556 CB ASN A 34 -7.099 -8.509 -8.147 1.00 23.24 C ATOM 557 CG ASN A 34 -8.392 -8.331 -7.343 1.00 15.34 C ATOM 558 OD1 ASN A 34 -9.297 -7.601 -7.743 1.00 0.21 O ATOM 559 ND2 ASN A 34 -8.493 -8.985 -6.199 1.00 10.11 N ATOM 0 H ASN A 34 -6.954 -5.964 -8.756 1.00 73.44 H new ATOM 0 HA ASN A 34 -5.748 -7.705 -6.685 1.00 43.42 H new ATOM 0 HB2 ASN A 34 -7.317 -8.379 -9.207 1.00 23.24 H new ATOM 0 HB3 ASN A 34 -6.736 -9.529 -8.019 1.00 23.24 H new ATOM 0 HD21 ASN A 34 -9.334 -8.889 -5.629 1.00 10.11 H new ATOM 0 HD22 ASN A 34 -7.730 -9.585 -5.886 1.00 10.11 H new ATOM 566 N GLY A 35 -3.625 -8.095 -7.934 1.00 25.20 N ATOM 567 CA GLY A 35 -2.320 -8.233 -8.589 1.00 40.04 C ATOM 568 C GLY A 35 -1.398 -7.073 -8.258 1.00 23.02 C ATOM 569 O GLY A 35 -0.173 -7.239 -8.225 1.00 4.43 O ATOM 0 H GLY A 35 -3.608 -8.304 -6.936 1.00 25.20 H new ATOM 0 HA2 GLY A 35 -1.854 -9.168 -8.278 1.00 40.04 H new ATOM 0 HA3 GLY A 35 -2.459 -8.290 -9.669 1.00 40.04 H new ATOM 573 N ASP A 36 -1.996 -5.890 -8.013 1.00 21.31 N ATOM 574 CA ASP A 36 -1.268 -4.666 -7.613 1.00 23.10 C ATOM 575 C ASP A 36 -2.043 -3.947 -6.502 1.00 63.23 C ATOM 576 O ASP A 36 -3.156 -4.339 -6.179 1.00 44.34 O ATOM 577 CB ASP A 36 -1.055 -3.703 -8.818 1.00 3.35 C ATOM 578 CG ASP A 36 -0.144 -4.288 -9.907 1.00 73.54 C ATOM 579 OD1 ASP A 36 1.057 -4.497 -9.631 1.00 25.23 O ATOM 580 OD2 ASP A 36 -0.607 -4.512 -11.052 1.00 73.23 O ATOM 0 H ASP A 36 -3.004 -5.755 -8.087 1.00 21.31 H new ATOM 0 HA ASP A 36 -0.285 -4.963 -7.248 1.00 23.10 H new ATOM 0 HB2 ASP A 36 -2.023 -3.460 -9.256 1.00 3.35 H new ATOM 0 HB3 ASP A 36 -0.625 -2.769 -8.457 1.00 3.35 H new ATOM 585 N ILE A 37 -1.427 -2.905 -5.913 1.00 2.33 N ATOM 586 CA ILE A 37 -2.072 -1.996 -4.943 1.00 74.24 C ATOM 587 C ILE A 37 -1.667 -0.563 -5.299 1.00 2.15 C ATOM 588 O ILE A 37 -0.508 -0.178 -5.126 1.00 72.43 O ATOM 589 CB ILE A 37 -1.694 -2.316 -3.424 1.00 4.31 C ATOM 590 CG1 ILE A 37 -2.374 -3.639 -2.945 1.00 71.22 C ATOM 591 CG2 ILE A 37 -2.063 -1.138 -2.463 1.00 34.43 C ATOM 592 CD1 ILE A 37 -3.898 -3.628 -3.018 1.00 75.30 C ATOM 0 H ILE A 37 -0.453 -2.666 -6.099 1.00 2.33 H new ATOM 0 HA ILE A 37 -3.151 -2.135 -5.014 1.00 74.24 H new ATOM 0 HB ILE A 37 -0.612 -2.443 -3.388 1.00 4.31 H new ATOM 0 HG12 ILE A 37 -2.000 -4.465 -3.550 1.00 71.22 H new ATOM 0 HG13 ILE A 37 -2.073 -3.836 -1.916 1.00 71.22 H new ATOM 0 HG21 ILE A 37 -1.788 -1.402 -1.442 1.00 34.43 H new ATOM 0 HG22 ILE A 37 -1.523 -0.240 -2.764 1.00 34.43 H new ATOM 0 HG23 ILE A 37 -3.136 -0.950 -2.513 1.00 34.43 H new ATOM 0 HD11 ILE A 37 -4.286 -4.584 -2.667 1.00 75.30 H new ATOM 0 HD12 ILE A 37 -4.287 -2.826 -2.390 1.00 75.30 H new ATOM 0 HD13 ILE A 37 -4.212 -3.466 -4.049 1.00 75.30 H new ATOM 604 N LYS A 38 -2.618 0.209 -5.831 1.00 1.33 N ATOM 605 CA LYS A 38 -2.391 1.613 -6.184 1.00 34.30 C ATOM 606 C LYS A 38 -2.793 2.502 -5.001 1.00 71.21 C ATOM 607 O LYS A 38 -3.896 2.370 -4.460 1.00 40.33 O ATOM 608 CB LYS A 38 -3.166 1.965 -7.473 1.00 22.12 C ATOM 609 CG LYS A 38 -2.695 1.159 -8.702 1.00 3.41 C ATOM 610 CD LYS A 38 -3.371 1.610 -10.015 1.00 70.44 C ATOM 611 CE LYS A 38 -2.814 0.858 -11.230 1.00 51.50 C ATOM 612 NZ LYS A 38 -3.441 1.299 -12.498 1.00 72.53 N ATOM 0 H LYS A 38 -3.563 -0.120 -6.029 1.00 1.33 H new ATOM 0 HA LYS A 38 -1.334 1.786 -6.389 1.00 34.30 H new ATOM 0 HB2 LYS A 38 -4.229 1.783 -7.312 1.00 22.12 H new ATOM 0 HB3 LYS A 38 -3.053 3.029 -7.679 1.00 22.12 H new ATOM 0 HG2 LYS A 38 -1.614 1.260 -8.803 1.00 3.41 H new ATOM 0 HG3 LYS A 38 -2.903 0.102 -8.537 1.00 3.41 H new ATOM 0 HD2 LYS A 38 -4.446 1.444 -9.946 1.00 70.44 H new ATOM 0 HD3 LYS A 38 -3.222 2.681 -10.151 1.00 70.44 H new ATOM 0 HE2 LYS A 38 -1.736 1.011 -11.287 1.00 51.50 H new ATOM 0 HE3 LYS A 38 -2.977 -0.212 -11.099 1.00 51.50 H new ATOM 0 HZ1 LYS A 38 -3.034 0.764 -13.291 1.00 72.53 H new ATOM 0 HZ2 LYS A 38 -4.466 1.129 -12.456 1.00 72.53 H new ATOM 0 HZ3 LYS A 38 -3.264 2.314 -12.638 1.00 72.53 H new ATOM 626 N LEU A 39 -1.881 3.393 -4.617 1.00 21.02 N ATOM 627 CA LEU A 39 -1.978 4.186 -3.387 1.00 21.43 C ATOM 628 C LEU A 39 -1.475 5.606 -3.711 1.00 61.40 C ATOM 629 O LEU A 39 -0.507 5.761 -4.460 1.00 4.32 O ATOM 630 CB LEU A 39 -1.100 3.495 -2.280 1.00 24.31 C ATOM 631 CG LEU A 39 -1.471 3.729 -0.772 1.00 25.14 C ATOM 632 CD1 LEU A 39 -0.537 2.904 0.147 1.00 22.32 C ATOM 633 CD2 LEU A 39 -1.453 5.219 -0.368 1.00 74.14 C ATOM 0 H LEU A 39 -1.039 3.589 -5.159 1.00 21.02 H new ATOM 0 HA LEU A 39 -3.001 4.249 -3.016 1.00 21.43 H new ATOM 0 HB2 LEU A 39 -1.121 2.421 -2.463 1.00 24.31 H new ATOM 0 HB3 LEU A 39 -0.070 3.822 -2.422 1.00 24.31 H new ATOM 0 HG LEU A 39 -2.498 3.387 -0.645 1.00 25.14 H new ATOM 0 HD11 LEU A 39 -0.806 3.077 1.189 1.00 22.32 H new ATOM 0 HD12 LEU A 39 -0.643 1.844 -0.084 1.00 22.32 H new ATOM 0 HD13 LEU A 39 0.496 3.210 -0.016 1.00 22.32 H new ATOM 0 HD21 LEU A 39 -1.718 5.314 0.685 1.00 74.14 H new ATOM 0 HD22 LEU A 39 -0.456 5.628 -0.530 1.00 74.14 H new ATOM 0 HD23 LEU A 39 -2.173 5.769 -0.974 1.00 74.14 H new ATOM 645 N ASP A 40 -2.137 6.626 -3.146 1.00 52.14 N ATOM 646 CA ASP A 40 -1.760 8.037 -3.329 1.00 55.41 C ATOM 647 C ASP A 40 -1.401 8.650 -1.970 1.00 65.33 C ATOM 648 O ASP A 40 -2.286 8.928 -1.145 1.00 4.33 O ATOM 649 CB ASP A 40 -2.917 8.825 -3.990 1.00 10.54 C ATOM 650 CG ASP A 40 -3.291 8.271 -5.376 1.00 14.40 C ATOM 651 OD1 ASP A 40 -2.526 8.484 -6.332 1.00 1.14 O ATOM 652 OD2 ASP A 40 -4.336 7.600 -5.511 1.00 33.34 O ATOM 0 H ASP A 40 -2.952 6.496 -2.547 1.00 52.14 H new ATOM 0 HA ASP A 40 -0.893 8.093 -3.987 1.00 55.41 H new ATOM 0 HB2 ASP A 40 -3.792 8.792 -3.341 1.00 10.54 H new ATOM 0 HB3 ASP A 40 -2.631 9.872 -4.086 1.00 10.54 H new ATOM 657 N ALA A 41 -0.090 8.814 -1.742 1.00 43.14 N ATOM 658 CA ALA A 41 0.453 9.483 -0.546 1.00 44.13 C ATOM 659 C ALA A 41 0.527 10.995 -0.799 1.00 71.10 C ATOM 660 O ALA A 41 0.987 11.417 -1.869 1.00 52.02 O ATOM 661 CB ALA A 41 1.841 8.913 -0.206 1.00 15.52 C ATOM 0 H ALA A 41 0.630 8.485 -2.385 1.00 43.14 H new ATOM 0 HA ALA A 41 -0.203 9.302 0.305 1.00 44.13 H new ATOM 0 HB1 ALA A 41 2.233 9.414 0.679 1.00 15.52 H new ATOM 0 HB2 ALA A 41 1.757 7.844 -0.011 1.00 15.52 H new ATOM 0 HB3 ALA A 41 2.517 9.077 -1.045 1.00 15.52 H new ATOM 667 N GLN A 42 0.072 11.808 0.174 1.00 75.12 N ATOM 668 CA GLN A 42 0.091 13.285 0.041 1.00 53.45 C ATOM 669 C GLN A 42 1.543 13.815 -0.020 1.00 62.41 C ATOM 670 O GLN A 42 1.818 14.813 -0.690 1.00 34.03 O ATOM 671 CB GLN A 42 -0.679 13.969 1.204 1.00 63.42 C ATOM 672 CG GLN A 42 -0.054 13.746 2.596 1.00 5.32 C ATOM 673 CD GLN A 42 -0.780 14.459 3.734 1.00 14.45 C ATOM 674 OE1 GLN A 42 -1.378 15.522 3.557 1.00 64.44 O ATOM 675 NE2 GLN A 42 -0.734 13.892 4.920 1.00 33.45 N ATOM 0 H GLN A 42 -0.312 11.473 1.058 1.00 75.12 H new ATOM 0 HA GLN A 42 -0.412 13.534 -0.893 1.00 53.45 H new ATOM 0 HB2 GLN A 42 -0.731 15.040 1.009 1.00 63.42 H new ATOM 0 HB3 GLN A 42 -1.703 13.597 1.215 1.00 63.42 H new ATOM 0 HG2 GLN A 42 -0.036 12.677 2.806 1.00 5.32 H new ATOM 0 HG3 GLN A 42 0.982 14.084 2.574 1.00 5.32 H new ATOM 0 HE21 GLN A 42 -0.234 13.012 5.046 1.00 33.45 H new ATOM 0 HE22 GLN A 42 -1.199 14.332 5.714 1.00 33.45 H new ATOM 684 N THR A 43 2.458 13.117 0.684 1.00 73.21 N ATOM 685 CA THR A 43 3.881 13.496 0.799 1.00 51.52 C ATOM 686 C THR A 43 4.776 12.249 0.788 1.00 12.15 C ATOM 687 O THR A 43 4.292 11.116 0.945 1.00 44.25 O ATOM 688 CB THR A 43 4.151 14.299 2.127 1.00 54.03 C ATOM 689 OG1 THR A 43 3.627 13.571 3.254 1.00 12.13 O ATOM 690 CG2 THR A 43 3.545 15.719 2.093 1.00 40.33 C ATOM 0 H THR A 43 2.227 12.265 1.194 1.00 73.21 H new ATOM 0 HA THR A 43 4.117 14.128 -0.057 1.00 51.52 H new ATOM 0 HB THR A 43 5.231 14.410 2.223 1.00 54.03 H new ATOM 0 HG1 THR A 43 3.799 14.074 4.077 1.00 12.13 H new ATOM 0 HG21 THR A 43 3.760 16.229 3.032 1.00 40.33 H new ATOM 0 HG22 THR A 43 3.981 16.281 1.267 1.00 40.33 H new ATOM 0 HG23 THR A 43 2.466 15.651 1.956 1.00 40.33 H new ATOM 698 N GLU A 44 6.086 12.498 0.615 1.00 41.51 N ATOM 699 CA GLU A 44 7.139 11.478 0.682 1.00 51.21 C ATOM 700 C GLU A 44 7.285 10.961 2.123 1.00 14.25 C ATOM 701 O GLU A 44 7.417 9.764 2.339 1.00 4.25 O ATOM 702 CB GLU A 44 8.472 12.083 0.146 1.00 3.42 C ATOM 703 CG GLU A 44 9.741 11.209 0.321 1.00 44.05 C ATOM 704 CD GLU A 44 9.605 9.767 -0.205 1.00 40.41 C ATOM 705 OE1 GLU A 44 9.321 9.575 -1.412 1.00 1.51 O ATOM 706 OE2 GLU A 44 9.792 8.815 0.594 1.00 1.30 O ATOM 0 H GLU A 44 6.446 13.433 0.421 1.00 41.51 H new ATOM 0 HA GLU A 44 6.874 10.625 0.057 1.00 51.21 H new ATOM 0 HB2 GLU A 44 8.348 12.298 -0.915 1.00 3.42 H new ATOM 0 HB3 GLU A 44 8.641 13.036 0.647 1.00 3.42 H new ATOM 0 HG2 GLU A 44 10.572 11.692 -0.192 1.00 44.05 H new ATOM 0 HG3 GLU A 44 9.998 11.173 1.380 1.00 44.05 H new ATOM 713 N LYS A 45 7.199 11.887 3.095 1.00 45.02 N ATOM 714 CA LYS A 45 7.336 11.590 4.536 1.00 32.43 C ATOM 715 C LYS A 45 6.238 10.616 5.027 1.00 13.41 C ATOM 716 O LYS A 45 6.462 9.819 5.947 1.00 12.43 O ATOM 717 CB LYS A 45 7.291 12.919 5.333 1.00 2.34 C ATOM 718 CG LYS A 45 7.437 12.773 6.868 1.00 10.33 C ATOM 719 CD LYS A 45 7.399 14.135 7.602 1.00 32.12 C ATOM 720 CE LYS A 45 6.103 14.924 7.324 1.00 55.45 C ATOM 721 NZ LYS A 45 6.095 16.250 7.994 1.00 53.42 N ATOM 0 H LYS A 45 7.031 12.874 2.902 1.00 45.02 H new ATOM 0 HA LYS A 45 8.293 11.096 4.702 1.00 32.43 H new ATOM 0 HB2 LYS A 45 8.086 13.570 4.969 1.00 2.34 H new ATOM 0 HB3 LYS A 45 6.347 13.420 5.120 1.00 2.34 H new ATOM 0 HG2 LYS A 45 6.636 12.138 7.247 1.00 10.33 H new ATOM 0 HG3 LYS A 45 8.377 12.269 7.094 1.00 10.33 H new ATOM 0 HD2 LYS A 45 7.495 13.968 8.675 1.00 32.12 H new ATOM 0 HD3 LYS A 45 8.257 14.733 7.295 1.00 32.12 H new ATOM 0 HE2 LYS A 45 5.988 15.062 6.249 1.00 55.45 H new ATOM 0 HE3 LYS A 45 5.246 14.342 7.664 1.00 55.45 H new ATOM 0 HZ1 LYS A 45 5.205 16.743 7.778 1.00 53.42 H new ATOM 0 HZ2 LYS A 45 6.178 16.120 9.022 1.00 53.42 H new ATOM 0 HZ3 LYS A 45 6.897 16.817 7.651 1.00 53.42 H new ATOM 735 N GLU A 46 5.062 10.662 4.375 1.00 60.50 N ATOM 736 CA GLU A 46 3.930 9.769 4.685 1.00 22.42 C ATOM 737 C GLU A 46 4.113 8.445 3.920 1.00 73.14 C ATOM 738 O GLU A 46 3.854 7.367 4.463 1.00 65.02 O ATOM 739 CB GLU A 46 2.595 10.453 4.289 1.00 14.02 C ATOM 740 CG GLU A 46 1.327 9.632 4.607 1.00 41.11 C ATOM 741 CD GLU A 46 0.032 10.372 4.246 1.00 41.12 C ATOM 742 OE1 GLU A 46 -0.313 10.430 3.041 1.00 42.54 O ATOM 743 OE2 GLU A 46 -0.628 10.930 5.154 1.00 11.02 O ATOM 0 H GLU A 46 4.870 11.319 3.619 1.00 60.50 H new ATOM 0 HA GLU A 46 3.901 9.561 5.755 1.00 22.42 H new ATOM 0 HB2 GLU A 46 2.528 11.412 4.803 1.00 14.02 H new ATOM 0 HB3 GLU A 46 2.615 10.665 3.220 1.00 14.02 H new ATOM 0 HG2 GLU A 46 1.365 8.689 4.062 1.00 41.11 H new ATOM 0 HG3 GLU A 46 1.316 9.387 5.669 1.00 41.11 H new ATOM 750 N ALA A 47 4.593 8.566 2.656 1.00 54.14 N ATOM 751 CA ALA A 47 4.922 7.419 1.778 1.00 45.43 C ATOM 752 C ALA A 47 5.972 6.488 2.403 1.00 31.20 C ATOM 753 O ALA A 47 5.945 5.285 2.142 1.00 24.44 O ATOM 754 CB ALA A 47 5.406 7.904 0.404 1.00 1.14 C ATOM 0 H ALA A 47 4.763 9.470 2.216 1.00 54.14 H new ATOM 0 HA ALA A 47 4.003 6.846 1.654 1.00 45.43 H new ATOM 0 HB1 ALA A 47 5.642 7.044 -0.223 1.00 1.14 H new ATOM 0 HB2 ALA A 47 4.622 8.495 -0.070 1.00 1.14 H new ATOM 0 HB3 ALA A 47 6.298 8.518 0.528 1.00 1.14 H new ATOM 760 N GLU A 48 6.888 7.067 3.223 1.00 3.20 N ATOM 761 CA GLU A 48 7.922 6.307 3.961 1.00 52.23 C ATOM 762 C GLU A 48 7.291 5.258 4.883 1.00 71.42 C ATOM 763 O GLU A 48 7.815 4.161 5.036 1.00 72.53 O ATOM 764 CB GLU A 48 8.805 7.248 4.826 1.00 34.30 C ATOM 765 CG GLU A 48 9.614 8.294 4.048 1.00 13.40 C ATOM 766 CD GLU A 48 10.650 9.014 4.923 1.00 74.11 C ATOM 767 OE1 GLU A 48 10.303 10.025 5.569 1.00 71.12 O ATOM 768 OE2 GLU A 48 11.815 8.545 4.989 1.00 72.34 O ATOM 0 H GLU A 48 6.927 8.073 3.388 1.00 3.20 H new ATOM 0 HA GLU A 48 8.538 5.813 3.210 1.00 52.23 H new ATOM 0 HB2 GLU A 48 8.163 7.767 5.538 1.00 34.30 H new ATOM 0 HB3 GLU A 48 9.497 6.637 5.406 1.00 34.30 H new ATOM 0 HG2 GLU A 48 10.123 7.808 3.216 1.00 13.40 H new ATOM 0 HG3 GLU A 48 8.933 9.029 3.620 1.00 13.40 H new ATOM 775 N LYS A 49 6.182 5.655 5.519 1.00 75.34 N ATOM 776 CA LYS A 49 5.466 4.851 6.523 1.00 2.34 C ATOM 777 C LYS A 49 4.526 3.854 5.835 1.00 12.41 C ATOM 778 O LYS A 49 4.366 2.725 6.290 1.00 4.01 O ATOM 779 CB LYS A 49 4.667 5.806 7.437 1.00 43.02 C ATOM 780 CG LYS A 49 5.519 6.958 8.024 1.00 53.34 C ATOM 781 CD LYS A 49 4.679 7.999 8.785 1.00 71.32 C ATOM 782 CE LYS A 49 3.899 7.395 9.965 1.00 4.53 C ATOM 783 NZ LYS A 49 4.790 6.776 10.987 1.00 21.02 N ATOM 0 H LYS A 49 5.747 6.562 5.348 1.00 75.34 H new ATOM 0 HA LYS A 49 6.179 4.282 7.120 1.00 2.34 H new ATOM 0 HB2 LYS A 49 3.839 6.230 6.870 1.00 43.02 H new ATOM 0 HB3 LYS A 49 4.232 5.233 8.256 1.00 43.02 H new ATOM 0 HG2 LYS A 49 6.269 6.542 8.697 1.00 53.34 H new ATOM 0 HG3 LYS A 49 6.056 7.454 7.216 1.00 53.34 H new ATOM 0 HD2 LYS A 49 5.335 8.787 9.155 1.00 71.32 H new ATOM 0 HD3 LYS A 49 3.978 8.467 8.094 1.00 71.32 H new ATOM 0 HE2 LYS A 49 3.299 8.174 10.436 1.00 4.53 H new ATOM 0 HE3 LYS A 49 3.206 6.642 9.590 1.00 4.53 H new ATOM 0 HZ1 LYS A 49 4.217 6.430 11.783 1.00 21.02 H new ATOM 0 HZ2 LYS A 49 5.307 5.980 10.561 1.00 21.02 H new ATOM 0 HZ3 LYS A 49 5.469 7.485 11.331 1.00 21.02 H new ATOM 797 N MET A 50 3.888 4.348 4.758 1.00 54.22 N ATOM 798 CA MET A 50 2.982 3.562 3.898 1.00 11.21 C ATOM 799 C MET A 50 3.688 2.319 3.335 1.00 73.14 C ATOM 800 O MET A 50 3.251 1.191 3.589 1.00 21.24 O ATOM 801 CB MET A 50 2.396 4.436 2.761 1.00 61.25 C ATOM 802 CG MET A 50 1.374 5.464 3.238 1.00 35.32 C ATOM 803 SD MET A 50 0.661 6.403 1.885 1.00 13.42 S ATOM 804 CE MET A 50 -0.756 7.131 2.696 1.00 51.11 C ATOM 0 H MET A 50 3.988 5.317 4.456 1.00 54.22 H new ATOM 0 HA MET A 50 2.152 3.219 4.516 1.00 11.21 H new ATOM 0 HB2 MET A 50 3.212 4.955 2.257 1.00 61.25 H new ATOM 0 HB3 MET A 50 1.927 3.787 2.022 1.00 61.25 H new ATOM 0 HG2 MET A 50 0.578 4.955 3.782 1.00 35.32 H new ATOM 0 HG3 MET A 50 1.852 6.148 3.939 1.00 35.32 H new ATOM 0 HE1 MET A 50 -1.052 8.038 2.168 1.00 51.11 H new ATOM 0 HE2 MET A 50 -1.583 6.421 2.690 1.00 51.11 H new ATOM 0 HE3 MET A 50 -0.498 7.379 3.726 1.00 51.11 H new ATOM 814 N GLU A 51 4.783 2.544 2.575 1.00 34.22 N ATOM 815 CA GLU A 51 5.613 1.461 2.005 1.00 44.30 C ATOM 816 C GLU A 51 6.156 0.524 3.110 1.00 23.52 C ATOM 817 O GLU A 51 6.202 -0.682 2.919 1.00 14.10 O ATOM 818 CB GLU A 51 6.789 2.056 1.175 1.00 61.02 C ATOM 819 CG GLU A 51 7.912 2.675 2.024 1.00 61.14 C ATOM 820 CD GLU A 51 8.985 3.385 1.205 1.00 12.30 C ATOM 821 OE1 GLU A 51 8.831 4.588 0.951 1.00 71.03 O ATOM 822 OE2 GLU A 51 9.989 2.742 0.821 1.00 72.22 O ATOM 0 H GLU A 51 5.115 3.479 2.340 1.00 34.22 H new ATOM 0 HA GLU A 51 4.979 0.869 1.345 1.00 44.30 H new ATOM 0 HB2 GLU A 51 7.213 1.269 0.551 1.00 61.02 H new ATOM 0 HB3 GLU A 51 6.395 2.818 0.503 1.00 61.02 H new ATOM 0 HG2 GLU A 51 7.475 3.385 2.725 1.00 61.14 H new ATOM 0 HG3 GLU A 51 8.381 1.890 2.617 1.00 61.14 H new ATOM 829 N LYS A 52 6.505 1.113 4.283 1.00 42.24 N ATOM 830 CA LYS A 52 7.112 0.390 5.420 1.00 75.10 C ATOM 831 C LYS A 52 6.104 -0.595 6.012 1.00 65.01 C ATOM 832 O LYS A 52 6.457 -1.723 6.367 1.00 3.43 O ATOM 833 CB LYS A 52 7.602 1.402 6.486 1.00 74.12 C ATOM 834 CG LYS A 52 8.309 0.783 7.717 1.00 0.00 C ATOM 835 CD LYS A 52 9.061 1.841 8.561 1.00 44.05 C ATOM 836 CE LYS A 52 10.228 2.490 7.787 1.00 72.11 C ATOM 837 NZ LYS A 52 10.940 3.515 8.591 1.00 71.23 N ATOM 0 H LYS A 52 6.371 2.108 4.463 1.00 42.24 H new ATOM 0 HA LYS A 52 7.973 -0.179 5.070 1.00 75.10 H new ATOM 0 HB2 LYS A 52 8.288 2.102 6.009 1.00 74.12 H new ATOM 0 HB3 LYS A 52 6.746 1.981 6.833 1.00 74.12 H new ATOM 0 HG2 LYS A 52 7.570 0.282 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.014 0.021 7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.361 2.616 8.875 1.00 44.05 H new ATOM 0 HD3 LYS A 52 9.445 1.373 9.467 1.00 44.05 H new ATOM 0 HE2 LYS A 52 10.933 1.717 7.483 1.00 72.11 H new ATOM 0 HE3 LYS A 52 9.845 2.949 6.875 1.00 72.11 H new ATOM 0 HZ1 LYS A 52 11.714 3.921 8.028 1.00 71.23 H new ATOM 0 HZ2 LYS A 52 10.275 4.268 8.860 1.00 71.23 H new ATOM 0 HZ3 LYS A 52 11.330 3.074 9.449 1.00 71.23 H new ATOM 851 N ALA A 53 4.841 -0.143 6.058 1.00 1.42 N ATOM 852 CA ALA A 53 3.695 -0.937 6.507 1.00 1.44 C ATOM 853 C ALA A 53 3.505 -2.169 5.609 1.00 75.40 C ATOM 854 O ALA A 53 3.385 -3.295 6.100 1.00 22.02 O ATOM 855 CB ALA A 53 2.436 -0.055 6.497 1.00 64.23 C ATOM 0 H ALA A 53 4.587 0.804 5.778 1.00 1.42 H new ATOM 0 HA ALA A 53 3.876 -1.292 7.522 1.00 1.44 H new ATOM 0 HB1 ALA A 53 1.579 -0.640 6.830 1.00 64.23 H new ATOM 0 HB2 ALA A 53 2.580 0.792 7.168 1.00 64.23 H new ATOM 0 HB3 ALA A 53 2.255 0.310 5.486 1.00 64.23 H new ATOM 861 N VAL A 54 3.521 -1.929 4.288 1.00 14.03 N ATOM 862 CA VAL A 54 3.373 -2.980 3.266 1.00 34.32 C ATOM 863 C VAL A 54 4.476 -4.065 3.417 1.00 21.41 C ATOM 864 O VAL A 54 4.180 -5.261 3.425 1.00 62.52 O ATOM 865 CB VAL A 54 3.413 -2.358 1.824 1.00 33.32 C ATOM 866 CG1 VAL A 54 3.255 -3.438 0.741 1.00 65.52 C ATOM 867 CG2 VAL A 54 2.345 -1.245 1.660 1.00 45.32 C ATOM 0 H VAL A 54 3.638 -0.995 3.896 1.00 14.03 H new ATOM 0 HA VAL A 54 2.404 -3.457 3.413 1.00 34.32 H new ATOM 0 HB VAL A 54 4.394 -1.901 1.694 1.00 33.32 H new ATOM 0 HG11 VAL A 54 3.287 -2.973 -0.244 1.00 65.52 H new ATOM 0 HG12 VAL A 54 4.066 -4.161 0.827 1.00 65.52 H new ATOM 0 HG13 VAL A 54 2.300 -3.947 0.871 1.00 65.52 H new ATOM 0 HG21 VAL A 54 2.399 -0.835 0.651 1.00 45.32 H new ATOM 0 HG22 VAL A 54 1.353 -1.665 1.829 1.00 45.32 H new ATOM 0 HG23 VAL A 54 2.532 -0.452 2.384 1.00 45.32 H new ATOM 877 N LYS A 55 5.737 -3.609 3.553 1.00 52.10 N ATOM 878 CA LYS A 55 6.931 -4.479 3.739 1.00 61.02 C ATOM 879 C LYS A 55 6.819 -5.404 4.981 1.00 72.35 C ATOM 880 O LYS A 55 7.409 -6.487 5.002 1.00 53.43 O ATOM 881 CB LYS A 55 8.213 -3.608 3.841 1.00 40.01 C ATOM 882 CG LYS A 55 8.511 -2.747 2.595 1.00 44.05 C ATOM 883 CD LYS A 55 9.679 -1.755 2.823 1.00 31.33 C ATOM 884 CE LYS A 55 9.896 -0.800 1.635 1.00 14.00 C ATOM 885 NZ LYS A 55 11.033 0.127 1.864 1.00 43.02 N ATOM 0 H LYS A 55 5.965 -2.615 3.538 1.00 52.10 H new ATOM 0 HA LYS A 55 6.988 -5.127 2.865 1.00 61.02 H new ATOM 0 HB2 LYS A 55 8.121 -2.951 4.706 1.00 40.01 H new ATOM 0 HB3 LYS A 55 9.066 -4.261 4.026 1.00 40.01 H new ATOM 0 HG2 LYS A 55 8.752 -3.400 1.756 1.00 44.05 H new ATOM 0 HG3 LYS A 55 7.615 -2.191 2.319 1.00 44.05 H new ATOM 0 HD2 LYS A 55 9.482 -1.170 3.721 1.00 31.33 H new ATOM 0 HD3 LYS A 55 10.596 -2.316 3.003 1.00 31.33 H new ATOM 0 HE2 LYS A 55 10.079 -1.382 0.732 1.00 14.00 H new ATOM 0 HE3 LYS A 55 8.987 -0.223 1.464 1.00 14.00 H new ATOM 0 HZ1 LYS A 55 10.774 1.081 1.539 1.00 43.02 H new ATOM 0 HZ2 LYS A 55 11.258 0.156 2.879 1.00 43.02 H new ATOM 0 HZ3 LYS A 55 11.864 -0.205 1.334 1.00 43.02 H new ATOM 899 N LYS A 56 6.067 -4.964 6.007 1.00 51.14 N ATOM 900 CA LYS A 56 5.833 -5.753 7.243 1.00 44.24 C ATOM 901 C LYS A 56 4.836 -6.906 6.999 1.00 70.04 C ATOM 902 O LYS A 56 4.913 -7.949 7.647 1.00 73.33 O ATOM 903 CB LYS A 56 5.318 -4.821 8.372 1.00 54.23 C ATOM 904 CG LYS A 56 6.344 -3.763 8.834 1.00 13.13 C ATOM 905 CD LYS A 56 7.535 -4.372 9.613 1.00 2.41 C ATOM 906 CE LYS A 56 7.125 -4.894 11.001 1.00 71.13 C ATOM 907 NZ LYS A 56 6.595 -3.805 11.870 1.00 41.21 N ATOM 0 H LYS A 56 5.604 -4.055 6.008 1.00 51.14 H new ATOM 0 HA LYS A 56 6.781 -6.198 7.547 1.00 44.24 H new ATOM 0 HB2 LYS A 56 4.418 -4.312 8.026 1.00 54.23 H new ATOM 0 HB3 LYS A 56 5.030 -5.431 9.229 1.00 54.23 H new ATOM 0 HG2 LYS A 56 6.723 -3.228 7.963 1.00 13.13 H new ATOM 0 HG3 LYS A 56 5.842 -3.030 9.465 1.00 13.13 H new ATOM 0 HD2 LYS A 56 7.965 -5.189 9.033 1.00 2.41 H new ATOM 0 HD3 LYS A 56 8.314 -3.618 9.727 1.00 2.41 H new ATOM 0 HE2 LYS A 56 6.367 -5.669 10.888 1.00 71.13 H new ATOM 0 HE3 LYS A 56 7.986 -5.357 11.484 1.00 71.13 H new ATOM 0 HZ1 LYS A 56 6.569 -4.130 12.857 1.00 41.21 H new ATOM 0 HZ2 LYS A 56 7.212 -2.971 11.796 1.00 41.21 H new ATOM 0 HZ3 LYS A 56 5.634 -3.553 11.563 1.00 41.21 H new ATOM 921 N VAL A 57 3.899 -6.690 6.069 1.00 21.54 N ATOM 922 CA VAL A 57 2.906 -7.704 5.647 1.00 15.03 C ATOM 923 C VAL A 57 3.551 -8.714 4.680 1.00 63.02 C ATOM 924 O VAL A 57 3.235 -9.908 4.698 1.00 35.10 O ATOM 925 CB VAL A 57 1.682 -7.008 4.948 1.00 62.33 C ATOM 926 CG1 VAL A 57 0.610 -8.025 4.486 1.00 11.21 C ATOM 927 CG2 VAL A 57 1.069 -5.936 5.869 1.00 23.44 C ATOM 0 H VAL A 57 3.802 -5.801 5.579 1.00 21.54 H new ATOM 0 HA VAL A 57 2.556 -8.234 6.533 1.00 15.03 H new ATOM 0 HB VAL A 57 2.059 -6.520 4.049 1.00 62.33 H new ATOM 0 HG11 VAL A 57 -0.214 -7.494 4.010 1.00 11.21 H new ATOM 0 HG12 VAL A 57 1.052 -8.722 3.774 1.00 11.21 H new ATOM 0 HG13 VAL A 57 0.236 -8.576 5.349 1.00 11.21 H new ATOM 0 HG21 VAL A 57 0.223 -5.466 5.367 1.00 23.44 H new ATOM 0 HG22 VAL A 57 0.729 -6.402 6.794 1.00 23.44 H new ATOM 0 HG23 VAL A 57 1.821 -5.181 6.099 1.00 23.44 H new ATOM 937 N LYS A 58 4.500 -8.215 3.877 1.00 53.55 N ATOM 938 CA LYS A 58 5.094 -8.963 2.769 1.00 11.11 C ATOM 939 C LYS A 58 6.549 -8.478 2.540 1.00 32.10 C ATOM 940 O LYS A 58 6.761 -7.396 1.985 1.00 44.43 O ATOM 941 CB LYS A 58 4.210 -8.833 1.489 1.00 70.23 C ATOM 942 CG LYS A 58 3.815 -7.392 1.088 1.00 50.41 C ATOM 943 CD LYS A 58 2.885 -7.303 -0.149 1.00 23.35 C ATOM 944 CE LYS A 58 3.548 -7.776 -1.464 1.00 32.42 C ATOM 945 NZ LYS A 58 3.712 -9.255 -1.562 1.00 33.43 N ATOM 0 H LYS A 58 4.878 -7.273 3.982 1.00 53.55 H new ATOM 0 HA LYS A 58 5.134 -10.024 3.015 1.00 11.11 H new ATOM 0 HB2 LYS A 58 4.743 -9.289 0.655 1.00 70.23 H new ATOM 0 HB3 LYS A 58 3.298 -9.411 1.640 1.00 70.23 H new ATOM 0 HG2 LYS A 58 3.320 -6.915 1.934 1.00 50.41 H new ATOM 0 HG3 LYS A 58 4.722 -6.822 0.887 1.00 50.41 H new ATOM 0 HD2 LYS A 58 1.994 -7.903 0.034 1.00 23.35 H new ATOM 0 HD3 LYS A 58 2.555 -6.271 -0.270 1.00 23.35 H new ATOM 0 HE2 LYS A 58 2.948 -7.431 -2.306 1.00 32.42 H new ATOM 0 HE3 LYS A 58 4.527 -7.305 -1.555 1.00 32.42 H new ATOM 0 HZ1 LYS A 58 4.724 -9.493 -1.560 1.00 33.43 H new ATOM 0 HZ2 LYS A 58 3.248 -9.710 -0.750 1.00 33.43 H new ATOM 0 HZ3 LYS A 58 3.278 -9.595 -2.444 1.00 33.43 H new ATOM 959 N PRO A 59 7.582 -9.241 3.033 1.00 23.25 N ATOM 960 CA PRO A 59 9.024 -8.933 2.793 1.00 23.54 C ATOM 961 C PRO A 59 9.390 -8.735 1.306 1.00 51.13 C ATOM 962 O PRO A 59 10.315 -7.978 0.988 1.00 35.23 O ATOM 963 CB PRO A 59 9.755 -10.159 3.385 1.00 72.40 C ATOM 964 CG PRO A 59 8.832 -10.661 4.456 1.00 71.25 C ATOM 965 CD PRO A 59 7.430 -10.429 3.924 1.00 1.50 C ATOM 0 HA PRO A 59 9.302 -7.983 3.250 1.00 23.54 H new ATOM 0 HB2 PRO A 59 9.934 -10.920 2.626 1.00 72.40 H new ATOM 0 HB3 PRO A 59 10.727 -9.883 3.795 1.00 72.40 H new ATOM 0 HG2 PRO A 59 9.005 -11.718 4.659 1.00 71.25 H new ATOM 0 HG3 PRO A 59 8.990 -10.126 5.393 1.00 71.25 H new ATOM 0 HD2 PRO A 59 7.061 -11.296 3.376 1.00 1.50 H new ATOM 0 HD3 PRO A 59 6.722 -10.237 4.730 1.00 1.50 H new ATOM 973 N ASN A 60 8.645 -9.399 0.401 1.00 21.50 N ATOM 974 CA ASN A 60 8.853 -9.284 -1.061 1.00 42.02 C ATOM 975 C ASN A 60 7.898 -8.213 -1.654 1.00 45.10 C ATOM 976 O ASN A 60 7.417 -8.333 -2.787 1.00 61.12 O ATOM 977 CB ASN A 60 8.642 -10.676 -1.737 1.00 2.41 C ATOM 978 CG ASN A 60 9.305 -10.787 -3.123 1.00 24.12 C ATOM 979 OD1 ASN A 60 10.455 -11.213 -3.250 1.00 21.02 O ATOM 980 ND2 ASN A 60 8.595 -10.398 -4.167 1.00 24.12 N ATOM 0 H ASN A 60 7.885 -10.028 0.658 1.00 21.50 H new ATOM 0 HA ASN A 60 9.876 -8.963 -1.259 1.00 42.02 H new ATOM 0 HB2 ASN A 60 9.044 -11.453 -1.086 1.00 2.41 H new ATOM 0 HB3 ASN A 60 7.573 -10.865 -1.837 1.00 2.41 H new ATOM 0 HD21 ASN A 60 8.996 -10.447 -5.103 1.00 24.12 H new ATOM 0 HD22 ASN A 60 7.645 -10.049 -4.037 1.00 24.12 H new ATOM 987 N ALA A 61 7.588 -7.167 -0.860 1.00 25.13 N ATOM 988 CA ALA A 61 6.875 -5.989 -1.369 1.00 21.01 C ATOM 989 C ALA A 61 7.702 -5.309 -2.473 1.00 34.32 C ATOM 990 O ALA A 61 8.769 -4.759 -2.206 1.00 52.42 O ATOM 991 CB ALA A 61 6.589 -5.007 -0.223 1.00 4.00 C ATOM 0 H ALA A 61 7.822 -7.119 0.132 1.00 25.13 H new ATOM 0 HA ALA A 61 5.923 -6.306 -1.795 1.00 21.01 H new ATOM 0 HB1 ALA A 61 6.060 -4.137 -0.613 1.00 4.00 H new ATOM 0 HB2 ALA A 61 5.974 -5.498 0.532 1.00 4.00 H new ATOM 0 HB3 ALA A 61 7.530 -4.688 0.226 1.00 4.00 H new ATOM 997 N THR A 62 7.213 -5.378 -3.718 1.00 10.21 N ATOM 998 CA THR A 62 7.821 -4.653 -4.836 1.00 44.23 C ATOM 999 C THR A 62 7.020 -3.365 -5.028 1.00 32.51 C ATOM 1000 O THR A 62 5.928 -3.369 -5.607 1.00 72.31 O ATOM 1001 CB THR A 62 7.835 -5.517 -6.136 1.00 53.12 C ATOM 1002 OG1 THR A 62 8.460 -6.787 -5.858 1.00 41.03 O ATOM 1003 CG2 THR A 62 8.581 -4.818 -7.294 1.00 11.34 C ATOM 0 H THR A 62 6.395 -5.931 -3.975 1.00 10.21 H new ATOM 0 HA THR A 62 8.864 -4.422 -4.617 1.00 44.23 H new ATOM 0 HB THR A 62 6.801 -5.660 -6.450 1.00 53.12 H new ATOM 0 HG1 THR A 62 8.469 -7.332 -6.672 1.00 41.03 H new ATOM 0 HG21 THR A 62 8.564 -5.458 -8.176 1.00 11.34 H new ATOM 0 HG22 THR A 62 8.092 -3.871 -7.523 1.00 11.34 H new ATOM 0 HG23 THR A 62 9.614 -4.631 -7.001 1.00 11.34 H new ATOM 1011 N ILE A 63 7.565 -2.276 -4.488 1.00 13.41 N ATOM 1012 CA ILE A 63 6.888 -0.982 -4.403 1.00 21.21 C ATOM 1013 C ILE A 63 7.490 -0.040 -5.449 1.00 55.23 C ATOM 1014 O ILE A 63 8.697 0.210 -5.445 1.00 53.22 O ATOM 1015 CB ILE A 63 7.036 -0.395 -2.943 1.00 71.43 C ATOM 1016 CG1 ILE A 63 6.515 -1.446 -1.907 1.00 71.12 C ATOM 1017 CG2 ILE A 63 6.290 0.962 -2.791 1.00 23.35 C ATOM 1018 CD1 ILE A 63 6.860 -1.160 -0.471 1.00 33.34 C ATOM 0 H ILE A 63 8.504 -2.267 -4.091 1.00 13.41 H new ATOM 0 HA ILE A 63 5.823 -1.096 -4.607 1.00 21.21 H new ATOM 0 HB ILE A 63 8.091 -0.196 -2.752 1.00 71.43 H new ATOM 0 HG12 ILE A 63 5.431 -1.513 -1.996 1.00 71.12 H new ATOM 0 HG13 ILE A 63 6.918 -2.424 -2.172 1.00 71.12 H new ATOM 0 HG21 ILE A 63 6.415 1.334 -1.774 1.00 23.35 H new ATOM 0 HG22 ILE A 63 6.703 1.685 -3.495 1.00 23.35 H new ATOM 0 HG23 ILE A 63 5.229 0.819 -2.997 1.00 23.35 H new ATOM 0 HD11 ILE A 63 6.453 -1.947 0.165 1.00 33.34 H new ATOM 0 HD12 ILE A 63 7.943 -1.125 -0.357 1.00 33.34 H new ATOM 0 HD13 ILE A 63 6.433 -0.201 -0.178 1.00 33.34 H new ATOM 1030 N ARG A 64 6.630 0.456 -6.344 1.00 51.41 N ATOM 1031 CA ARG A 64 7.028 1.310 -7.470 1.00 24.51 C ATOM 1032 C ARG A 64 6.694 2.750 -7.077 1.00 15.40 C ATOM 1033 O ARG A 64 5.519 3.114 -6.994 1.00 31.14 O ATOM 1034 CB ARG A 64 6.276 0.880 -8.761 1.00 52.34 C ATOM 1035 CG ARG A 64 6.433 -0.620 -9.108 1.00 23.15 C ATOM 1036 CD ARG A 64 5.625 -1.033 -10.351 1.00 71.34 C ATOM 1037 NE ARG A 64 6.188 -0.504 -11.612 1.00 40.32 N ATOM 1038 CZ ARG A 64 5.691 0.522 -12.328 1.00 15.24 C ATOM 1039 NH1 ARG A 64 4.602 1.178 -11.931 1.00 24.54 N ATOM 1040 NH2 ARG A 64 6.291 0.871 -13.453 1.00 55.33 N ATOM 0 H ARG A 64 5.627 0.275 -6.308 1.00 51.41 H new ATOM 0 HA ARG A 64 8.093 1.219 -7.682 1.00 24.51 H new ATOM 0 HB2 ARG A 64 5.216 1.107 -8.645 1.00 52.34 H new ATOM 0 HB3 ARG A 64 6.640 1.476 -9.598 1.00 52.34 H new ATOM 0 HG2 ARG A 64 7.487 -0.841 -9.276 1.00 23.15 H new ATOM 0 HG3 ARG A 64 6.113 -1.221 -8.256 1.00 23.15 H new ATOM 0 HD2 ARG A 64 5.585 -2.121 -10.406 1.00 71.34 H new ATOM 0 HD3 ARG A 64 4.599 -0.682 -10.243 1.00 71.34 H new ATOM 0 HE ARG A 64 7.028 -0.957 -11.971 1.00 40.32 H new ATOM 0 HH11 ARG A 64 4.128 0.906 -11.070 1.00 24.54 H new ATOM 0 HH12 ARG A 64 4.242 1.953 -12.488 1.00 24.54 H new ATOM 0 HH21 ARG A 64 7.119 0.365 -13.768 1.00 55.33 H new ATOM 0 HH22 ARG A 64 5.926 1.646 -14.006 1.00 55.33 H new ATOM 1054 N LYS A 65 7.733 3.534 -6.773 1.00 73.14 N ATOM 1055 CA LYS A 65 7.598 4.905 -6.257 1.00 72.44 C ATOM 1056 C LYS A 65 7.945 5.930 -7.339 1.00 14.35 C ATOM 1057 O LYS A 65 8.739 5.654 -8.242 1.00 62.32 O ATOM 1058 CB LYS A 65 8.514 5.119 -5.025 1.00 62.41 C ATOM 1059 CG LYS A 65 8.195 4.209 -3.812 1.00 32.10 C ATOM 1060 CD LYS A 65 8.947 4.658 -2.539 1.00 33.41 C ATOM 1061 CE LYS A 65 8.591 6.098 -2.123 1.00 13.20 C ATOM 1062 NZ LYS A 65 9.438 6.580 -1.011 1.00 60.33 N ATOM 0 H LYS A 65 8.702 3.234 -6.878 1.00 73.14 H new ATOM 0 HA LYS A 65 6.560 5.047 -5.957 1.00 72.44 H new ATOM 0 HB2 LYS A 65 9.548 4.951 -5.325 1.00 62.41 H new ATOM 0 HB3 LYS A 65 8.439 6.160 -4.710 1.00 62.41 H new ATOM 0 HG2 LYS A 65 7.122 4.221 -3.622 1.00 32.10 H new ATOM 0 HG3 LYS A 65 8.466 3.180 -4.049 1.00 32.10 H new ATOM 0 HD2 LYS A 65 8.710 3.977 -1.721 1.00 33.41 H new ATOM 0 HD3 LYS A 65 10.021 4.588 -2.711 1.00 33.41 H new ATOM 0 HE2 LYS A 65 8.706 6.762 -2.980 1.00 13.20 H new ATOM 0 HE3 LYS A 65 7.543 6.141 -1.825 1.00 13.20 H new ATOM 0 HZ1 LYS A 65 9.031 7.452 -0.617 1.00 60.33 H new ATOM 0 HZ2 LYS A 65 9.483 5.853 -0.269 1.00 60.33 H new ATOM 0 HZ3 LYS A 65 10.397 6.774 -1.364 1.00 60.33 H new ATOM 1076 N THR A 66 7.341 7.117 -7.218 1.00 72.23 N ATOM 1077 CA THR A 66 7.591 8.251 -8.105 1.00 31.55 C ATOM 1078 C THR A 66 7.186 9.545 -7.369 1.00 54.13 C ATOM 1079 O THR A 66 6.118 9.607 -6.733 1.00 22.12 O ATOM 1080 CB THR A 66 6.841 8.111 -9.480 1.00 11.22 C ATOM 1081 OG1 THR A 66 7.197 9.197 -10.351 1.00 72.52 O ATOM 1082 CG2 THR A 66 5.309 8.053 -9.327 1.00 2.30 C ATOM 0 H THR A 66 6.655 7.317 -6.490 1.00 72.23 H new ATOM 0 HA THR A 66 8.653 8.282 -8.349 1.00 31.55 H new ATOM 0 HB THR A 66 7.158 7.162 -9.912 1.00 11.22 H new ATOM 0 HG1 THR A 66 6.726 9.099 -11.205 1.00 72.52 H new ATOM 0 HG21 THR A 66 4.849 7.956 -10.310 1.00 2.30 H new ATOM 0 HG22 THR A 66 5.037 7.195 -8.713 1.00 2.30 H new ATOM 0 HG23 THR A 66 4.956 8.967 -8.849 1.00 2.30 H new ATOM 1090 N GLY A 67 8.075 10.551 -7.416 1.00 15.13 N ATOM 1091 CA GLY A 67 7.858 11.829 -6.745 1.00 63.22 C ATOM 1092 C GLY A 67 6.935 12.739 -7.541 1.00 1.12 C ATOM 1093 O GLY A 67 7.395 13.706 -8.159 1.00 42.34 O ATOM 0 H GLY A 67 8.960 10.495 -7.921 1.00 15.13 H new ATOM 0 HA2 GLY A 67 7.431 11.653 -5.758 1.00 63.22 H new ATOM 0 HA3 GLY A 67 8.816 12.327 -6.593 1.00 63.22 H new ATOM 1097 N GLY A 68 5.624 12.413 -7.530 1.00 43.12 N ATOM 1098 CA GLY A 68 4.611 13.179 -8.260 1.00 71.15 C ATOM 1099 C GLY A 68 4.120 14.390 -7.472 1.00 33.01 C ATOM 1100 O GLY A 68 2.926 14.496 -7.170 1.00 74.15 O ATOM 0 H GLY A 68 5.248 11.616 -7.016 1.00 43.12 H new ATOM 0 HA2 GLY A 68 5.026 13.512 -9.211 1.00 71.15 H new ATOM 0 HA3 GLY A 68 3.765 12.531 -8.490 1.00 71.15 H new ATOM 1104 N SER A 69 5.044 15.312 -7.153 1.00 32.04 N ATOM 1105 CA SER A 69 4.755 16.502 -6.341 1.00 21.21 C ATOM 1106 C SER A 69 4.300 17.662 -7.252 1.00 24.52 C ATOM 1107 O SER A 69 5.123 18.442 -7.746 1.00 12.50 O ATOM 1108 CB SER A 69 6.011 16.889 -5.518 1.00 63.02 C ATOM 1109 OG SER A 69 5.800 18.038 -4.707 1.00 75.12 O ATOM 0 H SER A 69 6.017 15.251 -7.454 1.00 32.04 H new ATOM 0 HA SER A 69 3.945 16.284 -5.645 1.00 21.21 H new ATOM 0 HB2 SER A 69 6.299 16.050 -4.885 1.00 63.02 H new ATOM 0 HB3 SER A 69 6.843 17.076 -6.197 1.00 63.02 H new ATOM 0 HG SER A 69 6.618 18.241 -4.207 1.00 75.12 H new ATOM 1115 N LEU A 70 2.985 17.720 -7.518 1.00 62.21 N ATOM 1116 CA LEU A 70 2.353 18.800 -8.301 1.00 22.33 C ATOM 1117 C LEU A 70 2.199 20.062 -7.431 1.00 33.54 C ATOM 1118 O LEU A 70 1.756 19.981 -6.280 1.00 32.22 O ATOM 1119 CB LEU A 70 0.972 18.349 -8.890 1.00 54.12 C ATOM 1120 CG LEU A 70 1.020 17.387 -10.137 1.00 52.22 C ATOM 1121 CD1 LEU A 70 1.871 17.993 -11.283 1.00 13.21 C ATOM 1122 CD2 LEU A 70 1.506 15.961 -9.763 1.00 53.20 C ATOM 0 H LEU A 70 2.324 17.014 -7.194 1.00 62.21 H new ATOM 0 HA LEU A 70 3.001 19.035 -9.145 1.00 22.33 H new ATOM 0 HB2 LEU A 70 0.409 17.854 -8.099 1.00 54.12 H new ATOM 0 HB3 LEU A 70 0.412 19.242 -9.169 1.00 54.12 H new ATOM 0 HG LEU A 70 -0.003 17.285 -10.498 1.00 52.22 H new ATOM 0 HD11 LEU A 70 1.885 17.306 -12.129 1.00 13.21 H new ATOM 0 HD12 LEU A 70 1.438 18.943 -11.595 1.00 13.21 H new ATOM 0 HD13 LEU A 70 2.890 18.157 -10.932 1.00 13.21 H new ATOM 0 HD21 LEU A 70 1.522 15.336 -10.656 1.00 53.20 H new ATOM 0 HD22 LEU A 70 2.510 16.017 -9.342 1.00 53.20 H new ATOM 0 HD23 LEU A 70 0.828 15.527 -9.028 1.00 53.20 H new ATOM 1134 N GLU A 71 2.556 21.214 -8.014 1.00 11.33 N ATOM 1135 CA GLU A 71 2.643 22.506 -7.310 1.00 72.23 C ATOM 1136 C GLU A 71 1.247 23.049 -6.958 1.00 24.55 C ATOM 1137 O GLU A 71 0.448 23.301 -7.860 1.00 1.14 O ATOM 1138 CB GLU A 71 3.364 23.534 -8.221 1.00 0.40 C ATOM 1139 CG GLU A 71 4.774 23.105 -8.678 1.00 51.23 C ATOM 1140 CD GLU A 71 5.321 23.968 -9.832 1.00 11.10 C ATOM 1141 OE1 GLU A 71 5.728 25.125 -9.587 1.00 60.13 O ATOM 1142 OE2 GLU A 71 5.313 23.503 -10.998 1.00 61.41 O ATOM 0 H GLU A 71 2.797 21.278 -9.003 1.00 11.33 H new ATOM 0 HA GLU A 71 3.198 22.352 -6.385 1.00 72.23 H new ATOM 0 HB2 GLU A 71 2.749 23.713 -9.103 1.00 0.40 H new ATOM 0 HB3 GLU A 71 3.441 24.482 -7.688 1.00 0.40 H new ATOM 0 HG2 GLU A 71 5.458 23.164 -7.831 1.00 51.23 H new ATOM 0 HG3 GLU A 71 4.746 22.062 -8.993 1.00 51.23 H new ATOM 1149 N HIS A 72 0.956 23.208 -5.653 1.00 53.54 N ATOM 1150 CA HIS A 72 -0.208 23.997 -5.185 1.00 44.15 C ATOM 1151 C HIS A 72 0.297 25.416 -4.835 1.00 40.13 C ATOM 1152 O HIS A 72 0.447 25.804 -3.675 1.00 2.34 O ATOM 1153 CB HIS A 72 -0.966 23.292 -4.015 1.00 61.13 C ATOM 1154 CG HIS A 72 -0.158 22.988 -2.772 1.00 22.43 C ATOM 1155 ND1 HIS A 72 -0.154 23.809 -1.664 1.00 63.14 N ATOM 1156 CD2 HIS A 72 0.647 21.940 -2.456 1.00 32.12 C ATOM 1157 CE1 HIS A 72 0.606 23.282 -0.730 1.00 12.33 C ATOM 1158 NE2 HIS A 72 1.106 22.151 -1.182 1.00 35.14 N ATOM 0 H HIS A 72 1.510 22.801 -4.900 1.00 53.54 H new ATOM 0 HA HIS A 72 -0.957 24.076 -5.973 1.00 44.15 H new ATOM 0 HB2 HIS A 72 -1.810 23.920 -3.728 1.00 61.13 H new ATOM 0 HB3 HIS A 72 -1.378 22.356 -4.391 1.00 61.13 H new ATOM 0 HD2 HIS A 72 0.881 21.098 -3.090 1.00 32.12 H new ATOM 0 HE1 HIS A 72 0.790 23.706 0.246 1.00 12.33 H new ATOM 0 HE2 HIS A 72 1.733 21.532 -0.668 1.00 35.14 H new ATOM 1167 N HIS A 73 0.622 26.164 -5.898 1.00 44.35 N ATOM 1168 CA HIS A 73 1.396 27.421 -5.817 1.00 3.11 C ATOM 1169 C HIS A 73 0.482 28.668 -5.958 1.00 55.30 C ATOM 1170 O HIS A 73 0.966 29.784 -6.149 1.00 40.11 O ATOM 1171 CB HIS A 73 2.513 27.375 -6.910 1.00 54.23 C ATOM 1172 CG HIS A 73 3.524 28.502 -6.842 1.00 33.14 C ATOM 1173 ND1 HIS A 73 3.557 29.541 -7.750 1.00 44.02 N ATOM 1174 CD2 HIS A 73 4.522 28.757 -5.960 1.00 31.55 C ATOM 1175 CE1 HIS A 73 4.531 30.371 -7.437 1.00 70.52 C ATOM 1176 NE2 HIS A 73 5.125 29.920 -6.356 1.00 35.42 N ATOM 0 H HIS A 73 0.355 25.915 -6.850 1.00 44.35 H new ATOM 0 HA HIS A 73 1.859 27.510 -4.834 1.00 3.11 H new ATOM 0 HB2 HIS A 73 3.043 26.426 -6.826 1.00 54.23 H new ATOM 0 HB3 HIS A 73 2.040 27.390 -7.892 1.00 54.23 H new ATOM 0 HD2 HIS A 73 4.791 28.155 -5.105 1.00 31.55 H new ATOM 0 HE1 HIS A 73 4.796 31.268 -7.977 1.00 70.52 H new ATOM 0 HE2 HIS A 73 5.912 30.366 -5.885 1.00 35.42 H new ATOM 1185 N HIS A 74 -0.846 28.490 -5.813 1.00 3.21 N ATOM 1186 CA HIS A 74 -1.808 29.629 -5.824 1.00 43.12 C ATOM 1187 C HIS A 74 -1.689 30.477 -4.533 1.00 53.03 C ATOM 1188 O HIS A 74 -2.260 31.569 -4.482 1.00 34.00 O ATOM 1189 CB HIS A 74 -3.278 29.144 -5.994 1.00 23.34 C ATOM 1190 CG HIS A 74 -3.641 28.673 -7.379 1.00 53.44 C ATOM 1191 ND1 HIS A 74 -4.815 29.032 -8.015 1.00 55.23 N ATOM 1192 CD2 HIS A 74 -3.002 27.848 -8.239 1.00 71.55 C ATOM 1193 CE1 HIS A 74 -4.876 28.444 -9.192 1.00 12.52 C ATOM 1194 NE2 HIS A 74 -3.791 27.723 -9.351 1.00 73.01 N ATOM 0 H HIS A 74 -1.283 27.577 -5.687 1.00 3.21 H new ATOM 0 HA HIS A 74 -1.548 30.248 -6.682 1.00 43.12 H new ATOM 0 HB2 HIS A 74 -3.459 28.330 -5.292 1.00 23.34 H new ATOM 0 HB3 HIS A 74 -3.947 29.959 -5.717 1.00 23.34 H new ATOM 0 HD2 HIS A 74 -2.045 27.374 -8.078 1.00 71.55 H new ATOM 0 HE1 HIS A 74 -5.682 28.539 -9.905 1.00 12.52 H new ATOM 0 HE2 HIS A 74 -3.571 27.159 -10.172 1.00 73.01 H new ATOM 1203 N HIS A 75 -0.982 29.924 -3.500 1.00 42.53 N ATOM 1204 CA HIS A 75 -0.723 30.579 -2.182 1.00 72.33 C ATOM 1205 C HIS A 75 -1.991 30.550 -1.281 1.00 32.34 C ATOM 1206 O HIS A 75 -2.005 31.089 -0.172 1.00 21.12 O ATOM 1207 CB HIS A 75 -0.148 32.024 -2.379 1.00 33.42 C ATOM 1208 CG HIS A 75 0.288 32.735 -1.127 1.00 64.32 C ATOM 1209 ND1 HIS A 75 -0.358 33.851 -0.643 1.00 22.33 N ATOM 1210 CD2 HIS A 75 1.296 32.492 -0.260 1.00 31.42 C ATOM 1211 CE1 HIS A 75 0.233 34.262 0.453 1.00 72.33 C ATOM 1212 NE2 HIS A 75 1.238 33.456 0.711 1.00 70.22 N ATOM 0 H HIS A 75 -0.570 28.993 -3.564 1.00 42.53 H new ATOM 0 HA HIS A 75 0.041 30.008 -1.655 1.00 72.33 H new ATOM 0 HB2 HIS A 75 0.704 31.966 -3.056 1.00 33.42 H new ATOM 0 HB3 HIS A 75 -0.906 32.631 -2.873 1.00 33.42 H new ATOM 0 HD2 HIS A 75 2.014 31.687 -0.322 1.00 31.42 H new ATOM 0 HE1 HIS A 75 -0.057 35.118 1.044 1.00 72.33 H new ATOM 0 HE2 HIS A 75 1.872 33.535 1.506 1.00 70.22 H new ATOM 1221 N HIS A 76 -3.035 29.851 -1.758 1.00 35.03 N ATOM 1222 CA HIS A 76 -4.335 29.695 -1.065 1.00 40.42 C ATOM 1223 C HIS A 76 -4.548 28.212 -0.690 1.00 42.02 C ATOM 1224 O HIS A 76 -3.593 27.441 -0.686 1.00 70.13 O ATOM 1225 CB HIS A 76 -5.478 30.201 -1.985 1.00 12.13 C ATOM 1226 CG HIS A 76 -5.501 31.691 -2.211 1.00 74.51 C ATOM 1227 ND1 HIS A 76 -6.185 32.565 -1.393 1.00 25.50 N ATOM 1228 CD2 HIS A 76 -4.931 32.458 -3.167 1.00 60.44 C ATOM 1229 CE1 HIS A 76 -6.041 33.792 -1.843 1.00 43.31 C ATOM 1230 NE2 HIS A 76 -5.283 33.754 -2.915 1.00 74.34 N ATOM 0 H HIS A 76 -3.003 29.367 -2.655 1.00 35.03 H new ATOM 0 HA HIS A 76 -4.339 30.287 -0.150 1.00 40.42 H new ATOM 0 HB2 HIS A 76 -5.394 29.703 -2.951 1.00 12.13 H new ATOM 0 HB3 HIS A 76 -6.432 29.899 -1.553 1.00 12.13 H new ATOM 0 HD2 HIS A 76 -4.311 32.110 -3.980 1.00 60.44 H new ATOM 0 HE1 HIS A 76 -6.473 34.680 -1.406 1.00 43.31 H new ATOM 0 HE2 HIS A 76 -5.002 34.562 -3.470 1.00 74.34 H new ATOM 1239 N HIS A 77 -5.793 27.826 -0.325 1.00 1.51 N ATOM 1240 CA HIS A 77 -6.166 26.402 -0.142 1.00 42.33 C ATOM 1241 C HIS A 77 -6.805 25.866 -1.447 1.00 61.31 C ATOM 1242 O HIS A 77 -7.853 26.397 -1.876 1.00 62.31 O ATOM 1243 CB HIS A 77 -7.074 26.196 1.112 1.00 72.13 C ATOM 1244 CG HIS A 77 -8.288 27.096 1.236 1.00 11.34 C ATOM 1245 ND1 HIS A 77 -8.300 28.234 2.015 1.00 62.01 N ATOM 1246 CD2 HIS A 77 -9.543 26.997 0.723 1.00 72.44 C ATOM 1247 CE1 HIS A 77 -9.495 28.782 1.983 1.00 42.44 C ATOM 1248 NE2 HIS A 77 -10.265 28.056 1.205 1.00 10.41 N ATOM 1249 OXT HIS A 77 -6.221 24.954 -2.071 1.00 38.13 O ATOM 0 H HIS A 77 -6.556 28.480 -0.151 1.00 1.51 H new ATOM 0 HA HIS A 77 -5.267 25.818 0.055 1.00 42.33 H new ATOM 0 HB2 HIS A 77 -7.417 25.161 1.116 1.00 72.13 H new ATOM 0 HB3 HIS A 77 -6.459 26.331 2.002 1.00 72.13 H new ATOM 0 HD2 HIS A 77 -9.904 26.226 0.058 1.00 72.44 H new ATOM 0 HE1 HIS A 77 -9.793 29.678 2.508 1.00 42.44 H new ATOM 0 HE2 HIS A 77 -11.244 28.250 0.994 1.00 10.41 H new TER 1258 HIS A 77