USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 730 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 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 29 SER OG : rot 160:sc= 0 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.101) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.77 (180deg=0.499) USER MOD Single : A 14 ASN : amide:sc=-0.000793 K(o=-0.00079,f=-0.67) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 0.482 (180deg=0.324) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -123:sc= 0.543 (180deg=-1.29!) USER MOD Single : A 36 TYR OH : rot -90:sc= 0.00368 USER MOD Single : A 46 SER OG : rot -24:sc= 1.25 USER MOD Single : A 47 MET CE :methyl 180:sc= -0.289 (180deg=-0.289) USER MOD Single : A 53 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 55 LYS NZ :NH3+ 141:sc= -0.252 (180deg=-2.27!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 0:sc= 1.85 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 130:sc= -0.0316 USER MOD Single : A 69 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 71 ASN : amide:sc= 0.357 K(o=0.36,f=-3.2!) USER MOD Single : A 76 MET CE :methyl -170:sc= -1.09 (180deg=-1.17) USER MOD Single : A 79 GLN : amide:sc=-0.00645 X(o=-0.0064,f=-0.0064) USER MOD Single : A 81 MET CE :methyl -166:sc= -0.0388 (180deg=-0.71) USER MOD Single : A 84 GLN : amide:sc= -0.0229 X(o=-0.023,f=-0.27) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 89 THR OG1 : rot 75:sc= 0.912 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.479 11.331 5.383 1.00 1.00 N ATOM 2 CA MET A 1 -8.161 12.583 5.019 1.00 1.00 C ATOM 3 C MET A 1 -8.040 12.834 3.516 1.00 1.00 C ATOM 4 O MET A 1 -6.934 13.009 2.998 1.00 1.00 O ATOM 5 CB MET A 1 -7.620 13.741 5.868 1.00 1.00 C ATOM 6 CG MET A 1 -8.417 15.043 5.716 1.00 1.00 C ATOM 7 SD MET A 1 -8.200 15.951 4.160 1.00 1.00 S ATOM 8 CE MET A 1 -6.495 16.545 4.354 1.00 1.00 C ATOM 0 H1 MET A 1 -7.375 11.280 6.417 1.00 1.00 H new ATOM 0 H2 MET A 1 -8.040 10.521 5.051 1.00 1.00 H new ATOM 0 H3 MET A 1 -6.539 11.306 4.939 1.00 1.00 H new ATOM 0 HA MET A 1 -9.226 12.502 5.236 1.00 1.00 H new ATOM 0 HB2 MET A 1 -7.624 13.444 6.917 1.00 1.00 H new ATOM 0 HB3 MET A 1 -6.582 13.927 5.593 1.00 1.00 H new ATOM 0 HG2 MET A 1 -9.476 14.810 5.830 1.00 1.00 H new ATOM 0 HG3 MET A 1 -8.147 15.706 6.538 1.00 1.00 H new ATOM 0 HE1 MET A 1 -6.269 17.266 3.568 1.00 1.00 H new ATOM 0 HE2 MET A 1 -6.385 17.023 5.327 1.00 1.00 H new ATOM 0 HE3 MET A 1 -5.806 15.703 4.283 1.00 1.00 H new ATOM 20 N GLY A 2 -9.166 12.872 2.800 1.00 1.00 N ATOM 21 CA GLY A 2 -9.215 12.986 1.343 1.00 1.00 C ATOM 22 C GLY A 2 -9.401 11.585 0.783 1.00 1.00 C ATOM 23 O GLY A 2 -8.766 10.662 1.286 1.00 1.00 O ATOM 0 H GLY A 2 -10.090 12.823 3.229 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -10.036 13.634 1.036 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -8.297 13.433 0.962 1.00 1.00 H new ATOM 27 N ARG A 3 -10.180 11.419 -0.293 1.00 1.00 N ATOM 28 CA ARG A 3 -10.541 10.114 -0.863 1.00 1.00 C ATOM 29 C ARG A 3 -9.370 9.162 -1.005 1.00 1.00 C ATOM 30 O ARG A 3 -9.492 8.017 -0.593 1.00 1.00 O ATOM 31 CB ARG A 3 -11.236 10.286 -2.217 1.00 1.00 C ATOM 32 CG ARG A 3 -12.628 10.933 -2.120 1.00 1.00 C ATOM 33 CD ARG A 3 -13.757 9.899 -2.078 1.00 1.00 C ATOM 34 NE ARG A 3 -13.743 9.092 -0.842 1.00 1.00 N ATOM 35 CZ ARG A 3 -13.841 7.758 -0.750 1.00 1.00 C ATOM 36 NH1 ARG A 3 -13.834 6.988 -1.831 1.00 1.00 N ATOM 37 NH2 ARG A 3 -13.953 7.186 0.439 1.00 1.00 N ATOM 0 H ARG A 3 -10.586 12.204 -0.803 1.00 1.00 H new ATOM 0 HA ARG A 3 -11.227 9.661 -0.147 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -10.606 10.896 -2.864 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.331 9.310 -2.693 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.675 11.553 -1.225 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -12.777 11.594 -2.974 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -14.716 10.410 -2.163 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -13.671 9.238 -2.940 1.00 1.00 H new ATOM 0 HE ARG A 3 -13.649 9.604 0.035 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -13.753 7.409 -2.757 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -13.910 5.975 -1.736 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -13.965 7.760 1.282 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -14.028 6.171 0.512 1.00 1.00 H new ATOM 51 N ALA A 4 -8.249 9.638 -1.546 1.00 1.00 N ATOM 52 CA ALA A 4 -7.044 8.828 -1.699 1.00 1.00 C ATOM 53 C ALA A 4 -6.628 8.220 -0.362 1.00 1.00 C ATOM 54 O ALA A 4 -6.543 7.005 -0.215 1.00 1.00 O ATOM 55 CB ALA A 4 -5.917 9.691 -2.283 1.00 1.00 C ATOM 0 H ALA A 4 -8.152 10.594 -1.889 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.251 8.007 -2.385 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.017 9.086 -2.397 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -6.221 10.077 -3.256 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.711 10.524 -1.611 1.00 1.00 H new ATOM 61 N ARG A 5 -6.366 9.076 0.624 1.00 1.00 N ATOM 62 CA ARG A 5 -5.919 8.644 1.939 1.00 1.00 C ATOM 63 C ARG A 5 -6.988 7.796 2.611 1.00 1.00 C ATOM 64 O ARG A 5 -6.669 6.801 3.246 1.00 1.00 O ATOM 65 CB ARG A 5 -5.620 9.859 2.817 1.00 1.00 C ATOM 66 CG ARG A 5 -4.672 10.891 2.201 1.00 1.00 C ATOM 67 CD ARG A 5 -4.013 11.608 3.390 1.00 1.00 C ATOM 68 NE ARG A 5 -3.222 12.778 3.023 1.00 1.00 N ATOM 69 CZ ARG A 5 -2.168 13.251 3.703 1.00 1.00 C ATOM 70 NH1 ARG A 5 -1.611 12.581 4.707 1.00 1.00 N ATOM 71 NH2 ARG A 5 -1.657 14.419 3.352 1.00 1.00 N ATOM 0 H ARG A 5 -6.459 10.087 0.530 1.00 1.00 H new ATOM 0 HA ARG A 5 -5.014 8.050 1.814 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.561 10.353 3.059 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.192 9.511 3.757 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -3.925 10.409 1.570 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.215 11.595 1.571 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -4.790 11.915 4.090 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -3.371 10.901 3.915 1.00 1.00 H new ATOM 0 HE ARG A 5 -3.494 13.279 2.177 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -1.985 11.673 4.984 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -0.810 12.975 5.200 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -2.065 14.942 2.577 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -0.855 14.797 3.856 1.00 1.00 H new ATOM 85 N ASP A 6 -8.246 8.204 2.494 1.00 1.00 N ATOM 86 CA ASP A 6 -9.386 7.585 3.151 1.00 1.00 C ATOM 87 C ASP A 6 -9.553 6.155 2.648 1.00 1.00 C ATOM 88 O ASP A 6 -9.817 5.253 3.443 1.00 1.00 O ATOM 89 CB ASP A 6 -10.655 8.424 2.909 1.00 1.00 C ATOM 90 CG ASP A 6 -10.616 9.816 3.557 1.00 1.00 C ATOM 91 OD1 ASP A 6 -9.733 10.105 4.398 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.463 10.676 3.216 1.00 1.00 O ATOM 0 H ASP A 6 -8.507 9.004 1.918 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.215 7.548 4.227 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.803 8.538 1.835 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.517 7.879 3.294 1.00 1.00 H new ATOM 97 N ALA A 7 -9.358 5.942 1.344 1.00 1.00 N ATOM 98 CA ALA A 7 -9.452 4.647 0.698 1.00 1.00 C ATOM 99 C ALA A 7 -8.236 3.768 1.007 1.00 1.00 C ATOM 100 O ALA A 7 -8.426 2.577 1.236 1.00 1.00 O ATOM 101 CB ALA A 7 -9.629 4.847 -0.810 1.00 1.00 C ATOM 0 H ALA A 7 -9.124 6.694 0.696 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.321 4.121 1.093 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.700 3.876 -1.300 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.540 5.415 -0.997 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.773 5.392 -1.208 1.00 1.00 H new ATOM 107 N ILE A 8 -7.006 4.311 1.021 1.00 1.00 N ATOM 108 CA ILE A 8 -5.821 3.531 1.412 1.00 1.00 C ATOM 109 C ILE A 8 -6.028 3.064 2.855 1.00 1.00 C ATOM 110 O ILE A 8 -5.872 1.876 3.122 1.00 1.00 O ATOM 111 CB ILE A 8 -4.485 4.301 1.205 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.285 4.719 -0.273 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.254 3.506 1.667 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.390 5.959 -0.412 1.00 1.00 C ATOM 0 H ILE A 8 -6.808 5.279 0.768 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.723 2.665 0.758 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.571 5.191 1.829 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.842 3.890 -0.826 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.256 4.922 -0.725 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.354 4.097 1.496 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.344 3.281 2.730 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.189 2.575 1.103 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.280 6.212 -1.467 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.844 6.797 0.117 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.409 5.749 0.015 1.00 1.00 H new ATOM 126 N LEU A 9 -6.448 3.967 3.748 1.00 1.00 N ATOM 127 CA LEU A 9 -6.767 3.683 5.143 1.00 1.00 C ATOM 128 C LEU A 9 -7.753 2.515 5.206 1.00 1.00 C ATOM 129 O LEU A 9 -7.425 1.477 5.775 1.00 1.00 O ATOM 130 CB LEU A 9 -7.261 4.974 5.825 1.00 1.00 C ATOM 131 CG LEU A 9 -7.275 5.025 7.363 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.137 3.966 8.025 1.00 1.00 C ATOM 133 CD2 LEU A 9 -5.871 4.923 7.956 1.00 1.00 C ATOM 0 H LEU A 9 -6.578 4.949 3.506 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.886 3.366 5.701 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.640 5.796 5.470 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.275 5.167 5.476 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.715 5.999 7.577 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -8.085 4.080 9.108 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.170 4.081 7.697 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -7.775 2.976 7.746 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -5.932 4.963 9.044 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -5.416 3.980 7.653 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.263 5.752 7.595 1.00 1.00 H new ATOM 145 N ASP A 10 -8.925 2.648 4.577 1.00 1.00 N ATOM 146 CA ASP A 10 -9.981 1.629 4.611 1.00 1.00 C ATOM 147 C ASP A 10 -9.520 0.291 4.039 1.00 1.00 C ATOM 148 O ASP A 10 -9.937 -0.761 4.531 1.00 1.00 O ATOM 149 CB ASP A 10 -11.229 2.080 3.835 1.00 1.00 C ATOM 150 CG ASP A 10 -12.146 3.022 4.608 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.044 3.134 5.855 1.00 1.00 O ATOM 152 OD2 ASP A 10 -13.013 3.659 3.974 1.00 1.00 O ATOM 0 H ASP A 10 -9.170 3.471 4.026 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.226 1.499 5.665 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.912 2.574 2.917 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.798 1.198 3.542 1.00 1.00 H new ATOM 157 N ALA A 11 -8.680 0.319 3.002 1.00 1.00 N ATOM 158 CA ALA A 11 -8.088 -0.868 2.418 1.00 1.00 C ATOM 159 C ALA A 11 -7.223 -1.579 3.454 1.00 1.00 C ATOM 160 O ALA A 11 -7.426 -2.769 3.670 1.00 1.00 O ATOM 161 CB ALA A 11 -7.303 -0.502 1.155 1.00 1.00 C ATOM 0 H ALA A 11 -8.393 1.184 2.544 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.874 -1.561 2.117 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.863 -1.402 0.726 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -7.975 -0.045 0.429 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.511 0.202 1.410 1.00 1.00 H new ATOM 167 N LEU A 12 -6.299 -0.871 4.115 1.00 1.00 N ATOM 168 CA LEU A 12 -5.415 -1.469 5.118 1.00 1.00 C ATOM 169 C LEU A 12 -6.251 -2.071 6.244 1.00 1.00 C ATOM 170 O LEU A 12 -5.954 -3.160 6.719 1.00 1.00 O ATOM 171 CB LEU A 12 -4.476 -0.461 5.755 1.00 1.00 C ATOM 172 CG LEU A 12 -3.366 0.094 4.850 1.00 1.00 C ATOM 173 CD1 LEU A 12 -3.312 -0.373 3.378 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.411 1.616 4.932 1.00 1.00 C ATOM 0 H LEU A 12 -6.145 0.127 3.970 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.825 -2.221 4.594 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -5.069 0.376 6.123 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -4.010 -0.927 6.623 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.446 -0.335 5.247 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -2.474 0.108 2.874 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -3.183 -1.455 3.344 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -4.241 -0.102 2.876 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.632 2.038 4.297 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.385 1.970 4.594 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.249 1.930 5.963 1.00 1.00 H new ATOM 186 N GLU A 13 -7.288 -1.352 6.672 1.00 1.00 N ATOM 187 CA GLU A 13 -8.231 -1.766 7.704 1.00 1.00 C ATOM 188 C GLU A 13 -8.909 -3.075 7.311 1.00 1.00 C ATOM 189 O GLU A 13 -9.119 -3.940 8.156 1.00 1.00 O ATOM 190 CB GLU A 13 -9.278 -0.678 7.956 1.00 1.00 C ATOM 191 CG GLU A 13 -8.681 0.661 8.407 1.00 1.00 C ATOM 192 CD GLU A 13 -9.074 1.043 9.823 1.00 1.00 C ATOM 193 OE1 GLU A 13 -8.351 0.646 10.766 1.00 1.00 O ATOM 194 OE2 GLU A 13 -10.118 1.714 10.004 1.00 1.00 O ATOM 0 H GLU A 13 -7.500 -0.429 6.293 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.675 -1.924 8.628 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.852 -0.520 7.043 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.977 -1.028 8.716 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.594 0.608 8.340 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -9.005 1.445 7.723 1.00 1.00 H new ATOM 201 N ASN A 14 -9.324 -3.207 6.051 1.00 1.00 N ATOM 202 CA ASN A 14 -9.900 -4.432 5.531 1.00 1.00 C ATOM 203 C ASN A 14 -8.889 -5.581 5.453 1.00 1.00 C ATOM 204 O ASN A 14 -9.325 -6.729 5.324 1.00 1.00 O ATOM 205 CB ASN A 14 -10.508 -4.176 4.142 1.00 1.00 C ATOM 206 CG ASN A 14 -11.895 -3.551 4.172 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.725 -3.870 5.020 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.220 -2.720 3.199 1.00 1.00 N ATOM 0 H ASN A 14 -9.266 -2.456 5.363 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.677 -4.739 6.231 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -9.840 -3.523 3.580 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.559 -5.121 3.601 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.165 -2.339 3.148 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.526 -2.459 2.498 1.00 1.00 H new ATOM 215 N LEU A 15 -7.571 -5.356 5.511 1.00 1.00 N ATOM 216 CA LEU A 15 -6.581 -6.424 5.493 1.00 1.00 C ATOM 217 C LEU A 15 -6.414 -6.965 6.917 1.00 1.00 C ATOM 218 O LEU A 15 -6.604 -6.247 7.895 1.00 1.00 O ATOM 219 CB LEU A 15 -5.232 -5.877 4.998 1.00 1.00 C ATOM 220 CG LEU A 15 -5.160 -5.378 3.544 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.742 -4.903 3.212 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.566 -6.442 2.525 1.00 1.00 C ATOM 0 H LEU A 15 -7.166 -4.422 5.572 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.912 -7.218 4.824 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.942 -5.054 5.651 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.485 -6.661 5.122 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.871 -4.555 3.473 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.708 -4.553 2.180 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.465 -4.088 3.881 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.043 -5.729 3.338 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.494 -6.029 1.519 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -4.902 -7.302 2.612 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.592 -6.756 2.716 1.00 1.00 H new ATOM 234 N THR A 16 -6.026 -8.231 7.048 1.00 1.00 N ATOM 235 CA THR A 16 -5.778 -8.862 8.341 1.00 1.00 C ATOM 236 C THR A 16 -4.294 -8.748 8.684 1.00 1.00 C ATOM 237 O THR A 16 -3.502 -8.319 7.848 1.00 1.00 O ATOM 238 CB THR A 16 -6.222 -10.337 8.272 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.522 -10.975 7.224 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.719 -10.524 8.017 1.00 1.00 C ATOM 0 H THR A 16 -5.874 -8.852 6.254 1.00 1.00 H new ATOM 0 HA THR A 16 -6.348 -8.363 9.124 1.00 1.00 H new ATOM 0 HB THR A 16 -6.002 -10.769 9.248 1.00 1.00 H new ATOM 0 HG1 THR A 16 -5.796 -11.915 7.172 1.00 1.00 H new ATOM 0 HG21 THR A 16 -7.952 -11.588 7.982 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.286 -10.054 8.821 1.00 1.00 H new ATOM 0 HG23 THR A 16 -7.987 -10.063 7.066 1.00 1.00 H new ATOM 248 N ALA A 17 -3.884 -9.159 9.887 1.00 1.00 N ATOM 249 CA ALA A 17 -2.494 -9.075 10.308 1.00 1.00 C ATOM 250 C ALA A 17 -1.565 -9.776 9.323 1.00 1.00 C ATOM 251 O ALA A 17 -0.519 -9.218 8.983 1.00 1.00 O ATOM 252 CB ALA A 17 -2.309 -9.677 11.701 1.00 1.00 C ATOM 0 H ALA A 17 -4.508 -9.557 10.589 1.00 1.00 H new ATOM 0 HA ALA A 17 -2.233 -8.017 10.336 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.262 -9.602 11.993 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.925 -9.133 12.417 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.608 -10.725 11.687 1.00 1.00 H new ATOM 258 N GLU A 18 -1.919 -10.982 8.867 1.00 1.00 N ATOM 259 CA GLU A 18 -1.016 -11.737 8.010 1.00 1.00 C ATOM 260 C GLU A 18 -1.033 -11.156 6.586 1.00 1.00 C ATOM 261 O GLU A 18 -0.031 -11.209 5.873 1.00 1.00 O ATOM 262 CB GLU A 18 -1.380 -13.228 8.041 1.00 1.00 C ATOM 263 CG GLU A 18 -0.176 -14.087 7.620 1.00 1.00 C ATOM 264 CD GLU A 18 0.914 -13.994 8.701 1.00 1.00 C ATOM 265 OE1 GLU A 18 0.676 -14.471 9.834 1.00 1.00 O ATOM 266 OE2 GLU A 18 1.965 -13.343 8.493 1.00 1.00 O ATOM 0 H GLU A 18 -2.805 -11.443 9.074 1.00 1.00 H new ATOM 0 HA GLU A 18 0.005 -11.649 8.383 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.701 -13.509 9.044 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -2.220 -13.417 7.373 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -0.483 -15.124 7.485 1.00 1.00 H new ATOM 0 HG3 GLU A 18 0.214 -13.743 6.662 1.00 1.00 H new ATOM 273 N GLU A 19 -2.152 -10.565 6.159 1.00 1.00 N ATOM 274 CA GLU A 19 -2.227 -9.885 4.869 1.00 1.00 C ATOM 275 C GLU A 19 -1.368 -8.629 4.944 1.00 1.00 C ATOM 276 O GLU A 19 -0.579 -8.367 4.045 1.00 1.00 O ATOM 277 CB GLU A 19 -3.667 -9.494 4.533 1.00 1.00 C ATOM 278 CG GLU A 19 -4.564 -10.697 4.259 1.00 1.00 C ATOM 279 CD GLU A 19 -4.321 -11.289 2.877 1.00 1.00 C ATOM 280 OE1 GLU A 19 -4.930 -10.806 1.895 1.00 1.00 O ATOM 281 OE2 GLU A 19 -3.557 -12.276 2.775 1.00 1.00 O ATOM 0 H GLU A 19 -3.021 -10.545 6.693 1.00 1.00 H new ATOM 0 HA GLU A 19 -1.870 -10.557 4.089 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.083 -8.918 5.360 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.666 -8.842 3.659 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.387 -11.461 5.016 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.608 -10.397 4.346 1.00 1.00 H new ATOM 288 N LEU A 20 -1.477 -7.863 6.030 1.00 1.00 N ATOM 289 CA LEU A 20 -0.653 -6.696 6.283 1.00 1.00 C ATOM 290 C LEU A 20 0.816 -7.105 6.366 1.00 1.00 C ATOM 291 O LEU A 20 1.659 -6.369 5.872 1.00 1.00 O ATOM 292 CB LEU A 20 -1.120 -5.951 7.552 1.00 1.00 C ATOM 293 CG LEU A 20 -2.442 -5.167 7.398 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.861 -4.540 8.727 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.287 -4.011 6.398 1.00 1.00 C ATOM 0 H LEU A 20 -2.156 -8.046 6.769 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.761 -5.998 5.453 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.236 -6.675 8.358 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.337 -5.257 7.857 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.187 -5.882 7.050 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.794 -3.993 8.593 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -3.003 -5.324 9.471 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -2.085 -3.855 9.067 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -3.233 -3.477 6.310 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.515 -3.326 6.750 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -2.002 -4.408 5.424 1.00 1.00 H new ATOM 307 N LYS A 21 1.151 -8.285 6.898 1.00 1.00 N ATOM 308 CA LYS A 21 2.520 -8.787 6.929 1.00 1.00 C ATOM 309 C LYS A 21 3.021 -8.938 5.499 1.00 1.00 C ATOM 310 O LYS A 21 4.033 -8.344 5.120 1.00 1.00 O ATOM 311 CB LYS A 21 2.545 -10.139 7.651 1.00 1.00 C ATOM 312 CG LYS A 21 3.974 -10.613 7.980 1.00 1.00 C ATOM 313 CD LYS A 21 4.468 -10.118 9.349 1.00 1.00 C ATOM 314 CE LYS A 21 4.207 -11.121 10.483 1.00 1.00 C ATOM 315 NZ LYS A 21 2.775 -11.419 10.683 1.00 1.00 N ATOM 0 H LYS A 21 0.473 -8.919 7.320 1.00 1.00 H new ATOM 0 HA LYS A 21 3.168 -8.092 7.463 1.00 1.00 H new ATOM 0 HB2 LYS A 21 1.970 -10.064 8.574 1.00 1.00 H new ATOM 0 HB3 LYS A 21 2.053 -10.887 7.029 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.003 -11.702 7.961 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.655 -10.262 7.205 1.00 1.00 H new ATOM 0 HD2 LYS A 21 5.537 -9.915 9.291 1.00 1.00 H new ATOM 0 HD3 LYS A 21 3.977 -9.174 9.586 1.00 1.00 H new ATOM 0 HE2 LYS A 21 4.737 -12.049 10.267 1.00 1.00 H new ATOM 0 HE3 LYS A 21 4.621 -10.726 11.410 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 2.643 -11.888 11.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 2.230 -10.533 10.665 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 2.441 -12.046 9.923 1.00 1.00 H new ATOM 329 N LYS A 22 2.311 -9.739 4.698 1.00 1.00 N ATOM 330 CA LYS A 22 2.692 -9.984 3.320 1.00 1.00 C ATOM 331 C LYS A 22 2.694 -8.674 2.532 1.00 1.00 C ATOM 332 O LYS A 22 3.595 -8.505 1.722 1.00 1.00 O ATOM 333 CB LYS A 22 1.821 -11.098 2.708 1.00 1.00 C ATOM 334 CG LYS A 22 2.323 -12.484 3.142 1.00 1.00 C ATOM 335 CD LYS A 22 1.696 -13.645 2.358 1.00 1.00 C ATOM 336 CE LYS A 22 0.310 -14.032 2.884 1.00 1.00 C ATOM 337 NZ LYS A 22 -0.281 -15.109 2.063 1.00 1.00 N ATOM 0 H LYS A 22 1.465 -10.228 4.991 1.00 1.00 H new ATOM 0 HA LYS A 22 3.715 -10.359 3.274 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.785 -10.968 3.019 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.839 -11.024 1.621 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.406 -12.521 3.023 1.00 1.00 H new ATOM 0 HG3 LYS A 22 2.114 -12.620 4.203 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.617 -13.368 1.307 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.355 -14.512 2.410 1.00 1.00 H new ATOM 0 HE2 LYS A 22 0.388 -14.360 3.921 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.344 -13.160 2.874 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -1.220 -15.355 2.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -0.375 -14.784 1.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 0.335 -15.947 2.094 1.00 1.00 H new ATOM 351 N PHE A 23 1.803 -7.715 2.811 1.00 1.00 N ATOM 352 CA PHE A 23 1.796 -6.399 2.181 1.00 1.00 C ATOM 353 C PHE A 23 3.087 -5.672 2.510 1.00 1.00 C ATOM 354 O PHE A 23 3.807 -5.265 1.608 1.00 1.00 O ATOM 355 CB PHE A 23 0.591 -5.570 2.649 1.00 1.00 C ATOM 356 CG PHE A 23 0.424 -4.201 1.997 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.451 -4.062 0.594 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.185 -3.064 2.798 1.00 1.00 C ATOM 359 CE1 PHE A 23 0.187 -2.814 -0.002 1.00 1.00 C ATOM 360 CE2 PHE A 23 -0.089 -1.820 2.198 1.00 1.00 C ATOM 361 CZ PHE A 23 -0.090 -1.695 0.799 1.00 1.00 C ATOM 0 H PHE A 23 1.055 -7.839 3.494 1.00 1.00 H new ATOM 0 HA PHE A 23 1.716 -6.531 1.102 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.315 -6.149 2.468 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.669 -5.429 3.727 1.00 1.00 H new ATOM 0 HD1 PHE A 23 0.675 -4.917 -0.026 1.00 1.00 H new ATOM 0 HD2 PHE A 23 0.212 -3.148 3.874 1.00 1.00 H new ATOM 0 HE1 PHE A 23 0.198 -2.717 -1.078 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -0.299 -0.959 2.815 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.303 -0.741 0.341 1.00 1.00 H new ATOM 371 N LYS A 24 3.400 -5.522 3.795 1.00 1.00 N ATOM 372 CA LYS A 24 4.598 -4.864 4.290 1.00 1.00 C ATOM 373 C LYS A 24 5.871 -5.480 3.697 1.00 1.00 C ATOM 374 O LYS A 24 6.849 -4.765 3.503 1.00 1.00 O ATOM 375 CB LYS A 24 4.559 -4.892 5.819 1.00 1.00 C ATOM 376 CG LYS A 24 3.470 -3.987 6.447 1.00 1.00 C ATOM 377 CD LYS A 24 3.331 -4.344 7.931 1.00 1.00 C ATOM 378 CE LYS A 24 2.415 -3.432 8.745 1.00 1.00 C ATOM 379 NZ LYS A 24 2.681 -3.630 10.183 1.00 1.00 N ATOM 0 H LYS A 24 2.802 -5.870 4.544 1.00 1.00 H new ATOM 0 HA LYS A 24 4.621 -3.824 3.965 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.395 -5.918 6.148 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.533 -4.586 6.201 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.740 -2.937 6.335 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.519 -4.128 5.934 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.958 -5.365 8.007 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.322 -4.332 8.384 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.584 -2.390 8.472 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.371 -3.654 8.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.801 -3.907 10.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 3.392 -4.379 10.305 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 3.037 -2.744 10.595 1.00 1.00 H new ATOM 393 N LEU A 25 5.887 -6.776 3.390 1.00 1.00 N ATOM 394 CA LEU A 25 7.013 -7.416 2.717 1.00 1.00 C ATOM 395 C LEU A 25 6.962 -7.124 1.218 1.00 1.00 C ATOM 396 O LEU A 25 7.965 -6.686 0.660 1.00 1.00 O ATOM 397 CB LEU A 25 6.993 -8.926 3.001 1.00 1.00 C ATOM 398 CG LEU A 25 7.573 -9.249 4.392 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.919 -10.490 5.004 1.00 1.00 C ATOM 400 CD2 LEU A 25 9.088 -9.461 4.298 1.00 1.00 C ATOM 0 H LEU A 25 5.118 -7.412 3.602 1.00 1.00 H new ATOM 0 HA LEU A 25 7.950 -7.012 3.101 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.969 -9.295 2.938 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.568 -9.448 2.236 1.00 1.00 H new ATOM 0 HG LEU A 25 7.361 -8.399 5.040 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.355 -10.685 5.984 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.847 -10.322 5.110 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.089 -11.349 4.354 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.486 -9.688 5.287 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.298 -10.291 3.623 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.559 -8.555 3.917 1.00 1.00 H new ATOM 412 N LYS A 26 5.821 -7.329 0.550 1.00 1.00 N ATOM 413 CA LYS A 26 5.646 -7.094 -0.887 1.00 1.00 C ATOM 414 C LYS A 26 5.963 -5.656 -1.266 1.00 1.00 C ATOM 415 O LYS A 26 6.599 -5.434 -2.297 1.00 1.00 O ATOM 416 CB LYS A 26 4.235 -7.504 -1.348 1.00 1.00 C ATOM 417 CG LYS A 26 4.134 -9.028 -1.520 1.00 1.00 C ATOM 418 CD LYS A 26 4.897 -9.520 -2.761 1.00 1.00 C ATOM 419 CE LYS A 26 5.779 -10.732 -2.439 1.00 1.00 C ATOM 420 NZ LYS A 26 6.584 -11.127 -3.610 1.00 1.00 N ATOM 0 H LYS A 26 4.974 -7.671 1.005 1.00 1.00 H new ATOM 0 HA LYS A 26 6.362 -7.726 -1.412 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.498 -7.167 -0.619 1.00 1.00 H new ATOM 0 HB3 LYS A 26 3.999 -7.011 -2.291 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.531 -9.520 -0.632 1.00 1.00 H new ATOM 0 HG3 LYS A 26 3.086 -9.315 -1.602 1.00 1.00 H new ATOM 0 HD2 LYS A 26 4.187 -9.784 -3.544 1.00 1.00 H new ATOM 0 HD3 LYS A 26 5.516 -8.712 -3.152 1.00 1.00 H new ATOM 0 HE2 LYS A 26 6.438 -10.495 -1.604 1.00 1.00 H new ATOM 0 HE3 LYS A 26 5.154 -11.568 -2.125 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 7.172 -11.949 -3.366 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 5.952 -11.375 -4.398 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 7.196 -10.336 -3.893 1.00 1.00 H new ATOM 434 N LEU A 27 5.599 -4.701 -0.410 1.00 1.00 N ATOM 435 CA LEU A 27 5.901 -3.281 -0.527 1.00 1.00 C ATOM 436 C LEU A 27 7.396 -3.036 -0.699 1.00 1.00 C ATOM 437 O LEU A 27 7.765 -1.994 -1.243 1.00 1.00 O ATOM 438 CB LEU A 27 5.421 -2.537 0.736 1.00 1.00 C ATOM 439 CG LEU A 27 3.926 -2.179 0.792 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.468 -1.774 2.194 1.00 1.00 C ATOM 441 CD2 LEU A 27 3.670 -0.970 -0.099 1.00 1.00 C ATOM 0 H LEU A 27 5.056 -4.913 0.427 1.00 1.00 H new ATOM 0 HA LEU A 27 5.382 -2.908 -1.410 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.658 -3.151 1.605 1.00 1.00 H new ATOM 0 HB3 LEU A 27 5.997 -1.616 0.830 1.00 1.00 H new ATOM 0 HG LEU A 27 3.383 -3.069 0.474 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.405 -1.532 2.174 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.639 -2.599 2.885 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.032 -0.902 2.523 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.612 -0.710 -0.065 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.263 -0.126 0.254 1.00 1.00 H new ATOM 0 HD23 LEU A 27 3.952 -1.208 -1.125 1.00 1.00 H new ATOM 453 N LEU A 28 8.252 -3.959 -0.257 1.00 1.00 N ATOM 454 CA LEU A 28 9.703 -3.903 -0.351 1.00 1.00 C ATOM 455 C LEU A 28 10.228 -5.232 -0.917 1.00 1.00 C ATOM 456 O LEU A 28 11.288 -5.720 -0.523 1.00 1.00 O ATOM 457 CB LEU A 28 10.262 -3.572 1.044 1.00 1.00 C ATOM 458 CG LEU A 28 11.696 -2.974 1.082 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.600 -3.744 2.049 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.436 -2.739 -0.245 1.00 1.00 C ATOM 0 H LEU A 28 7.928 -4.811 0.201 1.00 1.00 H new ATOM 0 HA LEU A 28 10.035 -3.122 -1.035 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.584 -2.868 1.527 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.254 -4.483 1.642 1.00 1.00 H new ATOM 0 HG LEU A 28 11.491 -1.963 1.434 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.595 -3.298 2.050 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.181 -3.698 3.054 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.669 -4.785 1.732 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.421 -2.319 -0.043 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.547 -3.686 -0.772 1.00 1.00 H new ATOM 0 HD23 LEU A 28 11.865 -2.045 -0.862 1.00 1.00 H new ATOM 472 N SER A 29 9.467 -5.868 -1.807 1.00 1.00 N ATOM 473 CA SER A 29 9.860 -7.076 -2.513 1.00 1.00 C ATOM 474 C SER A 29 10.118 -6.635 -3.943 1.00 1.00 C ATOM 475 O SER A 29 11.276 -6.514 -4.351 1.00 1.00 O ATOM 476 CB SER A 29 8.768 -8.145 -2.375 1.00 1.00 C ATOM 477 OG SER A 29 9.230 -9.414 -2.777 1.00 1.00 O ATOM 0 H SER A 29 8.534 -5.543 -2.060 1.00 1.00 H new ATOM 0 HA SER A 29 10.757 -7.545 -2.109 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.432 -8.191 -1.339 1.00 1.00 H new ATOM 0 HB3 SER A 29 7.905 -7.864 -2.978 1.00 1.00 H new ATOM 0 HG SER A 29 8.656 -10.108 -2.391 1.00 1.00 H new ATOM 483 N VAL A 30 9.046 -6.323 -4.674 1.00 1.00 N ATOM 484 CA VAL A 30 9.134 -5.787 -6.016 1.00 1.00 C ATOM 485 C VAL A 30 9.803 -4.405 -5.933 1.00 1.00 C ATOM 486 O VAL A 30 9.440 -3.598 -5.065 1.00 1.00 O ATOM 487 CB VAL A 30 7.728 -5.806 -6.659 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.666 -4.977 -5.919 1.00 1.00 C ATOM 489 CG2 VAL A 30 7.782 -5.429 -8.141 1.00 1.00 C ATOM 0 H VAL A 30 8.089 -6.439 -4.340 1.00 1.00 H new ATOM 0 HA VAL A 30 9.759 -6.390 -6.676 1.00 1.00 H new ATOM 0 HB VAL A 30 7.399 -6.841 -6.567 1.00 1.00 H new ATOM 0 HG11 VAL A 30 5.714 -5.052 -6.445 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.551 -5.357 -4.904 1.00 1.00 H new ATOM 0 HG13 VAL A 30 6.979 -3.934 -5.883 1.00 1.00 H new ATOM 0 HG21 VAL A 30 6.776 -5.453 -8.559 1.00 1.00 H new ATOM 0 HG22 VAL A 30 8.195 -4.426 -8.246 1.00 1.00 H new ATOM 0 HG23 VAL A 30 8.414 -6.139 -8.674 1.00 1.00 H new ATOM 499 N PRO A 31 10.812 -4.114 -6.771 1.00 1.00 N ATOM 500 CA PRO A 31 11.397 -2.791 -6.805 1.00 1.00 C ATOM 501 C PRO A 31 10.399 -1.847 -7.471 1.00 1.00 C ATOM 502 O PRO A 31 9.602 -2.248 -8.327 1.00 1.00 O ATOM 503 CB PRO A 31 12.688 -2.926 -7.609 1.00 1.00 C ATOM 504 CG PRO A 31 12.375 -4.071 -8.564 1.00 1.00 C ATOM 505 CD PRO A 31 11.466 -4.982 -7.739 1.00 1.00 C ATOM 0 HA PRO A 31 11.620 -2.387 -5.818 1.00 1.00 H new ATOM 0 HB2 PRO A 31 12.929 -2.008 -8.144 1.00 1.00 H new ATOM 0 HB3 PRO A 31 13.540 -3.155 -6.969 1.00 1.00 H new ATOM 0 HG2 PRO A 31 11.877 -3.717 -9.466 1.00 1.00 H new ATOM 0 HG3 PRO A 31 13.280 -4.588 -8.882 1.00 1.00 H new ATOM 0 HD2 PRO A 31 10.734 -5.483 -8.373 1.00 1.00 H new ATOM 0 HD3 PRO A 31 12.042 -5.761 -7.240 1.00 1.00 H new ATOM 513 N LEU A 32 10.444 -0.581 -7.080 1.00 1.00 N ATOM 514 CA LEU A 32 9.642 0.476 -7.681 1.00 1.00 C ATOM 515 C LEU A 32 10.502 1.162 -8.739 1.00 1.00 C ATOM 516 O LEU A 32 11.714 0.927 -8.805 1.00 1.00 O ATOM 517 CB LEU A 32 9.233 1.442 -6.562 1.00 1.00 C ATOM 518 CG LEU A 32 8.068 2.397 -6.870 1.00 1.00 C ATOM 519 CD1 LEU A 32 6.727 1.653 -6.917 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.016 3.442 -5.760 1.00 1.00 C ATOM 0 H LEU A 32 11.047 -0.254 -6.325 1.00 1.00 H new ATOM 0 HA LEU A 32 8.738 0.099 -8.160 1.00 1.00 H new ATOM 0 HB2 LEU A 32 8.968 0.854 -5.684 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.103 2.041 -6.294 1.00 1.00 H new ATOM 0 HG LEU A 32 8.232 2.855 -7.846 1.00 1.00 H new ATOM 0 HD11 LEU A 32 5.927 2.359 -7.137 1.00 1.00 H new ATOM 0 HD12 LEU A 32 6.761 0.890 -7.695 1.00 1.00 H new ATOM 0 HD13 LEU A 32 6.539 1.180 -5.953 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.197 4.136 -5.951 1.00 1.00 H new ATOM 0 HD22 LEU A 32 7.856 2.947 -4.802 1.00 1.00 H new ATOM 0 HD23 LEU A 32 8.957 3.991 -5.732 1.00 1.00 H new ATOM 532 N ARG A 33 9.900 1.996 -9.580 1.00 1.00 N ATOM 533 CA ARG A 33 10.675 2.776 -10.536 1.00 1.00 C ATOM 534 C ARG A 33 11.378 3.888 -9.762 1.00 1.00 C ATOM 535 O ARG A 33 10.999 4.207 -8.633 1.00 1.00 O ATOM 536 CB ARG A 33 9.757 3.351 -11.618 1.00 1.00 C ATOM 537 CG ARG A 33 9.284 2.256 -12.585 1.00 1.00 C ATOM 538 CD ARG A 33 7.758 2.190 -12.681 1.00 1.00 C ATOM 539 NE ARG A 33 7.346 1.211 -13.694 1.00 1.00 N ATOM 540 CZ ARG A 33 7.295 1.443 -15.014 1.00 1.00 C ATOM 541 NH1 ARG A 33 7.613 2.635 -15.523 1.00 1.00 N ATOM 542 NH2 ARG A 33 6.930 0.473 -15.841 1.00 1.00 N ATOM 0 H ARG A 33 8.892 2.148 -9.619 1.00 1.00 H new ATOM 0 HA ARG A 33 11.413 2.150 -11.038 1.00 1.00 H new ATOM 0 HB2 ARG A 33 8.894 3.825 -11.152 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.286 4.126 -12.173 1.00 1.00 H new ATOM 0 HG2 ARG A 33 9.701 2.443 -13.575 1.00 1.00 H new ATOM 0 HG3 ARG A 33 9.668 1.291 -12.254 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.339 1.918 -11.712 1.00 1.00 H new ATOM 0 HD3 ARG A 33 7.361 3.173 -12.935 1.00 1.00 H new ATOM 0 HE ARG A 33 7.078 0.282 -13.369 1.00 1.00 H new ATOM 0 HH11 ARG A 33 7.902 3.393 -14.905 1.00 1.00 H new ATOM 0 HH12 ARG A 33 7.567 2.788 -16.530 1.00 1.00 H new ATOM 0 HH21 ARG A 33 6.689 -0.447 -15.473 1.00 1.00 H new ATOM 0 HH22 ARG A 33 6.890 0.647 -16.845 1.00 1.00 H new ATOM 556 N GLU A 34 12.365 4.506 -10.391 1.00 1.00 N ATOM 557 CA GLU A 34 13.140 5.558 -9.765 1.00 1.00 C ATOM 558 C GLU A 34 12.358 6.866 -9.923 1.00 1.00 C ATOM 559 O GLU A 34 11.390 6.946 -10.684 1.00 1.00 O ATOM 560 CB GLU A 34 14.535 5.613 -10.407 1.00 1.00 C ATOM 561 CG GLU A 34 15.551 6.317 -9.495 1.00 1.00 C ATOM 562 CD GLU A 34 16.231 7.499 -10.184 1.00 1.00 C ATOM 563 OE1 GLU A 34 17.283 7.295 -10.835 1.00 1.00 O ATOM 564 OE2 GLU A 34 15.712 8.635 -10.064 1.00 1.00 O ATOM 0 H GLU A 34 12.649 4.291 -11.347 1.00 1.00 H new ATOM 0 HA GLU A 34 13.293 5.376 -8.701 1.00 1.00 H new ATOM 0 HB2 GLU A 34 14.878 4.601 -10.621 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.477 6.138 -11.361 1.00 1.00 H new ATOM 0 HG2 GLU A 34 15.046 6.666 -8.595 1.00 1.00 H new ATOM 0 HG3 GLU A 34 16.308 5.600 -9.178 1.00 1.00 H new ATOM 571 N GLY A 35 12.755 7.891 -9.174 1.00 1.00 N ATOM 572 CA GLY A 35 12.050 9.166 -9.113 1.00 1.00 C ATOM 573 C GLY A 35 11.045 9.143 -7.957 1.00 1.00 C ATOM 574 O GLY A 35 10.525 10.192 -7.569 1.00 1.00 O ATOM 0 H GLY A 35 13.587 7.858 -8.585 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.761 9.980 -8.974 1.00 1.00 H new ATOM 0 HA3 GLY A 35 11.533 9.352 -10.054 1.00 1.00 H new ATOM 578 N TYR A 36 10.825 7.968 -7.368 1.00 1.00 N ATOM 579 CA TYR A 36 10.012 7.686 -6.205 1.00 1.00 C ATOM 580 C TYR A 36 10.898 6.922 -5.214 1.00 1.00 C ATOM 581 O TYR A 36 11.922 6.357 -5.605 1.00 1.00 O ATOM 582 CB TYR A 36 8.791 6.879 -6.652 1.00 1.00 C ATOM 583 CG TYR A 36 7.813 7.650 -7.514 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.020 8.658 -6.933 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.700 7.369 -8.888 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.089 9.364 -7.710 1.00 1.00 C ATOM 587 CE2 TYR A 36 6.779 8.082 -9.676 1.00 1.00 C ATOM 588 CZ TYR A 36 5.964 9.075 -9.087 1.00 1.00 C ATOM 589 OH TYR A 36 5.107 9.790 -9.869 1.00 1.00 O ATOM 0 H TYR A 36 11.254 7.118 -7.733 1.00 1.00 H new ATOM 0 HA TYR A 36 9.641 8.587 -5.717 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.132 6.003 -7.205 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.268 6.514 -5.768 1.00 1.00 H new ATOM 0 HD1 TYR A 36 7.129 8.889 -5.884 1.00 1.00 H new ATOM 0 HD2 TYR A 36 8.320 6.607 -9.337 1.00 1.00 H new ATOM 0 HE1 TYR A 36 5.471 10.125 -7.257 1.00 1.00 H new ATOM 0 HE2 TYR A 36 6.694 7.871 -10.732 1.00 1.00 H new ATOM 0 HH TYR A 36 4.229 9.355 -9.875 1.00 1.00 H new ATOM 599 N GLY A 37 10.509 6.894 -3.939 1.00 1.00 N ATOM 600 CA GLY A 37 11.302 6.311 -2.867 1.00 1.00 C ATOM 601 C GLY A 37 11.004 4.845 -2.565 1.00 1.00 C ATOM 602 O GLY A 37 10.163 4.197 -3.200 1.00 1.00 O ATOM 0 H GLY A 37 9.621 7.282 -3.622 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.357 6.406 -3.124 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.141 6.893 -1.959 1.00 1.00 H new ATOM 606 N ARG A 38 11.662 4.307 -1.536 1.00 1.00 N ATOM 607 CA ARG A 38 11.453 2.956 -1.018 1.00 1.00 C ATOM 608 C ARG A 38 11.453 3.008 0.504 1.00 1.00 C ATOM 609 O ARG A 38 12.223 3.768 1.091 1.00 1.00 O ATOM 610 CB ARG A 38 12.558 2.015 -1.537 1.00 1.00 C ATOM 611 CG ARG A 38 12.575 1.804 -3.064 1.00 1.00 C ATOM 612 CD ARG A 38 11.538 0.791 -3.564 1.00 1.00 C ATOM 613 NE ARG A 38 10.149 1.219 -3.348 1.00 1.00 N ATOM 614 CZ ARG A 38 9.120 0.387 -3.144 1.00 1.00 C ATOM 615 NH1 ARG A 38 9.250 -0.917 -3.386 1.00 1.00 N ATOM 616 NH2 ARG A 38 7.953 0.858 -2.712 1.00 1.00 N ATOM 0 H ARG A 38 12.380 4.819 -1.023 1.00 1.00 H new ATOM 0 HA ARG A 38 10.494 2.568 -1.362 1.00 1.00 H new ATOM 0 HB2 ARG A 38 13.525 2.412 -1.230 1.00 1.00 H new ATOM 0 HB3 ARG A 38 12.444 1.045 -1.053 1.00 1.00 H new ATOM 0 HG2 ARG A 38 12.399 2.761 -3.555 1.00 1.00 H new ATOM 0 HG3 ARG A 38 13.568 1.470 -3.364 1.00 1.00 H new ATOM 0 HD2 ARG A 38 11.695 0.618 -4.629 1.00 1.00 H new ATOM 0 HD3 ARG A 38 11.699 -0.161 -3.059 1.00 1.00 H new ATOM 0 HE ARG A 38 9.955 2.220 -3.354 1.00 1.00 H new ATOM 0 HH11 ARG A 38 10.137 -1.286 -3.729 1.00 1.00 H new ATOM 0 HH12 ARG A 38 8.463 -1.546 -3.229 1.00 1.00 H new ATOM 0 HH21 ARG A 38 7.840 1.856 -2.535 1.00 1.00 H new ATOM 0 HH22 ARG A 38 7.171 0.221 -2.558 1.00 1.00 H new ATOM 630 N ILE A 39 10.595 2.203 1.123 1.00 1.00 N ATOM 631 CA ILE A 39 10.352 2.158 2.558 1.00 1.00 C ATOM 632 C ILE A 39 10.709 0.733 3.005 1.00 1.00 C ATOM 633 O ILE A 39 10.070 -0.212 2.527 1.00 1.00 O ATOM 634 CB ILE A 39 8.876 2.503 2.881 1.00 1.00 C ATOM 635 CG1 ILE A 39 8.386 3.826 2.240 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.728 2.570 4.412 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.856 3.929 2.186 1.00 1.00 C ATOM 0 H ILE A 39 10.023 1.532 0.611 1.00 1.00 H new ATOM 0 HA ILE A 39 10.956 2.894 3.089 1.00 1.00 H new ATOM 0 HB ILE A 39 8.250 1.721 2.450 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.783 4.668 2.807 1.00 1.00 H new ATOM 0 HG13 ILE A 39 8.787 3.905 1.230 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.696 2.812 4.668 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.993 1.606 4.846 1.00 1.00 H new ATOM 0 HG23 ILE A 39 9.390 3.340 4.808 1.00 1.00 H new ATOM 0 HD11 ILE A 39 6.571 4.876 1.727 1.00 1.00 H new ATOM 0 HD12 ILE A 39 6.456 3.105 1.595 1.00 1.00 H new ATOM 0 HD13 ILE A 39 6.452 3.880 3.197 1.00 1.00 H new ATOM 649 N PRO A 40 11.716 0.536 3.871 1.00 1.00 N ATOM 650 CA PRO A 40 12.168 -0.792 4.252 1.00 1.00 C ATOM 651 C PRO A 40 11.171 -1.498 5.179 1.00 1.00 C ATOM 652 O PRO A 40 10.365 -0.873 5.877 1.00 1.00 O ATOM 653 CB PRO A 40 13.538 -0.588 4.885 1.00 1.00 C ATOM 654 CG PRO A 40 13.394 0.788 5.516 1.00 1.00 C ATOM 655 CD PRO A 40 12.545 1.548 4.502 1.00 1.00 C ATOM 0 HA PRO A 40 12.238 -1.458 3.392 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.763 -1.355 5.626 1.00 1.00 H new ATOM 0 HB3 PRO A 40 14.338 -0.616 4.145 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.908 0.736 6.490 1.00 1.00 H new ATOM 0 HG3 PRO A 40 14.362 1.265 5.669 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.936 2.309 4.989 1.00 1.00 H new ATOM 0 HD3 PRO A 40 13.169 2.060 3.769 1.00 1.00 H new ATOM 663 N ARG A 41 11.278 -2.827 5.241 1.00 1.00 N ATOM 664 CA ARG A 41 10.349 -3.678 5.975 1.00 1.00 C ATOM 665 C ARG A 41 10.357 -3.419 7.481 1.00 1.00 C ATOM 666 O ARG A 41 9.332 -3.634 8.118 1.00 1.00 O ATOM 667 CB ARG A 41 10.635 -5.151 5.638 1.00 1.00 C ATOM 668 CG ARG A 41 9.450 -6.093 5.923 1.00 1.00 C ATOM 669 CD ARG A 41 9.759 -7.164 6.979 1.00 1.00 C ATOM 670 NE ARG A 41 9.987 -6.590 8.315 1.00 1.00 N ATOM 671 CZ ARG A 41 10.748 -7.120 9.283 1.00 1.00 C ATOM 672 NH1 ARG A 41 11.416 -8.254 9.085 1.00 1.00 N ATOM 673 NH2 ARG A 41 10.842 -6.483 10.448 1.00 1.00 N ATOM 0 H ARG A 41 12.023 -3.346 4.776 1.00 1.00 H new ATOM 0 HA ARG A 41 9.338 -3.428 5.654 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.903 -5.228 4.584 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.499 -5.485 6.212 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.598 -5.501 6.256 1.00 1.00 H new ATOM 0 HG3 ARG A 41 9.155 -6.583 4.995 1.00 1.00 H new ATOM 0 HD2 ARG A 41 8.931 -7.871 7.028 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.641 -7.727 6.674 1.00 1.00 H new ATOM 0 HE ARG A 41 9.523 -5.706 8.524 1.00 1.00 H new ATOM 0 HH11 ARG A 41 11.353 -8.733 8.187 1.00 1.00 H new ATOM 0 HH12 ARG A 41 11.991 -8.644 9.832 1.00 1.00 H new ATOM 0 HH21 ARG A 41 10.340 -5.607 10.592 1.00 1.00 H new ATOM 0 HH22 ARG A 41 11.416 -6.871 11.196 1.00 1.00 H new ATOM 687 N GLY A 42 11.455 -2.956 8.078 1.00 1.00 N ATOM 688 CA GLY A 42 11.459 -2.614 9.498 1.00 1.00 C ATOM 689 C GLY A 42 10.511 -1.454 9.791 1.00 1.00 C ATOM 690 O GLY A 42 9.699 -1.533 10.718 1.00 1.00 O ATOM 0 H GLY A 42 12.346 -2.810 7.604 1.00 1.00 H new ATOM 0 HA2 GLY A 42 11.165 -3.484 10.085 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.470 -2.348 9.807 1.00 1.00 H new ATOM 694 N ALA A 43 10.588 -0.395 8.979 1.00 1.00 N ATOM 695 CA ALA A 43 9.694 0.748 9.078 1.00 1.00 C ATOM 696 C ALA A 43 8.255 0.289 8.832 1.00 1.00 C ATOM 697 O ALA A 43 7.366 0.583 9.632 1.00 1.00 O ATOM 698 CB ALA A 43 10.118 1.842 8.089 1.00 1.00 C ATOM 0 H ALA A 43 11.278 -0.313 8.233 1.00 1.00 H new ATOM 0 HA ALA A 43 9.751 1.175 10.079 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.440 2.692 8.174 1.00 1.00 H new ATOM 0 HB2 ALA A 43 11.134 2.164 8.317 1.00 1.00 H new ATOM 0 HB3 ALA A 43 10.081 1.448 7.073 1.00 1.00 H new ATOM 704 N LEU A 44 8.027 -0.475 7.758 1.00 1.00 N ATOM 705 CA LEU A 44 6.690 -0.944 7.413 1.00 1.00 C ATOM 706 C LEU A 44 6.054 -1.750 8.546 1.00 1.00 C ATOM 707 O LEU A 44 4.873 -1.552 8.808 1.00 1.00 O ATOM 708 CB LEU A 44 6.695 -1.705 6.082 1.00 1.00 C ATOM 709 CG LEU A 44 6.981 -0.820 4.854 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.940 -1.679 3.599 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.951 0.302 4.680 1.00 1.00 C ATOM 0 H LEU A 44 8.757 -0.780 7.114 1.00 1.00 H new ATOM 0 HA LEU A 44 6.059 -0.066 7.276 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.445 -2.495 6.130 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.728 -2.191 5.950 1.00 1.00 H new ATOM 0 HG LEU A 44 7.961 -0.369 5.010 1.00 1.00 H new ATOM 0 HD11 LEU A 44 7.142 -1.058 2.726 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.695 -2.462 3.669 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.954 -2.133 3.501 1.00 1.00 H new ATOM 0 HD21 LEU A 44 6.202 0.893 3.800 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.959 -0.131 4.555 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.959 0.943 5.562 1.00 1.00 H new ATOM 723 N LEU A 45 6.803 -2.635 9.213 1.00 1.00 N ATOM 724 CA LEU A 45 6.302 -3.357 10.387 1.00 1.00 C ATOM 725 C LEU A 45 6.051 -2.439 11.577 1.00 1.00 C ATOM 726 O LEU A 45 5.078 -2.672 12.291 1.00 1.00 O ATOM 727 CB LEU A 45 7.165 -4.560 10.801 1.00 1.00 C ATOM 728 CG LEU A 45 6.955 -5.889 10.048 1.00 1.00 C ATOM 729 CD1 LEU A 45 5.691 -6.585 10.565 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.842 -5.865 8.524 1.00 1.00 C ATOM 0 H LEU A 45 7.763 -2.869 8.958 1.00 1.00 H new ATOM 0 HA LEU A 45 5.344 -3.762 10.063 1.00 1.00 H new ATOM 0 HB2 LEU A 45 8.211 -4.275 10.692 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.994 -4.745 11.861 1.00 1.00 H new ATOM 0 HG LEU A 45 7.890 -6.408 10.258 1.00 1.00 H new ATOM 0 HD11 LEU A 45 5.547 -7.523 10.029 1.00 1.00 H new ATOM 0 HD12 LEU A 45 5.797 -6.788 11.631 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.828 -5.939 10.403 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.697 -6.880 8.154 1.00 1.00 H new ATOM 0 HD22 LEU A 45 5.993 -5.248 8.232 1.00 1.00 H new ATOM 0 HD23 LEU A 45 7.756 -5.450 8.098 1.00 1.00 H new ATOM 742 N SER A 46 6.872 -1.406 11.807 1.00 1.00 N ATOM 743 CA SER A 46 6.588 -0.472 12.880 1.00 1.00 C ATOM 744 C SER A 46 5.249 0.238 12.662 1.00 1.00 C ATOM 745 O SER A 46 4.498 0.468 13.613 1.00 1.00 O ATOM 746 CB SER A 46 7.779 0.474 13.054 1.00 1.00 C ATOM 747 OG SER A 46 7.955 1.442 12.034 1.00 1.00 O ATOM 0 H SER A 46 7.717 -1.206 11.272 1.00 1.00 H new ATOM 0 HA SER A 46 6.466 -1.008 13.821 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.670 0.993 14.006 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.687 -0.125 13.120 1.00 1.00 H new ATOM 0 HG SER A 46 7.542 1.122 11.205 1.00 1.00 H new ATOM 753 N MET A 47 4.940 0.570 11.411 1.00 1.00 N ATOM 754 CA MET A 47 3.715 1.249 11.037 1.00 1.00 C ATOM 755 C MET A 47 2.501 0.313 11.083 1.00 1.00 C ATOM 756 O MET A 47 2.609 -0.915 11.110 1.00 1.00 O ATOM 757 CB MET A 47 3.904 1.859 9.640 1.00 1.00 C ATOM 758 CG MET A 47 4.933 2.996 9.689 1.00 1.00 C ATOM 759 SD MET A 47 4.848 4.198 8.342 1.00 1.00 S ATOM 760 CE MET A 47 5.288 3.177 6.921 1.00 1.00 C ATOM 0 H MET A 47 5.549 0.368 10.618 1.00 1.00 H new ATOM 0 HA MET A 47 3.510 2.040 11.758 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.235 1.090 8.942 1.00 1.00 H new ATOM 0 HB3 MET A 47 2.951 2.237 9.269 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.813 3.528 10.633 1.00 1.00 H new ATOM 0 HG3 MET A 47 5.931 2.557 9.696 1.00 1.00 H new ATOM 0 HE1 MET A 47 5.276 3.787 6.017 1.00 1.00 H new ATOM 0 HE2 MET A 47 6.285 2.762 7.066 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.568 2.365 6.820 1.00 1.00 H new ATOM 770 N ASP A 48 1.320 0.916 11.089 1.00 1.00 N ATOM 771 CA ASP A 48 -0.004 0.312 11.021 1.00 1.00 C ATOM 772 C ASP A 48 -0.692 0.907 9.800 1.00 1.00 C ATOM 773 O ASP A 48 -0.040 1.425 8.894 1.00 1.00 O ATOM 774 CB ASP A 48 -0.830 0.597 12.286 1.00 1.00 C ATOM 775 CG ASP A 48 -1.351 2.031 12.357 1.00 1.00 C ATOM 776 OD1 ASP A 48 -0.577 2.977 12.111 1.00 1.00 O ATOM 777 OD2 ASP A 48 -2.563 2.212 12.609 1.00 1.00 O ATOM 0 H ASP A 48 1.259 1.933 11.147 1.00 1.00 H new ATOM 0 HA ASP A 48 0.084 -0.772 10.947 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.674 -0.091 12.323 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.217 0.397 13.165 1.00 1.00 H new ATOM 782 N ALA A 49 -2.014 0.810 9.769 1.00 1.00 N ATOM 783 CA ALA A 49 -2.817 1.390 8.708 1.00 1.00 C ATOM 784 C ALA A 49 -2.731 2.919 8.686 1.00 1.00 C ATOM 785 O ALA A 49 -2.504 3.492 7.618 1.00 1.00 O ATOM 786 CB ALA A 49 -4.276 0.953 8.880 1.00 1.00 C ATOM 0 H ALA A 49 -2.559 0.325 10.482 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.424 1.030 7.757 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.882 1.387 8.085 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.338 -0.134 8.832 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.647 1.295 9.846 1.00 1.00 H new ATOM 792 N LEU A 50 -2.934 3.590 9.826 1.00 1.00 N ATOM 793 CA LEU A 50 -2.896 5.051 9.873 1.00 1.00 C ATOM 794 C LEU A 50 -1.513 5.528 9.473 1.00 1.00 C ATOM 795 O LEU A 50 -1.376 6.374 8.584 1.00 1.00 O ATOM 796 CB LEU A 50 -3.293 5.555 11.268 1.00 1.00 C ATOM 797 CG LEU A 50 -3.396 7.096 11.358 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.406 7.471 12.449 1.00 1.00 C ATOM 799 CD2 LEU A 50 -2.069 7.791 11.702 1.00 1.00 C ATOM 0 H LEU A 50 -3.125 3.144 10.723 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.618 5.461 9.167 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.252 5.117 11.545 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.561 5.204 11.995 1.00 1.00 H new ATOM 0 HG LEU A 50 -3.702 7.434 10.368 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -4.482 8.556 12.517 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -5.382 7.053 12.201 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.073 7.070 13.406 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.224 8.869 11.747 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.712 7.435 12.668 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.329 7.562 10.935 1.00 1.00 H new ATOM 811 N ASP A 51 -0.495 4.960 10.118 1.00 1.00 N ATOM 812 CA ASP A 51 0.875 5.370 9.916 1.00 1.00 C ATOM 813 C ASP A 51 1.251 5.107 8.470 1.00 1.00 C ATOM 814 O ASP A 51 1.797 6.021 7.848 1.00 1.00 O ATOM 815 CB ASP A 51 1.869 4.646 10.839 1.00 1.00 C ATOM 816 CG ASP A 51 2.002 5.176 12.265 1.00 1.00 C ATOM 817 OD1 ASP A 51 1.262 6.093 12.689 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.960 4.747 12.951 1.00 1.00 O ATOM 0 H ASP A 51 -0.607 4.204 10.793 1.00 1.00 H new ATOM 0 HA ASP A 51 0.937 6.431 10.159 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.579 3.597 10.893 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.853 4.681 10.371 1.00 1.00 H new ATOM 823 N LEU A 52 0.946 3.919 7.912 1.00 1.00 N ATOM 824 CA LEU A 52 1.256 3.652 6.516 1.00 1.00 C ATOM 825 C LEU A 52 0.578 4.688 5.655 1.00 1.00 C ATOM 826 O LEU A 52 1.278 5.241 4.824 1.00 1.00 O ATOM 827 CB LEU A 52 0.848 2.236 6.055 1.00 1.00 C ATOM 828 CG LEU A 52 0.932 2.038 4.509 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.756 0.827 4.074 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.461 1.912 3.881 1.00 1.00 C ATOM 0 H LEU A 52 0.494 3.149 8.405 1.00 1.00 H new ATOM 0 HA LEU A 52 2.340 3.706 6.411 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.491 1.504 6.543 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.171 2.034 6.385 1.00 1.00 H new ATOM 0 HG LEU A 52 1.439 2.935 4.154 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.763 0.763 2.986 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.778 0.933 4.438 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.316 -0.080 4.488 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.364 1.775 2.804 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.977 1.054 4.310 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.034 2.817 4.081 1.00 1.00 H new ATOM 842 N THR A 53 -0.719 4.940 5.825 1.00 1.00 N ATOM 843 CA THR A 53 -1.450 5.852 4.963 1.00 1.00 C ATOM 844 C THR A 53 -0.717 7.182 4.890 1.00 1.00 C ATOM 845 O THR A 53 -0.304 7.584 3.803 1.00 1.00 O ATOM 846 CB THR A 53 -2.896 6.003 5.459 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.532 4.746 5.434 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.714 6.967 4.597 1.00 1.00 C ATOM 0 H THR A 53 -1.285 4.518 6.561 1.00 1.00 H new ATOM 0 HA THR A 53 -1.501 5.450 3.951 1.00 1.00 H new ATOM 0 HB THR A 53 -2.846 6.406 6.470 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.336 4.264 6.264 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.728 7.037 4.991 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.250 7.953 4.613 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.748 6.599 3.572 1.00 1.00 H new ATOM 856 N ASP A 54 -0.514 7.841 6.026 1.00 1.00 N ATOM 857 CA ASP A 54 0.089 9.167 6.025 1.00 1.00 C ATOM 858 C ASP A 54 1.541 9.149 5.564 1.00 1.00 C ATOM 859 O ASP A 54 1.960 10.058 4.841 1.00 1.00 O ATOM 860 CB ASP A 54 -0.088 9.840 7.391 1.00 1.00 C ATOM 861 CG ASP A 54 -1.475 10.481 7.550 1.00 1.00 C ATOM 862 OD1 ASP A 54 -2.224 10.640 6.555 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.778 10.977 8.660 1.00 1.00 O ATOM 0 H ASP A 54 -0.756 7.482 6.950 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.441 9.771 5.288 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.061 9.102 8.179 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.679 10.603 7.520 1.00 1.00 H new ATOM 868 N LYS A 55 2.305 8.106 5.909 1.00 1.00 N ATOM 869 CA LYS A 55 3.694 7.989 5.476 1.00 1.00 C ATOM 870 C LYS A 55 3.711 7.854 3.963 1.00 1.00 C ATOM 871 O LYS A 55 4.322 8.669 3.289 1.00 1.00 O ATOM 872 CB LYS A 55 4.400 6.804 6.168 1.00 1.00 C ATOM 873 CG LYS A 55 5.938 6.928 6.181 1.00 1.00 C ATOM 874 CD LYS A 55 6.627 6.586 4.853 1.00 1.00 C ATOM 875 CE LYS A 55 8.148 6.750 4.939 1.00 1.00 C ATOM 876 NZ LYS A 55 8.784 5.661 5.703 1.00 1.00 N ATOM 0 H LYS A 55 1.980 7.332 6.488 1.00 1.00 H new ATOM 0 HA LYS A 55 4.249 8.882 5.764 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.041 6.726 7.194 1.00 1.00 H new ATOM 0 HB3 LYS A 55 4.122 5.880 5.662 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.203 7.948 6.458 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.334 6.274 6.958 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.388 5.560 4.574 1.00 1.00 H new ATOM 0 HD3 LYS A 55 6.236 7.230 4.065 1.00 1.00 H new ATOM 0 HE2 LYS A 55 8.566 6.778 3.933 1.00 1.00 H new ATOM 0 HE3 LYS A 55 8.383 7.706 5.408 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 9.681 5.396 5.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 8.970 5.981 6.675 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 8.150 4.837 5.725 1.00 1.00 H new ATOM 890 N LEU A 56 3.053 6.825 3.435 1.00 1.00 N ATOM 891 CA LEU A 56 2.996 6.422 2.035 1.00 1.00 C ATOM 892 C LEU A 56 2.537 7.628 1.215 1.00 1.00 C ATOM 893 O LEU A 56 3.208 8.029 0.269 1.00 1.00 O ATOM 894 CB LEU A 56 2.063 5.190 2.007 1.00 1.00 C ATOM 895 CG LEU A 56 1.825 4.300 0.781 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.940 4.986 -0.249 1.00 1.00 C ATOM 897 CD2 LEU A 56 3.058 3.717 0.095 1.00 1.00 C ATOM 0 H LEU A 56 2.501 6.202 4.025 1.00 1.00 H new ATOM 0 HA LEU A 56 3.946 6.127 1.589 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.418 4.526 2.795 1.00 1.00 H new ATOM 0 HB3 LEU A 56 1.080 5.550 2.312 1.00 1.00 H new ATOM 0 HG LEU A 56 1.319 3.438 1.215 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.795 4.324 -1.103 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.026 5.218 0.199 1.00 1.00 H new ATOM 0 HD13 LEU A 56 1.417 5.908 -0.582 1.00 1.00 H new ATOM 0 HD21 LEU A 56 2.748 3.109 -0.755 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.698 4.528 -0.253 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.609 3.098 0.802 1.00 1.00 H new ATOM 909 N VAL A 57 1.446 8.272 1.613 1.00 1.00 N ATOM 910 CA VAL A 57 0.911 9.428 0.918 1.00 1.00 C ATOM 911 C VAL A 57 1.892 10.611 0.911 1.00 1.00 C ATOM 912 O VAL A 57 2.066 11.246 -0.133 1.00 1.00 O ATOM 913 CB VAL A 57 -0.451 9.770 1.544 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.911 11.152 1.102 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.494 8.708 1.140 1.00 1.00 C ATOM 0 H VAL A 57 0.906 8.001 2.435 1.00 1.00 H new ATOM 0 HA VAL A 57 0.766 9.194 -0.137 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.346 9.773 2.629 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.877 11.376 1.555 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.180 11.897 1.417 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.006 11.174 0.016 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.457 8.956 1.586 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.592 8.688 0.055 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.171 7.729 1.493 1.00 1.00 H new ATOM 925 N SER A 58 2.507 10.959 2.042 1.00 1.00 N ATOM 926 CA SER A 58 3.377 12.130 2.095 1.00 1.00 C ATOM 927 C SER A 58 4.717 11.848 1.399 1.00 1.00 C ATOM 928 O SER A 58 5.271 12.720 0.729 1.00 1.00 O ATOM 929 CB SER A 58 3.545 12.540 3.560 1.00 1.00 C ATOM 930 OG SER A 58 4.066 13.856 3.648 1.00 1.00 O ATOM 0 H SER A 58 2.420 10.452 2.923 1.00 1.00 H new ATOM 0 HA SER A 58 2.929 12.963 1.552 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.584 12.488 4.072 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.213 11.843 4.065 1.00 1.00 H new ATOM 0 HG SER A 58 4.167 14.106 4.590 1.00 1.00 H new ATOM 936 N PHE A 59 5.239 10.631 1.544 1.00 1.00 N ATOM 937 CA PHE A 59 6.518 10.182 1.012 1.00 1.00 C ATOM 938 C PHE A 59 6.452 10.032 -0.509 1.00 1.00 C ATOM 939 O PHE A 59 7.453 10.294 -1.182 1.00 1.00 O ATOM 940 CB PHE A 59 6.863 8.868 1.719 1.00 1.00 C ATOM 941 CG PHE A 59 8.223 8.257 1.467 1.00 1.00 C ATOM 942 CD1 PHE A 59 9.310 8.584 2.299 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.362 7.251 0.497 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.527 7.891 2.172 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.572 6.550 0.381 1.00 1.00 C ATOM 946 CZ PHE A 59 10.656 6.863 1.222 1.00 1.00 C ATOM 0 H PHE A 59 4.755 9.898 2.062 1.00 1.00 H new ATOM 0 HA PHE A 59 7.304 10.913 1.201 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.765 9.032 2.792 1.00 1.00 H new ATOM 0 HB3 PHE A 59 6.110 8.131 1.439 1.00 1.00 H new ATOM 0 HD1 PHE A 59 9.209 9.368 3.035 1.00 1.00 H new ATOM 0 HD2 PHE A 59 7.537 7.017 -0.160 1.00 1.00 H new ATOM 0 HE1 PHE A 59 11.363 8.149 2.805 1.00 1.00 H new ATOM 0 HE2 PHE A 59 9.672 5.767 -0.356 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.583 6.316 1.138 1.00 1.00 H new ATOM 956 N TYR A 60 5.303 9.647 -1.073 1.00 1.00 N ATOM 957 CA TYR A 60 5.111 9.586 -2.516 1.00 1.00 C ATOM 958 C TYR A 60 4.280 10.817 -2.891 1.00 1.00 C ATOM 959 O TYR A 60 4.842 11.913 -2.950 1.00 1.00 O ATOM 960 CB TYR A 60 4.477 8.234 -2.896 1.00 1.00 C ATOM 961 CG TYR A 60 5.371 7.024 -2.657 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.402 6.718 -3.558 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.194 6.201 -1.531 1.00 1.00 C ATOM 964 CE1 TYR A 60 7.258 5.630 -3.318 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.025 5.090 -1.298 1.00 1.00 C ATOM 966 CZ TYR A 60 7.067 4.801 -2.197 1.00 1.00 C ATOM 967 OH TYR A 60 7.893 3.741 -1.986 1.00 1.00 O ATOM 0 H TYR A 60 4.481 9.369 -0.536 1.00 1.00 H new ATOM 0 HA TYR A 60 6.042 9.622 -3.081 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.556 8.107 -2.327 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.199 8.261 -3.950 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.539 7.323 -4.442 1.00 1.00 H new ATOM 0 HD2 TYR A 60 4.404 6.426 -0.830 1.00 1.00 H new ATOM 0 HE1 TYR A 60 8.070 5.428 -4.000 1.00 1.00 H new ATOM 0 HE2 TYR A 60 5.864 4.463 -0.434 1.00 1.00 H new ATOM 0 HH TYR A 60 8.560 3.698 -2.703 1.00 1.00 H new ATOM 977 N LEU A 61 2.963 10.665 -3.024 1.00 1.00 N ATOM 978 CA LEU A 61 1.894 11.638 -3.271 1.00 1.00 C ATOM 979 C LEU A 61 0.604 10.933 -2.837 1.00 1.00 C ATOM 980 O LEU A 61 0.618 9.723 -2.615 1.00 1.00 O ATOM 981 CB LEU A 61 1.722 12.013 -4.757 1.00 1.00 C ATOM 982 CG LEU A 61 2.640 13.052 -5.426 1.00 1.00 C ATOM 983 CD1 LEU A 61 2.958 14.248 -4.525 1.00 1.00 C ATOM 984 CD2 LEU A 61 3.882 12.438 -6.080 1.00 1.00 C ATOM 0 H LEU A 61 2.566 9.728 -2.951 1.00 1.00 H new ATOM 0 HA LEU A 61 2.128 12.558 -2.736 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.813 11.091 -5.331 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.698 12.366 -4.880 1.00 1.00 H new ATOM 0 HG LEU A 61 2.056 13.459 -6.251 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.609 14.942 -5.057 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.032 14.755 -4.253 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.460 13.900 -3.622 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.483 13.227 -6.532 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.472 11.919 -5.325 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.575 11.730 -6.850 1.00 1.00 H new ATOM 996 N GLU A 62 -0.531 11.631 -2.777 1.00 1.00 N ATOM 997 CA GLU A 62 -1.811 10.988 -2.484 1.00 1.00 C ATOM 998 C GLU A 62 -2.166 10.064 -3.653 1.00 1.00 C ATOM 999 O GLU A 62 -2.370 8.866 -3.471 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.939 12.004 -2.229 1.00 1.00 C ATOM 1001 CG GLU A 62 -2.599 13.168 -1.290 1.00 1.00 C ATOM 1002 CD GLU A 62 -2.086 14.380 -2.054 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -0.894 14.388 -2.443 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -2.890 15.312 -2.279 1.00 1.00 O ATOM 0 H GLU A 62 -0.589 12.638 -2.927 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.708 10.415 -1.563 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -3.252 12.417 -3.188 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -3.795 11.470 -1.817 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -3.486 13.446 -0.720 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -1.846 12.846 -0.571 1.00 1.00 H new ATOM 1011 N THR A 63 -2.181 10.617 -4.866 1.00 1.00 N ATOM 1012 CA THR A 63 -2.492 9.919 -6.101 1.00 1.00 C ATOM 1013 C THR A 63 -1.497 8.782 -6.354 1.00 1.00 C ATOM 1014 O THR A 63 -1.925 7.641 -6.548 1.00 1.00 O ATOM 1015 CB THR A 63 -2.500 10.961 -7.225 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.379 12.016 -6.877 1.00 1.00 O ATOM 1017 CG2 THR A 63 -2.897 10.402 -8.586 1.00 1.00 C ATOM 0 H THR A 63 -1.967 11.603 -5.015 1.00 1.00 H new ATOM 0 HA THR A 63 -3.471 9.442 -6.046 1.00 1.00 H new ATOM 0 HB THR A 63 -1.474 11.315 -7.326 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.386 12.686 -7.593 1.00 1.00 H new ATOM 0 HG21 THR A 63 -2.878 11.201 -9.327 1.00 1.00 H new ATOM 0 HG22 THR A 63 -2.195 9.621 -8.877 1.00 1.00 H new ATOM 0 HG23 THR A 63 -3.902 9.984 -8.529 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.183 9.059 -6.338 1.00 1.00 N ATOM 1026 CA TYR A 64 0.797 7.986 -6.502 1.00 1.00 C ATOM 1027 C TYR A 64 0.743 7.006 -5.320 1.00 1.00 C ATOM 1028 O TYR A 64 1.099 5.842 -5.463 1.00 1.00 O ATOM 1029 CB TYR A 64 2.223 8.505 -6.726 1.00 1.00 C ATOM 1030 CG TYR A 64 3.134 7.416 -7.280 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.174 7.161 -8.665 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.865 6.590 -6.405 1.00 1.00 C ATOM 1033 CE1 TYR A 64 3.950 6.104 -9.176 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.643 5.535 -6.902 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.694 5.293 -8.288 1.00 1.00 C ATOM 1036 OH TYR A 64 5.414 4.231 -8.738 1.00 1.00 O ATOM 0 H TYR A 64 0.212 9.991 -6.216 1.00 1.00 H new ATOM 0 HA TYR A 64 0.520 7.450 -7.410 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.200 9.348 -7.417 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.628 8.876 -5.785 1.00 1.00 H new ATOM 0 HD1 TYR A 64 2.604 7.782 -9.340 1.00 1.00 H new ATOM 0 HD2 TYR A 64 3.826 6.771 -5.341 1.00 1.00 H new ATOM 0 HE1 TYR A 64 3.977 5.914 -10.239 1.00 1.00 H new ATOM 0 HE2 TYR A 64 5.202 4.909 -6.223 1.00 1.00 H new ATOM 0 HH TYR A 64 6.325 4.278 -8.380 1.00 1.00 H new ATOM 1046 N GLY A 65 0.266 7.437 -4.154 1.00 1.00 N ATOM 1047 CA GLY A 65 0.079 6.574 -3.007 1.00 1.00 C ATOM 1048 C GLY A 65 -1.015 5.553 -3.289 1.00 1.00 C ATOM 1049 O GLY A 65 -0.813 4.362 -3.054 1.00 1.00 O ATOM 0 H GLY A 65 -0.002 8.407 -3.985 1.00 1.00 H new ATOM 0 HA2 GLY A 65 1.012 6.062 -2.772 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.186 7.170 -2.134 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.155 5.987 -3.834 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.233 5.084 -4.215 1.00 1.00 C ATOM 1055 C ALA A 66 -2.768 4.145 -5.330 1.00 1.00 C ATOM 1056 O ALA A 66 -3.056 2.951 -5.283 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.467 5.888 -4.636 1.00 1.00 C ATOM 0 H ALA A 66 -2.352 6.970 -4.021 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.508 4.470 -3.357 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.267 5.204 -4.919 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.798 6.509 -3.804 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.215 6.523 -5.485 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.000 4.675 -6.283 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.411 3.931 -7.392 1.00 1.00 C ATOM 1065 C GLU A 67 -0.503 2.819 -6.862 1.00 1.00 C ATOM 1066 O GLU A 67 -0.674 1.657 -7.238 1.00 1.00 O ATOM 1067 CB GLU A 67 -0.646 4.908 -8.304 1.00 1.00 C ATOM 1068 CG GLU A 67 0.179 4.283 -9.441 1.00 1.00 C ATOM 1069 CD GLU A 67 -0.642 3.663 -10.571 1.00 1.00 C ATOM 1070 OE1 GLU A 67 -1.822 3.304 -10.370 1.00 1.00 O ATOM 1071 OE2 GLU A 67 -0.068 3.490 -11.671 1.00 1.00 O ATOM 0 H GLU A 67 -1.764 5.667 -6.303 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.196 3.454 -7.979 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.366 5.598 -8.744 1.00 1.00 H new ATOM 0 HB3 GLU A 67 0.025 5.501 -7.682 1.00 1.00 H new ATOM 0 HG2 GLU A 67 0.828 5.051 -9.863 1.00 1.00 H new ATOM 0 HG3 GLU A 67 0.827 3.515 -9.019 1.00 1.00 H new ATOM 1078 N LEU A 68 0.456 3.165 -5.991 1.00 1.00 N ATOM 1079 CA LEU A 68 1.342 2.219 -5.324 1.00 1.00 C ATOM 1080 C LEU A 68 0.495 1.168 -4.633 1.00 1.00 C ATOM 1081 O LEU A 68 0.686 -0.019 -4.879 1.00 1.00 O ATOM 1082 CB LEU A 68 2.272 2.914 -4.302 1.00 1.00 C ATOM 1083 CG LEU A 68 3.196 1.910 -3.576 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.412 2.638 -2.993 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.486 1.179 -2.429 1.00 1.00 C ATOM 0 H LEU A 68 0.636 4.134 -5.729 1.00 1.00 H new ATOM 0 HA LEU A 68 1.985 1.758 -6.074 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.880 3.659 -4.815 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.668 3.446 -3.567 1.00 1.00 H new ATOM 0 HG LEU A 68 3.499 1.175 -4.322 1.00 1.00 H new ATOM 0 HD11 LEU A 68 5.056 1.921 -2.484 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.969 3.118 -3.798 1.00 1.00 H new ATOM 0 HD13 LEU A 68 4.077 3.394 -2.282 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.181 0.486 -1.954 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.138 1.905 -1.694 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.634 0.625 -2.823 1.00 1.00 H new ATOM 1097 N THR A 69 -0.406 1.605 -3.757 1.00 1.00 N ATOM 1098 CA THR A 69 -1.216 0.732 -2.931 1.00 1.00 C ATOM 1099 C THR A 69 -1.927 -0.282 -3.825 1.00 1.00 C ATOM 1100 O THR A 69 -1.676 -1.472 -3.666 1.00 1.00 O ATOM 1101 CB THR A 69 -2.125 1.577 -2.023 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.333 2.465 -1.264 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.924 0.745 -1.023 1.00 1.00 C ATOM 0 H THR A 69 -0.593 2.596 -3.603 1.00 1.00 H new ATOM 0 HA THR A 69 -0.611 0.139 -2.245 1.00 1.00 H new ATOM 0 HB THR A 69 -2.819 2.091 -2.688 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.254 3.319 -1.738 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.544 1.404 -0.415 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.561 0.042 -1.561 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.239 0.194 -0.379 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.719 0.147 -4.815 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.421 -0.773 -5.703 1.00 1.00 C ATOM 1113 C ALA A 70 -2.444 -1.695 -6.448 1.00 1.00 C ATOM 1114 O ALA A 70 -2.779 -2.855 -6.660 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.243 0.016 -6.736 1.00 1.00 C ATOM 0 H ALA A 70 -2.887 1.132 -5.018 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.078 -1.386 -5.085 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.764 -0.679 -7.395 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -4.971 0.642 -6.220 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.577 0.646 -7.326 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.254 -1.214 -6.833 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.266 -2.003 -7.572 1.00 1.00 C ATOM 1123 C ASN A 71 0.251 -3.153 -6.731 1.00 1.00 C ATOM 1124 O ASN A 71 0.195 -4.313 -7.119 1.00 1.00 O ATOM 1125 CB ASN A 71 0.950 -1.159 -7.981 1.00 1.00 C ATOM 1126 CG ASN A 71 1.877 -2.002 -8.848 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.649 -2.164 -10.044 1.00 1.00 O ATOM 1128 ND2 ASN A 71 2.897 -2.602 -8.256 1.00 1.00 N ATOM 0 H ASN A 71 -0.950 -0.260 -6.638 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.779 -2.372 -8.460 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.626 -0.274 -8.528 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.480 -0.809 -7.095 1.00 1.00 H new ATOM 0 HD21 ASN A 71 3.512 -3.213 -8.794 1.00 1.00 H new ATOM 0 HD22 ASN A 71 3.069 -2.454 -7.262 1.00 1.00 H new ATOM 1135 N VAL A 72 0.827 -2.798 -5.589 1.00 1.00 N ATOM 1136 CA VAL A 72 1.388 -3.753 -4.640 1.00 1.00 C ATOM 1137 C VAL A 72 0.273 -4.710 -4.169 1.00 1.00 C ATOM 1138 O VAL A 72 0.492 -5.914 -4.027 1.00 1.00 O ATOM 1139 CB VAL A 72 2.085 -3.000 -3.488 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.742 -3.994 -2.521 1.00 1.00 C ATOM 1141 CG2 VAL A 72 3.183 -2.014 -3.948 1.00 1.00 C ATOM 0 H VAL A 72 0.919 -1.827 -5.292 1.00 1.00 H new ATOM 0 HA VAL A 72 2.157 -4.366 -5.111 1.00 1.00 H new ATOM 0 HB VAL A 72 1.292 -2.425 -3.010 1.00 1.00 H new ATOM 0 HG11 VAL A 72 3.230 -3.448 -1.714 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.981 -4.654 -2.105 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.483 -4.587 -3.057 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.622 -1.527 -3.078 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.957 -2.558 -4.489 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.745 -1.261 -4.603 1.00 1.00 H new ATOM 1151 N LEU A 73 -0.946 -4.209 -3.962 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.099 -5.035 -3.625 1.00 1.00 C ATOM 1153 C LEU A 73 -2.374 -6.020 -4.767 1.00 1.00 C ATOM 1154 O LEU A 73 -2.590 -7.200 -4.519 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.295 -4.128 -3.319 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.254 -3.469 -1.921 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.448 -2.523 -1.814 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.265 -4.404 -0.708 1.00 1.00 C ATOM 0 H LEU A 73 -1.159 -3.213 -4.025 1.00 1.00 H new ATOM 0 HA LEU A 73 -1.904 -5.629 -2.732 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.345 -3.345 -4.075 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.211 -4.713 -3.405 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.285 -2.973 -1.871 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.445 -2.043 -0.836 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.380 -1.762 -2.592 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.372 -3.088 -1.938 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.233 -3.813 0.207 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.174 -5.005 -0.720 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.395 -5.060 -0.747 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.327 -5.574 -6.022 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.460 -6.464 -7.177 1.00 1.00 C ATOM 1172 C ARG A 74 -1.350 -7.521 -7.159 1.00 1.00 C ATOM 1173 O ARG A 74 -1.620 -8.677 -7.481 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.463 -5.666 -8.492 1.00 1.00 C ATOM 1175 CG ARG A 74 -3.097 -6.443 -9.660 1.00 1.00 C ATOM 1176 CD ARG A 74 -2.730 -5.939 -11.068 1.00 1.00 C ATOM 1177 NE ARG A 74 -2.365 -4.511 -11.123 1.00 1.00 N ATOM 1178 CZ ARG A 74 -1.122 -4.010 -11.121 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -0.058 -4.803 -10.991 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -0.931 -2.703 -11.229 1.00 1.00 N ATOM 0 H ARG A 74 -2.197 -4.592 -6.267 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.418 -6.979 -7.113 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.007 -4.733 -8.344 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.439 -5.400 -8.752 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -2.803 -7.489 -9.580 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -4.181 -6.407 -9.551 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -1.897 -6.530 -11.448 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -3.574 -6.113 -11.735 1.00 1.00 H new ATOM 0 HE ARG A 74 -3.132 -3.840 -11.167 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -0.182 -5.810 -10.891 1.00 1.00 H new ATOM 0 HH12 ARG A 74 0.880 -4.402 -10.992 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -1.731 -2.076 -11.314 1.00 1.00 H new ATOM 0 HH22 ARG A 74 0.016 -2.324 -11.227 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.124 -7.179 -6.746 1.00 1.00 N ATOM 1195 CA ASP A 75 0.985 -8.119 -6.606 1.00 1.00 C ATOM 1196 C ASP A 75 0.635 -9.183 -5.556 1.00 1.00 C ATOM 1197 O ASP A 75 0.951 -10.366 -5.719 1.00 1.00 O ATOM 1198 CB ASP A 75 2.263 -7.337 -6.289 1.00 1.00 C ATOM 1199 CG ASP A 75 3.547 -8.109 -6.599 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.652 -9.319 -6.289 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.440 -7.492 -7.229 1.00 1.00 O ATOM 0 H ASP A 75 0.126 -6.222 -6.496 1.00 1.00 H new ATOM 0 HA ASP A 75 1.164 -8.659 -7.536 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.261 -6.408 -6.859 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.259 -7.064 -5.234 1.00 1.00 H new ATOM 1206 N MET A 76 -0.104 -8.806 -4.503 1.00 1.00 N ATOM 1207 CA MET A 76 -0.605 -9.748 -3.492 1.00 1.00 C ATOM 1208 C MET A 76 -1.619 -10.750 -4.084 1.00 1.00 C ATOM 1209 O MET A 76 -2.021 -11.674 -3.379 1.00 1.00 O ATOM 1210 CB MET A 76 -1.247 -9.033 -2.285 1.00 1.00 C ATOM 1211 CG MET A 76 -0.317 -8.081 -1.526 1.00 1.00 C ATOM 1212 SD MET A 76 0.648 -8.877 -0.218 1.00 1.00 S ATOM 1213 CE MET A 76 -0.628 -9.068 1.059 1.00 1.00 C ATOM 0 H MET A 76 -0.372 -7.837 -4.328 1.00 1.00 H new ATOM 0 HA MET A 76 0.273 -10.294 -3.146 1.00 1.00 H new ATOM 0 HB2 MET A 76 -2.113 -8.470 -2.634 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.616 -9.787 -1.590 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.367 -7.616 -2.236 1.00 1.00 H new ATOM 0 HG3 MET A 76 -0.913 -7.281 -1.087 1.00 1.00 H new ATOM 0 HE1 MET A 76 -0.163 -9.379 1.994 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.140 -8.117 1.207 1.00 1.00 H new ATOM 0 HE3 MET A 76 -1.348 -9.823 0.744 1.00 1.00 H new ATOM 1223 N GLY A 77 -2.058 -10.600 -5.338 1.00 1.00 N ATOM 1224 CA GLY A 77 -3.023 -11.471 -6.022 1.00 1.00 C ATOM 1225 C GLY A 77 -4.459 -10.947 -5.961 1.00 1.00 C ATOM 1226 O GLY A 77 -5.317 -11.340 -6.755 1.00 1.00 O ATOM 0 H GLY A 77 -1.737 -9.835 -5.931 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -2.727 -11.580 -7.065 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -2.987 -12.464 -5.574 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.686 -9.968 -5.097 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.911 -9.296 -4.711 1.00 1.00 C ATOM 1232 C LEU A 78 -6.314 -8.390 -5.866 1.00 1.00 C ATOM 1233 O LEU A 78 -5.473 -7.683 -6.421 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.569 -8.562 -3.400 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.408 -7.377 -2.904 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -5.717 -6.880 -1.631 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -6.440 -6.199 -3.881 1.00 1.00 C ATOM 0 H LEU A 78 -3.900 -9.575 -4.580 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.767 -9.945 -4.525 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.576 -9.310 -2.607 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.543 -8.207 -3.494 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.435 -7.715 -2.767 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.268 -6.032 -1.225 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.692 -7.682 -0.894 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -4.698 -6.572 -1.867 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.051 -5.398 -3.465 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -5.426 -5.834 -4.045 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -6.866 -6.525 -4.830 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.546 -8.507 -6.350 1.00 1.00 N ATOM 1250 CA GLN A 79 -8.042 -7.697 -7.470 1.00 1.00 C ATOM 1251 C GLN A 79 -9.256 -6.843 -7.101 1.00 1.00 C ATOM 1252 O GLN A 79 -9.444 -5.776 -7.696 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.274 -8.556 -8.727 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.876 -9.958 -8.522 1.00 1.00 C ATOM 1255 CD GLN A 79 -10.287 -9.948 -7.946 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -10.519 -10.451 -6.855 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -11.263 -9.410 -8.652 1.00 1.00 N ATOM 0 H GLN A 79 -8.233 -9.164 -5.981 1.00 1.00 H new ATOM 0 HA GLN A 79 -7.256 -6.983 -7.713 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.930 -8.002 -9.398 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.318 -8.671 -9.239 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.889 -10.480 -9.479 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -8.227 -10.527 -7.857 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -11.064 -8.992 -9.561 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -12.216 -9.412 -8.289 1.00 1.00 H new ATOM 1266 N GLU A 80 -10.038 -7.264 -6.110 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.235 -6.576 -5.667 1.00 1.00 C ATOM 1268 C GLU A 80 -10.843 -5.260 -4.989 1.00 1.00 C ATOM 1269 O GLU A 80 -11.060 -4.200 -5.566 1.00 1.00 O ATOM 1270 CB GLU A 80 -12.144 -7.513 -4.840 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.613 -8.152 -3.543 1.00 1.00 C ATOM 1272 CD GLU A 80 -10.661 -9.337 -3.745 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -9.498 -9.142 -4.171 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -11.064 -10.478 -3.413 1.00 1.00 O ATOM 0 H GLU A 80 -9.847 -8.116 -5.583 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.858 -6.296 -6.516 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -13.040 -6.950 -4.581 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.457 -8.325 -5.497 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -11.097 -7.386 -2.964 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -12.462 -8.485 -2.946 1.00 1.00 H new ATOM 1281 N MET A 81 -10.159 -5.301 -3.843 1.00 1.00 N ATOM 1282 CA MET A 81 -9.691 -4.121 -3.118 1.00 1.00 C ATOM 1283 C MET A 81 -8.872 -3.209 -4.026 1.00 1.00 C ATOM 1284 O MET A 81 -9.107 -2.017 -3.990 1.00 1.00 O ATOM 1285 CB MET A 81 -8.973 -4.578 -1.843 1.00 1.00 C ATOM 1286 CG MET A 81 -8.195 -3.471 -1.133 1.00 1.00 C ATOM 1287 SD MET A 81 -7.224 -4.001 0.301 1.00 1.00 S ATOM 1288 CE MET A 81 -8.496 -4.772 1.329 1.00 1.00 C ATOM 0 H MET A 81 -9.910 -6.177 -3.384 1.00 1.00 H new ATOM 0 HA MET A 81 -10.529 -3.500 -2.801 1.00 1.00 H new ATOM 0 HB2 MET A 81 -9.709 -4.990 -1.153 1.00 1.00 H new ATOM 0 HB3 MET A 81 -8.286 -5.385 -2.096 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.523 -3.003 -1.853 1.00 1.00 H new ATOM 0 HG3 MET A 81 -8.900 -2.705 -0.810 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.109 -4.920 2.337 1.00 1.00 H new ATOM 0 HE2 MET A 81 -9.373 -4.126 1.369 1.00 1.00 H new ATOM 0 HE3 MET A 81 -8.774 -5.735 0.902 1.00 1.00 H new ATOM 1298 N ALA A 82 -7.977 -3.720 -4.872 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.221 -2.906 -5.822 1.00 1.00 C ATOM 1300 C ALA A 82 -8.166 -2.135 -6.752 1.00 1.00 C ATOM 1301 O ALA A 82 -8.006 -0.928 -6.932 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.251 -3.787 -6.620 1.00 1.00 C ATOM 0 H ALA A 82 -7.756 -4.715 -4.917 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.636 -2.173 -5.266 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.694 -3.169 -7.324 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.556 -4.275 -5.936 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -6.813 -4.544 -7.167 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.165 -2.811 -7.322 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.158 -2.192 -8.183 1.00 1.00 C ATOM 1310 C GLY A 83 -11.030 -1.183 -7.445 1.00 1.00 C ATOM 1311 O GLY A 83 -11.324 -0.107 -7.973 1.00 1.00 O ATOM 0 H GLY A 83 -9.303 -3.813 -7.194 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.655 -1.694 -9.011 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -10.792 -2.966 -8.615 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.505 -1.526 -6.251 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.373 -0.656 -5.473 1.00 1.00 C ATOM 1317 C GLN A 84 -11.588 0.534 -4.923 1.00 1.00 C ATOM 1318 O GLN A 84 -12.139 1.618 -4.852 1.00 1.00 O ATOM 1319 CB GLN A 84 -13.101 -1.446 -4.375 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.334 -2.195 -4.913 1.00 1.00 C ATOM 1321 CD GLN A 84 -14.028 -3.466 -5.702 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -13.948 -4.551 -5.132 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -13.902 -3.395 -7.019 1.00 1.00 N ATOM 0 H GLN A 84 -11.297 -2.416 -5.798 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.145 -0.251 -6.128 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.411 -2.161 -3.927 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.410 -0.763 -3.584 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -14.977 -2.454 -4.072 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.901 -1.518 -5.551 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -13.969 -2.493 -7.490 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -13.738 -4.243 -7.562 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.302 0.381 -4.613 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.387 1.432 -4.175 1.00 1.00 C ATOM 1334 C LEU A 85 -9.176 2.447 -5.301 1.00 1.00 C ATOM 1335 O LEU A 85 -9.274 3.661 -5.096 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.068 0.743 -3.795 1.00 1.00 C ATOM 1337 CG LEU A 85 -6.955 1.657 -3.289 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.260 2.064 -1.858 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.647 0.876 -3.250 1.00 1.00 C ATOM 0 H LEU A 85 -9.846 -0.530 -4.664 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.788 1.979 -3.322 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.278 -0.000 -3.026 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.699 0.203 -4.667 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.881 2.525 -3.944 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.469 2.717 -1.489 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.212 2.593 -1.825 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.317 1.174 -1.231 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.847 1.523 -2.889 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.753 0.022 -2.581 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.404 0.523 -4.252 1.00 1.00 H new ATOM 1351 N GLN A 86 -8.898 1.928 -6.500 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.763 2.691 -7.730 1.00 1.00 C ATOM 1353 C GLN A 86 -10.036 3.521 -7.932 1.00 1.00 C ATOM 1354 O GLN A 86 -9.942 4.739 -8.081 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.492 1.690 -8.867 1.00 1.00 C ATOM 1356 CG GLN A 86 -8.336 2.272 -10.277 1.00 1.00 C ATOM 1357 CD GLN A 86 -8.463 1.157 -11.322 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -7.936 0.054 -11.159 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -9.188 1.398 -12.400 1.00 1.00 N ATOM 0 H GLN A 86 -8.757 0.927 -6.639 1.00 1.00 H new ATOM 0 HA GLN A 86 -7.932 3.396 -7.703 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.584 1.138 -8.625 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.308 0.968 -8.886 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -9.096 3.033 -10.451 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -7.367 2.762 -10.372 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -9.621 2.312 -12.529 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -9.314 0.670 -13.103 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.210 2.880 -7.901 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.509 3.533 -8.039 1.00 1.00 C ATOM 1370 C ALA A 87 -12.757 4.556 -6.924 1.00 1.00 C ATOM 1371 O ALA A 87 -13.166 5.677 -7.201 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.617 2.475 -8.062 1.00 1.00 C ATOM 0 H ALA A 87 -11.281 1.870 -7.776 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.514 4.082 -8.981 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.585 2.965 -8.165 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.459 1.801 -8.904 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.595 1.905 -7.133 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.478 4.202 -5.672 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.679 5.048 -4.505 1.00 1.00 C ATOM 1380 C ALA A 88 -11.907 6.358 -4.637 1.00 1.00 C ATOM 1381 O ALA A 88 -12.409 7.406 -4.226 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.239 4.285 -3.249 1.00 1.00 C ATOM 0 H ALA A 88 -12.093 3.287 -5.437 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.737 5.298 -4.426 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.387 4.914 -2.371 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -12.832 3.376 -3.149 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.184 4.022 -3.334 1.00 1.00 H new ATOM 1388 N THR A 89 -10.702 6.306 -5.205 1.00 1.00 N ATOM 1389 CA THR A 89 -9.876 7.489 -5.419 1.00 1.00 C ATOM 1390 C THR A 89 -10.253 8.229 -6.720 1.00 1.00 C ATOM 1391 O THR A 89 -9.792 9.347 -6.952 1.00 1.00 O ATOM 1392 CB THR A 89 -8.388 7.087 -5.349 1.00 1.00 C ATOM 1393 OG1 THR A 89 -8.157 6.159 -4.300 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.514 8.310 -5.050 1.00 1.00 C ATOM 0 H THR A 89 -10.273 5.440 -5.529 1.00 1.00 H new ATOM 0 HA THR A 89 -10.064 8.212 -4.625 1.00 1.00 H new ATOM 0 HB THR A 89 -8.137 6.647 -6.314 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.490 5.276 -4.565 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.468 8.007 -5.004 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.643 9.051 -5.839 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.809 8.743 -4.094 1.00 1.00 H new ATOM 1402 N HIS A 90 -11.123 7.662 -7.563 1.00 1.00 N ATOM 1403 CA HIS A 90 -11.553 8.199 -8.852 1.00 1.00 C ATOM 1404 C HIS A 90 -12.647 9.270 -8.674 1.00 1.00 C ATOM 1405 O HIS A 90 -13.613 9.332 -9.448 1.00 1.00 O ATOM 1406 CB HIS A 90 -12.020 7.025 -9.727 1.00 1.00 C ATOM 1407 CG HIS A 90 -12.036 7.257 -11.212 1.00 1.00 C ATOM 1408 ND1 HIS A 90 -11.635 8.383 -11.900 1.00 1.00 N ATOM 1409 CD2 HIS A 90 -12.338 6.289 -12.126 1.00 1.00 C ATOM 1410 CE1 HIS A 90 -11.691 8.092 -13.211 1.00 1.00 C ATOM 1411 NE2 HIS A 90 -12.120 6.832 -13.392 1.00 1.00 N ATOM 0 H HIS A 90 -11.568 6.769 -7.350 1.00 1.00 H new ATOM 0 HA HIS A 90 -10.723 8.703 -9.347 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -11.375 6.170 -9.523 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -13.027 6.747 -9.415 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -12.682 5.288 -11.909 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -11.428 8.774 -14.006 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -12.260 6.361 -14.286 1.00 1.00 H new ATOM 1419 N GLN A 91 -12.562 10.054 -7.598 1.00 1.00 N ATOM 1420 CA GLN A 91 -13.440 11.180 -7.320 1.00 1.00 C ATOM 1421 C GLN A 91 -13.210 12.204 -8.416 1.00 1.00 C ATOM 1422 O GLN A 91 -12.047 12.378 -8.835 1.00 1.00 O ATOM 1423 CB GLN A 91 -13.132 11.720 -5.911 1.00 1.00 C ATOM 1424 CG GLN A 91 -14.110 12.802 -5.415 1.00 1.00 C ATOM 1425 CD GLN A 91 -13.530 14.219 -5.492 1.00 1.00 C ATOM 1426 OE1 GLN A 91 -13.780 14.975 -6.430 1.00 1.00 O ATOM 1427 NE2 GLN A 91 -12.746 14.624 -4.506 1.00 1.00 N ATOM 1428 OXT GLN A 91 -14.192 12.801 -8.903 1.00 1.00 O ATOM 0 H GLN A 91 -11.856 9.914 -6.876 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.494 10.903 -7.322 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -13.142 10.888 -5.206 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -12.122 12.130 -5.905 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -15.023 12.757 -6.008 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -14.389 12.586 -4.384 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -12.539 13.997 -3.729 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -12.349 15.563 -4.523 1.00 1.00 H new TER 1437 GLN A 91