USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 845 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 68 LYS NZ :NH3+ 177:sc= -8.05! (180deg=-8.48!) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0.0648 USER MOD Set 2.1: A 58 GLN : amide:sc= -2.23 X(o=-1.5,f=-0.99) USER MOD Set 2.2: A 75 HIS : no HD1:sc= 0.747 K(o=-1.5,f=-5!) USER MOD Single : A 1 ASP N :NH3+ 132:sc= 1.65 (180deg=0.808) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.359 X(o=0.36,f=-0.098) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc=-0.00876 (180deg=-0.13) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 1.17 (180deg=0.958) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= -9.82! (180deg=-9.88!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-0.91) USER MOD Single : A 60 HIS : no HE2:sc= 0.349 K(o=0.35,f=-5.2!) USER MOD Single : A 62 SER OG : rot 69:sc= 0.333 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -85:sc= -0.741 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -4.09! K(o=-4.1!,f=-0.42) USER MOD Single : A 84 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 87 TYR OH : rot -85:sc= -0.566 USER MOD Single : A 89 CYS SG : rot -76:sc= -2.42! USER MOD Single : A 92 SER OG : rot -59:sc= 0.38 USER MOD Single : A 93 THR OG1 : rot -38:sc= -5.33! USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= -3.43! (180deg=-4.06!) USER MOD Single : A 96 LYS NZ :NH3+ -171:sc= 1.13 (180deg=0.954) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 176:sc= -0.255 USER MOD Single : A 101 ASN : amide:sc= 0.754 K(o=0.75,f=-0.29) USER MOD Single : A 103 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.34) USER MOD Single : A 105 THR OG1 : rot 102:sc= 1.04 USER MOD Single : A 107 HIS : no HE2:sc=-0.00155 K(o=-0.0015,f=-0.92) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -17.752 -11.148 0.789 1.00 0.92 N ATOM 2 CA ASP A 1 -17.584 -10.033 -0.171 1.00 0.81 C ATOM 3 C ASP A 1 -18.856 -9.806 -0.951 1.00 0.80 C ATOM 4 O ASP A 1 -19.359 -10.703 -1.627 1.00 0.99 O ATOM 5 CB ASP A 1 -16.461 -10.334 -1.156 1.00 0.90 C ATOM 6 CG ASP A 1 -15.183 -10.780 -0.500 1.00 1.34 C ATOM 7 OD1 ASP A 1 -15.168 -11.896 0.042 1.00 1.68 O ATOM 8 OD2 ASP A 1 -14.200 -10.016 -0.511 1.00 1.93 O ATOM 0 H1 ASP A 1 -16.945 -11.800 0.709 1.00 0.92 H new ATOM 0 H2 ASP A 1 -17.796 -10.769 1.757 1.00 0.92 H new ATOM 0 H3 ASP A 1 -18.632 -11.659 0.577 1.00 0.92 H new ATOM 0 HA ASP A 1 -17.339 -9.140 0.404 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -16.794 -11.109 -1.847 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -16.262 -9.442 -1.750 1.00 0.90 H new ATOM 13 N ASP A 2 -19.381 -8.608 -0.831 1.00 0.70 N ATOM 14 CA ASP A 2 -20.439 -8.143 -1.674 1.00 0.72 C ATOM 15 C ASP A 2 -19.833 -7.617 -2.973 1.00 0.70 C ATOM 16 O ASP A 2 -18.609 -7.525 -3.077 1.00 0.75 O ATOM 17 CB ASP A 2 -21.140 -7.030 -0.927 1.00 0.79 C ATOM 18 CG ASP A 2 -22.047 -7.522 0.176 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.089 -8.123 -0.157 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.719 -7.328 1.358 1.00 1.65 O ATOM 0 H ASP A 2 -19.076 -7.927 -0.135 1.00 0.70 H new ATOM 0 HA ASP A 2 -21.146 -8.936 -1.918 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.392 -6.362 -0.500 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.726 -6.442 -1.633 1.00 0.79 H new ATOM 25 N PRO A 3 -20.648 -7.259 -3.976 1.00 0.71 N ATOM 26 CA PRO A 3 -20.130 -6.684 -5.219 1.00 0.72 C ATOM 27 C PRO A 3 -19.567 -5.271 -5.038 1.00 0.66 C ATOM 28 O PRO A 3 -20.237 -4.270 -5.300 1.00 0.97 O ATOM 29 CB PRO A 3 -21.341 -6.675 -6.151 1.00 0.84 C ATOM 30 CG PRO A 3 -22.529 -6.676 -5.250 1.00 0.94 C ATOM 31 CD PRO A 3 -22.117 -7.418 -4.007 1.00 0.81 C ATOM 0 HA PRO A 3 -19.290 -7.262 -5.604 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.336 -5.795 -6.795 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.342 -7.548 -6.804 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.836 -5.658 -5.011 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -23.379 -7.162 -5.729 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.584 -6.998 -3.116 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.405 -8.468 -4.053 1.00 0.81 H new ATOM 39 N ILE A 4 -18.335 -5.210 -4.561 1.00 0.45 N ATOM 40 CA ILE A 4 -17.617 -3.953 -4.402 1.00 0.41 C ATOM 41 C ILE A 4 -16.507 -3.864 -5.424 1.00 0.41 C ATOM 42 O ILE A 4 -16.569 -3.085 -6.375 1.00 0.50 O ATOM 43 CB ILE A 4 -16.999 -3.843 -2.985 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.056 -3.451 -1.952 1.00 0.42 C ATOM 45 CG2 ILE A 4 -15.848 -2.840 -2.933 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.045 -4.538 -1.638 1.00 0.46 C ATOM 0 H ILE A 4 -17.802 -6.031 -4.272 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.328 -3.139 -4.545 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.604 -4.830 -2.745 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.555 -3.154 -1.031 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.597 -2.577 -2.316 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.448 -2.798 -1.920 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.062 -3.152 -3.621 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.212 -1.854 -3.221 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -19.759 -4.178 -0.897 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.576 -4.820 -2.547 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.518 -5.406 -1.242 1.00 0.46 H new ATOM 58 N GLY A 5 -15.497 -4.687 -5.216 1.00 0.36 N ATOM 59 CA GLY A 5 -14.307 -4.603 -6.022 1.00 0.39 C ATOM 60 C GLY A 5 -13.350 -3.650 -5.373 1.00 0.33 C ATOM 61 O GLY A 5 -12.852 -2.712 -5.989 1.00 0.33 O ATOM 0 H GLY A 5 -15.481 -5.414 -4.500 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -13.849 -5.587 -6.123 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.555 -4.262 -7.027 1.00 0.39 H new ATOM 65 N LEU A 6 -13.138 -3.914 -4.095 1.00 0.32 N ATOM 66 CA LEU A 6 -12.372 -3.068 -3.202 1.00 0.29 C ATOM 67 C LEU A 6 -11.018 -2.754 -3.807 1.00 0.29 C ATOM 68 O LEU A 6 -10.536 -1.625 -3.741 1.00 0.33 O ATOM 69 CB LEU A 6 -12.230 -3.818 -1.884 1.00 0.29 C ATOM 70 CG LEU A 6 -12.265 -2.988 -0.612 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.387 -1.965 -0.615 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.430 -3.921 0.557 1.00 0.28 C ATOM 0 H LEU A 6 -13.506 -4.749 -3.639 1.00 0.32 H new ATOM 0 HA LEU A 6 -12.874 -2.115 -3.037 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.028 -4.558 -1.828 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.288 -4.366 -1.906 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.331 -2.431 -0.541 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.366 -1.400 0.317 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.256 -1.284 -1.456 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.345 -2.476 -0.708 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.458 -3.344 1.482 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.360 -4.478 0.449 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.592 -4.617 0.588 1.00 0.28 H new ATOM 84 N PHE A 7 -10.431 -3.758 -4.425 1.00 0.30 N ATOM 85 CA PHE A 7 -9.197 -3.586 -5.150 1.00 0.32 C ATOM 86 C PHE A 7 -9.475 -3.136 -6.569 1.00 0.29 C ATOM 87 O PHE A 7 -9.591 -3.942 -7.497 1.00 0.32 O ATOM 88 CB PHE A 7 -8.389 -4.872 -5.137 1.00 0.41 C ATOM 89 CG PHE A 7 -7.219 -4.823 -4.197 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.248 -4.021 -3.062 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.090 -5.573 -4.451 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.168 -3.973 -2.205 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.009 -5.530 -3.600 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.045 -4.729 -2.476 1.00 0.61 C ATOM 0 H PHE A 7 -10.797 -4.710 -4.437 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.609 -2.812 -4.657 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.039 -5.700 -4.855 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.029 -5.078 -6.145 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.126 -3.429 -2.849 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.054 -6.202 -5.328 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.201 -3.347 -1.326 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.132 -6.123 -3.812 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.196 -4.694 -1.810 1.00 0.61 H new ATOM 104 N VAL A 8 -9.625 -1.838 -6.703 1.00 0.28 N ATOM 105 CA VAL A 8 -9.805 -1.202 -7.995 1.00 0.34 C ATOM 106 C VAL A 8 -8.507 -1.295 -8.784 1.00 0.44 C ATOM 107 O VAL A 8 -8.499 -1.604 -9.976 1.00 0.63 O ATOM 108 CB VAL A 8 -10.208 0.274 -7.823 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.601 0.901 -9.148 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.335 0.393 -6.811 1.00 0.33 C ATOM 0 H VAL A 8 -9.626 -1.188 -5.917 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.602 -1.714 -8.534 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.342 0.821 -7.450 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.880 1.943 -8.989 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.759 0.852 -9.838 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.448 0.359 -9.570 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.612 1.441 -6.697 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.198 -0.175 -7.159 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.004 -0.002 -5.850 1.00 0.33 H new ATOM 120 N MET A 9 -7.410 -1.042 -8.089 1.00 0.43 N ATOM 121 CA MET A 9 -6.077 -1.218 -8.638 1.00 0.65 C ATOM 122 C MET A 9 -5.146 -1.607 -7.512 1.00 0.44 C ATOM 123 O MET A 9 -5.135 -0.969 -6.456 1.00 0.44 O ATOM 124 CB MET A 9 -5.572 0.050 -9.311 1.00 1.05 C ATOM 125 CG MET A 9 -4.252 -0.129 -10.033 1.00 1.45 C ATOM 126 SD MET A 9 -3.661 1.409 -10.768 1.00 2.35 S ATOM 127 CE MET A 9 -2.186 0.850 -11.614 1.00 2.88 C ATOM 0 H MET A 9 -7.420 -0.708 -7.125 1.00 0.43 H new ATOM 0 HA MET A 9 -6.110 -1.998 -9.399 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.321 0.396 -10.023 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.462 0.831 -8.559 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.506 -0.505 -9.333 1.00 1.45 H new ATOM 0 HG3 MET A 9 -4.366 -0.882 -10.813 1.00 1.45 H new ATOM 0 HE1 MET A 9 -1.712 1.694 -12.116 1.00 2.88 H new ATOM 0 HE2 MET A 9 -1.492 0.422 -10.891 1.00 2.88 H new ATOM 0 HE3 MET A 9 -2.454 0.093 -12.351 1.00 2.88 H new ATOM 137 N ARG A 10 -4.389 -2.657 -7.728 1.00 0.47 N ATOM 138 CA ARG A 10 -3.542 -3.208 -6.685 1.00 0.41 C ATOM 139 C ARG A 10 -2.078 -2.860 -6.925 1.00 0.39 C ATOM 140 O ARG A 10 -1.556 -3.076 -8.014 1.00 0.45 O ATOM 141 CB ARG A 10 -3.717 -4.725 -6.601 1.00 0.46 C ATOM 142 CG ARG A 10 -3.163 -5.493 -7.791 1.00 0.97 C ATOM 143 CD ARG A 10 -3.296 -6.992 -7.593 1.00 1.34 C ATOM 144 NE ARG A 10 -2.435 -7.741 -8.506 1.00 2.11 N ATOM 145 CZ ARG A 10 -2.441 -9.066 -8.603 1.00 2.72 C ATOM 146 NH1 ARG A 10 -3.332 -9.778 -7.926 1.00 2.74 N ATOM 147 NH2 ARG A 10 -1.572 -9.679 -9.396 1.00 3.67 N ATOM 0 H ARG A 10 -4.339 -3.152 -8.619 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.846 -2.764 -5.737 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -3.230 -5.084 -5.695 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.779 -4.950 -6.502 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.692 -5.196 -8.696 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.114 -5.235 -7.936 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -3.042 -7.246 -6.564 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -4.334 -7.288 -7.748 1.00 1.34 H new ATOM 0 HE ARG A 10 -1.794 -7.217 -9.102 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -4.014 -9.308 -7.330 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -3.336 -10.795 -8.001 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -0.898 -9.133 -9.932 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -1.578 -10.696 -9.469 1.00 3.67 H new ATOM 161 N PRO A 11 -1.401 -2.322 -5.905 1.00 0.43 N ATOM 162 CA PRO A 11 0.004 -1.923 -6.012 1.00 0.50 C ATOM 163 C PRO A 11 0.912 -3.102 -6.343 1.00 0.47 C ATOM 164 O PRO A 11 0.554 -4.261 -6.111 1.00 0.54 O ATOM 165 CB PRO A 11 0.340 -1.350 -4.635 1.00 0.62 C ATOM 166 CG PRO A 11 -0.740 -1.808 -3.727 1.00 0.64 C ATOM 167 CD PRO A 11 -1.952 -2.066 -4.570 1.00 0.53 C ATOM 0 HA PRO A 11 0.158 -1.207 -6.819 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.313 -1.702 -4.293 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.388 -0.262 -4.666 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.440 -2.713 -3.199 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.952 -1.053 -2.970 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.521 -2.919 -4.202 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.627 -1.210 -4.573 1.00 0.53 H new ATOM 175 N GLN A 12 2.076 -2.799 -6.889 1.00 0.44 N ATOM 176 CA GLN A 12 2.972 -3.805 -7.421 1.00 0.43 C ATOM 177 C GLN A 12 4.362 -3.677 -6.827 1.00 0.37 C ATOM 178 O GLN A 12 4.629 -2.747 -6.079 1.00 0.40 O ATOM 179 CB GLN A 12 3.038 -3.628 -8.921 1.00 0.55 C ATOM 180 CG GLN A 12 1.729 -3.961 -9.613 1.00 0.73 C ATOM 181 CD GLN A 12 1.409 -5.444 -9.564 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.744 -6.188 -10.481 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.785 -5.894 -8.483 1.00 1.32 N ATOM 0 H GLN A 12 2.426 -1.845 -6.975 1.00 0.44 H new ATOM 0 HA GLN A 12 2.595 -4.795 -7.163 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.312 -2.598 -9.149 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.827 -4.264 -9.322 1.00 0.55 H new ATOM 0 HG2 GLN A 12 0.920 -3.402 -9.143 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.778 -3.637 -10.653 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.521 -5.247 -7.740 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.569 -6.887 -8.395 1.00 1.32 H new ATOM 192 N ASP A 13 5.238 -4.619 -7.161 1.00 0.34 N ATOM 193 CA ASP A 13 6.560 -4.665 -6.683 1.00 0.33 C ATOM 194 C ASP A 13 7.406 -3.548 -7.256 1.00 0.36 C ATOM 195 O ASP A 13 6.930 -2.466 -7.608 1.00 0.50 O ATOM 196 CB ASP A 13 7.129 -6.017 -7.104 1.00 0.35 C ATOM 197 CG ASP A 13 6.851 -6.356 -8.560 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.712 -6.763 -8.877 1.00 1.03 O ATOM 199 OD2 ASP A 13 7.771 -6.209 -9.395 1.00 2.06 O ATOM 0 H ASP A 13 5.011 -5.385 -7.795 1.00 0.34 H new ATOM 0 HA ASP A 13 6.569 -4.539 -5.600 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.206 -6.019 -6.936 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.706 -6.796 -6.469 1.00 0.35 H new ATOM 204 N GLY A 14 8.660 -3.856 -7.383 1.00 0.30 N ATOM 205 CA GLY A 14 9.626 -2.887 -7.809 1.00 0.30 C ATOM 206 C GLY A 14 11.014 -3.204 -7.333 1.00 0.25 C ATOM 207 O GLY A 14 11.245 -3.556 -6.178 1.00 0.28 O ATOM 0 H GLY A 14 9.043 -4.782 -7.195 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.623 -2.832 -8.898 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.335 -1.904 -7.439 1.00 0.30 H new ATOM 211 N GLU A 15 11.920 -3.081 -8.255 1.00 0.26 N ATOM 212 CA GLU A 15 13.341 -3.246 -8.013 1.00 0.25 C ATOM 213 C GLU A 15 13.988 -1.879 -8.126 1.00 0.23 C ATOM 214 O GLU A 15 14.018 -1.297 -9.208 1.00 0.30 O ATOM 215 CB GLU A 15 13.970 -4.193 -9.045 1.00 0.33 C ATOM 216 CG GLU A 15 13.763 -5.683 -8.788 1.00 0.69 C ATOM 217 CD GLU A 15 12.310 -6.099 -8.700 1.00 1.11 C ATOM 218 OE1 GLU A 15 11.570 -5.888 -9.687 1.00 1.53 O ATOM 219 OE2 GLU A 15 11.896 -6.609 -7.639 1.00 1.48 O ATOM 0 H GLU A 15 11.697 -2.858 -9.225 1.00 0.26 H new ATOM 0 HA GLU A 15 13.496 -3.677 -7.024 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.563 -3.952 -10.027 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.041 -3.996 -9.087 1.00 0.33 H new ATOM 0 HG2 GLU A 15 14.244 -6.249 -9.586 1.00 0.69 H new ATOM 0 HG3 GLU A 15 14.264 -5.954 -7.859 1.00 0.69 H new ATOM 226 N VAL A 16 14.489 -1.349 -7.025 1.00 0.20 N ATOM 227 CA VAL A 16 14.964 -0.025 -6.984 1.00 0.21 C ATOM 228 C VAL A 16 16.289 -0.026 -6.283 1.00 0.22 C ATOM 229 O VAL A 16 16.669 -0.995 -5.647 1.00 0.27 O ATOM 230 CB VAL A 16 13.995 0.905 -6.239 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.559 0.666 -6.666 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.143 0.784 -4.724 1.00 0.23 C ATOM 0 H VAL A 16 14.568 -1.850 -6.140 1.00 0.20 H new ATOM 0 HA VAL A 16 15.057 0.346 -8.005 1.00 0.21 H new ATOM 0 HB VAL A 16 14.260 1.926 -6.513 1.00 0.22 H new ATOM 0 HG11 VAL A 16 11.900 1.341 -6.120 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.462 0.851 -7.736 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.282 -0.366 -6.450 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.440 1.458 -4.235 1.00 0.23 H new ATOM 0 HG22 VAL A 16 13.935 -0.241 -4.419 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.160 1.049 -4.435 1.00 0.23 H new ATOM 242 N THR A 17 16.975 1.040 -6.434 1.00 0.23 N ATOM 243 CA THR A 17 18.264 1.229 -5.815 1.00 0.27 C ATOM 244 C THR A 17 18.099 1.994 -4.511 1.00 0.28 C ATOM 245 O THR A 17 17.129 2.739 -4.334 1.00 0.28 O ATOM 246 CB THR A 17 19.201 2.025 -6.733 1.00 0.35 C ATOM 247 OG1 THR A 17 18.771 1.898 -8.097 1.00 0.77 O ATOM 248 CG2 THR A 17 20.634 1.533 -6.609 1.00 0.56 C ATOM 0 H THR A 17 16.667 1.832 -6.998 1.00 0.23 H new ATOM 0 HA THR A 17 18.696 0.246 -5.627 1.00 0.27 H new ATOM 0 HB THR A 17 19.164 3.071 -6.429 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.372 2.410 -8.678 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.277 2.114 -7.270 1.00 0.56 H new ATOM 0 HG22 THR A 17 20.971 1.651 -5.579 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.683 0.481 -6.889 1.00 0.56 H new ATOM 256 N VAL A 18 19.037 1.809 -3.600 1.00 0.31 N ATOM 257 CA VAL A 18 19.049 2.561 -2.374 1.00 0.35 C ATOM 258 C VAL A 18 19.394 3.980 -2.691 1.00 0.36 C ATOM 259 O VAL A 18 20.530 4.339 -3.007 1.00 0.39 O ATOM 260 CB VAL A 18 20.047 2.049 -1.336 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.041 2.941 -0.103 1.00 0.76 C ATOM 262 CG2 VAL A 18 19.744 0.624 -0.936 1.00 0.78 C ATOM 0 H VAL A 18 19.801 1.139 -3.694 1.00 0.31 H new ATOM 0 HA VAL A 18 18.056 2.457 -1.937 1.00 0.35 H new ATOM 0 HB VAL A 18 21.036 2.074 -1.793 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.758 2.561 0.625 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.317 3.957 -0.387 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.044 2.946 0.338 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.472 0.291 -0.197 1.00 0.78 H new ATOM 0 HG22 VAL A 18 18.743 0.571 -0.508 1.00 0.78 H new ATOM 0 HG23 VAL A 18 19.798 -0.020 -1.814 1.00 0.78 H new ATOM 272 N GLY A 19 18.377 4.747 -2.637 1.00 0.38 N ATOM 273 CA GLY A 19 18.510 6.170 -2.800 1.00 0.45 C ATOM 274 C GLY A 19 17.683 6.707 -3.937 1.00 0.40 C ATOM 275 O GLY A 19 17.773 7.891 -4.261 1.00 0.48 O ATOM 0 H GLY A 19 17.422 4.424 -2.480 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.214 6.666 -1.876 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.558 6.415 -2.972 1.00 0.45 H new ATOM 279 N GLY A 20 16.894 5.850 -4.573 1.00 0.32 N ATOM 280 CA GLY A 20 15.958 6.330 -5.523 1.00 0.32 C ATOM 281 C GLY A 20 14.662 6.533 -4.855 1.00 0.30 C ATOM 282 O GLY A 20 14.523 7.300 -3.909 1.00 0.44 O ATOM 0 H GLY A 20 16.899 4.839 -4.437 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.309 7.266 -5.958 1.00 0.32 H new ATOM 0 HA3 GLY A 20 15.853 5.618 -6.342 1.00 0.32 H new ATOM 286 N SER A 21 13.726 5.833 -5.358 1.00 0.24 N ATOM 287 CA SER A 21 12.439 5.771 -4.816 1.00 0.22 C ATOM 288 C SER A 21 11.801 4.449 -5.134 1.00 0.22 C ATOM 289 O SER A 21 12.338 3.626 -5.870 1.00 0.25 O ATOM 290 CB SER A 21 11.610 6.890 -5.374 1.00 0.30 C ATOM 291 OG SER A 21 11.757 7.002 -6.780 1.00 0.82 O ATOM 0 H SER A 21 13.845 5.264 -6.196 1.00 0.24 H new ATOM 0 HA SER A 21 12.502 5.871 -3.732 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.561 6.722 -5.130 1.00 0.30 H new ATOM 0 HB3 SER A 21 11.901 7.828 -4.902 1.00 0.30 H new ATOM 0 HG SER A 21 11.202 7.739 -7.109 1.00 0.82 H new ATOM 297 N ILE A 22 10.660 4.284 -4.558 1.00 0.22 N ATOM 298 CA ILE A 22 9.734 3.271 -4.890 1.00 0.24 C ATOM 299 C ILE A 22 8.372 3.857 -4.672 1.00 0.25 C ATOM 300 O ILE A 22 8.150 4.721 -3.825 1.00 0.27 O ATOM 301 CB ILE A 22 9.917 1.981 -4.090 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.957 0.903 -4.573 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.760 2.197 -2.593 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.209 0.437 -5.993 1.00 0.32 C ATOM 0 H ILE A 22 10.336 4.888 -3.803 1.00 0.22 H new ATOM 0 HA ILE A 22 9.887 2.968 -5.926 1.00 0.24 H new ATOM 0 HB ILE A 22 10.941 1.648 -4.263 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.025 0.045 -3.904 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.938 1.282 -4.503 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.900 1.250 -2.072 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.506 2.914 -2.249 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.762 2.583 -2.384 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.482 -0.331 -6.258 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.111 1.281 -6.676 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.215 0.025 -6.068 1.00 0.32 H new ATOM 316 N THR A 23 7.493 3.429 -5.470 1.00 0.25 N ATOM 317 CA THR A 23 6.169 4.004 -5.507 1.00 0.23 C ATOM 318 C THR A 23 5.120 2.940 -5.659 1.00 0.24 C ATOM 319 O THR A 23 5.182 2.085 -6.544 1.00 0.28 O ATOM 320 CB THR A 23 5.996 5.046 -6.623 1.00 0.26 C ATOM 321 OG1 THR A 23 7.091 5.973 -6.599 1.00 0.31 O ATOM 322 CG2 THR A 23 4.682 5.806 -6.453 1.00 0.24 C ATOM 0 H THR A 23 7.643 2.667 -6.131 1.00 0.25 H new ATOM 0 HA THR A 23 6.043 4.514 -4.552 1.00 0.23 H new ATOM 0 HB THR A 23 5.979 4.525 -7.580 1.00 0.26 H new ATOM 0 HG1 THR A 23 6.976 6.634 -7.314 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.579 6.539 -7.253 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.848 5.105 -6.494 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.679 6.317 -5.490 1.00 0.24 H new ATOM 330 N PHE A 24 4.172 3.005 -4.772 1.00 0.24 N ATOM 331 CA PHE A 24 3.055 2.111 -4.781 1.00 0.27 C ATOM 332 C PHE A 24 1.766 2.904 -4.776 1.00 0.24 C ATOM 333 O PHE A 24 1.665 3.938 -4.126 1.00 0.30 O ATOM 334 CB PHE A 24 3.100 1.216 -3.560 1.00 0.40 C ATOM 335 CG PHE A 24 4.412 0.510 -3.363 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.911 -0.348 -4.324 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.139 0.701 -2.201 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.110 -1.005 -4.130 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.337 0.052 -2.002 1.00 0.51 C ATOM 340 CZ PHE A 24 6.822 -0.805 -2.966 1.00 0.49 C ATOM 0 H PHE A 24 4.153 3.688 -4.014 1.00 0.24 H new ATOM 0 HA PHE A 24 3.101 1.496 -5.680 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.886 1.816 -2.675 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.308 0.472 -3.639 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.357 -0.507 -5.237 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.762 1.368 -1.440 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.489 -1.674 -4.888 1.00 0.53 H new ATOM 0 HE2 PHE A 24 6.896 0.214 -1.092 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.759 -1.319 -2.810 1.00 0.49 H new ATOM 350 N SER A 25 0.803 2.429 -5.510 1.00 0.28 N ATOM 351 CA SER A 25 -0.507 3.022 -5.527 1.00 0.28 C ATOM 352 C SER A 25 -1.560 1.942 -5.361 1.00 0.27 C ATOM 353 O SER A 25 -1.679 1.021 -6.171 1.00 0.31 O ATOM 354 CB SER A 25 -0.755 3.778 -6.823 1.00 0.35 C ATOM 355 OG SER A 25 0.457 4.055 -7.514 1.00 0.58 O ATOM 0 H SER A 25 0.902 1.616 -6.117 1.00 0.28 H new ATOM 0 HA SER A 25 -0.568 3.730 -4.701 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.413 3.193 -7.465 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.271 4.713 -6.605 1.00 0.35 H new ATOM 0 HG SER A 25 0.258 4.540 -8.342 1.00 0.58 H new ATOM 361 N ALA A 26 -2.304 2.074 -4.300 1.00 0.26 N ATOM 362 CA ALA A 26 -3.365 1.146 -3.958 1.00 0.26 C ATOM 363 C ALA A 26 -4.706 1.860 -4.057 1.00 0.22 C ATOM 364 O ALA A 26 -4.998 2.768 -3.285 1.00 0.25 O ATOM 365 CB ALA A 26 -3.134 0.599 -2.549 1.00 0.32 C ATOM 0 H ALA A 26 -2.196 2.838 -3.633 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.367 0.306 -4.652 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.932 -0.098 -2.294 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.175 0.082 -2.512 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.130 1.423 -1.835 1.00 0.32 H new ATOM 371 N ARG A 27 -5.520 1.453 -5.009 1.00 0.22 N ATOM 372 CA ARG A 27 -6.791 2.110 -5.245 1.00 0.25 C ATOM 373 C ARG A 27 -7.919 1.278 -4.666 1.00 0.23 C ATOM 374 O ARG A 27 -8.135 0.139 -5.090 1.00 0.31 O ATOM 375 CB ARG A 27 -7.008 2.325 -6.742 1.00 0.36 C ATOM 376 CG ARG A 27 -5.959 3.218 -7.388 1.00 0.28 C ATOM 377 CD ARG A 27 -6.228 3.395 -8.872 1.00 0.46 C ATOM 378 NE ARG A 27 -5.210 4.214 -9.532 1.00 1.22 N ATOM 379 CZ ARG A 27 -5.147 4.400 -10.853 1.00 1.55 C ATOM 380 NH1 ARG A 27 -6.076 3.879 -11.646 1.00 1.46 N ATOM 381 NH2 ARG A 27 -4.161 5.110 -11.379 1.00 2.43 N ATOM 0 H ARG A 27 -5.325 0.670 -5.633 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.780 3.083 -4.753 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.008 1.357 -7.243 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -7.993 2.764 -6.898 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -5.954 4.192 -6.898 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -4.970 2.784 -7.244 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.268 2.416 -9.350 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.206 3.857 -9.008 1.00 0.46 H new ATOM 0 HE ARG A 27 -4.508 4.669 -8.949 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.841 3.335 -11.247 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -6.025 4.023 -12.654 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -3.447 5.517 -10.775 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -4.116 5.250 -12.388 1.00 2.43 H new ATOM 395 N VAL A 28 -8.632 1.840 -3.699 1.00 0.19 N ATOM 396 CA VAL A 28 -9.675 1.123 -3.029 1.00 0.20 C ATOM 397 C VAL A 28 -11.007 1.762 -3.304 1.00 0.23 C ATOM 398 O VAL A 28 -11.211 2.968 -3.127 1.00 0.24 O ATOM 399 CB VAL A 28 -9.458 1.045 -1.519 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.422 0.042 -0.893 1.00 0.26 C ATOM 401 CG2 VAL A 28 -8.013 0.691 -1.225 1.00 0.23 C ATOM 0 H VAL A 28 -8.496 2.796 -3.370 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.656 0.106 -3.421 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.665 2.018 -1.074 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.254 -0.001 0.183 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.448 0.353 -1.088 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.254 -0.944 -1.326 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.864 0.637 -0.147 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.776 -0.274 -1.673 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.359 1.456 -1.644 1.00 0.23 H new ATOM 411 N ALA A 29 -11.875 0.931 -3.786 1.00 0.29 N ATOM 412 CA ALA A 29 -13.247 1.276 -4.057 1.00 0.32 C ATOM 413 C ALA A 29 -13.929 1.754 -2.795 1.00 0.34 C ATOM 414 O ALA A 29 -14.193 0.979 -1.877 1.00 0.40 O ATOM 415 CB ALA A 29 -13.989 0.078 -4.623 1.00 0.38 C ATOM 0 H ALA A 29 -11.648 -0.038 -4.011 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.262 2.081 -4.792 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.025 0.353 -4.823 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.512 -0.240 -5.550 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -13.963 -0.740 -3.902 1.00 0.38 H new ATOM 421 N GLY A 30 -14.169 3.043 -2.757 1.00 0.35 N ATOM 422 CA GLY A 30 -14.931 3.637 -1.687 1.00 0.42 C ATOM 423 C GLY A 30 -16.244 2.929 -1.476 1.00 0.50 C ATOM 424 O GLY A 30 -16.671 2.738 -0.350 1.00 0.76 O ATOM 0 H GLY A 30 -13.844 3.705 -3.462 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.349 3.606 -0.766 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.116 4.687 -1.912 1.00 0.42 H new ATOM 428 N ALA A 31 -16.876 2.570 -2.590 1.00 0.49 N ATOM 429 CA ALA A 31 -18.082 1.748 -2.615 1.00 0.55 C ATOM 430 C ALA A 31 -19.117 2.122 -1.551 1.00 0.64 C ATOM 431 O ALA A 31 -19.370 3.300 -1.296 1.00 0.71 O ATOM 432 CB ALA A 31 -17.668 0.302 -2.466 1.00 0.58 C ATOM 0 H ALA A 31 -16.558 2.848 -3.518 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.580 1.923 -3.568 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.553 -0.333 -2.482 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.008 0.026 -3.289 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.143 0.169 -1.520 1.00 0.58 H new ATOM 438 N SER A 32 -19.739 1.097 -0.975 1.00 0.85 N ATOM 439 CA SER A 32 -20.739 1.266 0.066 1.00 0.96 C ATOM 440 C SER A 32 -20.469 0.279 1.199 1.00 1.01 C ATOM 441 O SER A 32 -20.236 -0.911 0.958 1.00 1.69 O ATOM 442 CB SER A 32 -22.133 1.043 -0.518 1.00 1.19 C ATOM 443 OG SER A 32 -22.306 1.810 -1.698 1.00 1.74 O ATOM 0 H SER A 32 -19.560 0.123 -1.221 1.00 0.85 H new ATOM 0 HA SER A 32 -20.686 2.280 0.464 1.00 0.96 H new ATOM 0 HB2 SER A 32 -22.276 -0.014 -0.741 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.890 1.319 0.216 1.00 1.19 H new ATOM 0 HG SER A 32 -23.203 1.655 -2.060 1.00 1.74 H new ATOM 449 N LEU A 33 -20.488 0.780 2.428 1.00 0.96 N ATOM 450 CA LEU A 33 -20.117 0.001 3.587 1.00 0.93 C ATOM 451 C LEU A 33 -20.729 0.555 4.856 1.00 0.90 C ATOM 452 O LEU A 33 -21.531 1.486 4.820 1.00 0.98 O ATOM 453 CB LEU A 33 -18.593 -0.054 3.768 1.00 0.99 C ATOM 454 CG LEU A 33 -17.756 1.222 3.496 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.348 1.277 2.041 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.472 2.511 3.889 1.00 1.95 C ATOM 0 H LEU A 33 -20.762 1.739 2.642 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.500 -1.004 3.409 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.395 -0.365 4.794 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.213 -0.841 3.117 1.00 0.99 H new ATOM 0 HG LEU A 33 -16.871 1.153 4.129 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.761 2.177 1.862 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -16.750 0.399 1.797 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -18.239 1.294 1.414 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.830 3.365 3.672 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.398 2.600 3.322 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -18.700 2.490 4.955 1.00 1.95 H new ATOM 468 N LEU A 34 -20.336 -0.040 5.975 1.00 0.87 N ATOM 469 CA LEU A 34 -20.656 0.501 7.278 1.00 0.89 C ATOM 470 C LEU A 34 -19.769 1.714 7.539 1.00 0.84 C ATOM 471 O LEU A 34 -20.247 2.800 7.861 1.00 0.95 O ATOM 472 CB LEU A 34 -20.445 -0.547 8.372 1.00 1.01 C ATOM 473 CG LEU A 34 -20.936 -0.117 9.749 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.452 -0.227 9.840 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.261 -0.932 10.838 1.00 1.47 C ATOM 0 H LEU A 34 -19.792 -0.902 6.000 1.00 0.87 H new ATOM 0 HA LEU A 34 -21.705 0.795 7.294 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -20.959 -1.464 8.085 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.383 -0.783 8.434 1.00 1.01 H new ATOM 0 HG LEU A 34 -20.667 0.929 9.898 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -22.781 0.085 10.831 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -22.909 0.415 9.087 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -22.753 -1.260 9.666 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -20.626 -0.609 11.813 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.490 -1.988 10.697 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.182 -0.785 10.787 1.00 1.47 H new ATOM 487 N LYS A 35 -18.469 1.513 7.369 1.00 0.76 N ATOM 488 CA LYS A 35 -17.491 2.580 7.511 1.00 0.76 C ATOM 489 C LYS A 35 -16.406 2.418 6.455 1.00 0.65 C ATOM 490 O LYS A 35 -16.151 1.294 6.011 1.00 0.75 O ATOM 491 CB LYS A 35 -16.900 2.602 8.937 1.00 0.90 C ATOM 492 CG LYS A 35 -16.429 1.243 9.460 1.00 0.92 C ATOM 493 CD LYS A 35 -15.115 0.792 8.830 1.00 0.90 C ATOM 494 CE LYS A 35 -14.649 -0.532 9.408 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.263 -0.420 10.837 1.00 1.40 N ATOM 0 H LYS A 35 -18.065 0.608 7.129 1.00 0.76 H new ATOM 0 HA LYS A 35 -17.983 3.540 7.357 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.058 3.294 8.955 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -17.652 2.997 9.620 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.309 1.297 10.542 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.197 0.496 9.262 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.241 0.696 7.752 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -14.351 1.552 8.995 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -15.444 -1.270 9.306 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -13.799 -0.898 8.832 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -13.781 -1.292 11.136 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -13.623 0.390 10.961 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.115 -0.280 11.417 1.00 1.40 H new ATOM 509 N PRO A 36 -15.783 3.534 6.024 1.00 0.65 N ATOM 510 CA PRO A 36 -14.774 3.541 4.954 1.00 0.56 C ATOM 511 C PRO A 36 -13.757 2.414 5.090 1.00 0.45 C ATOM 512 O PRO A 36 -13.312 2.104 6.199 1.00 0.47 O ATOM 513 CB PRO A 36 -14.098 4.898 5.128 1.00 0.61 C ATOM 514 CG PRO A 36 -15.165 5.773 5.681 1.00 0.88 C ATOM 515 CD PRO A 36 -16.012 4.893 6.561 1.00 0.88 C ATOM 0 HA PRO A 36 -15.222 3.388 3.972 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.246 4.834 5.805 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -13.723 5.280 4.179 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -14.737 6.597 6.251 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -15.761 6.214 4.882 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -15.713 4.966 7.607 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.065 5.171 6.511 1.00 0.88 H new ATOM 523 N PRO A 37 -13.391 1.782 3.960 1.00 0.40 N ATOM 524 CA PRO A 37 -12.462 0.656 3.936 1.00 0.35 C ATOM 525 C PRO A 37 -11.231 0.877 4.784 1.00 0.32 C ATOM 526 O PRO A 37 -10.578 1.921 4.719 1.00 0.36 O ATOM 527 CB PRO A 37 -12.036 0.537 2.480 1.00 0.40 C ATOM 528 CG PRO A 37 -12.737 1.632 1.732 1.00 0.53 C ATOM 529 CD PRO A 37 -13.857 2.116 2.608 1.00 0.47 C ATOM 0 HA PRO A 37 -12.948 -0.233 4.338 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -10.955 0.635 2.384 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.305 -0.440 2.077 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.048 2.445 1.503 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.123 1.264 0.781 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -14.025 3.187 2.493 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.798 1.618 2.371 1.00 0.47 H new ATOM 537 N VAL A 38 -10.917 -0.130 5.561 1.00 0.29 N ATOM 538 CA VAL A 38 -9.741 -0.119 6.372 1.00 0.27 C ATOM 539 C VAL A 38 -8.726 -0.952 5.666 1.00 0.22 C ATOM 540 O VAL A 38 -8.802 -2.177 5.624 1.00 0.20 O ATOM 541 CB VAL A 38 -9.934 -0.717 7.763 1.00 0.31 C ATOM 542 CG1 VAL A 38 -8.881 -0.195 8.731 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.336 -0.469 8.288 1.00 0.77 C ATOM 0 H VAL A 38 -11.476 -0.979 5.644 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.449 0.922 6.513 1.00 0.27 H new ATOM 0 HB VAL A 38 -9.807 -1.796 7.678 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.041 -0.636 9.715 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -7.889 -0.464 8.369 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -8.959 0.890 8.803 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.436 -0.909 9.280 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.518 0.604 8.347 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.062 -0.924 7.615 1.00 0.77 H new ATOM 553 N VAL A 39 -7.812 -0.272 5.106 1.00 0.22 N ATOM 554 CA VAL A 39 -6.728 -0.878 4.409 1.00 0.21 C ATOM 555 C VAL A 39 -5.520 -0.752 5.271 1.00 0.20 C ATOM 556 O VAL A 39 -5.038 0.345 5.546 1.00 0.23 O ATOM 557 CB VAL A 39 -6.401 -0.189 3.087 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.726 -1.159 2.124 1.00 0.28 C ATOM 559 CG2 VAL A 39 -7.638 0.448 2.482 1.00 0.24 C ATOM 0 H VAL A 39 -7.784 0.748 5.112 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.011 -1.908 4.193 1.00 0.21 H new ATOM 0 HB VAL A 39 -5.694 0.616 3.285 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.502 -0.646 1.189 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.800 -1.526 2.567 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.392 -1.999 1.927 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.375 0.931 1.541 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.390 -0.320 2.298 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.039 1.191 3.172 1.00 0.24 H new ATOM 569 N LYS A 40 -5.054 -1.862 5.698 1.00 0.19 N ATOM 570 CA LYS A 40 -3.841 -1.922 6.419 1.00 0.20 C ATOM 571 C LYS A 40 -2.740 -2.290 5.496 1.00 0.19 C ATOM 572 O LYS A 40 -2.779 -3.276 4.756 1.00 0.21 O ATOM 573 CB LYS A 40 -3.913 -2.872 7.606 1.00 0.26 C ATOM 574 CG LYS A 40 -4.426 -4.265 7.274 1.00 0.31 C ATOM 575 CD LYS A 40 -3.312 -5.214 6.826 1.00 0.37 C ATOM 576 CE LYS A 40 -2.402 -5.608 7.973 1.00 0.86 C ATOM 577 NZ LYS A 40 -2.388 -7.080 8.176 1.00 1.54 N ATOM 0 H LYS A 40 -5.507 -2.765 5.556 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.646 -0.935 6.839 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -2.919 -2.960 8.044 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.559 -2.433 8.367 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.923 -4.683 8.149 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.175 -4.193 6.486 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.753 -6.110 6.390 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.722 -4.736 6.044 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -1.390 -5.258 7.772 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.734 -5.117 8.888 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -1.669 -7.326 8.886 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -3.323 -7.394 8.507 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -2.162 -7.552 7.277 1.00 1.54 H new ATOM 591 N TRP A 41 -1.816 -1.415 5.491 1.00 0.18 N ATOM 592 CA TRP A 41 -0.597 -1.607 4.782 1.00 0.19 C ATOM 593 C TRP A 41 0.419 -2.310 5.639 1.00 0.21 C ATOM 594 O TRP A 41 0.419 -2.213 6.870 1.00 0.28 O ATOM 595 CB TRP A 41 -0.044 -0.280 4.337 1.00 0.21 C ATOM 596 CG TRP A 41 -0.786 0.315 3.204 1.00 0.21 C ATOM 597 CD1 TRP A 41 -1.961 0.993 3.272 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.414 0.267 1.828 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.305 1.442 2.017 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.383 0.985 1.116 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.655 -0.303 1.128 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.319 1.154 -0.255 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.711 -0.140 -0.244 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.276 0.585 -0.920 1.00 0.33 C ATOM 0 H TRP A 41 -1.876 -0.525 5.985 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.808 -2.227 3.910 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.062 0.413 5.178 1.00 0.21 H new ATOM 0 HB3 TRP A 41 1.000 -0.407 4.051 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.536 1.155 4.172 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.115 2.021 1.795 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.421 -0.859 1.649 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.073 1.720 -0.782 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.527 -0.578 -0.800 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.209 0.696 -1.992 1.00 0.33 H new ATOM 615 N PHE A 42 1.284 -2.986 4.956 1.00 0.21 N ATOM 616 CA PHE A 42 2.415 -3.632 5.542 1.00 0.23 C ATOM 617 C PHE A 42 3.568 -3.214 4.686 1.00 0.26 C ATOM 618 O PHE A 42 3.447 -3.189 3.470 1.00 0.34 O ATOM 619 CB PHE A 42 2.259 -5.153 5.527 1.00 0.26 C ATOM 620 CG PHE A 42 3.227 -5.881 6.415 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.995 -5.994 7.777 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.375 -6.441 5.886 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.892 -6.657 8.592 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.276 -7.104 6.694 1.00 0.50 C ATOM 625 CZ PHE A 42 4.998 -7.242 8.067 1.00 0.60 C ATOM 0 H PHE A 42 1.222 -3.108 3.945 1.00 0.21 H new ATOM 0 HA PHE A 42 2.545 -3.355 6.588 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.243 -5.406 5.832 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.383 -5.509 4.504 1.00 0.26 H new ATOM 0 HD1 PHE A 42 2.104 -5.559 8.205 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.569 -6.359 4.827 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.712 -6.710 9.655 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.185 -7.513 6.277 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.662 -7.811 8.700 1.00 0.60 H new ATOM 635 N LYS A 43 4.644 -2.831 5.292 1.00 0.28 N ATOM 636 CA LYS A 43 5.767 -2.324 4.548 1.00 0.31 C ATOM 637 C LYS A 43 6.763 -3.470 4.461 1.00 0.39 C ATOM 638 O LYS A 43 6.672 -4.323 5.312 1.00 0.81 O ATOM 639 CB LYS A 43 6.363 -1.079 5.250 1.00 0.40 C ATOM 640 CG LYS A 43 7.632 -0.551 4.603 1.00 0.54 C ATOM 641 CD LYS A 43 7.782 0.951 4.778 1.00 0.67 C ATOM 642 CE LYS A 43 8.665 1.332 5.954 1.00 1.29 C ATOM 643 NZ LYS A 43 8.157 0.816 7.240 1.00 2.17 N ATOM 0 H LYS A 43 4.776 -2.857 6.303 1.00 0.28 H new ATOM 0 HA LYS A 43 5.483 -1.994 3.549 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.615 -0.286 5.258 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.574 -1.328 6.290 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.496 -1.054 5.037 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.624 -0.792 3.540 1.00 0.54 H new ATOM 0 HD2 LYS A 43 8.200 1.376 3.866 1.00 0.67 H new ATOM 0 HD3 LYS A 43 6.796 1.395 4.914 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.672 0.949 5.786 1.00 1.29 H new ATOM 0 HE3 LYS A 43 8.742 2.418 6.008 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 8.806 1.091 8.005 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 7.214 1.214 7.426 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 8.092 -0.221 7.197 1.00 2.17 H new ATOM 657 N GLY A 44 7.746 -3.388 3.537 1.00 0.64 N ATOM 658 CA GLY A 44 8.789 -4.414 3.259 1.00 0.92 C ATOM 659 C GLY A 44 8.935 -5.608 4.221 1.00 0.39 C ATOM 660 O GLY A 44 7.986 -6.096 4.765 1.00 1.23 O ATOM 0 H GLY A 44 7.843 -2.570 2.935 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.600 -4.815 2.263 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.751 -3.903 3.220 1.00 0.92 H new ATOM 664 N LYS A 45 10.047 -6.304 4.107 1.00 0.85 N ATOM 665 CA LYS A 45 10.235 -7.630 4.730 1.00 1.06 C ATOM 666 C LYS A 45 9.754 -7.785 6.194 1.00 0.74 C ATOM 667 O LYS A 45 9.777 -8.902 6.711 1.00 0.82 O ATOM 668 CB LYS A 45 11.723 -7.952 4.707 1.00 1.67 C ATOM 669 CG LYS A 45 12.093 -9.019 3.705 1.00 2.44 C ATOM 670 CD LYS A 45 13.586 -9.301 3.720 1.00 2.82 C ATOM 671 CE LYS A 45 14.083 -9.635 5.122 1.00 2.98 C ATOM 672 NZ LYS A 45 13.546 -10.931 5.623 1.00 3.87 N ATOM 0 H LYS A 45 10.858 -5.979 3.581 1.00 0.85 H new ATOM 0 HA LYS A 45 9.613 -8.306 4.144 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.280 -7.043 4.480 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.032 -8.275 5.701 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.546 -9.935 3.928 1.00 2.44 H new ATOM 0 HG3 LYS A 45 11.791 -8.703 2.707 1.00 2.44 H new ATOM 0 HD2 LYS A 45 13.806 -10.131 3.049 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.124 -8.432 3.340 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.172 -9.674 5.118 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.795 -8.837 5.806 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 13.913 -11.113 6.579 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 12.507 -10.888 5.653 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 13.842 -11.699 4.987 1.00 3.87 H new ATOM 686 N TRP A 46 9.329 -6.718 6.871 1.00 0.58 N ATOM 687 CA TRP A 46 8.932 -6.839 8.272 1.00 0.57 C ATOM 688 C TRP A 46 8.151 -5.648 8.826 1.00 0.63 C ATOM 689 O TRP A 46 7.631 -5.707 9.943 1.00 0.74 O ATOM 690 CB TRP A 46 10.176 -6.983 9.111 1.00 0.76 C ATOM 691 CG TRP A 46 11.273 -6.038 8.727 1.00 0.97 C ATOM 692 CD1 TRP A 46 12.164 -6.191 7.709 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.591 -4.797 9.356 1.00 1.27 C ATOM 694 NE1 TRP A 46 13.003 -5.112 7.648 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.677 -4.239 8.658 1.00 1.42 C ATOM 696 CE3 TRP A 46 11.056 -4.105 10.440 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.236 -3.012 9.013 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.608 -2.893 10.793 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.688 -2.354 10.083 1.00 2.11 C ATOM 0 H TRP A 46 9.252 -5.779 6.481 1.00 0.58 H new ATOM 0 HA TRP A 46 8.271 -7.704 8.317 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.919 -6.821 10.158 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.544 -8.006 9.028 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.203 -7.042 7.045 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.748 -4.978 6.965 1.00 1.38 H new ATOM 0 HE3 TRP A 46 10.223 -4.511 10.994 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 14.069 -2.596 8.466 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 11.201 -2.349 11.632 1.00 2.10 H new ATOM 0 HH2 TRP A 46 13.097 -1.401 10.385 1.00 2.11 H new ATOM 710 N VAL A 47 8.077 -4.583 8.071 1.00 0.63 N ATOM 711 CA VAL A 47 7.710 -3.322 8.582 1.00 0.74 C ATOM 712 C VAL A 47 6.233 -3.041 8.467 1.00 0.59 C ATOM 713 O VAL A 47 5.465 -3.699 7.773 1.00 0.57 O ATOM 714 CB VAL A 47 8.469 -2.179 7.885 1.00 0.90 C ATOM 715 CG1 VAL A 47 9.306 -1.428 8.896 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.339 -2.655 6.723 1.00 1.29 C ATOM 0 H VAL A 47 8.276 -4.585 7.071 1.00 0.63 H new ATOM 0 HA VAL A 47 7.977 -3.363 9.638 1.00 0.74 H new ATOM 0 HB VAL A 47 7.719 -1.515 7.455 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.841 -0.620 8.397 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.658 -1.012 9.668 1.00 1.20 H new ATOM 0 HG13 VAL A 47 10.023 -2.110 9.353 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.847 -1.801 6.275 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.079 -3.366 7.090 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.712 -3.139 5.974 1.00 1.29 H new ATOM 726 N ASP A 48 5.906 -2.011 9.158 1.00 0.60 N ATOM 727 CA ASP A 48 4.632 -1.395 9.191 1.00 0.56 C ATOM 728 C ASP A 48 4.761 -0.070 8.489 1.00 0.58 C ATOM 729 O ASP A 48 5.862 0.437 8.337 1.00 0.96 O ATOM 730 CB ASP A 48 4.226 -1.151 10.638 1.00 0.73 C ATOM 731 CG ASP A 48 5.331 -0.565 11.487 1.00 1.88 C ATOM 732 OD1 ASP A 48 6.257 -1.302 11.883 1.00 2.73 O ATOM 733 OD2 ASP A 48 5.266 0.643 11.771 1.00 2.22 O ATOM 0 H ASP A 48 6.578 -1.540 9.764 1.00 0.60 H new ATOM 0 HA ASP A 48 3.883 -2.025 8.711 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.369 -0.478 10.657 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.901 -2.093 11.079 1.00 0.73 H new ATOM 738 N LEU A 49 3.685 0.444 7.979 1.00 0.39 N ATOM 739 CA LEU A 49 3.674 1.815 7.501 1.00 0.35 C ATOM 740 C LEU A 49 3.076 2.777 8.489 1.00 0.41 C ATOM 741 O LEU A 49 3.605 3.864 8.641 1.00 0.44 O ATOM 742 CB LEU A 49 2.928 1.961 6.178 1.00 0.29 C ATOM 743 CG LEU A 49 3.607 1.399 4.939 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.176 -0.014 4.649 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.264 2.236 3.751 1.00 0.28 C ATOM 0 H LEU A 49 2.800 -0.053 7.878 1.00 0.39 H new ATOM 0 HA LEU A 49 4.725 2.064 7.358 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.957 1.477 6.281 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.740 3.021 6.010 1.00 0.29 H new ATOM 0 HG LEU A 49 4.680 1.408 5.132 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.686 -0.374 3.756 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.431 -0.653 5.495 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.098 -0.040 4.486 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.753 1.829 2.866 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.184 2.232 3.603 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.604 3.258 3.916 1.00 0.28 H new ATOM 757 N SER A 50 2.048 2.361 9.207 1.00 0.48 N ATOM 758 CA SER A 50 1.172 3.284 9.906 1.00 0.58 C ATOM 759 C SER A 50 1.977 4.125 10.867 1.00 0.62 C ATOM 760 O SER A 50 1.570 5.221 11.252 1.00 0.70 O ATOM 761 CB SER A 50 0.070 2.518 10.650 1.00 0.73 C ATOM 762 OG SER A 50 -0.912 3.401 11.167 1.00 1.23 O ATOM 0 H SER A 50 1.798 1.379 9.322 1.00 0.48 H new ATOM 0 HA SER A 50 0.696 3.941 9.178 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.400 1.804 9.974 1.00 0.73 H new ATOM 0 HB3 SER A 50 0.510 1.943 11.465 1.00 0.73 H new ATOM 0 HG SER A 50 -1.602 2.885 11.634 1.00 1.23 H new ATOM 768 N SER A 51 3.143 3.620 11.224 1.00 0.64 N ATOM 769 CA SER A 51 3.945 4.284 12.180 1.00 0.75 C ATOM 770 C SER A 51 5.057 5.118 11.545 1.00 0.72 C ATOM 771 O SER A 51 5.570 6.064 12.138 1.00 0.85 O ATOM 772 CB SER A 51 4.509 3.267 13.151 1.00 0.90 C ATOM 773 OG SER A 51 3.492 2.741 13.991 1.00 1.34 O ATOM 0 H SER A 51 3.537 2.754 10.856 1.00 0.64 H new ATOM 0 HA SER A 51 3.312 4.991 12.716 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.983 2.456 12.598 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.283 3.733 13.761 1.00 0.90 H new ATOM 0 HG SER A 51 3.882 2.086 14.607 1.00 1.34 H new ATOM 779 N LYS A 52 5.389 4.773 10.327 1.00 0.62 N ATOM 780 CA LYS A 52 6.545 5.321 9.642 1.00 0.66 C ATOM 781 C LYS A 52 6.140 6.416 8.673 1.00 0.67 C ATOM 782 O LYS A 52 6.886 7.363 8.439 1.00 1.09 O ATOM 783 CB LYS A 52 7.250 4.210 8.872 1.00 0.65 C ATOM 784 CG LYS A 52 6.924 2.795 9.330 1.00 0.70 C ATOM 785 CD LYS A 52 7.233 2.529 10.801 1.00 0.78 C ATOM 786 CE LYS A 52 8.728 2.405 11.065 1.00 1.02 C ATOM 787 NZ LYS A 52 9.032 2.178 12.503 1.00 1.40 N ATOM 0 H LYS A 52 4.863 4.098 9.773 1.00 0.62 H new ATOM 0 HA LYS A 52 7.214 5.749 10.389 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.992 4.301 7.817 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.326 4.361 8.952 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.866 2.601 9.151 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.485 2.088 8.718 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.825 3.338 11.407 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.734 1.612 11.115 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.131 1.581 10.477 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.230 3.312 10.729 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 10.061 2.100 12.632 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.672 2.976 13.064 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.576 1.299 12.820 1.00 1.40 H new ATOM 801 N VAL A 53 4.987 6.182 8.069 1.00 0.34 N ATOM 802 CA VAL A 53 4.305 7.082 7.164 1.00 0.32 C ATOM 803 C VAL A 53 4.558 8.535 7.511 1.00 0.33 C ATOM 804 O VAL A 53 3.933 9.135 8.387 1.00 0.37 O ATOM 805 CB VAL A 53 2.796 6.754 7.152 1.00 0.32 C ATOM 806 CG1 VAL A 53 1.981 7.758 6.358 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.570 5.384 6.573 1.00 0.35 C ATOM 0 H VAL A 53 4.476 5.310 8.207 1.00 0.34 H new ATOM 0 HA VAL A 53 4.706 6.934 6.161 1.00 0.32 H new ATOM 0 HB VAL A 53 2.462 6.796 8.189 1.00 0.32 H new ATOM 0 HG11 VAL A 53 0.929 7.475 6.386 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.102 8.750 6.793 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.326 7.771 5.324 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.503 5.162 6.569 1.00 0.35 H new ATOM 0 HG22 VAL A 53 2.951 5.353 5.552 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.092 4.643 7.178 1.00 0.35 H new ATOM 817 N GLY A 54 5.552 9.031 6.829 1.00 0.35 N ATOM 818 CA GLY A 54 5.982 10.405 6.961 1.00 0.41 C ATOM 819 C GLY A 54 6.851 10.850 5.794 1.00 0.44 C ATOM 820 O GLY A 54 6.451 10.734 4.640 1.00 0.70 O ATOM 0 H GLY A 54 6.096 8.491 6.157 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.108 11.053 7.028 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.538 10.522 7.891 1.00 0.41 H new ATOM 824 N GLN A 55 8.061 11.306 6.095 1.00 0.36 N ATOM 825 CA GLN A 55 8.912 11.975 5.107 1.00 0.43 C ATOM 826 C GLN A 55 9.347 11.068 3.953 1.00 0.39 C ATOM 827 O GLN A 55 9.280 11.466 2.793 1.00 0.50 O ATOM 828 CB GLN A 55 10.150 12.548 5.790 1.00 0.61 C ATOM 829 CG GLN A 55 9.825 13.498 6.925 1.00 1.43 C ATOM 830 CD GLN A 55 11.065 14.044 7.595 1.00 2.08 C ATOM 831 OE1 GLN A 55 11.585 13.454 8.541 1.00 2.75 O ATOM 832 NE2 GLN A 55 11.533 15.183 7.124 1.00 2.69 N ATOM 0 H GLN A 55 8.481 11.226 7.021 1.00 0.36 H new ATOM 0 HA GLN A 55 8.305 12.769 4.673 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.756 11.728 6.175 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.755 13.071 5.050 1.00 0.61 H new ATOM 0 HG2 GLN A 55 9.228 14.326 6.542 1.00 1.43 H new ATOM 0 HG3 GLN A 55 9.214 12.980 7.665 1.00 1.43 H new ATOM 0 HE21 GLN A 55 11.070 15.638 6.337 1.00 2.69 H new ATOM 0 HE22 GLN A 55 12.358 15.609 7.546 1.00 2.69 H new ATOM 841 N HIS A 56 9.813 9.865 4.265 1.00 0.36 N ATOM 842 CA HIS A 56 10.369 8.978 3.233 1.00 0.41 C ATOM 843 C HIS A 56 9.307 8.052 2.667 1.00 0.35 C ATOM 844 O HIS A 56 9.320 7.715 1.491 1.00 0.42 O ATOM 845 CB HIS A 56 11.538 8.166 3.798 1.00 0.54 C ATOM 846 CG HIS A 56 11.149 7.109 4.784 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.827 5.824 4.413 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.040 7.149 6.133 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.528 5.122 5.486 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.651 5.898 6.548 1.00 1.33 N ATOM 0 H HIS A 56 9.821 9.479 5.209 1.00 0.36 H new ATOM 0 HA HIS A 56 10.735 9.604 2.419 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.068 7.694 2.971 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.239 8.850 4.277 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.224 8.005 6.765 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.231 4.084 5.496 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.485 5.616 7.514 1.00 1.33 H new ATOM 859 N LEU A 57 8.411 7.644 3.528 1.00 0.28 N ATOM 860 CA LEU A 57 7.270 6.839 3.156 1.00 0.25 C ATOM 861 C LEU A 57 6.046 7.635 3.521 1.00 0.23 C ATOM 862 O LEU A 57 5.711 7.733 4.683 1.00 0.29 O ATOM 863 CB LEU A 57 7.322 5.491 3.949 1.00 0.38 C ATOM 864 CG LEU A 57 6.096 4.528 3.993 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.688 4.295 5.428 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.902 5.000 3.183 1.00 1.10 C ATOM 0 H LEU A 57 8.452 7.864 4.523 1.00 0.28 H new ATOM 0 HA LEU A 57 7.260 6.602 2.092 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.160 4.920 3.550 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.568 5.739 4.981 1.00 0.38 H new ATOM 0 HG LEU A 57 6.421 3.598 3.526 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.831 3.622 5.458 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.519 3.849 5.975 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.419 5.246 5.889 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.094 4.273 3.268 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.564 5.964 3.562 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.190 5.102 2.137 1.00 1.10 H new ATOM 878 N GLN A 58 5.390 8.190 2.535 1.00 0.20 N ATOM 879 CA GLN A 58 4.070 8.673 2.707 1.00 0.21 C ATOM 880 C GLN A 58 3.147 7.591 2.236 1.00 0.18 C ATOM 881 O GLN A 58 3.139 7.216 1.067 1.00 0.19 O ATOM 882 CB GLN A 58 3.818 9.933 1.877 1.00 0.27 C ATOM 883 CG GLN A 58 4.817 11.050 2.087 1.00 0.46 C ATOM 884 CD GLN A 58 6.014 10.971 1.166 1.00 0.32 C ATOM 885 OE1 GLN A 58 5.993 11.492 0.049 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.071 10.350 1.636 1.00 0.28 N ATOM 0 H GLN A 58 5.767 8.314 1.595 1.00 0.20 H new ATOM 0 HA GLN A 58 3.908 8.929 3.754 1.00 0.21 H new ATOM 0 HB2 GLN A 58 3.818 9.660 0.822 1.00 0.27 H new ATOM 0 HB3 GLN A 58 2.822 10.309 2.109 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.317 12.007 1.938 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.162 11.028 3.121 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.046 9.933 2.566 1.00 0.28 H new ATOM 0 HE22 GLN A 58 7.918 10.285 1.071 1.00 0.28 H new ATOM 895 N LEU A 59 2.400 7.091 3.154 1.00 0.20 N ATOM 896 CA LEU A 59 1.287 6.243 2.848 1.00 0.20 C ATOM 897 C LEU A 59 0.102 7.177 2.925 1.00 0.21 C ATOM 898 O LEU A 59 -0.485 7.403 3.986 1.00 0.23 O ATOM 899 CB LEU A 59 1.198 5.077 3.864 1.00 0.23 C ATOM 900 CG LEU A 59 0.269 3.903 3.552 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.031 3.158 4.845 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.035 4.356 2.910 1.00 0.23 C ATOM 0 H LEU A 59 2.539 7.256 4.151 1.00 0.20 H new ATOM 0 HA LEU A 59 1.356 5.759 1.874 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.203 4.677 3.998 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.891 5.496 4.822 1.00 0.23 H new ATOM 0 HG LEU A 59 0.736 3.245 2.819 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.630 2.311 4.661 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.982 2.798 5.238 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.431 3.827 5.571 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.662 3.487 2.707 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.559 5.031 3.587 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.820 4.874 1.976 1.00 0.23 H new ATOM 914 N HIS A 60 -0.202 7.751 1.790 1.00 0.22 N ATOM 915 CA HIS A 60 -1.184 8.763 1.680 1.00 0.25 C ATOM 916 C HIS A 60 -2.419 8.176 1.107 1.00 0.24 C ATOM 917 O HIS A 60 -2.423 7.119 0.501 1.00 0.26 O ATOM 918 CB HIS A 60 -0.683 9.925 0.818 1.00 0.37 C ATOM 919 CG HIS A 60 -1.590 11.116 0.767 1.00 0.79 C ATOM 920 ND1 HIS A 60 -2.192 11.548 -0.392 1.00 1.48 N ATOM 921 CD2 HIS A 60 -1.987 11.974 1.738 1.00 1.65 C ATOM 922 CE1 HIS A 60 -2.913 12.621 -0.136 1.00 1.91 C ATOM 923 NE2 HIS A 60 -2.810 12.903 1.150 1.00 2.03 N ATOM 0 H HIS A 60 0.244 7.512 0.904 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.398 9.164 2.671 1.00 0.25 H new ATOM 0 HB2 HIS A 60 0.289 10.244 1.195 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -0.528 9.562 -0.198 1.00 0.37 H new ATOM 0 HD1 HIS A 60 -2.095 11.107 -1.307 1.00 1.48 H new ATOM 0 HD2 HIS A 60 -1.708 11.935 2.781 1.00 1.65 H new ATOM 0 HE1 HIS A 60 -3.492 13.177 -0.858 1.00 1.91 H new ATOM 932 N ASP A 61 -3.441 8.885 1.341 1.00 0.29 N ATOM 933 CA ASP A 61 -4.761 8.514 0.967 1.00 0.32 C ATOM 934 C ASP A 61 -5.438 9.643 0.254 1.00 0.35 C ATOM 935 O ASP A 61 -5.679 10.733 0.782 1.00 0.48 O ATOM 936 CB ASP A 61 -5.583 8.075 2.153 1.00 0.44 C ATOM 937 CG ASP A 61 -5.646 9.095 3.275 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.592 9.388 3.882 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.757 9.594 3.565 1.00 0.92 O ATOM 0 H ASP A 61 -3.393 9.784 1.820 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.680 7.662 0.292 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.597 7.856 1.818 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.169 7.146 2.544 1.00 0.44 H new ATOM 944 N SER A 62 -5.675 9.356 -0.971 1.00 0.29 N ATOM 945 CA SER A 62 -6.476 10.189 -1.829 1.00 0.32 C ATOM 946 C SER A 62 -7.897 9.709 -1.712 1.00 0.32 C ATOM 947 O SER A 62 -8.140 8.517 -1.571 1.00 0.41 O ATOM 948 CB SER A 62 -6.012 10.125 -3.281 1.00 0.40 C ATOM 949 OG SER A 62 -4.632 9.795 -3.368 1.00 0.47 O ATOM 0 H SER A 62 -5.315 8.519 -1.429 1.00 0.29 H new ATOM 0 HA SER A 62 -6.383 11.230 -1.521 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.600 9.383 -3.821 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.190 11.086 -3.765 1.00 0.40 H new ATOM 0 HG SER A 62 -4.499 8.868 -3.080 1.00 0.47 H new ATOM 955 N TYR A 63 -8.828 10.616 -1.749 1.00 0.38 N ATOM 956 CA TYR A 63 -10.192 10.268 -1.487 1.00 0.45 C ATOM 957 C TYR A 63 -11.135 11.001 -2.394 1.00 0.47 C ATOM 958 O TYR A 63 -11.435 12.184 -2.210 1.00 0.54 O ATOM 959 CB TYR A 63 -10.490 10.486 -0.006 1.00 0.64 C ATOM 960 CG TYR A 63 -11.914 10.879 0.354 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.963 9.986 0.154 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.217 12.137 0.861 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.265 10.332 0.458 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.520 12.491 1.166 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.503 11.615 1.064 1.00 1.07 C ATOM 966 OH TYR A 63 -15.837 11.926 1.260 1.00 1.39 O ATOM 0 H TYR A 63 -8.668 11.601 -1.958 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.347 9.212 -1.707 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.245 9.568 0.529 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -9.819 11.261 0.366 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.755 9.005 -0.246 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.422 12.851 1.020 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -15.082 9.658 0.247 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -13.736 13.498 1.492 1.00 1.06 H new ATOM 0 HH TYR A 63 -15.909 12.811 1.675 1.00 1.39 H new ATOM 976 N ASP A 64 -11.542 10.301 -3.423 1.00 0.47 N ATOM 977 CA ASP A 64 -12.597 10.792 -4.273 1.00 0.57 C ATOM 978 C ASP A 64 -13.769 9.850 -4.230 1.00 0.57 C ATOM 979 O ASP A 64 -13.644 8.633 -4.375 1.00 0.63 O ATOM 980 CB ASP A 64 -12.150 11.018 -5.698 1.00 0.71 C ATOM 981 CG ASP A 64 -13.162 11.828 -6.486 1.00 1.53 C ATOM 982 OD1 ASP A 64 -13.116 13.072 -6.423 1.00 2.00 O ATOM 983 OD2 ASP A 64 -14.002 11.224 -7.183 1.00 2.42 O ATOM 0 H ASP A 64 -11.161 9.394 -3.691 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.894 11.767 -3.885 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.190 11.535 -5.700 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.995 10.056 -6.187 1.00 0.71 H new ATOM 988 N ARG A 65 -14.896 10.426 -4.001 1.00 0.60 N ATOM 989 CA ARG A 65 -16.128 9.699 -3.867 1.00 0.64 C ATOM 990 C ARG A 65 -16.837 9.499 -5.198 1.00 0.74 C ATOM 991 O ARG A 65 -17.419 8.441 -5.440 1.00 0.88 O ATOM 992 CB ARG A 65 -17.026 10.444 -2.902 1.00 0.74 C ATOM 993 CG ARG A 65 -17.669 9.523 -1.922 1.00 0.86 C ATOM 994 CD ARG A 65 -18.691 8.637 -2.610 1.00 1.00 C ATOM 995 NE ARG A 65 -19.914 9.369 -2.929 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.783 9.015 -3.878 1.00 1.80 C ATOM 997 NH1 ARG A 65 -20.508 8.022 -4.716 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.905 9.694 -4.028 1.00 2.07 N ATOM 0 H ARG A 65 -14.999 11.436 -3.898 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.896 8.704 -3.487 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.443 11.194 -2.368 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.796 10.977 -3.460 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.909 8.906 -1.443 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -18.153 10.101 -1.135 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -18.262 8.230 -3.525 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.931 7.791 -1.966 1.00 1.00 H new ATOM 0 HE ARG A 65 -20.118 10.210 -2.389 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -19.624 7.520 -4.639 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -21.181 7.762 -5.437 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -22.106 10.487 -3.419 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.571 9.425 -4.753 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.796 10.515 -6.031 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.429 10.474 -7.349 1.00 0.93 C ATOM 1014 C ALA A 66 -16.825 9.385 -8.219 1.00 0.83 C ATOM 1015 O ALA A 66 -17.529 8.703 -8.961 1.00 0.92 O ATOM 1016 CB ALA A 66 -17.339 11.830 -8.037 1.00 1.15 C ATOM 0 H ALA A 66 -16.326 11.396 -5.823 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.483 10.235 -7.203 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -17.817 11.774 -9.015 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.844 12.581 -7.429 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -16.292 12.107 -8.160 1.00 1.15 H new ATOM 1022 N SER A 67 -15.528 9.196 -8.087 1.00 0.72 N ATOM 1023 CA SER A 67 -14.835 8.153 -8.815 1.00 0.72 C ATOM 1024 C SER A 67 -14.820 6.930 -7.938 1.00 0.58 C ATOM 1025 O SER A 67 -14.590 5.807 -8.393 1.00 0.63 O ATOM 1026 CB SER A 67 -13.414 8.592 -9.177 1.00 0.83 C ATOM 1027 OG SER A 67 -12.723 9.052 -8.032 1.00 1.41 O ATOM 0 H SER A 67 -14.930 9.755 -7.479 1.00 0.72 H new ATOM 0 HA SER A 67 -15.344 7.938 -9.755 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.873 7.757 -9.623 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.453 9.383 -9.926 1.00 0.83 H new ATOM 0 HG SER A 67 -12.930 9.998 -7.883 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.079 7.191 -6.656 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.282 6.157 -5.672 1.00 0.50 C ATOM 1035 C LYS A 68 -13.978 5.434 -5.415 1.00 0.44 C ATOM 1036 O LYS A 68 -13.960 4.263 -5.056 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.352 5.191 -6.156 1.00 0.70 C ATOM 1038 CG LYS A 68 -16.955 4.332 -5.062 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.059 5.056 -4.299 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.634 5.495 -2.894 1.00 2.27 C ATOM 1041 NZ LYS A 68 -16.406 6.333 -2.884 1.00 3.31 N ATOM 0 H LYS A 68 -15.152 8.137 -6.281 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.619 6.603 -4.736 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.148 5.760 -6.636 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.921 4.541 -6.917 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.358 3.419 -5.501 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.172 4.032 -4.366 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.370 5.932 -4.868 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.927 4.402 -4.221 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -18.449 6.053 -2.433 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.466 4.610 -2.280 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -16.202 6.638 -1.911 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -15.605 5.779 -3.249 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -16.551 7.169 -3.485 1.00 3.31 H new ATOM 1055 N VAL A 69 -12.887 6.160 -5.549 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.585 5.579 -5.352 1.00 0.31 C ATOM 1057 C VAL A 69 -10.843 6.332 -4.287 1.00 0.29 C ATOM 1058 O VAL A 69 -10.663 7.551 -4.349 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.703 5.577 -6.606 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.576 4.569 -6.448 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.511 5.289 -7.857 1.00 0.43 C ATOM 0 H VAL A 69 -12.881 7.150 -5.793 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.774 4.543 -5.071 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.274 6.573 -6.720 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -8.955 4.575 -7.344 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -8.968 4.835 -5.583 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -9.996 3.573 -6.304 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -10.852 5.296 -8.725 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -11.984 4.311 -7.768 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.279 6.053 -7.978 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.439 5.593 -3.308 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.550 6.086 -2.301 1.00 0.25 C ATOM 1073 C TYR A 70 -8.195 5.514 -2.593 1.00 0.22 C ATOM 1074 O TYR A 70 -7.940 4.322 -2.405 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.988 5.698 -0.903 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.463 5.955 -0.638 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.176 6.902 -1.357 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -12.137 5.253 0.355 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.517 7.139 -1.092 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -13.462 5.489 0.631 1.00 1.24 C ATOM 1081 CZ TYR A 70 -14.176 6.423 -0.212 1.00 0.76 C ATOM 1082 OH TYR A 70 -15.475 6.671 0.221 1.00 0.93 O ATOM 0 H TYR A 70 -10.717 4.620 -3.180 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.543 7.176 -2.328 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.777 4.640 -0.745 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -9.394 6.253 -0.177 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.680 7.464 -2.135 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -11.606 4.504 0.923 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.029 7.929 -1.621 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.956 4.992 1.453 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.736 5.992 0.878 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.354 6.358 -3.091 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.036 5.952 -3.492 1.00 0.19 C ATOM 1094 C LEU A 71 -5.094 6.102 -2.339 1.00 0.20 C ATOM 1095 O LEU A 71 -4.691 7.201 -1.968 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.476 6.738 -4.683 1.00 0.25 C ATOM 1097 CG LEU A 71 -3.967 6.512 -4.901 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.672 5.060 -5.248 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.405 7.433 -5.965 1.00 0.52 C ATOM 0 H LEU A 71 -7.554 7.348 -3.234 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.125 4.913 -3.808 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.015 6.450 -5.586 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.659 7.801 -4.528 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.472 6.750 -3.959 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.600 4.932 -5.396 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.005 4.416 -4.434 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.199 4.790 -6.163 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.339 7.240 -6.087 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -3.917 7.252 -6.910 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -3.554 8.470 -5.664 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.737 4.990 -1.808 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.690 4.925 -0.855 1.00 0.21 C ATOM 1113 C PHE A 72 -2.422 4.761 -1.633 1.00 0.23 C ATOM 1114 O PHE A 72 -2.176 3.750 -2.276 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.899 3.764 0.078 1.00 0.25 C ATOM 1116 CG PHE A 72 -5.073 3.924 0.996 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -6.352 3.621 0.562 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.897 4.383 2.288 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.438 3.776 1.403 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.976 4.538 3.136 1.00 0.33 C ATOM 1121 CZ PHE A 72 -7.249 4.235 2.694 1.00 0.30 C ATOM 0 H PHE A 72 -5.167 4.091 -2.024 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.657 5.824 -0.240 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -4.033 2.857 -0.511 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.999 3.625 0.677 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.503 3.260 -0.444 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.904 4.623 2.638 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -8.432 3.539 1.053 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.825 4.896 4.144 1.00 0.33 H new ATOM 0 HZ PHE A 72 -8.095 4.356 3.355 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.650 5.775 -1.572 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.475 5.897 -2.384 1.00 0.26 C ATOM 1133 C GLU A 73 0.738 5.967 -1.523 1.00 0.20 C ATOM 1134 O GLU A 73 0.841 6.798 -0.623 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.541 7.133 -3.269 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.083 8.360 -2.541 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.928 9.648 -3.318 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.266 9.643 -4.382 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -1.451 10.683 -2.848 1.00 1.32 O ATOM 0 H GLU A 73 -1.808 6.567 -0.948 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.420 5.017 -3.024 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.456 7.354 -3.649 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.172 6.922 -4.132 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.139 8.204 -2.322 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -0.570 8.460 -1.584 1.00 0.59 H new ATOM 1146 N LEU A 74 1.641 5.084 -1.797 1.00 0.21 N ATOM 1147 CA LEU A 74 2.897 5.097 -1.137 1.00 0.21 C ATOM 1148 C LEU A 74 3.828 5.938 -1.915 1.00 0.20 C ATOM 1149 O LEU A 74 4.066 5.722 -3.106 1.00 0.25 O ATOM 1150 CB LEU A 74 3.539 3.737 -1.029 1.00 0.27 C ATOM 1151 CG LEU A 74 2.716 2.663 -0.351 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.609 1.810 0.498 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.581 3.250 0.474 1.00 0.96 C ATOM 0 H LEU A 74 1.526 4.337 -2.482 1.00 0.21 H new ATOM 0 HA LEU A 74 2.710 5.470 -0.130 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.788 3.395 -2.033 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.478 3.843 -0.486 1.00 0.27 H new ATOM 0 HG LEU A 74 2.256 2.047 -1.124 1.00 0.27 H new ATOM 0 HD11 LEU A 74 3.016 1.036 0.986 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.369 1.343 -0.128 1.00 0.85 H new ATOM 0 HD13 LEU A 74 4.092 2.429 1.254 1.00 0.85 H new ATOM 0 HD21 LEU A 74 1.017 2.444 0.942 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.991 3.902 1.245 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.920 3.826 -0.174 1.00 0.96 H new ATOM 1165 N HIS A 75 4.359 6.869 -1.240 1.00 0.18 N ATOM 1166 CA HIS A 75 5.484 7.566 -1.758 1.00 0.19 C ATOM 1167 C HIS A 75 6.601 7.172 -0.856 1.00 0.19 C ATOM 1168 O HIS A 75 6.764 7.726 0.227 1.00 0.19 O ATOM 1169 CB HIS A 75 5.284 9.086 -1.755 1.00 0.23 C ATOM 1170 CG HIS A 75 4.107 9.574 -2.558 1.00 0.39 C ATOM 1171 ND1 HIS A 75 3.669 10.878 -2.514 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.270 8.930 -3.415 1.00 1.15 C ATOM 1173 CE1 HIS A 75 2.624 11.017 -3.305 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.355 9.852 -3.864 1.00 0.94 N ATOM 0 H HIS A 75 4.041 7.178 -0.321 1.00 0.18 H new ATOM 0 HA HIS A 75 5.668 7.312 -2.802 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.165 9.420 -0.724 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.188 9.557 -2.140 1.00 0.23 H new ATOM 0 HD2 HIS A 75 3.316 7.887 -3.692 1.00 1.15 H new ATOM 0 HE1 HIS A 75 2.077 11.934 -3.469 1.00 0.88 H new ATOM 0 HE2 HIS A 75 1.596 9.667 -4.519 1.00 0.94 H new ATOM 1183 N ILE A 76 7.351 6.186 -1.280 1.00 0.21 N ATOM 1184 CA ILE A 76 8.413 5.691 -0.461 1.00 0.23 C ATOM 1185 C ILE A 76 9.697 5.802 -1.220 1.00 0.25 C ATOM 1186 O ILE A 76 10.041 5.003 -2.071 1.00 0.28 O ATOM 1187 CB ILE A 76 8.194 4.243 -0.013 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.820 4.067 0.649 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.311 3.816 0.948 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.669 2.725 1.322 1.00 0.52 C ATOM 0 H ILE A 76 7.243 5.718 -2.180 1.00 0.21 H new ATOM 0 HA ILE A 76 8.445 6.295 0.446 1.00 0.23 H new ATOM 0 HB ILE A 76 8.222 3.605 -0.896 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.671 4.857 1.385 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.040 4.182 -0.104 1.00 0.29 H new ATOM 0 HG21 ILE A 76 9.147 2.785 1.261 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.274 3.893 0.444 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.307 4.466 1.823 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.680 2.654 1.774 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.789 1.932 0.584 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.429 2.618 2.096 1.00 0.52 H new ATOM 1202 N THR A 77 10.398 6.805 -0.883 1.00 0.24 N ATOM 1203 CA THR A 77 11.549 7.175 -1.573 1.00 0.26 C ATOM 1204 C THR A 77 12.736 6.961 -0.700 1.00 0.36 C ATOM 1205 O THR A 77 12.642 6.869 0.529 1.00 0.58 O ATOM 1206 CB THR A 77 11.475 8.636 -2.022 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.471 9.506 -0.880 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.209 8.865 -2.826 1.00 0.37 C ATOM 0 H THR A 77 10.175 7.409 -0.092 1.00 0.24 H new ATOM 0 HA THR A 77 11.637 6.557 -2.467 1.00 0.26 H new ATOM 0 HB THR A 77 12.346 8.854 -2.639 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.425 10.438 -1.179 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.162 9.907 -3.143 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.214 8.219 -3.704 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.340 8.634 -2.210 1.00 0.37 H new ATOM 1216 N ASP A 78 13.817 6.824 -1.385 1.00 0.30 N ATOM 1217 CA ASP A 78 15.140 6.682 -0.788 1.00 0.45 C ATOM 1218 C ASP A 78 15.189 5.391 -0.021 1.00 0.45 C ATOM 1219 O ASP A 78 15.716 5.290 1.089 1.00 0.70 O ATOM 1220 CB ASP A 78 15.380 7.851 0.114 1.00 0.61 C ATOM 1221 CG ASP A 78 16.817 7.997 0.576 1.00 1.44 C ATOM 1222 OD1 ASP A 78 17.693 8.251 -0.274 1.00 1.97 O ATOM 1223 OD2 ASP A 78 17.080 7.832 1.787 1.00 2.12 O ATOM 0 H ASP A 78 13.828 6.805 -2.405 1.00 0.30 H new ATOM 0 HA ASP A 78 15.916 6.661 -1.553 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.083 8.762 -0.405 1.00 0.61 H new ATOM 0 HB3 ASP A 78 14.737 7.758 0.989 1.00 0.61 H new ATOM 1228 N ALA A 79 14.571 4.429 -0.645 1.00 0.37 N ATOM 1229 CA ALA A 79 14.478 3.075 -0.136 1.00 0.34 C ATOM 1230 C ALA A 79 15.817 2.620 0.398 1.00 0.38 C ATOM 1231 O ALA A 79 16.813 2.604 -0.319 1.00 0.40 O ATOM 1232 CB ALA A 79 13.991 2.124 -1.215 1.00 0.34 C ATOM 0 H ALA A 79 14.105 4.559 -1.543 1.00 0.37 H new ATOM 0 HA ALA A 79 13.754 3.067 0.679 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.929 1.114 -0.809 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.005 2.438 -1.559 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.688 2.136 -2.053 1.00 0.34 H new ATOM 1238 N GLN A 80 15.828 2.276 1.662 1.00 0.47 N ATOM 1239 CA GLN A 80 17.045 1.865 2.318 1.00 0.55 C ATOM 1240 C GLN A 80 17.216 0.372 2.114 1.00 0.43 C ATOM 1241 O GLN A 80 16.232 -0.317 1.880 1.00 0.43 O ATOM 1242 CB GLN A 80 16.981 2.228 3.797 1.00 0.74 C ATOM 1243 CG GLN A 80 15.824 1.599 4.535 1.00 0.78 C ATOM 1244 CD GLN A 80 14.717 2.597 4.792 1.00 1.06 C ATOM 1245 OE1 GLN A 80 14.000 2.504 5.784 1.00 1.37 O ATOM 1246 NE2 GLN A 80 14.561 3.559 3.891 1.00 1.43 N ATOM 0 H GLN A 80 15.002 2.273 2.261 1.00 0.47 H new ATOM 0 HA GLN A 80 17.907 2.379 1.893 1.00 0.55 H new ATOM 0 HB2 GLN A 80 17.912 1.924 4.276 1.00 0.74 H new ATOM 0 HB3 GLN A 80 16.913 3.312 3.892 1.00 0.74 H new ATOM 0 HG2 GLN A 80 15.433 0.763 3.955 1.00 0.78 H new ATOM 0 HG3 GLN A 80 16.175 1.192 5.483 1.00 0.78 H new ATOM 0 HE21 GLN A 80 15.177 3.603 3.080 1.00 1.43 H new ATOM 0 HE22 GLN A 80 13.825 4.255 4.010 1.00 1.43 H new ATOM 1255 N PRO A 81 18.441 -0.167 2.198 1.00 0.42 N ATOM 1256 CA PRO A 81 18.690 -1.554 1.803 1.00 0.44 C ATOM 1257 C PRO A 81 18.054 -2.571 2.749 1.00 0.54 C ATOM 1258 O PRO A 81 18.106 -3.777 2.515 1.00 1.33 O ATOM 1259 CB PRO A 81 20.215 -1.670 1.825 1.00 0.50 C ATOM 1260 CG PRO A 81 20.660 -0.619 2.784 1.00 0.57 C ATOM 1261 CD PRO A 81 19.668 0.505 2.667 1.00 0.49 C ATOM 0 HA PRO A 81 18.249 -1.776 0.831 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.532 -2.661 2.149 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.639 -1.507 0.834 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.689 -1.008 3.802 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.667 -0.276 2.545 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.512 1.004 3.623 1.00 0.49 H new ATOM 0 HD3 PRO A 81 20.004 1.265 1.962 1.00 0.49 H new ATOM 1269 N ALA A 82 17.442 -2.075 3.810 1.00 0.81 N ATOM 1270 CA ALA A 82 16.707 -2.925 4.727 1.00 0.88 C ATOM 1271 C ALA A 82 15.234 -2.972 4.336 1.00 0.77 C ATOM 1272 O ALA A 82 14.407 -3.538 5.055 1.00 0.91 O ATOM 1273 CB ALA A 82 16.869 -2.425 6.157 1.00 1.12 C ATOM 0 H ALA A 82 17.440 -1.085 4.057 1.00 0.81 H new ATOM 0 HA ALA A 82 17.111 -3.936 4.670 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.312 -3.073 6.834 1.00 1.12 H new ATOM 0 HB2 ALA A 82 17.924 -2.437 6.429 1.00 1.12 H new ATOM 0 HB3 ALA A 82 16.487 -1.407 6.232 1.00 1.12 H new ATOM 1279 N PHE A 83 14.914 -2.389 3.185 1.00 0.64 N ATOM 1280 CA PHE A 83 13.547 -2.295 2.737 1.00 0.68 C ATOM 1281 C PHE A 83 13.186 -3.465 1.848 1.00 0.76 C ATOM 1282 O PHE A 83 12.002 -3.744 1.668 1.00 1.24 O ATOM 1283 CB PHE A 83 13.342 -0.991 1.969 1.00 0.74 C ATOM 1284 CG PHE A 83 12.650 0.126 2.702 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.160 -0.012 4.000 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.477 1.340 2.059 1.00 0.75 C ATOM 1287 CE1 PHE A 83 11.520 1.039 4.622 1.00 0.90 C ATOM 1288 CE2 PHE A 83 11.839 2.389 2.681 1.00 0.83 C ATOM 1289 CZ PHE A 83 11.357 2.239 3.961 1.00 0.88 C ATOM 0 H PHE A 83 15.595 -1.975 2.548 1.00 0.64 H new ATOM 0 HA PHE A 83 12.900 -2.312 3.614 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.318 -0.631 1.644 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.769 -1.213 1.069 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.283 -0.949 4.522 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.849 1.466 1.053 1.00 0.75 H new ATOM 0 HE1 PHE A 83 11.146 0.923 5.628 1.00 0.90 H new ATOM 0 HE2 PHE A 83 11.717 3.330 2.165 1.00 0.83 H new ATOM 0 HZ PHE A 83 10.852 3.060 4.448 1.00 0.88 H new ATOM 1299 N THR A 84 14.208 -4.122 1.279 1.00 0.55 N ATOM 1300 CA THR A 84 14.014 -5.271 0.442 1.00 0.58 C ATOM 1301 C THR A 84 13.113 -6.208 1.134 1.00 0.80 C ATOM 1302 O THR A 84 13.468 -6.869 2.101 1.00 1.22 O ATOM 1303 CB THR A 84 15.281 -6.050 0.082 1.00 0.97 C ATOM 1304 OG1 THR A 84 16.144 -5.268 -0.748 1.00 1.10 O ATOM 1305 CG2 THR A 84 14.880 -7.323 -0.649 1.00 1.17 C ATOM 0 H THR A 84 15.185 -3.856 1.399 1.00 0.55 H new ATOM 0 HA THR A 84 13.613 -4.878 -0.492 1.00 0.58 H new ATOM 0 HB THR A 84 15.822 -6.293 0.997 1.00 0.97 H new ATOM 0 HG1 THR A 84 16.948 -5.786 -0.964 1.00 1.10 H new ATOM 0 HG21 THR A 84 15.774 -7.889 -0.912 1.00 1.17 H new ATOM 0 HG22 THR A 84 14.244 -7.929 -0.003 1.00 1.17 H new ATOM 0 HG23 THR A 84 14.334 -7.065 -1.556 1.00 1.17 H new ATOM 1313 N GLY A 85 11.937 -6.178 0.668 1.00 0.87 N ATOM 1314 CA GLY A 85 10.944 -7.054 1.201 1.00 1.43 C ATOM 1315 C GLY A 85 9.661 -6.986 0.468 1.00 0.96 C ATOM 1316 O GLY A 85 9.631 -7.026 -0.752 1.00 1.29 O ATOM 0 H GLY A 85 11.620 -5.563 -0.081 1.00 0.87 H new ATOM 0 HA2 GLY A 85 11.318 -8.078 1.174 1.00 1.43 H new ATOM 0 HA3 GLY A 85 10.772 -6.805 2.248 1.00 1.43 H new ATOM 1320 N GLY A 86 8.605 -6.839 1.219 1.00 0.52 N ATOM 1321 CA GLY A 86 7.305 -6.914 0.649 1.00 0.52 C ATOM 1322 C GLY A 86 6.296 -6.133 1.437 1.00 0.40 C ATOM 1323 O GLY A 86 6.069 -6.370 2.619 1.00 0.43 O ATOM 0 H GLY A 86 8.627 -6.667 2.224 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.336 -6.537 -0.373 1.00 0.52 H new ATOM 0 HA3 GLY A 86 6.993 -7.957 0.595 1.00 0.52 H new ATOM 1327 N TYR A 87 5.754 -5.167 0.762 1.00 0.34 N ATOM 1328 CA TYR A 87 4.697 -4.327 1.258 1.00 0.28 C ATOM 1329 C TYR A 87 3.378 -5.031 0.941 1.00 0.30 C ATOM 1330 O TYR A 87 3.140 -5.388 -0.212 1.00 0.39 O ATOM 1331 CB TYR A 87 4.777 -2.977 0.542 1.00 0.35 C ATOM 1332 CG TYR A 87 6.106 -2.254 0.700 1.00 0.39 C ATOM 1333 CD1 TYR A 87 7.272 -2.846 0.252 1.00 0.42 C ATOM 1334 CD2 TYR A 87 6.208 -0.992 1.301 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.488 -2.217 0.390 1.00 0.49 C ATOM 1336 CE2 TYR A 87 7.425 -0.362 1.438 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.508 -0.884 0.996 1.00 0.54 C ATOM 1338 OH TYR A 87 9.779 -0.357 1.107 1.00 0.63 O ATOM 0 H TYR A 87 6.044 -4.929 -0.187 1.00 0.34 H new ATOM 0 HA TYR A 87 4.777 -4.156 2.332 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.587 -3.132 -0.520 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.981 -2.334 0.918 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.228 -3.819 -0.214 1.00 0.42 H new ATOM 0 HD2 TYR A 87 5.315 -0.504 1.664 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.400 -2.692 0.061 1.00 0.49 H new ATOM 0 HE2 TYR A 87 7.467 0.598 1.931 1.00 0.54 H new ATOM 0 HH TYR A 87 10.195 -0.678 1.934 1.00 0.63 H new ATOM 1348 N ARG A 88 2.540 -5.280 1.938 1.00 0.33 N ATOM 1349 CA ARG A 88 1.318 -6.031 1.703 1.00 0.36 C ATOM 1350 C ARG A 88 0.089 -5.243 2.110 1.00 0.36 C ATOM 1351 O ARG A 88 -0.032 -4.800 3.248 1.00 0.60 O ATOM 1352 CB ARG A 88 1.336 -7.372 2.439 1.00 0.42 C ATOM 1353 CG ARG A 88 2.198 -8.434 1.769 1.00 1.09 C ATOM 1354 CD ARG A 88 1.769 -9.830 2.198 1.00 1.23 C ATOM 1355 NE ARG A 88 0.347 -10.047 1.935 1.00 1.73 N ATOM 1356 CZ ARG A 88 -0.353 -11.092 2.380 1.00 2.17 C ATOM 1357 NH1 ARG A 88 0.256 -12.085 3.017 1.00 2.11 N ATOM 1358 NH2 ARG A 88 -1.658 -11.153 2.148 1.00 3.15 N ATOM 0 H ARG A 88 2.681 -4.978 2.902 1.00 0.33 H new ATOM 0 HA ARG A 88 1.269 -6.219 0.631 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.698 -7.213 3.455 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.315 -7.745 2.519 1.00 0.42 H new ATOM 0 HG2 ARG A 88 2.120 -8.342 0.686 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.245 -8.275 2.028 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.359 -10.575 1.664 1.00 1.23 H new ATOM 0 HD3 ARG A 88 1.970 -9.965 3.261 1.00 1.23 H new ATOM 0 HE ARG A 88 -0.143 -9.352 1.373 1.00 1.73 H new ATOM 0 HH11 ARG A 88 1.264 -12.051 3.168 1.00 2.11 H new ATOM 0 HH12 ARG A 88 -0.284 -12.881 3.355 1.00 2.11 H new ATOM 0 HH21 ARG A 88 -2.120 -10.404 1.632 1.00 3.15 H new ATOM 0 HH22 ARG A 88 -2.199 -11.949 2.485 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.828 -5.078 1.176 1.00 0.26 N ATOM 1373 CA CYS A 89 -2.078 -4.411 1.471 1.00 0.27 C ATOM 1374 C CYS A 89 -3.148 -5.433 1.760 1.00 0.25 C ATOM 1375 O CYS A 89 -3.313 -6.394 1.014 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.546 -3.554 0.305 1.00 0.39 C ATOM 1377 SG CYS A 89 -1.229 -2.654 -0.524 1.00 1.08 S ATOM 0 H CYS A 89 -0.730 -5.395 0.212 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.907 -3.771 2.337 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -3.048 -4.192 -0.422 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -3.286 -2.841 0.667 1.00 0.39 H new ATOM 0 HG CYS A 89 -0.881 -1.631 0.199 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.854 -5.237 2.842 1.00 0.26 N ATOM 1384 CA GLU A 90 -5.028 -6.026 3.129 1.00 0.28 C ATOM 1385 C GLU A 90 -6.157 -5.092 3.523 1.00 0.26 C ATOM 1386 O GLU A 90 -6.164 -4.559 4.631 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.758 -7.013 4.265 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.689 -8.050 3.957 1.00 1.19 C ATOM 1389 CD GLU A 90 -3.441 -8.993 5.118 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -2.690 -8.619 6.049 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -3.991 -10.114 5.105 1.00 1.43 O ATOM 0 H GLU A 90 -3.636 -4.532 3.546 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.300 -6.597 2.241 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.460 -6.454 5.152 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.687 -7.528 4.510 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -3.989 -8.627 3.082 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.759 -7.543 3.700 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.088 -4.858 2.618 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.207 -3.997 2.937 1.00 0.22 C ATOM 1400 C VAL A 91 -9.367 -4.820 3.441 1.00 0.22 C ATOM 1401 O VAL A 91 -9.669 -5.894 2.921 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.649 -3.108 1.751 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.918 -3.947 0.510 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -9.875 -2.274 2.123 1.00 0.51 C ATOM 0 H VAL A 91 -7.092 -5.244 1.674 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.869 -3.319 3.721 1.00 0.22 H new ATOM 0 HB VAL A 91 -7.832 -2.424 1.521 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.227 -3.297 -0.309 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -8.010 -4.480 0.227 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.710 -4.666 0.721 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.167 -1.657 1.273 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.698 -2.936 2.390 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.635 -1.633 2.971 1.00 0.51 H new ATOM 1414 N SER A 92 -9.999 -4.305 4.464 1.00 0.22 N ATOM 1415 CA SER A 92 -11.087 -4.988 5.110 1.00 0.25 C ATOM 1416 C SER A 92 -12.232 -4.019 5.296 1.00 0.26 C ATOM 1417 O SER A 92 -12.164 -3.091 6.104 1.00 0.30 O ATOM 1418 CB SER A 92 -10.629 -5.557 6.455 1.00 0.32 C ATOM 1419 OG SER A 92 -9.480 -6.374 6.285 1.00 1.18 O ATOM 0 H SER A 92 -9.772 -3.398 4.872 1.00 0.22 H new ATOM 0 HA SER A 92 -11.421 -5.821 4.492 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.404 -4.742 7.143 1.00 0.32 H new ATOM 0 HB3 SER A 92 -11.434 -6.140 6.903 1.00 0.32 H new ATOM 0 HG SER A 92 -9.691 -7.113 5.677 1.00 1.18 H new ATOM 1425 N THR A 93 -13.260 -4.221 4.513 1.00 0.28 N ATOM 1426 CA THR A 93 -14.429 -3.384 4.557 1.00 0.35 C ATOM 1427 C THR A 93 -15.642 -4.263 4.606 1.00 0.39 C ATOM 1428 O THR A 93 -15.537 -5.396 4.173 1.00 0.59 O ATOM 1429 CB THR A 93 -14.508 -2.510 3.317 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.187 -2.200 2.875 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.251 -1.230 3.608 1.00 0.57 C ATOM 0 H THR A 93 -13.309 -4.973 3.825 1.00 0.28 H new ATOM 0 HA THR A 93 -14.376 -2.743 5.437 1.00 0.35 H new ATOM 0 HB THR A 93 -15.046 -3.054 2.541 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.609 -2.051 3.652 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.294 -0.621 2.705 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.264 -1.464 3.937 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.733 -0.679 4.393 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.765 -3.716 5.099 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.059 -4.422 5.222 1.00 0.43 C ATOM 1441 C LYS A 94 -17.947 -5.949 5.206 1.00 0.42 C ATOM 1442 O LYS A 94 -18.043 -6.606 6.240 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.066 -3.947 4.151 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.473 -3.392 2.846 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.036 -4.455 1.848 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.102 -5.516 1.594 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.456 -4.957 1.359 1.00 0.65 N ATOM 0 H LYS A 94 -16.804 -2.752 5.431 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.431 -4.155 6.211 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.717 -4.785 3.900 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.696 -3.176 4.594 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.213 -2.748 2.371 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.615 -2.766 3.089 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.779 -3.974 0.904 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.131 -4.939 2.216 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.810 -6.112 0.730 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.141 -6.191 2.449 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.174 -5.648 1.658 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.570 -4.080 1.907 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.575 -4.750 0.347 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.722 -6.478 4.021 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.636 -7.894 3.781 1.00 0.40 C ATOM 1463 C ASP A 95 -16.636 -8.174 2.664 1.00 0.37 C ATOM 1464 O ASP A 95 -16.351 -9.324 2.353 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.006 -8.413 3.379 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.275 -9.831 3.843 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.767 -10.010 4.977 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -18.975 -10.771 3.085 1.00 1.05 O ATOM 0 H ASP A 95 -17.591 -5.916 3.180 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.301 -8.396 4.689 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.771 -7.754 3.790 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.098 -8.371 2.294 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.088 -7.113 2.069 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.213 -7.265 0.944 1.00 0.29 C ATOM 1475 C LYS A 96 -13.795 -7.247 1.408 1.00 0.27 C ATOM 1476 O LYS A 96 -13.384 -6.409 2.215 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.391 -6.197 -0.142 1.00 0.30 C ATOM 1478 CG LYS A 96 -16.298 -6.613 -1.269 1.00 0.56 C ATOM 1479 CD LYS A 96 -15.558 -7.471 -2.267 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.247 -6.830 -2.663 1.00 1.00 C ATOM 1481 NZ LYS A 96 -13.739 -7.370 -3.933 1.00 1.29 N ATOM 0 H LYS A 96 -16.245 -6.148 2.359 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.475 -8.220 0.489 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -15.789 -5.291 0.316 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.413 -5.944 -0.551 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -17.150 -7.164 -0.871 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.695 -5.728 -1.767 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -15.371 -8.455 -1.838 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -16.176 -7.621 -3.152 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.382 -5.752 -2.754 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -13.510 -6.994 -1.877 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -12.772 -7.023 -4.096 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -13.731 -8.409 -3.890 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -14.354 -7.061 -4.713 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.076 -8.184 0.897 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.694 -8.350 1.222 1.00 0.29 C ATOM 1497 C PHE A 97 -10.863 -8.490 -0.024 1.00 0.32 C ATOM 1498 O PHE A 97 -11.174 -9.267 -0.921 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.523 -9.567 2.099 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.177 -9.643 2.774 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.975 -9.063 4.017 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.113 -10.292 2.161 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.739 -9.126 4.635 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -7.878 -10.358 2.774 1.00 0.77 C ATOM 1505 CZ PHE A 97 -7.690 -9.777 4.010 1.00 0.74 C ATOM 0 H PHE A 97 -13.432 -8.869 0.231 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.353 -7.465 1.759 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.302 -9.567 2.861 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.668 -10.463 1.495 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.792 -8.556 4.509 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.254 -10.750 1.193 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.593 -8.668 5.602 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.059 -10.865 2.285 1.00 0.77 H new ATOM 0 HZ PHE A 97 -6.724 -9.830 4.490 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.812 -7.728 -0.057 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.857 -7.780 -1.145 1.00 0.43 C ATOM 1517 C ASP A 98 -7.472 -7.535 -0.587 1.00 0.36 C ATOM 1518 O ASP A 98 -7.288 -6.710 0.312 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.173 -6.757 -2.247 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.329 -7.163 -3.157 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -10.272 -8.261 -3.743 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.285 -6.366 -3.325 1.00 1.60 O ATOM 0 H ASP A 98 -9.583 -7.047 0.668 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.915 -8.767 -1.605 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.408 -5.799 -1.783 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.281 -6.606 -2.855 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.504 -8.255 -1.100 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.158 -8.161 -0.583 1.00 0.30 C ATOM 1529 C CYS A 99 -4.144 -8.153 -1.703 1.00 0.32 C ATOM 1530 O CYS A 99 -4.398 -8.657 -2.800 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.870 -9.317 0.372 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.077 -10.952 -0.372 1.00 1.19 S ATOM 0 H CYS A 99 -6.621 -8.911 -1.872 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.075 -7.221 -0.038 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.849 -9.224 0.742 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.531 -9.235 1.235 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.809 -11.868 0.511 1.00 1.19 H new ATOM 1538 N SER A 100 -3.007 -7.560 -1.425 1.00 0.27 N ATOM 1539 CA SER A 100 -1.926 -7.521 -2.382 1.00 0.30 C ATOM 1540 C SER A 100 -0.606 -7.822 -1.726 1.00 0.31 C ATOM 1541 O SER A 100 -0.381 -7.547 -0.544 1.00 0.42 O ATOM 1542 CB SER A 100 -1.848 -6.195 -3.129 1.00 0.38 C ATOM 1543 OG SER A 100 -0.724 -6.152 -3.989 1.00 0.84 O ATOM 0 H SER A 100 -2.806 -7.096 -0.539 1.00 0.27 H new ATOM 0 HA SER A 100 -2.143 -8.297 -3.116 1.00 0.30 H new ATOM 0 HB2 SER A 100 -2.759 -6.049 -3.710 1.00 0.38 H new ATOM 0 HB3 SER A 100 -1.792 -5.375 -2.413 1.00 0.38 H new ATOM 0 HG SER A 100 -0.736 -5.317 -4.501 1.00 0.84 H new ATOM 1549 N ASN A 101 0.241 -8.408 -2.519 1.00 0.34 N ATOM 1550 CA ASN A 101 1.571 -8.791 -2.096 1.00 0.37 C ATOM 1551 C ASN A 101 2.577 -8.377 -3.154 1.00 0.42 C ATOM 1552 O ASN A 101 2.608 -8.932 -4.249 1.00 0.65 O ATOM 1553 CB ASN A 101 1.647 -10.301 -1.793 1.00 0.60 C ATOM 1554 CG ASN A 101 0.839 -11.187 -2.745 1.00 0.97 C ATOM 1555 OD1 ASN A 101 0.235 -12.173 -2.317 1.00 1.58 O ATOM 1556 ND2 ASN A 101 0.847 -10.874 -4.034 1.00 1.05 N ATOM 0 H ASN A 101 0.033 -8.640 -3.490 1.00 0.34 H new ATOM 0 HA ASN A 101 1.813 -8.274 -1.168 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.691 -10.612 -1.827 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.297 -10.471 -0.775 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.343 -11.456 -4.703 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.357 -10.051 -4.356 1.00 1.05 H new ATOM 1563 N PHE A 102 3.382 -7.382 -2.832 1.00 0.31 N ATOM 1564 CA PHE A 102 4.297 -6.819 -3.788 1.00 0.38 C ATOM 1565 C PHE A 102 5.605 -6.504 -3.099 1.00 0.30 C ATOM 1566 O PHE A 102 5.633 -5.925 -2.012 1.00 0.37 O ATOM 1567 CB PHE A 102 3.689 -5.581 -4.449 1.00 0.57 C ATOM 1568 CG PHE A 102 3.167 -4.541 -3.500 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.890 -4.638 -2.968 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.944 -3.454 -3.151 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.410 -3.670 -2.107 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.466 -2.487 -2.296 1.00 0.84 C ATOM 1573 CZ PHE A 102 2.201 -2.595 -1.774 1.00 0.86 C ATOM 0 H PHE A 102 3.415 -6.950 -1.909 1.00 0.31 H new ATOM 0 HA PHE A 102 4.491 -7.541 -4.581 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.444 -5.122 -5.087 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.874 -5.899 -5.099 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.264 -5.479 -3.229 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.941 -3.361 -3.555 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.415 -3.757 -1.696 1.00 0.74 H new ATOM 0 HE2 PHE A 102 4.087 -1.642 -2.036 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.827 -1.836 -1.102 1.00 0.86 H new ATOM 1583 N ASN A 103 6.680 -6.911 -3.722 1.00 0.24 N ATOM 1584 CA ASN A 103 7.968 -6.846 -3.123 1.00 0.25 C ATOM 1585 C ASN A 103 8.760 -5.687 -3.656 1.00 0.28 C ATOM 1586 O ASN A 103 8.586 -5.237 -4.775 1.00 0.49 O ATOM 1587 CB ASN A 103 8.730 -8.137 -3.386 1.00 0.33 C ATOM 1588 CG ASN A 103 8.653 -8.596 -4.816 1.00 1.08 C ATOM 1589 OD1 ASN A 103 7.728 -9.306 -5.207 1.00 2.11 O ATOM 1590 ND2 ASN A 103 9.631 -8.214 -5.599 1.00 1.25 N ATOM 0 H ASN A 103 6.676 -7.298 -4.666 1.00 0.24 H new ATOM 0 HA ASN A 103 7.830 -6.708 -2.051 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.776 -7.995 -3.114 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.336 -8.921 -2.739 1.00 0.33 H new ATOM 0 HD21 ASN A 103 9.646 -8.506 -6.576 1.00 1.25 H new ATOM 0 HD22 ASN A 103 10.378 -7.625 -5.232 1.00 1.25 H new ATOM 1597 N LEU A 104 9.648 -5.231 -2.844 1.00 0.23 N ATOM 1598 CA LEU A 104 10.591 -4.227 -3.262 1.00 0.24 C ATOM 1599 C LEU A 104 11.975 -4.769 -3.080 1.00 0.25 C ATOM 1600 O LEU A 104 12.357 -5.154 -1.979 1.00 0.37 O ATOM 1601 CB LEU A 104 10.443 -2.911 -2.493 1.00 0.27 C ATOM 1602 CG LEU A 104 11.736 -2.164 -2.298 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.715 -0.843 -3.037 1.00 0.28 C ATOM 1604 CD2 LEU A 104 12.032 -1.964 -0.832 1.00 0.30 C ATOM 0 H LEU A 104 9.750 -5.534 -1.875 1.00 0.23 H new ATOM 0 HA LEU A 104 10.393 -3.998 -4.309 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.741 -2.269 -3.025 1.00 0.27 H new ATOM 0 HB3 LEU A 104 10.006 -3.120 -1.517 1.00 0.27 H new ATOM 0 HG LEU A 104 12.539 -2.769 -2.718 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.660 -0.323 -2.880 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.573 -1.024 -4.102 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.896 -0.229 -2.661 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.971 -1.422 -0.721 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.226 -1.391 -0.373 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.113 -2.934 -0.341 1.00 0.30 H new ATOM 1616 N THR A 105 12.709 -4.831 -4.155 1.00 0.23 N ATOM 1617 CA THR A 105 14.087 -5.222 -4.061 1.00 0.24 C ATOM 1618 C THR A 105 14.948 -3.981 -4.104 1.00 0.21 C ATOM 1619 O THR A 105 15.237 -3.449 -5.177 1.00 0.22 O ATOM 1620 CB THR A 105 14.500 -6.170 -5.190 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.492 -7.173 -5.393 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.827 -6.833 -4.860 1.00 0.32 C ATOM 0 H THR A 105 12.381 -4.618 -5.097 1.00 0.23 H new ATOM 0 HA THR A 105 14.223 -5.758 -3.122 1.00 0.24 H new ATOM 0 HB THR A 105 14.611 -5.590 -6.106 1.00 0.28 H new ATOM 0 HG1 THR A 105 12.956 -6.943 -6.181 1.00 0.33 H new ATOM 0 HG21 THR A 105 16.110 -7.505 -5.671 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.595 -6.069 -4.737 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.730 -7.401 -3.935 1.00 0.32 H new ATOM 1630 N VAL A 106 15.319 -3.504 -2.934 1.00 0.23 N ATOM 1631 CA VAL A 106 16.153 -2.341 -2.830 1.00 0.23 C ATOM 1632 C VAL A 106 17.608 -2.752 -2.966 1.00 0.25 C ATOM 1633 O VAL A 106 18.171 -3.524 -2.190 1.00 0.28 O ATOM 1634 CB VAL A 106 15.916 -1.556 -1.528 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.215 -2.411 -0.343 1.00 0.31 C ATOM 1636 CG2 VAL A 106 16.696 -0.253 -1.520 1.00 0.33 C ATOM 0 H VAL A 106 15.050 -3.913 -2.039 1.00 0.23 H new ATOM 0 HA VAL A 106 15.888 -1.663 -3.642 1.00 0.23 H new ATOM 0 HB VAL A 106 14.862 -1.282 -1.472 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.042 -1.841 0.570 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.565 -3.286 -0.353 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.256 -2.732 -0.379 1.00 0.31 H new ATOM 0 HG21 VAL A 106 16.507 0.278 -0.587 1.00 0.33 H new ATOM 0 HG22 VAL A 106 17.761 -0.466 -1.607 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.380 0.365 -2.360 1.00 0.33 H new ATOM 1646 N HIS A 107 18.169 -2.240 -4.003 1.00 0.26 N ATOM 1647 CA HIS A 107 19.519 -2.536 -4.411 1.00 0.31 C ATOM 1648 C HIS A 107 20.473 -1.543 -3.795 1.00 0.34 C ATOM 1649 O HIS A 107 20.596 -0.407 -4.244 1.00 0.36 O ATOM 1650 CB HIS A 107 19.656 -2.489 -5.935 1.00 0.36 C ATOM 1651 CG HIS A 107 18.834 -3.502 -6.661 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.081 -4.850 -6.599 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.758 -3.356 -7.471 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.203 -5.490 -7.341 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.385 -4.609 -7.885 1.00 0.53 N ATOM 0 H HIS A 107 17.695 -1.580 -4.619 1.00 0.26 H new ATOM 0 HA HIS A 107 19.761 -3.542 -4.069 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.375 -1.495 -6.282 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.704 -2.634 -6.198 1.00 0.36 H new ATOM 0 HD1 HIS A 107 19.829 -5.288 -6.061 1.00 1.19 H new ATOM 0 HD2 HIS A 107 17.282 -2.425 -7.741 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.159 -6.560 -7.482 1.00 1.10 H new ATOM 1664 N GLU A 108 21.109 -1.973 -2.742 1.00 0.45 N ATOM 1665 CA GLU A 108 22.204 -1.216 -2.155 1.00 0.56 C ATOM 1666 C GLU A 108 23.434 -1.328 -3.043 1.00 0.71 C ATOM 1667 O GLU A 108 23.866 -0.356 -3.664 1.00 1.33 O ATOM 1668 CB GLU A 108 22.544 -1.719 -0.751 1.00 0.71 C ATOM 1669 CG GLU A 108 23.409 -0.743 0.029 1.00 0.87 C ATOM 1670 CD GLU A 108 24.286 -1.411 1.067 1.00 1.20 C ATOM 1671 OE1 GLU A 108 23.772 -2.218 1.867 1.00 1.66 O ATOM 1672 OE2 GLU A 108 25.500 -1.114 1.094 1.00 1.67 O ATOM 0 H GLU A 108 20.894 -2.847 -2.263 1.00 0.45 H new ATOM 0 HA GLU A 108 21.890 -0.175 -2.077 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.621 -1.899 -0.201 1.00 0.71 H new ATOM 0 HB3 GLU A 108 23.061 -2.675 -0.828 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.040 -0.192 -0.668 1.00 0.87 H new ATOM 0 HG3 GLU A 108 22.766 -0.014 0.522 1.00 0.87 H new ATOM 1679 N ALA A 109 23.975 -2.534 -3.110 1.00 1.29 N ATOM 1680 CA ALA A 109 25.135 -2.823 -3.928 1.00 1.54 C ATOM 1681 C ALA A 109 24.850 -4.035 -4.804 1.00 2.12 C ATOM 1682 O ALA A 109 23.730 -4.550 -4.808 1.00 2.78 O ATOM 1683 CB ALA A 109 26.354 -3.067 -3.048 1.00 2.44 C ATOM 0 H ALA A 109 23.619 -3.340 -2.596 1.00 1.29 H new ATOM 0 HA ALA A 109 25.347 -1.967 -4.569 1.00 1.54 H new ATOM 0 HB1 ALA A 109 27.219 -3.283 -3.676 1.00 2.44 H new ATOM 0 HB2 ALA A 109 26.554 -2.179 -2.449 1.00 2.44 H new ATOM 0 HB3 ALA A 109 26.163 -3.914 -2.389 1.00 2.44 H new ATOM 1689 N MET A 110 25.852 -4.485 -5.536 1.00 2.77 N ATOM 1690 CA MET A 110 25.714 -5.655 -6.390 1.00 3.92 C ATOM 1691 C MET A 110 26.712 -6.722 -5.965 1.00 4.80 C ATOM 1692 O MET A 110 27.820 -6.768 -6.535 1.00 5.41 O ATOM 1693 CB MET A 110 25.925 -5.270 -7.857 1.00 4.52 C ATOM 1694 CG MET A 110 24.904 -4.271 -8.378 1.00 5.33 C ATOM 1695 SD MET A 110 25.202 -3.785 -10.093 1.00 6.12 S ATOM 1696 CE MET A 110 23.860 -2.623 -10.345 1.00 6.92 C ATOM 1697 OXT MET A 110 26.401 -7.481 -5.022 1.00 5.23 O ATOM 0 H MET A 110 26.777 -4.056 -5.558 1.00 2.77 H new ATOM 0 HA MET A 110 24.706 -6.057 -6.286 1.00 3.92 H new ATOM 0 HB2 MET A 110 26.924 -4.850 -7.973 1.00 4.52 H new ATOM 0 HB3 MET A 110 25.885 -6.171 -8.470 1.00 4.52 H new ATOM 0 HG2 MET A 110 23.907 -4.703 -8.297 1.00 5.33 H new ATOM 0 HG3 MET A 110 24.918 -3.383 -7.747 1.00 5.33 H new ATOM 0 HE1 MET A 110 23.904 -2.231 -11.361 1.00 6.92 H new ATOM 0 HE2 MET A 110 22.907 -3.129 -10.193 1.00 6.92 H new ATOM 0 HE3 MET A 110 23.952 -1.801 -9.635 1.00 6.92 H new TER 1707 MET A 110