USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=30 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 43 LYS NZ :NH3+ -141:sc= 0.332 (180deg=-0.829) USER MOD Set 1.2: A 87 TYR OH : rot 110:sc= 0.374 USER MOD Single : A 1 ASP N :NH3+ -155:sc= 1.18 (180deg=0.925) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.065) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0753 USER MOD Single : A 21 SER OG : rot -174:sc= -3.58! USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00985 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+ -164:sc= -0.0208 (180deg=-0.201) USER MOD Single : A 40 LYS NZ :NH3+ 145:sc= 1.2 (180deg=0.762) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00893) 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= -0.423 X(o=-0.42,f=-0.88) USER MOD Single : A 58 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.5) USER MOD Single : A 60 HIS : no HD1:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 62 SER OG : rot 70:sc= 0.375 USER MOD Single : A 63 TYR OH : rot 180:sc=-0.00662 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= 0.937 (180deg=0.256) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0359! C(o=-0.036!,f=-5.1!) USER MOD Single : A 77 THR OG1 : rot 84:sc= 1.04 USER MOD Single : A 80 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.029) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 89 CYS SG : rot 87:sc= 1.54 USER MOD Single : A 92 SER OG : rot -54:sc= 0.103 USER MOD Single : A 93 THR OG1 : rot -50:sc= -2.86! USER MOD Single : A 94 LYS NZ :NH3+ -139:sc= -4.55! (180deg=-8.99!) USER MOD Single : A 96 LYS NZ :NH3+ 163:sc= 0.582 (180deg=0.453) USER MOD Single : A 99 CYS SG : rot 109:sc= -3.29! USER MOD Single : A 100 SER OG : rot -112:sc= -2.41! USER MOD Single : A 101 ASN : amide:sc= 0.921 K(o=0.92,f=-0.57) USER MOD Single : A 103 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.14) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= -2.09! C(o=-2.1!,f=-5!) USER MOD Single : A 110 MET CE :methyl -171:sc= -0.273 (180deg=-0.732) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -16.828 -11.994 0.662 1.00 0.92 N ATOM 2 CA ASP A 1 -16.493 -11.000 -0.385 1.00 0.81 C ATOM 3 C ASP A 1 -17.685 -10.817 -1.287 1.00 0.80 C ATOM 4 O ASP A 1 -18.107 -11.733 -1.989 1.00 0.99 O ATOM 5 CB ASP A 1 -15.289 -11.458 -1.207 1.00 0.90 C ATOM 6 CG ASP A 1 -14.160 -11.969 -0.342 1.00 1.34 C ATOM 7 OD1 ASP A 1 -14.192 -13.160 0.038 1.00 1.68 O ATOM 8 OD2 ASP A 1 -13.237 -11.194 -0.040 1.00 1.93 O ATOM 0 H1 ASP A 1 -16.232 -11.831 1.499 1.00 0.92 H new ATOM 0 H2 ASP A 1 -17.829 -11.896 0.926 1.00 0.92 H new ATOM 0 H3 ASP A 1 -16.658 -12.953 0.297 1.00 0.92 H new ATOM 0 HA ASP A 1 -16.237 -10.055 0.094 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -15.600 -12.244 -1.895 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -14.930 -10.627 -1.814 1.00 0.90 H new ATOM 13 N ASP A 2 -18.227 -9.625 -1.242 1.00 0.70 N ATOM 14 CA ASP A 2 -19.427 -9.281 -1.969 1.00 0.72 C ATOM 15 C ASP A 2 -19.084 -8.225 -3.019 1.00 0.70 C ATOM 16 O ASP A 2 -18.137 -7.463 -2.814 1.00 0.75 O ATOM 17 CB ASP A 2 -20.434 -8.782 -0.935 1.00 0.79 C ATOM 18 CG ASP A 2 -21.653 -8.092 -1.513 1.00 1.04 C ATOM 19 OD1 ASP A 2 -22.611 -8.800 -1.881 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.643 -6.850 -1.637 1.00 1.65 O ATOM 0 H ASP A 2 -17.843 -8.856 -0.693 1.00 0.70 H new ATOM 0 HA ASP A 2 -19.857 -10.128 -2.505 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.765 -9.629 -0.333 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -19.928 -8.090 -0.261 1.00 0.79 H new ATOM 25 N PRO A 3 -19.789 -8.215 -4.171 1.00 0.71 N ATOM 26 CA PRO A 3 -19.531 -7.293 -5.294 1.00 0.72 C ATOM 27 C PRO A 3 -19.317 -5.828 -4.900 1.00 0.66 C ATOM 28 O PRO A 3 -20.257 -5.035 -4.812 1.00 0.97 O ATOM 29 CB PRO A 3 -20.779 -7.425 -6.184 1.00 0.84 C ATOM 30 CG PRO A 3 -21.724 -8.315 -5.443 1.00 0.94 C ATOM 31 CD PRO A 3 -20.886 -9.132 -4.502 1.00 0.81 C ATOM 0 HA PRO A 3 -18.594 -7.565 -5.781 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -21.228 -6.450 -6.372 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -20.523 -7.850 -7.154 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.462 -7.728 -4.896 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -22.273 -8.957 -6.131 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -21.446 -9.431 -3.616 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -20.523 -10.046 -4.972 1.00 0.81 H new ATOM 39 N ILE A 4 -18.057 -5.500 -4.658 1.00 0.45 N ATOM 40 CA ILE A 4 -17.609 -4.137 -4.399 1.00 0.41 C ATOM 41 C ILE A 4 -16.512 -3.811 -5.382 1.00 0.41 C ATOM 42 O ILE A 4 -16.623 -2.893 -6.192 1.00 0.50 O ATOM 43 CB ILE A 4 -17.066 -3.980 -2.957 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.195 -3.663 -1.983 1.00 0.42 C ATOM 45 CG2 ILE A 4 -15.999 -2.899 -2.858 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.163 -4.793 -1.796 1.00 0.46 C ATOM 0 H ILE A 4 -17.302 -6.185 -4.635 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.455 -3.459 -4.511 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.610 -4.934 -2.692 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.766 -3.400 -1.016 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.737 -2.787 -2.341 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.649 -2.826 -1.828 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.162 -3.153 -3.508 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.421 -1.942 -3.166 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -19.938 -4.495 -1.090 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.621 -5.042 -2.753 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.635 -5.664 -1.408 1.00 0.46 H new ATOM 58 N GLY A 5 -15.449 -4.593 -5.304 1.00 0.36 N ATOM 59 CA GLY A 5 -14.325 -4.369 -6.174 1.00 0.39 C ATOM 60 C GLY A 5 -13.340 -3.495 -5.472 1.00 0.33 C ATOM 61 O GLY A 5 -12.686 -2.648 -6.069 1.00 0.33 O ATOM 0 H GLY A 5 -15.348 -5.374 -4.656 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -13.862 -5.318 -6.444 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.653 -3.899 -7.101 1.00 0.39 H new ATOM 65 N LEU A 6 -13.308 -3.718 -4.169 1.00 0.32 N ATOM 66 CA LEU A 6 -12.434 -3.042 -3.234 1.00 0.29 C ATOM 67 C LEU A 6 -11.064 -2.813 -3.851 1.00 0.29 C ATOM 68 O LEU A 6 -10.546 -1.701 -3.854 1.00 0.33 O ATOM 69 CB LEU A 6 -12.339 -3.936 -2.001 1.00 0.29 C ATOM 70 CG LEU A 6 -12.371 -3.243 -0.646 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.610 -2.386 -0.476 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.296 -4.286 0.440 1.00 0.28 C ATOM 0 H LEU A 6 -13.916 -4.403 -3.719 1.00 0.32 H new ATOM 0 HA LEU A 6 -12.826 -2.060 -2.969 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.161 -4.651 -2.036 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.414 -4.509 -2.068 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.513 -2.574 -0.580 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.592 -1.910 0.505 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.631 -1.620 -1.251 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.499 -3.011 -0.559 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.318 -3.799 1.415 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.146 -4.963 0.353 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.370 -4.851 0.338 1.00 0.28 H new ATOM 84 N PHE A 7 -10.498 -3.879 -4.378 1.00 0.30 N ATOM 85 CA PHE A 7 -9.279 -3.795 -5.143 1.00 0.32 C ATOM 86 C PHE A 7 -9.579 -3.332 -6.554 1.00 0.29 C ATOM 87 O PHE A 7 -9.760 -4.136 -7.471 1.00 0.32 O ATOM 88 CB PHE A 7 -8.590 -5.149 -5.165 1.00 0.41 C ATOM 89 CG PHE A 7 -7.384 -5.223 -4.282 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.343 -4.538 -3.080 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.294 -5.984 -4.656 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.235 -4.617 -2.265 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.183 -6.066 -3.850 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.154 -5.382 -2.651 1.00 0.61 C ATOM 0 H PHE A 7 -10.872 -4.824 -4.286 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.614 -3.069 -4.675 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.302 -5.915 -4.858 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.295 -5.380 -6.189 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.187 -3.936 -2.778 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.314 -6.521 -5.593 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.213 -4.082 -1.327 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.336 -6.663 -4.154 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.284 -5.446 -2.015 1.00 0.61 H new ATOM 104 N VAL A 8 -9.667 -2.026 -6.696 1.00 0.28 N ATOM 105 CA VAL A 8 -9.848 -1.401 -7.996 1.00 0.34 C ATOM 106 C VAL A 8 -8.543 -1.488 -8.767 1.00 0.44 C ATOM 107 O VAL A 8 -8.517 -1.767 -9.964 1.00 0.63 O ATOM 108 CB VAL A 8 -10.265 0.075 -7.855 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.590 0.671 -9.216 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.445 0.200 -6.906 1.00 0.33 C ATOM 0 H VAL A 8 -9.616 -1.367 -5.919 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.642 -1.925 -8.528 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.430 0.637 -7.435 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.882 1.714 -9.096 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.711 0.612 -9.858 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.410 0.114 -9.671 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.730 1.248 -6.815 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.287 -0.372 -7.295 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.166 -0.186 -5.926 1.00 0.33 H new ATOM 120 N MET A 9 -7.461 -1.251 -8.050 1.00 0.43 N ATOM 121 CA MET A 9 -6.130 -1.434 -8.580 1.00 0.65 C ATOM 122 C MET A 9 -5.175 -1.717 -7.444 1.00 0.44 C ATOM 123 O MET A 9 -5.207 -1.054 -6.406 1.00 0.44 O ATOM 124 CB MET A 9 -5.652 -0.221 -9.363 1.00 1.05 C ATOM 125 CG MET A 9 -4.310 -0.452 -10.026 1.00 1.45 C ATOM 126 SD MET A 9 -4.339 -1.831 -11.188 1.00 2.35 S ATOM 127 CE MET A 9 -2.639 -1.837 -11.748 1.00 2.88 C ATOM 0 H MET A 9 -7.484 -0.926 -7.083 1.00 0.43 H new ATOM 0 HA MET A 9 -6.158 -2.277 -9.271 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.391 0.031 -10.124 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.580 0.635 -8.692 1.00 1.05 H new ATOM 0 HG2 MET A 9 -4.007 0.454 -10.551 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.558 -0.643 -9.260 1.00 1.45 H new ATOM 0 HE1 MET A 9 -2.498 -2.638 -12.474 1.00 2.88 H new ATOM 0 HE2 MET A 9 -2.406 -0.879 -12.214 1.00 2.88 H new ATOM 0 HE3 MET A 9 -1.976 -1.998 -10.898 1.00 2.88 H new ATOM 137 N ARG A 10 -4.338 -2.703 -7.650 1.00 0.47 N ATOM 138 CA ARG A 10 -3.394 -3.130 -6.645 1.00 0.41 C ATOM 139 C ARG A 10 -2.003 -2.636 -7.005 1.00 0.39 C ATOM 140 O ARG A 10 -1.619 -2.641 -8.175 1.00 0.45 O ATOM 141 CB ARG A 10 -3.400 -4.657 -6.529 1.00 0.46 C ATOM 142 CG ARG A 10 -3.200 -5.354 -7.861 1.00 0.97 C ATOM 143 CD ARG A 10 -3.271 -6.866 -7.740 1.00 1.34 C ATOM 144 NE ARG A 10 -3.184 -7.499 -9.054 1.00 2.11 N ATOM 145 CZ ARG A 10 -2.491 -8.602 -9.316 1.00 2.72 C ATOM 146 NH1 ARG A 10 -1.908 -9.271 -8.332 1.00 2.74 N ATOM 147 NH2 ARG A 10 -2.400 -9.041 -10.561 1.00 3.67 N ATOM 0 H ARG A 10 -4.291 -3.233 -8.520 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.683 -2.708 -5.683 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.613 -4.967 -5.842 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.347 -4.979 -6.095 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.960 -5.013 -8.564 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.232 -5.070 -8.275 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -2.459 -7.223 -7.106 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -4.204 -7.153 -7.255 1.00 1.34 H new ATOM 0 HE ARG A 10 -3.691 -7.063 -9.824 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -1.991 -8.940 -7.371 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -1.377 -10.117 -8.536 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -2.861 -8.533 -11.316 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -1.869 -9.887 -10.766 1.00 3.67 H new ATOM 161 N PRO A 11 -1.231 -2.201 -6.010 1.00 0.43 N ATOM 162 CA PRO A 11 0.125 -1.745 -6.238 1.00 0.50 C ATOM 163 C PRO A 11 1.044 -2.926 -6.514 1.00 0.47 C ATOM 164 O PRO A 11 0.744 -4.064 -6.136 1.00 0.54 O ATOM 165 CB PRO A 11 0.507 -1.033 -4.944 1.00 0.62 C ATOM 166 CG PRO A 11 -0.393 -1.580 -3.902 1.00 0.64 C ATOM 167 CD PRO A 11 -1.611 -2.148 -4.593 1.00 0.53 C ATOM 0 HA PRO A 11 0.211 -1.089 -7.104 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.552 -1.213 -4.692 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.384 0.046 -5.040 1.00 0.62 H new ATOM 0 HG2 PRO A 11 0.115 -2.354 -3.327 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.682 -0.799 -3.199 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.860 -3.138 -4.210 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.486 -1.517 -4.439 1.00 0.53 H new ATOM 175 N GLN A 12 2.142 -2.663 -7.192 1.00 0.44 N ATOM 176 CA GLN A 12 3.029 -3.711 -7.639 1.00 0.43 C ATOM 177 C GLN A 12 4.396 -3.556 -7.009 1.00 0.37 C ATOM 178 O GLN A 12 4.610 -2.641 -6.223 1.00 0.40 O ATOM 179 CB GLN A 12 3.112 -3.662 -9.152 1.00 0.55 C ATOM 180 CG GLN A 12 1.754 -3.837 -9.793 1.00 0.73 C ATOM 181 CD GLN A 12 1.224 -5.253 -9.635 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.429 -6.100 -10.503 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.579 -5.540 -8.505 1.00 1.32 N ATOM 0 H GLN A 12 2.441 -1.722 -7.446 1.00 0.44 H new ATOM 0 HA GLN A 12 2.641 -4.682 -7.332 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.541 -2.709 -9.462 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.784 -4.444 -9.505 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.050 -3.135 -9.346 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.820 -3.591 -10.853 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.426 -4.813 -7.806 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.238 -6.487 -8.339 1.00 1.32 H new ATOM 192 N ASP A 13 5.305 -4.458 -7.343 1.00 0.34 N ATOM 193 CA ASP A 13 6.602 -4.481 -6.791 1.00 0.33 C ATOM 194 C ASP A 13 7.456 -3.353 -7.323 1.00 0.36 C ATOM 195 O ASP A 13 6.995 -2.244 -7.609 1.00 0.50 O ATOM 196 CB ASP A 13 7.224 -5.826 -7.162 1.00 0.35 C ATOM 197 CG ASP A 13 7.127 -6.145 -8.644 1.00 1.04 C ATOM 198 OD1 ASP A 13 6.025 -6.496 -9.111 1.00 1.03 O ATOM 199 OD2 ASP A 13 8.159 -6.047 -9.350 1.00 2.06 O ATOM 0 H ASP A 13 5.134 -5.200 -8.022 1.00 0.34 H new ATOM 0 HA ASP A 13 6.545 -4.352 -5.710 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.273 -5.828 -6.865 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.731 -6.615 -6.595 1.00 0.35 H new ATOM 204 N GLY A 14 8.702 -3.673 -7.455 1.00 0.30 N ATOM 205 CA GLY A 14 9.678 -2.720 -7.883 1.00 0.30 C ATOM 206 C GLY A 14 11.057 -3.054 -7.400 1.00 0.25 C ATOM 207 O GLY A 14 11.281 -3.378 -6.235 1.00 0.28 O ATOM 0 H GLY A 14 9.074 -4.604 -7.269 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.680 -2.671 -8.972 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.399 -1.731 -7.520 1.00 0.30 H new ATOM 211 N GLU A 15 11.967 -2.970 -8.322 1.00 0.26 N ATOM 212 CA GLU A 15 13.376 -3.174 -8.059 1.00 0.25 C ATOM 213 C GLU A 15 14.084 -1.847 -8.194 1.00 0.23 C ATOM 214 O GLU A 15 14.186 -1.303 -9.293 1.00 0.30 O ATOM 215 CB GLU A 15 13.982 -4.185 -9.025 1.00 0.33 C ATOM 216 CG GLU A 15 13.413 -5.583 -8.895 1.00 0.69 C ATOM 217 CD GLU A 15 14.226 -6.584 -9.678 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.269 -7.037 -9.173 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.808 -6.946 -10.796 1.00 1.53 O ATOM 0 H GLU A 15 11.758 -2.755 -9.297 1.00 0.26 H new ATOM 0 HA GLU A 15 13.495 -3.571 -7.051 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.827 -3.835 -10.045 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.059 -4.226 -8.863 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.391 -5.872 -7.844 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.382 -5.592 -9.250 1.00 0.69 H new ATOM 226 N VAL A 16 14.560 -1.318 -7.083 1.00 0.20 N ATOM 227 CA VAL A 16 15.094 -0.022 -7.044 1.00 0.21 C ATOM 228 C VAL A 16 16.389 -0.080 -6.290 1.00 0.22 C ATOM 229 O VAL A 16 16.680 -1.039 -5.585 1.00 0.27 O ATOM 230 CB VAL A 16 14.134 0.963 -6.355 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.707 0.766 -6.838 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.218 0.868 -4.832 1.00 0.23 C ATOM 0 H VAL A 16 14.575 -1.803 -6.186 1.00 0.20 H new ATOM 0 HA VAL A 16 15.250 0.334 -8.062 1.00 0.21 H new ATOM 0 HB VAL A 16 14.448 1.969 -6.634 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.051 1.476 -6.334 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.661 0.931 -7.914 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.384 -0.250 -6.613 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.525 1.580 -4.384 1.00 0.23 H new ATOM 0 HG22 VAL A 16 13.956 -0.142 -4.515 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.233 1.098 -4.509 1.00 0.23 H new ATOM 242 N THR A 17 17.145 0.935 -6.455 1.00 0.23 N ATOM 243 CA THR A 17 18.408 1.065 -5.800 1.00 0.27 C ATOM 244 C THR A 17 18.227 1.863 -4.520 1.00 0.28 C ATOM 245 O THR A 17 17.361 2.743 -4.454 1.00 0.28 O ATOM 246 CB THR A 17 19.393 1.798 -6.712 1.00 0.35 C ATOM 247 OG1 THR A 17 18.765 2.118 -7.965 1.00 0.77 O ATOM 248 CG2 THR A 17 20.642 0.972 -6.962 1.00 0.56 C ATOM 0 H THR A 17 16.908 1.721 -7.060 1.00 0.23 H new ATOM 0 HA THR A 17 18.798 0.073 -5.570 1.00 0.27 H new ATOM 0 HB THR A 17 19.689 2.717 -6.207 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.404 2.588 -8.540 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.319 1.524 -7.614 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.138 0.767 -6.014 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.367 0.031 -7.438 1.00 0.56 H new ATOM 256 N VAL A 18 19.010 1.561 -3.501 1.00 0.31 N ATOM 257 CA VAL A 18 18.980 2.340 -2.303 1.00 0.35 C ATOM 258 C VAL A 18 19.474 3.714 -2.578 1.00 0.36 C ATOM 259 O VAL A 18 20.649 3.980 -2.847 1.00 0.39 O ATOM 260 CB VAL A 18 19.724 1.724 -1.121 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.979 1.012 -1.554 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.041 2.769 -0.064 1.00 0.78 C ATOM 0 H VAL A 18 19.669 0.782 -3.490 1.00 0.31 H new ATOM 0 HA VAL A 18 17.935 2.370 -1.994 1.00 0.35 H new ATOM 0 HB VAL A 18 19.058 0.981 -0.681 1.00 0.44 H new ATOM 0 HG11 VAL A 18 21.477 0.589 -0.681 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.722 0.212 -2.249 1.00 0.76 H new ATOM 0 HG13 VAL A 18 21.647 1.719 -2.046 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.571 2.299 0.765 1.00 0.78 H new ATOM 0 HG22 VAL A 18 20.666 3.549 -0.499 1.00 0.78 H new ATOM 0 HG23 VAL A 18 19.114 3.210 0.302 1.00 0.78 H new ATOM 272 N GLY A 19 18.511 4.546 -2.561 1.00 0.38 N ATOM 273 CA GLY A 19 18.719 5.949 -2.768 1.00 0.45 C ATOM 274 C GLY A 19 17.817 6.506 -3.842 1.00 0.40 C ATOM 275 O GLY A 19 17.859 7.708 -4.120 1.00 0.48 O ATOM 0 H GLY A 19 17.538 4.285 -2.402 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.542 6.483 -1.834 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.759 6.124 -3.043 1.00 0.45 H new ATOM 279 N GLY A 20 16.996 5.658 -4.467 1.00 0.32 N ATOM 280 CA GLY A 20 16.072 6.164 -5.426 1.00 0.32 C ATOM 281 C GLY A 20 14.781 6.480 -4.780 1.00 0.30 C ATOM 282 O GLY A 20 14.674 7.329 -3.902 1.00 0.44 O ATOM 0 H GLY A 20 16.967 4.649 -4.318 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.479 7.059 -5.896 1.00 0.32 H new ATOM 0 HA3 GLY A 20 15.920 5.430 -6.217 1.00 0.32 H new ATOM 286 N SER A 21 13.812 5.808 -5.266 1.00 0.24 N ATOM 287 CA SER A 21 12.496 5.832 -4.734 1.00 0.22 C ATOM 288 C SER A 21 11.810 4.545 -5.080 1.00 0.22 C ATOM 289 O SER A 21 12.322 3.717 -5.828 1.00 0.25 O ATOM 290 CB SER A 21 11.713 7.009 -5.282 1.00 0.30 C ATOM 291 OG SER A 21 10.390 7.061 -4.776 1.00 0.82 O ATOM 0 H SER A 21 13.911 5.199 -6.078 1.00 0.24 H new ATOM 0 HA SER A 21 12.549 5.943 -3.651 1.00 0.22 H new ATOM 0 HB2 SER A 21 12.231 7.935 -5.032 1.00 0.30 H new ATOM 0 HB3 SER A 21 11.681 6.946 -6.370 1.00 0.30 H new ATOM 0 HG SER A 21 9.895 7.777 -5.226 1.00 0.82 H new ATOM 297 N ILE A 22 10.661 4.422 -4.531 1.00 0.22 N ATOM 298 CA ILE A 22 9.724 3.445 -4.881 1.00 0.24 C ATOM 299 C ILE A 22 8.372 4.035 -4.639 1.00 0.25 C ATOM 300 O ILE A 22 8.159 4.889 -3.781 1.00 0.27 O ATOM 301 CB ILE A 22 9.912 2.136 -4.135 1.00 0.25 C ATOM 302 CG1 ILE A 22 9.043 1.046 -4.744 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.624 2.262 -2.649 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.370 0.707 -6.185 1.00 0.32 C ATOM 0 H ILE A 22 10.339 5.038 -3.785 1.00 0.22 H new ATOM 0 HA ILE A 22 9.852 3.177 -5.930 1.00 0.24 H new ATOM 0 HB ILE A 22 10.963 1.865 -4.238 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.141 0.143 -4.141 1.00 0.29 H new ATOM 0 HG13 ILE A 22 8.000 1.357 -4.686 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.774 1.296 -2.166 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.298 2.997 -2.209 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.593 2.583 -2.504 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.701 -0.079 -6.535 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.243 1.594 -6.805 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.402 0.362 -6.252 1.00 0.32 H new ATOM 316 N THR A 23 7.495 3.628 -5.439 1.00 0.25 N ATOM 317 CA THR A 23 6.178 4.199 -5.445 1.00 0.23 C ATOM 318 C THR A 23 5.125 3.145 -5.660 1.00 0.24 C ATOM 319 O THR A 23 5.175 2.353 -6.603 1.00 0.28 O ATOM 320 CB THR A 23 6.044 5.315 -6.487 1.00 0.26 C ATOM 321 OG1 THR A 23 7.100 6.277 -6.309 1.00 0.31 O ATOM 322 CG2 THR A 23 4.691 6.007 -6.371 1.00 0.24 C ATOM 0 H THR A 23 7.642 2.886 -6.124 1.00 0.25 H new ATOM 0 HA THR A 23 6.021 4.643 -4.462 1.00 0.23 H new ATOM 0 HB THR A 23 6.119 4.870 -7.479 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.011 6.988 -6.978 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.620 6.795 -7.121 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.895 5.280 -6.532 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.589 6.442 -5.377 1.00 0.24 H new ATOM 330 N PHE A 24 4.191 3.149 -4.756 1.00 0.24 N ATOM 331 CA PHE A 24 3.071 2.246 -4.784 1.00 0.27 C ATOM 332 C PHE A 24 1.790 3.047 -4.750 1.00 0.24 C ATOM 333 O PHE A 24 1.719 4.111 -4.141 1.00 0.30 O ATOM 334 CB PHE A 24 3.111 1.320 -3.579 1.00 0.40 C ATOM 335 CG PHE A 24 4.416 0.606 -3.404 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.671 -0.572 -4.085 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.382 1.109 -2.556 1.00 0.43 C ATOM 338 CE1 PHE A 24 5.871 -1.231 -3.921 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.584 0.454 -2.388 1.00 0.51 C ATOM 340 CZ PHE A 24 6.832 -0.717 -3.092 1.00 0.49 C ATOM 0 H PHE A 24 4.183 3.790 -3.963 1.00 0.24 H new ATOM 0 HA PHE A 24 3.118 1.648 -5.694 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.903 1.900 -2.680 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.314 0.582 -3.674 1.00 0.40 H new ATOM 0 HD1 PHE A 24 3.924 -0.978 -4.750 1.00 0.46 H new ATOM 0 HD2 PHE A 24 5.194 2.026 -2.018 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.054 -2.156 -4.448 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.328 0.850 -1.713 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.781 -1.221 -2.986 1.00 0.49 H new ATOM 350 N SER A 25 0.797 2.527 -5.405 1.00 0.28 N ATOM 351 CA SER A 25 -0.516 3.118 -5.419 1.00 0.28 C ATOM 352 C SER A 25 -1.576 2.037 -5.293 1.00 0.27 C ATOM 353 O SER A 25 -1.661 1.119 -6.104 1.00 0.31 O ATOM 354 CB SER A 25 -0.738 3.918 -6.690 1.00 0.35 C ATOM 355 OG SER A 25 0.420 3.922 -7.515 1.00 0.58 O ATOM 0 H SER A 25 0.872 1.670 -5.953 1.00 0.28 H new ATOM 0 HA SER A 25 -0.593 3.797 -4.570 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.578 3.498 -7.243 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.006 4.943 -6.433 1.00 0.35 H new ATOM 0 HG SER A 25 0.243 4.444 -8.325 1.00 0.58 H new ATOM 361 N ALA A 26 -2.358 2.166 -4.259 1.00 0.26 N ATOM 362 CA ALA A 26 -3.414 1.216 -3.935 1.00 0.26 C ATOM 363 C ALA A 26 -4.782 1.880 -4.081 1.00 0.22 C ATOM 364 O ALA A 26 -5.096 2.838 -3.380 1.00 0.25 O ATOM 365 CB ALA A 26 -3.212 0.680 -2.516 1.00 0.32 C ATOM 0 H ALA A 26 -2.288 2.942 -3.600 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.370 0.377 -4.629 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -4.004 -0.030 -2.279 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.246 0.180 -2.450 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.242 1.507 -1.807 1.00 0.32 H new ATOM 371 N ARG A 27 -5.591 1.380 -5.003 1.00 0.22 N ATOM 372 CA ARG A 27 -6.899 1.968 -5.269 1.00 0.25 C ATOM 373 C ARG A 27 -8.003 1.150 -4.619 1.00 0.23 C ATOM 374 O ARG A 27 -8.179 -0.027 -4.944 1.00 0.31 O ATOM 375 CB ARG A 27 -7.154 2.051 -6.773 1.00 0.36 C ATOM 376 CG ARG A 27 -6.281 3.065 -7.486 1.00 0.28 C ATOM 377 CD ARG A 27 -6.591 3.101 -8.979 1.00 0.46 C ATOM 378 NE ARG A 27 -5.969 4.240 -9.655 1.00 1.22 N ATOM 379 CZ ARG A 27 -6.126 4.517 -10.956 1.00 1.55 C ATOM 380 NH1 ARG A 27 -6.798 3.694 -11.754 1.00 1.46 N ATOM 381 NH2 ARG A 27 -5.598 5.619 -11.466 1.00 2.43 N ATOM 0 H ARG A 27 -5.367 0.569 -5.580 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.903 2.972 -4.845 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -6.989 1.068 -7.215 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.201 2.304 -6.941 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.439 4.053 -7.054 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.231 2.816 -7.335 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.245 2.176 -9.441 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.671 3.144 -9.121 1.00 0.46 H new ATOM 0 HE ARG A 27 -5.379 4.861 -9.101 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -7.203 2.837 -11.378 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -6.909 3.919 -12.743 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -5.072 6.256 -10.868 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -5.717 5.830 -12.457 1.00 2.43 H new ATOM 395 N VAL A 28 -8.758 1.769 -3.722 1.00 0.19 N ATOM 396 CA VAL A 28 -9.819 1.086 -3.039 1.00 0.20 C ATOM 397 C VAL A 28 -11.143 1.737 -3.341 1.00 0.23 C ATOM 398 O VAL A 28 -11.328 2.945 -3.187 1.00 0.24 O ATOM 399 CB VAL A 28 -9.628 1.045 -1.521 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.645 0.099 -0.891 1.00 0.26 C ATOM 401 CG2 VAL A 28 -8.202 0.644 -1.185 1.00 0.23 C ATOM 0 H VAL A 28 -8.645 2.748 -3.458 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.802 0.060 -3.406 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.799 2.039 -1.107 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.501 0.077 0.189 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.653 0.447 -1.115 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.509 -0.904 -1.296 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -8.077 0.618 -0.103 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.995 -0.343 -1.598 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.510 1.369 -1.613 1.00 0.23 H new ATOM 411 N ALA A 29 -12.022 0.909 -3.808 1.00 0.29 N ATOM 412 CA ALA A 29 -13.387 1.275 -4.097 1.00 0.32 C ATOM 413 C ALA A 29 -14.088 1.771 -2.848 1.00 0.34 C ATOM 414 O ALA A 29 -14.353 1.004 -1.921 1.00 0.40 O ATOM 415 CB ALA A 29 -14.131 0.086 -4.672 1.00 0.38 C ATOM 0 H ALA A 29 -11.812 -0.069 -4.007 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.379 2.082 -4.829 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.161 0.371 -4.887 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.644 -0.238 -5.592 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.124 -0.731 -3.951 1.00 0.38 H new ATOM 421 N GLY A 30 -14.345 3.063 -2.824 1.00 0.35 N ATOM 422 CA GLY A 30 -15.149 3.651 -1.768 1.00 0.42 C ATOM 423 C GLY A 30 -16.500 2.971 -1.638 1.00 0.50 C ATOM 424 O GLY A 30 -17.074 2.912 -0.556 1.00 0.76 O ATOM 0 H GLY A 30 -14.010 3.727 -3.522 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.614 3.578 -0.821 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.295 4.712 -1.971 1.00 0.42 H new ATOM 428 N ALA A 31 -17.020 2.522 -2.780 1.00 0.49 N ATOM 429 CA ALA A 31 -18.193 1.654 -2.845 1.00 0.55 C ATOM 430 C ALA A 31 -19.425 2.193 -2.106 1.00 0.64 C ATOM 431 O ALA A 31 -19.536 3.387 -1.817 1.00 0.71 O ATOM 432 CB ALA A 31 -17.811 0.308 -2.281 1.00 0.58 C ATOM 0 H ALA A 31 -16.634 2.754 -3.695 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.488 1.592 -3.893 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.672 -0.360 -2.318 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -16.997 -0.116 -2.870 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.488 0.425 -1.247 1.00 0.58 H new ATOM 438 N SER A 32 -20.359 1.288 -1.841 1.00 0.85 N ATOM 439 CA SER A 32 -21.541 1.571 -1.038 1.00 0.96 C ATOM 440 C SER A 32 -21.532 0.676 0.204 1.00 1.01 C ATOM 441 O SER A 32 -22.563 0.153 0.631 1.00 1.69 O ATOM 442 CB SER A 32 -22.791 1.321 -1.884 1.00 1.19 C ATOM 443 OG SER A 32 -22.678 0.101 -2.606 1.00 1.74 O ATOM 0 H SER A 32 -20.316 0.327 -2.181 1.00 0.85 H new ATOM 0 HA SER A 32 -21.541 2.612 -0.714 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.670 1.288 -1.240 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.936 2.148 -2.579 1.00 1.19 H new ATOM 0 HG SER A 32 -23.488 -0.040 -3.139 1.00 1.74 H new ATOM 449 N LEU A 33 -20.336 0.497 0.749 1.00 0.96 N ATOM 450 CA LEU A 33 -20.106 -0.338 1.928 1.00 0.93 C ATOM 451 C LEU A 33 -20.794 0.189 3.196 1.00 0.90 C ATOM 452 O LEU A 33 -21.432 1.240 3.186 1.00 0.98 O ATOM 453 CB LEU A 33 -18.587 -0.525 2.158 1.00 0.99 C ATOM 454 CG LEU A 33 -17.699 0.717 2.439 1.00 1.26 C ATOM 455 CD1 LEU A 33 -16.565 0.755 1.432 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.449 2.045 2.417 1.00 1.95 C ATOM 0 H LEU A 33 -19.488 0.930 0.384 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.565 -1.305 1.723 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.465 -1.210 2.997 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.182 -1.024 1.278 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.325 0.604 3.456 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -15.937 1.625 1.624 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -15.967 -0.151 1.524 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -16.975 0.819 0.424 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.754 2.859 2.623 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -18.900 2.192 1.436 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -19.230 2.034 3.177 1.00 1.95 H new ATOM 468 N LEU A 34 -20.658 -0.570 4.283 1.00 0.87 N ATOM 469 CA LEU A 34 -21.226 -0.182 5.569 1.00 0.89 C ATOM 470 C LEU A 34 -20.478 1.022 6.121 1.00 0.84 C ATOM 471 O LEU A 34 -21.068 2.055 6.429 1.00 0.95 O ATOM 472 CB LEU A 34 -21.133 -1.339 6.565 1.00 1.01 C ATOM 473 CG LEU A 34 -21.924 -1.129 7.852 1.00 1.22 C ATOM 474 CD1 LEU A 34 -23.414 -1.310 7.597 1.00 1.45 C ATOM 475 CD2 LEU A 34 -21.436 -2.066 8.945 1.00 1.47 C ATOM 0 H LEU A 34 -20.158 -1.459 4.296 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.275 0.075 5.422 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.487 -2.249 6.080 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -20.085 -1.500 6.819 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.761 -0.107 8.194 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.963 -1.157 8.526 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.747 -0.585 6.855 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.600 -2.319 7.228 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -22.015 -1.898 9.853 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -21.561 -3.099 8.621 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -20.382 -1.873 9.146 1.00 1.47 H new ATOM 487 N LYS A 35 -19.170 0.873 6.232 1.00 0.76 N ATOM 488 CA LYS A 35 -18.306 1.951 6.671 1.00 0.76 C ATOM 489 C LYS A 35 -17.044 1.956 5.824 1.00 0.65 C ATOM 490 O LYS A 35 -16.673 0.914 5.284 1.00 0.75 O ATOM 491 CB LYS A 35 -17.993 1.826 8.178 1.00 0.90 C ATOM 492 CG LYS A 35 -17.514 0.449 8.642 1.00 0.92 C ATOM 493 CD LYS A 35 -16.041 0.219 8.334 1.00 0.90 C ATOM 494 CE LYS A 35 -15.503 -1.024 9.032 1.00 1.00 C ATOM 495 NZ LYS A 35 -15.448 -0.858 10.511 1.00 1.40 N ATOM 0 H LYS A 35 -18.679 0.004 6.021 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.814 2.906 6.536 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -17.231 2.561 8.435 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.890 2.087 8.740 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -17.679 0.351 9.715 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -18.110 -0.324 8.157 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.907 0.118 7.257 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.464 1.089 8.647 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -16.134 -1.878 8.787 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.505 -1.247 8.656 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -14.839 -1.595 10.921 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -15.060 0.079 10.741 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -16.406 -0.943 10.906 1.00 1.40 H new ATOM 509 N PRO A 36 -16.402 3.130 5.665 1.00 0.65 N ATOM 510 CA PRO A 36 -15.193 3.281 4.843 1.00 0.56 C ATOM 511 C PRO A 36 -14.192 2.149 5.043 1.00 0.45 C ATOM 512 O PRO A 36 -13.928 1.735 6.177 1.00 0.47 O ATOM 513 CB PRO A 36 -14.618 4.608 5.328 1.00 0.61 C ATOM 514 CG PRO A 36 -15.815 5.404 5.718 1.00 0.88 C ATOM 515 CD PRO A 36 -16.806 4.415 6.275 1.00 0.88 C ATOM 0 HA PRO A 36 -15.416 3.255 3.776 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.943 4.465 6.172 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.047 5.105 4.544 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.557 6.159 6.461 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.230 5.931 4.859 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.761 4.373 7.363 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.829 4.680 6.008 1.00 0.88 H new ATOM 523 N PRO A 37 -13.630 1.636 3.938 1.00 0.40 N ATOM 524 CA PRO A 37 -12.715 0.500 3.973 1.00 0.35 C ATOM 525 C PRO A 37 -11.542 0.736 4.889 1.00 0.32 C ATOM 526 O PRO A 37 -10.925 1.800 4.881 1.00 0.36 O ATOM 527 CB PRO A 37 -12.215 0.347 2.543 1.00 0.40 C ATOM 528 CG PRO A 37 -12.752 1.505 1.760 1.00 0.53 C ATOM 529 CD PRO A 37 -13.833 2.149 2.577 1.00 0.47 C ATOM 0 HA PRO A 37 -13.225 -0.387 4.350 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.125 0.336 2.515 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.554 -0.597 2.116 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -11.959 2.221 1.544 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.147 1.168 0.802 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.756 3.236 2.548 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.822 1.889 2.200 1.00 0.47 H new ATOM 537 N VAL A 38 -11.228 -0.273 5.666 1.00 0.29 N ATOM 538 CA VAL A 38 -10.103 -0.203 6.541 1.00 0.27 C ATOM 539 C VAL A 38 -8.992 -0.919 5.859 1.00 0.22 C ATOM 540 O VAL A 38 -8.952 -2.145 5.766 1.00 0.20 O ATOM 541 CB VAL A 38 -10.318 -0.859 7.902 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.373 -0.270 8.937 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.762 -0.755 8.355 1.00 0.77 C ATOM 0 H VAL A 38 -11.744 -1.152 5.703 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.903 0.850 6.738 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.091 -1.920 7.797 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.543 -0.751 9.900 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.342 -0.436 8.625 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.556 0.801 9.029 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.874 -1.234 9.328 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -12.044 0.295 8.433 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.407 -1.251 7.630 1.00 0.77 H new ATOM 553 N VAL A 39 -8.124 -0.131 5.373 1.00 0.22 N ATOM 554 CA VAL A 39 -6.983 -0.592 4.662 1.00 0.21 C ATOM 555 C VAL A 39 -5.794 -0.483 5.552 1.00 0.20 C ATOM 556 O VAL A 39 -5.378 0.602 5.957 1.00 0.23 O ATOM 557 CB VAL A 39 -6.683 0.239 3.417 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.517 -0.349 2.629 1.00 0.28 C ATOM 559 CG2 VAL A 39 -7.922 0.406 2.554 1.00 0.24 C ATOM 0 H VAL A 39 -8.178 0.884 5.455 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.192 -1.617 4.355 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.382 1.234 3.744 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.327 0.264 1.748 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.626 -0.368 3.257 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -5.763 -1.364 2.318 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.676 1.002 1.675 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.281 -0.574 2.239 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.700 0.910 3.128 1.00 0.24 H new ATOM 569 N LYS A 40 -5.275 -1.606 5.848 1.00 0.19 N ATOM 570 CA LYS A 40 -4.030 -1.704 6.515 1.00 0.20 C ATOM 571 C LYS A 40 -2.973 -2.081 5.538 1.00 0.19 C ATOM 572 O LYS A 40 -3.065 -3.046 4.776 1.00 0.21 O ATOM 573 CB LYS A 40 -4.069 -2.671 7.688 1.00 0.26 C ATOM 574 CG LYS A 40 -4.560 -4.064 7.338 1.00 0.31 C ATOM 575 CD LYS A 40 -3.420 -4.991 6.900 1.00 0.37 C ATOM 576 CE LYS A 40 -2.708 -5.633 8.080 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.595 -6.559 8.831 1.00 1.54 N ATOM 0 H LYS A 40 -5.707 -2.505 5.632 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.798 -0.727 6.940 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.068 -2.748 8.113 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.713 -2.256 8.463 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -5.065 -4.496 8.202 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.298 -3.996 6.538 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.819 -5.771 6.252 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.700 -4.423 6.310 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -1.834 -6.178 7.723 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.345 -4.855 8.751 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -3.038 -7.363 9.184 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -4.023 -6.055 9.634 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -4.345 -6.908 8.201 1.00 1.54 H new ATOM 591 N TRP A 41 -2.024 -1.236 5.523 1.00 0.18 N ATOM 592 CA TRP A 41 -0.833 -1.440 4.765 1.00 0.19 C ATOM 593 C TRP A 41 0.204 -2.173 5.567 1.00 0.21 C ATOM 594 O TRP A 41 0.196 -2.174 6.799 1.00 0.28 O ATOM 595 CB TRP A 41 -0.262 -0.116 4.337 1.00 0.21 C ATOM 596 CG TRP A 41 -1.010 0.541 3.252 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.152 1.265 3.370 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.661 0.527 1.871 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.501 1.767 2.133 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.609 1.307 1.201 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.374 -0.058 1.139 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.555 1.512 -0.167 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.421 0.145 -0.224 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.543 0.929 -0.862 1.00 0.33 C ATOM 0 H TRP A 41 -2.041 -0.359 6.044 1.00 0.18 H new ATOM 0 HA TRP A 41 -1.096 -2.038 3.892 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.234 0.551 5.199 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.769 -0.264 4.015 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.701 1.423 4.287 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.294 2.380 1.944 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.124 -0.659 1.632 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.296 2.118 -0.668 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.212 -0.307 -0.804 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.483 1.075 -1.930 1.00 0.33 H new ATOM 615 N PHE A 42 1.087 -2.786 4.840 1.00 0.21 N ATOM 616 CA PHE A 42 2.295 -3.323 5.384 1.00 0.23 C ATOM 617 C PHE A 42 3.360 -2.939 4.407 1.00 0.26 C ATOM 618 O PHE A 42 3.222 -3.176 3.215 1.00 0.34 O ATOM 619 CB PHE A 42 2.241 -4.840 5.546 1.00 0.26 C ATOM 620 CG PHE A 42 3.252 -5.375 6.520 1.00 0.30 C ATOM 621 CD1 PHE A 42 3.020 -5.298 7.884 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.431 -5.950 6.077 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.943 -5.784 8.787 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.360 -6.440 6.978 1.00 0.50 C ATOM 625 CZ PHE A 42 5.115 -6.357 8.333 1.00 0.60 C ATOM 0 H PHE A 42 0.986 -2.929 3.835 1.00 0.21 H new ATOM 0 HA PHE A 42 2.477 -2.933 6.386 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.243 -5.127 5.876 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.402 -5.307 4.574 1.00 0.26 H new ATOM 0 HD1 PHE A 42 2.105 -4.852 8.245 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.628 -6.017 5.017 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.749 -5.717 9.847 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.276 -6.887 6.621 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.838 -6.739 9.038 1.00 0.60 H new ATOM 635 N LYS A 43 4.376 -2.301 4.889 1.00 0.28 N ATOM 636 CA LYS A 43 5.410 -1.807 4.038 1.00 0.31 C ATOM 637 C LYS A 43 6.559 -2.779 4.192 1.00 0.39 C ATOM 638 O LYS A 43 6.624 -3.400 5.237 1.00 0.81 O ATOM 639 CB LYS A 43 5.797 -0.343 4.394 1.00 0.40 C ATOM 640 CG LYS A 43 7.150 0.087 3.869 1.00 0.54 C ATOM 641 CD LYS A 43 7.670 1.329 4.548 1.00 0.67 C ATOM 642 CE LYS A 43 8.844 1.887 3.771 1.00 1.29 C ATOM 643 NZ LYS A 43 9.812 0.822 3.382 1.00 2.17 N ATOM 0 H LYS A 43 4.513 -2.108 5.881 1.00 0.28 H new ATOM 0 HA LYS A 43 5.091 -1.754 2.997 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.036 0.329 3.997 1.00 0.40 H new ATOM 0 HB3 LYS A 43 5.788 -0.230 5.478 1.00 0.40 H new ATOM 0 HG2 LYS A 43 7.864 -0.725 4.009 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.078 0.267 2.796 1.00 0.54 H new ATOM 0 HD2 LYS A 43 6.879 2.076 4.615 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.975 1.096 5.568 1.00 0.67 H new ATOM 0 HE2 LYS A 43 8.480 2.391 2.876 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.354 2.638 4.374 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.783 1.183 3.478 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.687 -0.004 4.002 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 9.642 0.543 2.395 1.00 2.17 H new ATOM 657 N GLY A 44 7.506 -2.756 3.244 1.00 0.64 N ATOM 658 CA GLY A 44 8.656 -3.679 3.130 1.00 0.92 C ATOM 659 C GLY A 44 8.884 -4.723 4.239 1.00 0.39 C ATOM 660 O GLY A 44 7.957 -5.212 4.822 1.00 1.23 O ATOM 0 H GLY A 44 7.495 -2.061 2.497 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.555 -4.216 2.187 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.559 -3.073 3.057 1.00 0.92 H new ATOM 664 N LYS A 45 10.064 -5.324 4.248 1.00 0.85 N ATOM 665 CA LYS A 45 10.332 -6.551 5.029 1.00 1.06 C ATOM 666 C LYS A 45 9.729 -6.585 6.455 1.00 0.74 C ATOM 667 O LYS A 45 9.600 -7.671 7.022 1.00 0.82 O ATOM 668 CB LYS A 45 11.849 -6.733 5.165 1.00 1.67 C ATOM 669 CG LYS A 45 12.451 -7.777 4.241 1.00 2.44 C ATOM 670 CD LYS A 45 13.958 -7.875 4.442 1.00 2.82 C ATOM 671 CE LYS A 45 14.307 -8.260 5.873 1.00 2.98 C ATOM 672 NZ LYS A 45 13.924 -9.662 6.185 1.00 3.87 N ATOM 0 H LYS A 45 10.869 -4.987 3.720 1.00 0.85 H new ATOM 0 HA LYS A 45 9.846 -7.351 4.470 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.334 -5.776 4.974 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.077 -7.005 6.195 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.991 -8.746 4.432 1.00 2.44 H new ATOM 0 HG3 LYS A 45 12.234 -7.520 3.204 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.370 -8.614 3.755 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.421 -6.919 4.198 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.378 -8.134 6.031 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.801 -7.585 6.563 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 14.210 -9.892 7.158 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 12.894 -9.769 6.093 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 14.400 -10.307 5.523 1.00 3.87 H new ATOM 686 N TRP A 46 9.337 -5.449 7.039 1.00 0.58 N ATOM 687 CA TRP A 46 8.820 -5.463 8.407 1.00 0.57 C ATOM 688 C TRP A 46 8.108 -4.183 8.824 1.00 0.63 C ATOM 689 O TRP A 46 7.669 -4.055 9.968 1.00 0.74 O ATOM 690 CB TRP A 46 9.974 -5.630 9.347 1.00 0.76 C ATOM 691 CG TRP A 46 11.124 -4.742 9.010 1.00 0.97 C ATOM 692 CD1 TRP A 46 12.146 -5.017 8.155 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.354 -3.425 9.508 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.991 -3.944 8.072 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.528 -2.952 8.901 1.00 1.42 C ATOM 696 CE3 TRP A 46 10.674 -2.598 10.405 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.036 -1.684 9.165 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.177 -1.345 10.668 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.344 -0.895 10.050 1.00 2.11 C ATOM 0 H TRP A 46 9.367 -4.530 6.598 1.00 0.58 H new ATOM 0 HA TRP A 46 8.096 -6.277 8.444 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.643 -5.419 10.364 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.305 -6.668 9.329 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.272 -5.947 7.620 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.827 -3.890 7.490 1.00 1.38 H new ATOM 0 HE3 TRP A 46 9.768 -2.937 10.885 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 13.941 -1.333 8.691 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 10.661 -0.700 11.363 1.00 2.10 H new ATOM 0 HH2 TRP A 46 12.711 0.096 10.273 1.00 2.11 H new ATOM 710 N VAL A 47 7.996 -3.256 7.919 1.00 0.63 N ATOM 711 CA VAL A 47 7.680 -1.907 8.254 1.00 0.74 C ATOM 712 C VAL A 47 6.203 -1.653 8.253 1.00 0.59 C ATOM 713 O VAL A 47 5.511 -1.740 7.244 1.00 0.57 O ATOM 714 CB VAL A 47 8.329 -0.897 7.319 1.00 0.90 C ATOM 715 CG1 VAL A 47 9.218 0.027 8.113 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.127 -1.575 6.224 1.00 1.29 C ATOM 0 H VAL A 47 8.123 -3.421 6.920 1.00 0.63 H new ATOM 0 HA VAL A 47 8.079 -1.773 9.259 1.00 0.74 H new ATOM 0 HB VAL A 47 7.536 -0.324 6.838 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.682 0.750 7.443 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.622 0.554 8.858 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.993 -0.554 8.613 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.574 -0.819 5.578 1.00 1.29 H new ATOM 0 HG22 VAL A 47 9.914 -2.182 6.670 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.468 -2.212 5.634 1.00 1.29 H new ATOM 726 N ASP A 48 5.765 -1.321 9.405 1.00 0.60 N ATOM 727 CA ASP A 48 4.413 -0.928 9.662 1.00 0.56 C ATOM 728 C ASP A 48 4.206 0.541 9.383 1.00 0.58 C ATOM 729 O ASP A 48 4.484 1.386 10.228 1.00 0.96 O ATOM 730 CB ASP A 48 4.061 -1.191 11.102 1.00 0.73 C ATOM 731 CG ASP A 48 5.225 -1.077 12.070 1.00 1.88 C ATOM 732 OD1 ASP A 48 6.211 -1.829 11.934 1.00 2.73 O ATOM 733 OD2 ASP A 48 5.150 -0.230 12.985 1.00 2.22 O ATOM 0 H ASP A 48 6.354 -1.311 10.238 1.00 0.60 H new ATOM 0 HA ASP A 48 3.773 -1.513 9.001 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.283 -0.490 11.406 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.637 -2.192 11.181 1.00 0.73 H new ATOM 738 N LEU A 49 3.678 0.832 8.216 1.00 0.39 N ATOM 739 CA LEU A 49 3.527 2.207 7.750 1.00 0.35 C ATOM 740 C LEU A 49 2.870 3.109 8.784 1.00 0.41 C ATOM 741 O LEU A 49 3.288 4.240 8.951 1.00 0.44 O ATOM 742 CB LEU A 49 2.715 2.272 6.454 1.00 0.29 C ATOM 743 CG LEU A 49 3.328 1.606 5.225 1.00 0.25 C ATOM 744 CD1 LEU A 49 2.747 0.247 4.987 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.081 2.413 3.987 1.00 0.28 C ATOM 0 H LEU A 49 3.339 0.130 7.558 1.00 0.39 H new ATOM 0 HA LEU A 49 4.540 2.568 7.570 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.743 1.815 6.639 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.535 3.321 6.218 1.00 0.29 H new ATOM 0 HG LEU A 49 4.397 1.531 5.427 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.208 -0.196 4.104 1.00 0.36 H new ATOM 0 HD12 LEU A 49 2.938 -0.387 5.853 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.672 0.333 4.831 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.530 1.911 3.130 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.008 2.514 3.827 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.525 3.402 4.103 1.00 0.28 H new ATOM 757 N SER A 50 1.924 2.585 9.535 1.00 0.48 N ATOM 758 CA SER A 50 1.074 3.392 10.383 1.00 0.58 C ATOM 759 C SER A 50 1.928 4.159 11.367 1.00 0.62 C ATOM 760 O SER A 50 1.506 5.179 11.910 1.00 0.70 O ATOM 761 CB SER A 50 0.070 2.493 11.111 1.00 0.73 C ATOM 762 OG SER A 50 -0.910 3.250 11.805 1.00 1.23 O ATOM 0 H SER A 50 1.723 1.586 9.574 1.00 0.48 H new ATOM 0 HA SER A 50 0.517 4.107 9.778 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.420 1.838 10.391 1.00 0.73 H new ATOM 0 HB3 SER A 50 0.600 1.852 11.816 1.00 0.73 H new ATOM 0 HG SER A 50 -1.534 2.643 12.256 1.00 1.23 H new ATOM 768 N SER A 51 3.132 3.652 11.601 1.00 0.64 N ATOM 769 CA SER A 51 4.029 4.314 12.479 1.00 0.75 C ATOM 770 C SER A 51 5.109 5.112 11.739 1.00 0.72 C ATOM 771 O SER A 51 5.621 6.111 12.247 1.00 0.85 O ATOM 772 CB SER A 51 4.648 3.317 13.441 1.00 0.90 C ATOM 773 OG SER A 51 3.746 2.996 14.489 1.00 1.34 O ATOM 0 H SER A 51 3.488 2.790 11.188 1.00 0.64 H new ATOM 0 HA SER A 51 3.448 5.043 13.044 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.924 2.410 12.903 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.565 3.731 13.860 1.00 0.90 H new ATOM 0 HG SER A 51 4.166 2.351 15.096 1.00 1.34 H new ATOM 779 N LYS A 52 5.445 4.664 10.542 1.00 0.62 N ATOM 780 CA LYS A 52 6.574 5.194 9.798 1.00 0.66 C ATOM 781 C LYS A 52 6.155 6.359 8.914 1.00 0.67 C ATOM 782 O LYS A 52 6.846 7.371 8.841 1.00 1.09 O ATOM 783 CB LYS A 52 7.192 4.096 8.925 1.00 0.65 C ATOM 784 CG LYS A 52 6.888 2.662 9.345 1.00 0.70 C ATOM 785 CD LYS A 52 7.229 2.363 10.809 1.00 0.78 C ATOM 786 CE LYS A 52 8.727 2.282 11.045 1.00 1.02 C ATOM 787 NZ LYS A 52 9.056 2.139 12.489 1.00 1.40 N ATOM 0 H LYS A 52 4.941 3.921 10.058 1.00 0.62 H new ATOM 0 HA LYS A 52 7.309 5.551 10.520 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.846 4.235 7.901 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.274 4.230 8.917 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.830 2.461 9.179 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.446 1.979 8.704 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.804 3.140 11.445 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.765 1.421 11.103 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.136 1.435 10.494 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.205 3.179 10.651 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 10.088 2.087 12.606 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.689 2.960 13.012 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.621 1.270 12.860 1.00 1.40 H new ATOM 801 N VAL A 53 5.040 6.132 8.226 1.00 0.34 N ATOM 802 CA VAL A 53 4.365 7.069 7.331 1.00 0.32 C ATOM 803 C VAL A 53 4.704 8.505 7.629 1.00 0.33 C ATOM 804 O VAL A 53 4.125 9.171 8.491 1.00 0.37 O ATOM 805 CB VAL A 53 2.844 6.805 7.336 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.042 7.887 6.643 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.567 5.504 6.637 1.00 0.35 C ATOM 0 H VAL A 53 4.554 5.237 8.281 1.00 0.34 H new ATOM 0 HA VAL A 53 4.735 6.893 6.321 1.00 0.32 H new ATOM 0 HB VAL A 53 2.537 6.783 8.382 1.00 0.32 H new ATOM 0 HG11 VAL A 53 0.982 7.637 6.684 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.209 8.841 7.143 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.357 7.963 5.602 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.494 5.312 6.637 1.00 0.35 H new ATOM 0 HG22 VAL A 53 2.925 5.560 5.609 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.080 4.695 7.157 1.00 0.35 H new ATOM 817 N GLY A 54 5.708 8.928 6.906 1.00 0.35 N ATOM 818 CA GLY A 54 6.243 10.263 7.053 1.00 0.41 C ATOM 819 C GLY A 54 7.211 10.645 5.948 1.00 0.44 C ATOM 820 O GLY A 54 6.888 10.531 4.767 1.00 0.70 O ATOM 0 H GLY A 54 6.179 8.362 6.200 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.420 10.977 7.069 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.751 10.340 8.014 1.00 0.41 H new ATOM 824 N GLN A 55 8.419 11.046 6.342 1.00 0.36 N ATOM 825 CA GLN A 55 9.388 11.666 5.427 1.00 0.43 C ATOM 826 C GLN A 55 9.717 10.792 4.218 1.00 0.39 C ATOM 827 O GLN A 55 9.640 11.250 3.082 1.00 0.50 O ATOM 828 CB GLN A 55 10.683 11.996 6.176 1.00 0.61 C ATOM 829 CG GLN A 55 11.726 12.691 5.313 1.00 1.43 C ATOM 830 CD GLN A 55 13.078 12.784 5.995 1.00 2.08 C ATOM 831 OE1 GLN A 55 13.353 13.734 6.724 1.00 2.75 O ATOM 832 NE2 GLN A 55 13.937 11.804 5.754 1.00 2.69 N ATOM 0 H GLN A 55 8.757 10.953 7.300 1.00 0.36 H new ATOM 0 HA GLN A 55 8.919 12.576 5.053 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.447 12.632 7.029 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.108 11.074 6.573 1.00 0.61 H new ATOM 0 HG2 GLN A 55 11.834 12.150 4.373 1.00 1.43 H new ATOM 0 HG3 GLN A 55 11.378 13.694 5.066 1.00 1.43 H new ATOM 0 HE21 GLN A 55 13.671 11.032 5.143 1.00 2.69 H new ATOM 0 HE22 GLN A 55 14.864 11.822 6.180 1.00 2.69 H new ATOM 841 N HIS A 56 10.105 9.548 4.459 1.00 0.36 N ATOM 842 CA HIS A 56 10.584 8.688 3.374 1.00 0.41 C ATOM 843 C HIS A 56 9.453 7.926 2.703 1.00 0.35 C ATOM 844 O HIS A 56 9.449 7.749 1.496 1.00 0.42 O ATOM 845 CB HIS A 56 11.644 7.716 3.886 1.00 0.54 C ATOM 846 CG HIS A 56 11.164 6.786 4.953 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.653 5.539 4.686 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.109 6.934 6.294 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.300 4.963 5.819 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.569 5.785 6.812 1.00 1.33 N ATOM 0 H HIS A 56 10.100 9.111 5.381 1.00 0.36 H new ATOM 0 HA HIS A 56 11.030 9.340 2.623 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.015 7.127 3.047 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.488 8.288 4.272 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.431 7.799 6.855 1.00 1.06 H new ATOM 0 HE1 HIS A 56 9.863 3.980 5.916 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.403 5.598 7.801 1.00 1.33 H new ATOM 859 N LEU A 57 8.505 7.478 3.493 1.00 0.28 N ATOM 860 CA LEU A 57 7.321 6.841 2.988 1.00 0.25 C ATOM 861 C LEU A 57 6.120 7.581 3.517 1.00 0.23 C ATOM 862 O LEU A 57 5.840 7.576 4.704 1.00 0.29 O ATOM 863 CB LEU A 57 7.347 5.326 3.306 1.00 0.38 C ATOM 864 CG LEU A 57 6.077 4.566 3.797 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.875 4.760 5.283 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.832 4.959 3.014 1.00 1.10 C ATOM 0 H LEU A 57 8.538 7.548 4.510 1.00 0.28 H new ATOM 0 HA LEU A 57 7.268 6.893 1.901 1.00 0.25 H new ATOM 0 HB2 LEU A 57 7.687 4.820 2.402 1.00 0.38 H new ATOM 0 HB3 LEU A 57 8.116 5.176 4.064 1.00 0.38 H new ATOM 0 HG LEU A 57 6.243 3.505 3.611 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.983 4.221 5.602 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.742 4.378 5.821 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.753 5.822 5.498 1.00 1.11 H new ATOM 0 HD21 LEU A 57 3.974 4.404 3.392 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.652 6.028 3.129 1.00 1.10 H new ATOM 0 HD23 LEU A 57 4.978 4.727 1.959 1.00 1.10 H new ATOM 878 N GLN A 58 5.467 8.278 2.625 1.00 0.20 N ATOM 879 CA GLN A 58 4.189 8.821 2.886 1.00 0.21 C ATOM 880 C GLN A 58 3.190 7.825 2.369 1.00 0.18 C ATOM 881 O GLN A 58 3.120 7.547 1.178 1.00 0.19 O ATOM 882 CB GLN A 58 3.986 10.155 2.154 1.00 0.27 C ATOM 883 CG GLN A 58 5.103 11.168 2.338 1.00 0.46 C ATOM 884 CD GLN A 58 6.250 10.995 1.362 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.211 11.514 0.248 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.294 10.315 1.791 1.00 0.28 N ATOM 0 H GLN A 58 5.824 8.479 1.691 1.00 0.20 H new ATOM 0 HA GLN A 58 4.075 9.010 3.953 1.00 0.21 H new ATOM 0 HB2 GLN A 58 3.871 9.953 1.089 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.052 10.601 2.496 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.693 12.172 2.228 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.488 11.090 3.355 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.285 9.900 2.723 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.111 10.203 1.191 1.00 0.28 H new ATOM 895 N LEU A 59 2.442 7.297 3.273 1.00 0.20 N ATOM 896 CA LEU A 59 1.304 6.483 2.943 1.00 0.20 C ATOM 897 C LEU A 59 0.130 7.440 2.981 1.00 0.21 C ATOM 898 O LEU A 59 -0.441 7.723 4.032 1.00 0.23 O ATOM 899 CB LEU A 59 1.159 5.322 3.957 1.00 0.23 C ATOM 900 CG LEU A 59 0.197 4.172 3.634 1.00 0.23 C ATOM 901 CD1 LEU A 59 -0.033 3.401 4.916 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.108 4.668 3.028 1.00 0.23 C ATOM 0 H LEU A 59 2.596 7.413 4.275 1.00 0.20 H new ATOM 0 HA LEU A 59 1.386 6.003 1.968 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.149 4.891 4.108 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.850 5.753 4.909 1.00 0.23 H new ATOM 0 HG LEU A 59 0.636 3.522 2.877 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.715 2.572 4.725 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.917 3.012 5.282 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.467 4.063 5.666 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.757 3.818 2.816 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.604 5.337 3.731 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.899 5.204 2.102 1.00 0.23 H new ATOM 914 N HIS A 60 -0.157 7.980 1.821 1.00 0.22 N ATOM 915 CA HIS A 60 -1.192 8.934 1.627 1.00 0.25 C ATOM 916 C HIS A 60 -2.395 8.284 1.035 1.00 0.24 C ATOM 917 O HIS A 60 -2.381 7.143 0.603 1.00 0.26 O ATOM 918 CB HIS A 60 -0.751 10.100 0.748 1.00 0.37 C ATOM 919 CG HIS A 60 -0.266 11.291 1.515 1.00 0.79 C ATOM 920 ND1 HIS A 60 -0.464 12.581 1.088 1.00 1.48 N ATOM 921 CD2 HIS A 60 0.413 11.385 2.683 1.00 1.65 C ATOM 922 CE1 HIS A 60 0.072 13.416 1.955 1.00 1.91 C ATOM 923 NE2 HIS A 60 0.609 12.721 2.938 1.00 2.03 N ATOM 0 H HIS A 60 0.348 7.751 0.965 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.439 9.337 2.609 1.00 0.25 H new ATOM 0 HB2 HIS A 60 0.043 9.761 0.083 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.587 10.403 0.117 1.00 0.37 H new ATOM 0 HD2 HIS A 60 0.740 10.562 3.300 1.00 1.65 H new ATOM 0 HE1 HIS A 60 0.071 14.493 1.874 1.00 1.91 H new ATOM 0 HE2 HIS A 60 1.089 13.109 3.750 1.00 2.03 H new ATOM 932 N ASP A 61 -3.423 9.036 1.097 1.00 0.29 N ATOM 933 CA ASP A 61 -4.721 8.658 0.657 1.00 0.32 C ATOM 934 C ASP A 61 -5.355 9.779 -0.092 1.00 0.35 C ATOM 935 O ASP A 61 -5.456 10.922 0.360 1.00 0.48 O ATOM 936 CB ASP A 61 -5.622 8.251 1.791 1.00 0.44 C ATOM 937 CG ASP A 61 -5.368 9.014 3.075 1.00 0.54 C ATOM 938 OD1 ASP A 61 -5.940 10.113 3.249 1.00 0.92 O ATOM 939 OD2 ASP A 61 -4.587 8.522 3.919 1.00 0.73 O ATOM 0 H ASP A 61 -3.388 9.983 1.475 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.592 7.792 0.008 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.659 8.399 1.490 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.494 7.185 1.981 1.00 0.44 H new ATOM 944 N SER A 62 -5.732 9.411 -1.254 1.00 0.29 N ATOM 945 CA SER A 62 -6.509 10.246 -2.133 1.00 0.32 C ATOM 946 C SER A 62 -7.955 9.893 -1.925 1.00 0.32 C ATOM 947 O SER A 62 -8.282 8.746 -1.618 1.00 0.41 O ATOM 948 CB SER A 62 -6.132 10.052 -3.598 1.00 0.40 C ATOM 949 OG SER A 62 -4.738 9.828 -3.748 1.00 0.47 O ATOM 0 H SER A 62 -5.511 8.496 -1.648 1.00 0.29 H new ATOM 0 HA SER A 62 -6.314 11.292 -1.898 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.684 9.207 -4.009 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.424 10.932 -4.170 1.00 0.40 H new ATOM 0 HG SER A 62 -4.507 8.948 -3.384 1.00 0.47 H new ATOM 955 N TYR A 63 -8.816 10.854 -2.084 1.00 0.38 N ATOM 956 CA TYR A 63 -10.195 10.644 -1.767 1.00 0.45 C ATOM 957 C TYR A 63 -11.081 11.209 -2.831 1.00 0.47 C ATOM 958 O TYR A 63 -11.360 12.407 -2.886 1.00 0.54 O ATOM 959 CB TYR A 63 -10.499 11.226 -0.400 1.00 0.64 C ATOM 960 CG TYR A 63 -11.896 10.985 0.128 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.669 9.939 -0.362 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.452 11.812 1.088 1.00 0.87 C ATOM 963 CE1 TYR A 63 -13.954 9.725 0.097 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.736 11.608 1.548 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.441 10.520 1.145 1.00 1.07 C ATOM 966 OH TYR A 63 -15.768 10.364 1.511 1.00 1.39 O ATOM 0 H TYR A 63 -8.588 11.786 -2.430 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.397 9.573 -1.730 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -9.786 10.815 0.315 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.327 12.302 -0.439 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.258 9.282 -1.114 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.870 12.631 1.484 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.574 8.958 -0.344 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.182 12.316 2.231 1.00 1.06 H new ATOM 0 HH TYR A 63 -15.977 10.973 2.250 1.00 1.39 H new ATOM 976 N ASP A 64 -11.488 10.315 -3.685 1.00 0.47 N ATOM 977 CA ASP A 64 -12.442 10.595 -4.701 1.00 0.57 C ATOM 978 C ASP A 64 -13.690 9.809 -4.415 1.00 0.57 C ATOM 979 O ASP A 64 -13.739 8.598 -4.596 1.00 0.63 O ATOM 980 CB ASP A 64 -11.899 10.192 -6.035 1.00 0.71 C ATOM 981 CG ASP A 64 -10.843 11.134 -6.577 1.00 1.53 C ATOM 982 OD1 ASP A 64 -9.645 10.920 -6.279 1.00 2.42 O ATOM 983 OD2 ASP A 64 -11.200 12.104 -7.275 1.00 2.00 O ATOM 0 H ASP A 64 -11.154 9.351 -3.688 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.662 11.663 -4.715 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.474 9.191 -5.956 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -12.721 10.134 -6.749 1.00 0.71 H new ATOM 988 N ARG A 65 -14.675 10.498 -3.949 1.00 0.60 N ATOM 989 CA ARG A 65 -15.938 9.896 -3.595 1.00 0.64 C ATOM 990 C ARG A 65 -16.823 9.767 -4.816 1.00 0.74 C ATOM 991 O ARG A 65 -17.487 8.752 -5.022 1.00 0.88 O ATOM 992 CB ARG A 65 -16.622 10.732 -2.526 1.00 0.74 C ATOM 993 CG ARG A 65 -16.936 9.922 -1.300 1.00 0.86 C ATOM 994 CD ARG A 65 -17.942 8.835 -1.623 1.00 1.00 C ATOM 995 NE ARG A 65 -19.323 9.340 -1.660 1.00 1.19 N ATOM 996 CZ ARG A 65 -19.936 10.005 -0.662 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.277 10.363 0.437 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.220 10.326 -0.776 1.00 2.07 N ATOM 0 H ARG A 65 -14.637 11.506 -3.797 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.757 8.896 -3.200 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -15.980 11.570 -2.254 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.543 11.154 -2.929 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.022 9.475 -0.909 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.332 10.572 -0.520 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.695 8.390 -2.587 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -17.868 8.043 -0.878 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.860 9.173 -2.511 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.288 10.134 0.536 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -19.761 10.866 1.181 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.737 10.069 -1.617 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -21.689 10.830 -0.023 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.800 10.805 -5.614 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.522 10.849 -6.879 1.00 0.93 C ATOM 1014 C ALA A 66 -16.889 9.916 -7.902 1.00 0.83 C ATOM 1015 O ALA A 66 -17.532 9.484 -8.856 1.00 0.92 O ATOM 1016 CB ALA A 66 -17.564 12.271 -7.412 1.00 1.15 C ATOM 0 H ALA A 66 -16.277 11.656 -5.409 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.543 10.511 -6.700 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -18.106 12.289 -8.357 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -18.069 12.915 -6.692 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -16.547 12.631 -7.570 1.00 1.15 H new ATOM 1022 N SER A 67 -15.624 9.601 -7.690 1.00 0.72 N ATOM 1023 CA SER A 67 -14.930 8.658 -8.539 1.00 0.72 C ATOM 1024 C SER A 67 -14.964 7.320 -7.844 1.00 0.58 C ATOM 1025 O SER A 67 -14.735 6.275 -8.454 1.00 0.63 O ATOM 1026 CB SER A 67 -13.490 9.110 -8.803 1.00 0.83 C ATOM 1027 OG SER A 67 -12.824 8.222 -9.685 1.00 1.41 O ATOM 0 H SER A 67 -15.058 9.987 -6.935 1.00 0.72 H new ATOM 0 HA SER A 67 -15.416 8.591 -9.512 1.00 0.72 H new ATOM 0 HB2 SER A 67 -13.494 10.113 -9.229 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.946 9.166 -7.860 1.00 0.83 H new ATOM 0 HG SER A 67 -11.908 8.537 -9.836 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.275 7.388 -6.551 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.492 6.216 -5.731 1.00 0.50 C ATOM 1035 C LYS A 68 -14.191 5.441 -5.533 1.00 0.44 C ATOM 1036 O LYS A 68 -14.200 4.232 -5.319 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.562 5.350 -6.388 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.154 4.284 -5.491 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.160 4.843 -4.492 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.491 5.541 -3.306 1.00 2.27 C ATOM 1041 NZ LYS A 68 -18.457 5.794 -2.203 1.00 3.31 N ATOM 0 H LYS A 68 -15.382 8.268 -6.047 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.834 6.518 -4.741 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.366 5.996 -6.741 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.131 4.868 -7.266 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.642 3.528 -6.106 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.351 3.784 -4.950 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.816 5.549 -5.001 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.788 4.032 -4.124 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -16.670 4.926 -2.937 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.059 6.486 -3.636 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -17.939 6.061 -1.342 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -19.099 6.566 -2.474 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -19.010 4.932 -2.021 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.075 6.154 -5.560 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.783 5.537 -5.384 1.00 0.31 C ATOM 1057 C VAL A 69 -11.011 6.284 -4.330 1.00 0.29 C ATOM 1058 O VAL A 69 -10.856 7.504 -4.385 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.928 5.550 -6.656 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.824 4.512 -6.565 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.759 5.338 -7.908 1.00 0.43 C ATOM 0 H VAL A 69 -13.046 7.163 -5.703 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.978 4.502 -5.105 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.478 6.540 -6.733 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.227 4.535 -7.477 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.187 4.732 -5.708 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.264 3.522 -6.445 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.109 5.355 -8.783 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.265 4.374 -7.850 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.501 6.132 -7.991 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.548 5.549 -3.369 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.629 6.068 -2.404 1.00 0.25 C ATOM 1073 C TYR A 70 -8.277 5.510 -2.748 1.00 0.22 C ATOM 1074 O TYR A 70 -8.024 4.313 -2.611 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.983 5.679 -0.975 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.457 5.799 -0.620 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.304 6.640 -1.331 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.996 5.076 0.438 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.639 6.755 -1.007 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -13.336 5.191 0.773 1.00 1.24 C ATOM 1081 CZ TYR A 70 -14.152 6.035 0.045 1.00 0.76 C ATOM 1082 OH TYR A 70 -15.489 6.154 0.363 1.00 0.93 O ATOM 0 H TYR A 70 -10.797 4.570 -3.230 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.656 7.157 -2.442 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.667 4.649 -0.806 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -9.409 6.305 -0.292 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.908 7.216 -2.155 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -11.361 4.414 1.008 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.280 7.410 -1.579 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.740 4.624 1.599 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.695 5.580 1.130 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.435 6.363 -3.230 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.127 5.954 -3.641 1.00 0.19 C ATOM 1094 C LEU A 71 -5.160 6.173 -2.521 1.00 0.20 C ATOM 1095 O LEU A 71 -4.729 7.285 -2.239 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.629 6.700 -4.874 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.166 6.389 -5.206 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -4.013 4.971 -5.729 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.586 7.397 -6.178 1.00 0.52 C ATOM 0 H LEU A 71 -7.629 7.357 -3.351 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.194 4.898 -3.902 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.254 6.439 -5.728 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.740 7.772 -4.714 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.598 6.468 -4.279 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.965 4.778 -5.956 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.356 4.265 -4.973 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.609 4.851 -6.634 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.547 7.143 -6.389 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.159 7.380 -7.105 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -3.634 8.394 -5.740 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.806 5.099 -1.914 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.764 5.100 -0.956 1.00 0.21 C ATOM 1113 C PHE A 72 -2.467 4.973 -1.711 1.00 0.23 C ATOM 1114 O PHE A 72 -2.171 3.962 -2.340 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.943 3.958 0.009 1.00 0.25 C ATOM 1116 CG PHE A 72 -5.158 4.074 0.886 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -6.396 3.638 0.440 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -5.061 4.618 2.155 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.514 3.743 1.242 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -6.177 4.724 2.963 1.00 0.33 C ATOM 1121 CZ PHE A 72 -7.405 4.287 2.506 1.00 0.30 C ATOM 0 H PHE A 72 -5.236 4.187 -2.070 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.771 6.019 -0.370 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -4.004 3.027 -0.555 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -3.058 3.890 0.642 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.487 3.211 -0.548 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -4.104 4.963 2.517 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -8.473 3.400 0.881 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -6.089 5.149 3.952 1.00 0.33 H new ATOM 0 HZ PHE A 72 -8.278 4.371 3.136 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.723 6.015 -1.640 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.516 6.162 -2.407 1.00 0.26 C ATOM 1133 C GLU A 73 0.672 6.248 -1.503 1.00 0.20 C ATOM 1134 O GLU A 73 0.746 7.074 -0.592 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.556 7.388 -3.311 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.114 8.636 -2.637 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.846 9.906 -3.422 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -1.377 10.032 -4.549 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -0.105 10.776 -2.926 1.00 1.32 O ATOM 0 H GLU A 73 -1.930 6.812 -1.038 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.433 5.279 -3.040 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.453 7.599 -3.665 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.161 7.160 -4.189 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.189 8.519 -2.503 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -0.677 8.731 -1.643 1.00 0.59 H new ATOM 1146 N LEU A 74 1.595 5.382 -1.769 1.00 0.21 N ATOM 1147 CA LEU A 74 2.828 5.364 -1.067 1.00 0.21 C ATOM 1148 C LEU A 74 3.782 6.197 -1.824 1.00 0.20 C ATOM 1149 O LEU A 74 3.933 6.067 -3.039 1.00 0.25 O ATOM 1150 CB LEU A 74 3.446 3.977 -0.958 1.00 0.27 C ATOM 1151 CG LEU A 74 2.600 2.912 -0.269 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.443 2.095 0.678 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.405 3.512 0.461 1.00 0.96 C ATOM 0 H LEU A 74 1.509 4.662 -2.487 1.00 0.21 H new ATOM 0 HA LEU A 74 2.630 5.724 -0.057 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.683 3.628 -1.963 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.390 4.065 -0.420 1.00 0.27 H new ATOM 0 HG LEU A 74 2.208 2.257 -1.048 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.821 1.340 1.160 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.243 1.605 0.123 1.00 0.85 H new ATOM 0 HD13 LEU A 74 3.875 2.748 1.437 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.832 2.716 0.936 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.756 4.210 1.221 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.771 4.040 -0.251 1.00 0.96 H new ATOM 1165 N HIS A 75 4.427 7.025 -1.117 1.00 0.18 N ATOM 1166 CA HIS A 75 5.557 7.690 -1.665 1.00 0.19 C ATOM 1167 C HIS A 75 6.680 7.296 -0.789 1.00 0.19 C ATOM 1168 O HIS A 75 6.870 7.856 0.282 1.00 0.19 O ATOM 1169 CB HIS A 75 5.381 9.208 -1.708 1.00 0.23 C ATOM 1170 CG HIS A 75 4.273 9.649 -2.607 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.478 10.111 -3.887 1.00 1.01 N ATOM 1172 CD2 HIS A 75 2.942 9.696 -2.401 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.317 10.427 -4.427 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.370 10.184 -3.546 1.00 0.94 N ATOM 0 H HIS A 75 4.202 7.269 -0.152 1.00 0.18 H new ATOM 0 HA HIS A 75 5.722 7.407 -2.705 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.188 9.573 -0.699 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.313 9.666 -2.040 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.423 9.403 -1.500 1.00 1.15 H new ATOM 0 HE1 HIS A 75 3.169 10.818 -5.423 1.00 0.88 H new ATOM 0 HE2 HIS A 75 1.372 10.335 -3.692 1.00 0.94 H new ATOM 1183 N ILE A 76 7.394 6.299 -1.230 1.00 0.21 N ATOM 1184 CA ILE A 76 8.436 5.748 -0.432 1.00 0.23 C ATOM 1185 C ILE A 76 9.721 5.838 -1.187 1.00 0.25 C ATOM 1186 O ILE A 76 10.038 5.024 -2.031 1.00 0.28 O ATOM 1187 CB ILE A 76 8.165 4.292 -0.084 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.777 4.108 0.527 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.247 3.758 0.853 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.575 2.718 1.062 1.00 0.52 C ATOM 0 H ILE A 76 7.268 5.855 -2.140 1.00 0.21 H new ATOM 0 HA ILE A 76 8.491 6.314 0.498 1.00 0.23 H new ATOM 0 HB ILE A 76 8.191 3.717 -1.010 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.637 4.830 1.332 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.019 4.320 -0.227 1.00 0.29 H new ATOM 0 HG21 ILE A 76 9.039 2.715 1.093 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.219 3.831 0.365 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.256 4.346 1.771 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.575 2.633 1.487 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.688 1.997 0.253 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.316 2.515 1.835 1.00 0.52 H new ATOM 1202 N THR A 77 10.458 6.814 -0.857 1.00 0.24 N ATOM 1203 CA THR A 77 11.638 7.096 -1.531 1.00 0.26 C ATOM 1204 C THR A 77 12.799 6.589 -0.770 1.00 0.36 C ATOM 1205 O THR A 77 12.721 6.250 0.416 1.00 0.58 O ATOM 1206 CB THR A 77 11.804 8.591 -1.771 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.831 9.296 -0.522 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.666 9.084 -2.625 1.00 0.37 C ATOM 0 H THR A 77 10.248 7.453 -0.090 1.00 0.24 H new ATOM 0 HA THR A 77 11.587 6.597 -2.498 1.00 0.26 H new ATOM 0 HB THR A 77 12.748 8.772 -2.285 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.739 9.274 -0.154 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.779 10.154 -2.800 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.673 8.557 -3.579 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.721 8.898 -2.115 1.00 0.37 H new ATOM 1216 N ASP A 78 13.845 6.564 -1.516 1.00 0.30 N ATOM 1217 CA ASP A 78 15.149 6.133 -1.103 1.00 0.45 C ATOM 1218 C ASP A 78 15.093 5.004 -0.117 1.00 0.45 C ATOM 1219 O ASP A 78 15.278 5.135 1.091 1.00 0.70 O ATOM 1220 CB ASP A 78 15.992 7.275 -0.631 1.00 0.61 C ATOM 1221 CG ASP A 78 15.366 8.127 0.465 1.00 1.44 C ATOM 1222 OD1 ASP A 78 14.530 8.996 0.149 1.00 2.12 O ATOM 1223 OD2 ASP A 78 15.690 7.907 1.659 1.00 1.97 O ATOM 0 H ASP A 78 13.820 6.860 -2.492 1.00 0.30 H new ATOM 0 HA ASP A 78 15.644 5.731 -1.987 1.00 0.45 H new ATOM 0 HB2 ASP A 78 16.941 6.880 -0.267 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.219 7.916 -1.483 1.00 0.61 H new ATOM 1228 N ALA A 79 14.800 3.897 -0.706 1.00 0.37 N ATOM 1229 CA ALA A 79 14.687 2.633 -0.020 1.00 0.34 C ATOM 1230 C ALA A 79 16.036 2.220 0.532 1.00 0.38 C ATOM 1231 O ALA A 79 16.926 1.852 -0.221 1.00 0.40 O ATOM 1232 CB ALA A 79 14.150 1.572 -0.968 1.00 0.34 C ATOM 0 H ALA A 79 14.625 3.832 -1.709 1.00 0.37 H new ATOM 0 HA ALA A 79 13.990 2.739 0.811 1.00 0.34 H new ATOM 0 HB1 ALA A 79 14.068 0.621 -0.441 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.167 1.872 -1.330 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.830 1.461 -1.813 1.00 0.34 H new ATOM 1238 N GLN A 80 16.192 2.340 1.835 1.00 0.47 N ATOM 1239 CA GLN A 80 17.390 1.871 2.514 1.00 0.55 C ATOM 1240 C GLN A 80 17.550 0.374 2.260 1.00 0.43 C ATOM 1241 O GLN A 80 16.559 -0.338 2.139 1.00 0.43 O ATOM 1242 CB GLN A 80 17.265 2.206 4.010 1.00 0.74 C ATOM 1243 CG GLN A 80 17.192 1.010 4.956 1.00 0.78 C ATOM 1244 CD GLN A 80 18.417 0.898 5.845 1.00 1.06 C ATOM 1245 OE1 GLN A 80 18.481 1.507 6.913 1.00 1.37 O ATOM 1246 NE2 GLN A 80 19.389 0.103 5.426 1.00 1.43 N ATOM 0 H GLN A 80 15.499 2.762 2.453 1.00 0.47 H new ATOM 0 HA GLN A 80 18.285 2.364 2.134 1.00 0.55 H new ATOM 0 HB2 GLN A 80 18.118 2.821 4.298 1.00 0.74 H new ATOM 0 HB3 GLN A 80 16.371 2.813 4.153 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.302 1.097 5.579 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.085 0.095 4.373 1.00 0.78 H new ATOM 0 HE21 GLN A 80 19.300 -0.385 4.535 1.00 1.43 H new ATOM 0 HE22 GLN A 80 20.227 -0.021 5.994 1.00 1.43 H new ATOM 1255 N PRO A 81 18.786 -0.136 2.140 1.00 0.42 N ATOM 1256 CA PRO A 81 19.001 -1.537 1.791 1.00 0.44 C ATOM 1257 C PRO A 81 18.427 -2.464 2.852 1.00 0.54 C ATOM 1258 O PRO A 81 18.356 -2.098 4.025 1.00 1.33 O ATOM 1259 CB PRO A 81 20.523 -1.671 1.706 1.00 0.50 C ATOM 1260 CG PRO A 81 21.054 -0.532 2.505 1.00 0.57 C ATOM 1261 CD PRO A 81 20.050 0.580 2.360 1.00 0.49 C ATOM 0 HA PRO A 81 18.505 -1.815 0.861 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.858 -2.627 2.109 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.867 -1.623 0.673 1.00 0.50 H new ATOM 0 HG2 PRO A 81 21.177 -0.813 3.551 1.00 0.57 H new ATOM 0 HG3 PRO A 81 22.034 -0.223 2.141 1.00 0.57 H new ATOM 0 HD2 PRO A 81 20.009 1.205 3.252 1.00 0.49 H new ATOM 0 HD3 PRO A 81 20.293 1.235 1.523 1.00 0.49 H new ATOM 1269 N ALA A 82 18.006 -3.649 2.422 1.00 0.81 N ATOM 1270 CA ALA A 82 17.340 -4.607 3.297 1.00 0.88 C ATOM 1271 C ALA A 82 15.958 -4.102 3.712 1.00 0.77 C ATOM 1272 O ALA A 82 15.349 -4.628 4.645 1.00 0.91 O ATOM 1273 CB ALA A 82 18.194 -4.938 4.518 1.00 1.12 C ATOM 0 H ALA A 82 18.116 -3.971 1.461 1.00 0.81 H new ATOM 0 HA ALA A 82 17.206 -5.530 2.732 1.00 0.88 H new ATOM 0 HB1 ALA A 82 17.666 -5.655 5.148 1.00 1.12 H new ATOM 0 HB2 ALA A 82 19.141 -5.369 4.194 1.00 1.12 H new ATOM 0 HB3 ALA A 82 18.385 -4.028 5.086 1.00 1.12 H new ATOM 1279 N PHE A 83 15.448 -3.092 3.004 1.00 0.64 N ATOM 1280 CA PHE A 83 14.075 -2.654 3.207 1.00 0.68 C ATOM 1281 C PHE A 83 13.172 -3.568 2.404 1.00 0.76 C ATOM 1282 O PHE A 83 11.945 -3.476 2.510 1.00 1.24 O ATOM 1283 CB PHE A 83 13.885 -1.205 2.732 1.00 0.74 C ATOM 1284 CG PHE A 83 13.265 -0.232 3.717 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.759 -0.635 4.948 1.00 0.80 C ATOM 1286 CD2 PHE A 83 13.205 1.116 3.387 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.211 0.286 5.821 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.653 2.037 4.255 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.158 1.622 5.474 1.00 0.88 C ATOM 0 H PHE A 83 15.962 -2.570 2.294 1.00 0.64 H new ATOM 0 HA PHE A 83 13.832 -2.696 4.269 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.859 -0.815 2.438 1.00 0.74 H new ATOM 0 HB3 PHE A 83 13.265 -1.221 1.836 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.795 -1.678 5.225 1.00 0.80 H new ATOM 0 HD2 PHE A 83 13.596 1.449 2.437 1.00 0.75 H new ATOM 0 HE1 PHE A 83 11.824 -0.039 6.775 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.609 3.081 3.980 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.729 2.341 6.156 1.00 0.88 H new ATOM 1299 N THR A 84 13.841 -4.429 1.599 1.00 0.55 N ATOM 1300 CA THR A 84 13.253 -5.384 0.688 1.00 0.58 C ATOM 1301 C THR A 84 11.784 -5.567 0.930 1.00 0.80 C ATOM 1302 O THR A 84 11.331 -6.355 1.759 1.00 1.22 O ATOM 1303 CB THR A 84 13.986 -6.718 0.754 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.397 -6.498 0.601 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.487 -7.667 -0.332 1.00 1.17 C ATOM 0 H THR A 84 14.860 -4.460 1.583 1.00 0.55 H new ATOM 0 HA THR A 84 13.363 -4.979 -0.318 1.00 0.58 H new ATOM 0 HB THR A 84 13.790 -7.176 1.723 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.869 -7.356 0.645 1.00 1.10 H new ATOM 0 HG21 THR A 84 14.025 -8.612 -0.264 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.420 -7.846 -0.197 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.658 -7.221 -1.312 1.00 1.17 H new ATOM 1313 N GLY A 85 11.091 -4.746 0.210 1.00 0.87 N ATOM 1314 CA GLY A 85 9.694 -4.588 0.324 1.00 1.43 C ATOM 1315 C GLY A 85 8.941 -5.858 0.298 1.00 0.96 C ATOM 1316 O GLY A 85 8.948 -6.601 -0.662 1.00 1.29 O ATOM 0 H GLY A 85 11.509 -4.146 -0.501 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.473 -4.065 1.255 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.343 -3.953 -0.489 1.00 1.43 H new ATOM 1320 N GLY A 86 8.383 -6.118 1.409 1.00 0.52 N ATOM 1321 CA GLY A 86 7.239 -6.942 1.475 1.00 0.52 C ATOM 1322 C GLY A 86 6.069 -6.092 1.869 1.00 0.40 C ATOM 1323 O GLY A 86 5.686 -6.020 3.033 1.00 0.43 O ATOM 0 H GLY A 86 8.706 -5.765 2.310 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.056 -7.416 0.511 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.389 -7.742 2.200 1.00 0.52 H new ATOM 1327 N TYR A 87 5.606 -5.338 0.910 1.00 0.34 N ATOM 1328 CA TYR A 87 4.429 -4.524 1.064 1.00 0.28 C ATOM 1329 C TYR A 87 3.194 -5.398 0.893 1.00 0.30 C ATOM 1330 O TYR A 87 3.002 -6.015 -0.155 1.00 0.39 O ATOM 1331 CB TYR A 87 4.436 -3.407 0.026 1.00 0.35 C ATOM 1332 CG TYR A 87 5.616 -2.477 0.150 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.876 -2.848 -0.304 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.472 -1.231 0.727 1.00 0.47 C ATOM 1335 CE1 TYR A 87 7.959 -2.000 -0.173 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.546 -0.383 0.855 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.785 -0.768 0.406 1.00 0.54 C ATOM 1338 OH TYR A 87 8.859 0.081 0.559 1.00 0.63 O ATOM 0 H TYR A 87 6.039 -5.270 -0.011 1.00 0.34 H new ATOM 0 HA TYR A 87 4.417 -4.075 2.057 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.435 -3.848 -0.971 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.517 -2.829 0.120 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.011 -3.815 -0.767 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.501 -0.918 1.083 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.934 -2.304 -0.523 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.415 0.588 1.310 1.00 0.54 H new ATOM 0 HH TYR A 87 8.765 0.841 -0.052 1.00 0.63 H new ATOM 1348 N ARG A 88 2.376 -5.475 1.924 1.00 0.33 N ATOM 1349 CA ARG A 88 1.188 -6.299 1.878 1.00 0.36 C ATOM 1350 C ARG A 88 -0.004 -5.427 2.174 1.00 0.36 C ATOM 1351 O ARG A 88 -0.222 -5.023 3.315 1.00 0.60 O ATOM 1352 CB ARG A 88 1.271 -7.430 2.908 1.00 0.42 C ATOM 1353 CG ARG A 88 2.649 -8.061 3.026 1.00 1.09 C ATOM 1354 CD ARG A 88 2.662 -9.163 4.070 1.00 1.23 C ATOM 1355 NE ARG A 88 4.016 -9.489 4.514 1.00 1.73 N ATOM 1356 CZ ARG A 88 4.301 -10.468 5.373 1.00 2.17 C ATOM 1357 NH1 ARG A 88 3.345 -11.295 5.784 1.00 2.11 N ATOM 1358 NH2 ARG A 88 5.549 -10.634 5.799 1.00 3.15 N ATOM 0 H ARG A 88 2.514 -4.976 2.803 1.00 0.33 H new ATOM 0 HA ARG A 88 1.096 -6.749 0.890 1.00 0.36 H new ATOM 0 HB2 ARG A 88 0.976 -7.042 3.883 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.550 -8.203 2.642 1.00 0.42 H new ATOM 0 HG2 ARG A 88 2.949 -8.468 2.060 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.380 -7.297 3.291 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.065 -8.855 4.928 1.00 1.23 H new ATOM 0 HD3 ARG A 88 2.192 -10.056 3.659 1.00 1.23 H new ATOM 0 HE ARG A 88 4.789 -8.935 4.145 1.00 1.73 H new ATOM 0 HH11 ARG A 88 2.391 -11.181 5.442 1.00 2.11 H new ATOM 0 HH12 ARG A 88 3.566 -12.043 6.441 1.00 2.11 H new ATOM 0 HH21 ARG A 88 6.287 -10.013 5.469 1.00 3.15 H new ATOM 0 HH22 ARG A 88 5.768 -11.383 6.456 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.749 -5.096 1.147 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.916 -4.274 1.340 1.00 0.27 C ATOM 1374 C CYS A 89 -3.104 -5.166 1.588 1.00 0.25 C ATOM 1375 O CYS A 89 -3.353 -6.111 0.846 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.156 -3.361 0.146 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.918 -1.788 0.574 1.00 1.08 S ATOM 0 H CYS A 89 -0.571 -5.379 0.183 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.760 -3.628 2.204 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -1.204 -3.170 -0.350 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.792 -3.878 -0.573 1.00 0.39 H new ATOM 0 HG CYS A 89 -1.995 -0.935 0.906 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.801 -4.891 2.659 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.894 -5.734 3.084 1.00 0.28 C ATOM 1385 C GLU A 90 -6.074 -4.870 3.507 1.00 0.26 C ATOM 1386 O GLU A 90 -6.033 -4.205 4.545 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.423 -6.631 4.233 1.00 0.35 C ATOM 1388 CG GLU A 90 -5.495 -7.519 4.828 1.00 1.19 C ATOM 1389 CD GLU A 90 -4.967 -8.339 5.988 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -4.334 -9.390 5.748 1.00 1.43 O ATOM 1391 OE2 GLU A 90 -5.192 -7.945 7.152 1.00 1.81 O ATOM 0 H GLU A 90 -3.631 -4.084 3.259 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.219 -6.369 2.260 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.609 -7.260 3.873 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -4.014 -6.001 5.023 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -6.329 -6.905 5.167 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -5.883 -8.186 4.058 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.113 -4.847 2.693 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.273 -4.032 2.998 1.00 0.22 C ATOM 1400 C VAL A 91 -9.353 -4.887 3.623 1.00 0.22 C ATOM 1401 O VAL A 91 -9.564 -6.032 3.220 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.847 -3.336 1.750 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -9.940 -2.336 2.128 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -7.734 -2.678 0.948 1.00 0.51 C ATOM 0 H VAL A 91 -7.178 -5.378 1.824 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.945 -3.259 3.693 1.00 0.22 H new ATOM 0 HB VAL A 91 -9.311 -4.093 1.117 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -10.326 -1.861 1.226 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -10.750 -2.858 2.638 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.525 -1.576 2.790 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -8.157 -2.191 0.070 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -7.230 -1.936 1.567 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -7.016 -3.435 0.632 1.00 0.51 H new ATOM 1414 N SER A 92 -10.032 -4.324 4.596 1.00 0.22 N ATOM 1415 CA SER A 92 -11.078 -5.026 5.289 1.00 0.25 C ATOM 1416 C SER A 92 -12.294 -4.136 5.368 1.00 0.26 C ATOM 1417 O SER A 92 -12.300 -3.128 6.076 1.00 0.30 O ATOM 1418 CB SER A 92 -10.612 -5.415 6.689 1.00 0.32 C ATOM 1419 OG SER A 92 -9.422 -6.188 6.636 1.00 1.18 O ATOM 0 H SER A 92 -9.873 -3.372 4.925 1.00 0.22 H new ATOM 0 HA SER A 92 -11.330 -5.938 4.748 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.439 -4.516 7.281 1.00 0.32 H new ATOM 0 HB3 SER A 92 -11.395 -5.982 7.192 1.00 0.32 H new ATOM 0 HG SER A 92 -9.559 -6.960 6.048 1.00 1.18 H new ATOM 1425 N THR A 93 -13.299 -4.475 4.597 1.00 0.28 N ATOM 1426 CA THR A 93 -14.526 -3.738 4.609 1.00 0.35 C ATOM 1427 C THR A 93 -15.672 -4.697 4.693 1.00 0.39 C ATOM 1428 O THR A 93 -15.499 -5.851 4.322 1.00 0.59 O ATOM 1429 CB THR A 93 -14.676 -2.916 3.342 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.389 -2.654 2.780 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.364 -1.612 3.648 1.00 0.57 C ATOM 0 H THR A 93 -13.284 -5.264 3.951 1.00 0.28 H new ATOM 0 HA THR A 93 -14.518 -3.068 5.468 1.00 0.35 H new ATOM 0 HB THR A 93 -15.277 -3.479 2.628 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.795 -2.300 3.474 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.466 -1.031 2.732 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.352 -1.811 4.064 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.773 -1.049 4.371 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.813 -4.199 5.183 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.109 -4.891 5.132 1.00 0.43 C ATOM 1441 C LYS A 94 -17.992 -6.418 5.027 1.00 0.42 C ATOM 1442 O LYS A 94 -18.132 -7.142 6.011 1.00 0.53 O ATOM 1443 CB LYS A 94 -18.942 -4.335 3.964 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.128 -3.925 2.730 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.825 -4.332 1.442 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.076 -5.831 1.383 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.335 -6.181 0.678 1.00 0.65 N ATOM 0 H LYS A 94 -16.864 -3.286 5.635 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.608 -4.696 6.081 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.672 -5.088 3.666 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.503 -3.469 4.316 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -17.974 -2.846 2.736 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.142 -4.388 2.773 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -19.774 -3.801 1.359 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -18.216 -4.032 0.589 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.238 -6.315 0.881 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.112 -6.228 2.397 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -20.816 -6.949 1.188 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.956 -5.347 0.642 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.116 -6.492 -0.290 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.729 -6.874 3.814 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.567 -8.264 3.504 1.00 0.40 C ATOM 1463 C ASP A 95 -16.474 -8.439 2.459 1.00 0.37 C ATOM 1464 O ASP A 95 -16.111 -9.557 2.111 1.00 0.47 O ATOM 1465 CB ASP A 95 -18.877 -8.806 2.970 1.00 0.46 C ATOM 1466 CG ASP A 95 -18.935 -10.322 2.964 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.044 -10.922 4.050 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -18.884 -10.913 1.865 1.00 1.05 O ATOM 0 H ASP A 95 -17.622 -6.263 3.004 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.283 -8.808 4.405 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.697 -8.419 3.575 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.029 -8.438 1.955 1.00 0.46 H new ATOM 1473 N LYS A 96 -15.937 -7.325 1.963 1.00 0.29 N ATOM 1474 CA LYS A 96 -14.934 -7.397 0.928 1.00 0.29 C ATOM 1475 C LYS A 96 -13.570 -7.431 1.558 1.00 0.27 C ATOM 1476 O LYS A 96 -13.197 -6.551 2.334 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.000 -6.260 -0.120 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.102 -6.808 -1.523 1.00 0.56 C ATOM 1479 CD LYS A 96 -13.795 -7.455 -1.927 1.00 0.82 C ATOM 1480 CE LYS A 96 -13.915 -8.315 -3.166 1.00 1.00 C ATOM 1481 NZ LYS A 96 -13.494 -7.566 -4.371 1.00 1.29 N ATOM 0 H LYS A 96 -16.181 -6.381 2.262 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.138 -8.314 0.375 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -15.860 -5.623 0.086 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.112 -5.634 -0.036 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -15.910 -7.538 -1.579 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -15.349 -6.005 -2.218 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -13.051 -6.678 -2.102 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -13.429 -8.066 -1.102 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -13.300 -9.208 -3.055 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -14.946 -8.650 -3.283 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -13.307 -8.233 -5.147 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -14.249 -6.909 -4.653 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -12.629 -7.029 -4.161 1.00 1.29 H new ATOM 1495 N PHE A 97 -12.854 -8.467 1.233 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.514 -8.648 1.723 1.00 0.29 C ATOM 1497 C PHE A 97 -10.582 -8.954 0.578 1.00 0.32 C ATOM 1498 O PHE A 97 -10.669 -9.990 -0.077 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.493 -9.757 2.745 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.189 -9.942 3.468 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.787 -9.039 4.439 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.356 -11.009 3.163 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.582 -9.195 5.094 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.149 -11.171 3.816 1.00 0.77 C ATOM 1505 CZ PHE A 97 -7.793 -10.309 4.827 1.00 0.74 C ATOM 0 H PHE A 97 -13.181 -9.213 0.620 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.175 -7.729 2.201 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.273 -9.564 3.481 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.749 -10.692 2.247 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.424 -8.203 4.686 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.654 -11.720 2.407 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.254 -8.456 5.810 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.485 -11.974 3.533 1.00 0.77 H new ATOM 0 HZ PHE A 97 -6.904 -10.496 5.411 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.695 -8.032 0.365 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.732 -8.109 -0.728 1.00 0.43 C ATOM 1517 C ASP A 98 -7.336 -7.844 -0.194 1.00 0.36 C ATOM 1518 O ASP A 98 -7.159 -7.048 0.734 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.051 -7.105 -1.847 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.207 -7.519 -2.747 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -10.258 -8.696 -3.151 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.053 -6.650 -3.090 1.00 1.60 O ATOM 0 H ASP A 98 -9.605 -7.194 0.939 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.791 -9.111 -1.152 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.283 -6.139 -1.398 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.160 -6.966 -2.460 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.351 -8.515 -0.764 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.977 -8.372 -0.309 1.00 0.30 C ATOM 1529 C CYS A 99 -4.010 -8.416 -1.479 1.00 0.32 C ATOM 1530 O CYS A 99 -4.244 -9.097 -2.480 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.620 -9.470 0.689 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.786 -9.619 2.059 1.00 1.19 S ATOM 0 H CYS A 99 -6.475 -9.163 -1.541 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.892 -7.403 0.182 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -4.569 -10.423 0.163 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -3.626 -9.274 1.090 1.00 0.34 H new ATOM 0 HG CYS A 99 -6.474 -10.714 1.926 1.00 1.19 H new ATOM 1538 N SER A 100 -2.927 -7.678 -1.345 1.00 0.27 N ATOM 1539 CA SER A 100 -1.896 -7.639 -2.367 1.00 0.30 C ATOM 1540 C SER A 100 -0.523 -7.925 -1.798 1.00 0.31 C ATOM 1541 O SER A 100 -0.231 -7.617 -0.642 1.00 0.42 O ATOM 1542 CB SER A 100 -1.872 -6.292 -3.074 1.00 0.38 C ATOM 1543 OG SER A 100 -2.220 -5.241 -2.195 1.00 0.84 O ATOM 0 H SER A 100 -2.736 -7.092 -0.532 1.00 0.27 H new ATOM 0 HA SER A 100 -2.145 -8.421 -3.085 1.00 0.30 H new ATOM 0 HB2 SER A 100 -0.878 -6.112 -3.483 1.00 0.38 H new ATOM 0 HB3 SER A 100 -2.565 -6.309 -3.915 1.00 0.38 H new ATOM 0 HG SER A 100 -3.083 -4.862 -2.464 1.00 0.84 H new ATOM 1549 N ASN A 101 0.300 -8.533 -2.625 1.00 0.34 N ATOM 1550 CA ASN A 101 1.697 -8.752 -2.304 1.00 0.37 C ATOM 1551 C ASN A 101 2.580 -8.059 -3.338 1.00 0.42 C ATOM 1552 O ASN A 101 2.555 -8.387 -4.523 1.00 0.65 O ATOM 1553 CB ASN A 101 2.016 -10.257 -2.197 1.00 0.60 C ATOM 1554 CG ASN A 101 1.395 -11.131 -3.294 1.00 0.97 C ATOM 1555 OD1 ASN A 101 0.937 -12.237 -3.017 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.406 -10.679 -4.544 1.00 1.05 N ATOM 0 H ASN A 101 0.021 -8.890 -3.539 1.00 0.34 H new ATOM 0 HA ASN A 101 1.907 -8.315 -1.327 1.00 0.37 H new ATOM 0 HB2 ASN A 101 3.098 -10.386 -2.220 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.672 -10.618 -1.228 1.00 0.60 H new ATOM 0 HD21 ASN A 101 1.029 -11.254 -5.297 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.792 -9.757 -4.750 1.00 1.05 H new ATOM 1563 N PHE A 102 3.325 -7.066 -2.894 1.00 0.31 N ATOM 1564 CA PHE A 102 4.151 -6.281 -3.788 1.00 0.38 C ATOM 1565 C PHE A 102 5.466 -5.960 -3.108 1.00 0.30 C ATOM 1566 O PHE A 102 5.504 -5.351 -2.042 1.00 0.37 O ATOM 1567 CB PHE A 102 3.408 -5.018 -4.278 1.00 0.57 C ATOM 1568 CG PHE A 102 2.526 -4.337 -3.261 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.401 -4.970 -2.768 1.00 0.59 C ATOM 1570 CD2 PHE A 102 2.830 -3.075 -2.787 1.00 0.61 C ATOM 1571 CE1 PHE A 102 0.594 -4.356 -1.836 1.00 0.74 C ATOM 1572 CE2 PHE A 102 2.028 -2.454 -1.858 1.00 0.84 C ATOM 1573 CZ PHE A 102 0.903 -3.075 -1.397 1.00 0.86 C ATOM 0 H PHE A 102 3.375 -6.783 -1.915 1.00 0.31 H new ATOM 0 HA PHE A 102 4.370 -6.863 -4.683 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.147 -4.298 -4.629 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.795 -5.291 -5.137 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.151 -5.960 -3.119 1.00 0.59 H new ATOM 0 HD2 PHE A 102 3.711 -2.568 -3.152 1.00 0.61 H new ATOM 0 HE1 PHE A 102 -0.274 -4.868 -1.449 1.00 0.74 H new ATOM 0 HE2 PHE A 102 2.289 -1.472 -1.492 1.00 0.84 H new ATOM 0 HZ PHE A 102 0.256 -2.572 -0.694 1.00 0.86 H new ATOM 1583 N ASN A 103 6.540 -6.407 -3.718 1.00 0.24 N ATOM 1584 CA ASN A 103 7.826 -6.399 -3.104 1.00 0.25 C ATOM 1585 C ASN A 103 8.690 -5.287 -3.641 1.00 0.28 C ATOM 1586 O ASN A 103 8.525 -4.813 -4.755 1.00 0.49 O ATOM 1587 CB ASN A 103 8.512 -7.742 -3.345 1.00 0.33 C ATOM 1588 CG ASN A 103 8.610 -8.124 -4.799 1.00 1.08 C ATOM 1589 OD1 ASN A 103 9.574 -7.773 -5.480 1.00 2.11 O ATOM 1590 ND2 ASN A 103 7.644 -8.880 -5.275 1.00 1.25 N ATOM 0 H ASN A 103 6.534 -6.788 -4.664 1.00 0.24 H new ATOM 0 HA ASN A 103 7.690 -6.233 -2.035 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.515 -7.708 -2.920 1.00 0.33 H new ATOM 0 HB3 ASN A 103 7.965 -8.519 -2.811 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.676 -9.199 -6.243 1.00 1.25 H new ATOM 0 HD22 ASN A 103 6.863 -9.148 -4.676 1.00 1.25 H new ATOM 1597 N LEU A 104 9.617 -4.898 -2.832 1.00 0.23 N ATOM 1598 CA LEU A 104 10.602 -3.905 -3.225 1.00 0.24 C ATOM 1599 C LEU A 104 11.994 -4.489 -3.092 1.00 0.25 C ATOM 1600 O LEU A 104 12.466 -4.755 -1.996 1.00 0.37 O ATOM 1601 CB LEU A 104 10.488 -2.612 -2.396 1.00 0.27 C ATOM 1602 CG LEU A 104 11.784 -1.867 -2.219 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.842 -0.691 -3.170 1.00 0.28 C ATOM 1604 CD2 LEU A 104 12.003 -1.417 -0.785 1.00 0.30 C ATOM 0 H LEU A 104 9.727 -5.248 -1.880 1.00 0.23 H new ATOM 0 HA LEU A 104 10.409 -3.639 -4.264 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.766 -1.951 -2.875 1.00 0.27 H new ATOM 0 HB3 LEU A 104 10.089 -2.860 -1.412 1.00 0.27 H new ATOM 0 HG LEU A 104 12.594 -2.557 -2.456 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.784 -0.159 -3.034 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.773 -1.050 -4.197 1.00 0.28 H new ATOM 0 HD13 LEU A 104 11.011 -0.016 -2.965 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.951 -0.885 -0.711 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.191 -0.755 -0.483 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.024 -2.288 -0.130 1.00 0.30 H new ATOM 1616 N THR A 105 12.652 -4.697 -4.202 1.00 0.23 N ATOM 1617 CA THR A 105 13.995 -5.204 -4.164 1.00 0.24 C ATOM 1618 C THR A 105 14.963 -4.045 -4.206 1.00 0.21 C ATOM 1619 O THR A 105 15.259 -3.502 -5.269 1.00 0.22 O ATOM 1620 CB THR A 105 14.289 -6.159 -5.327 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.196 -7.074 -5.494 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.570 -6.932 -5.056 1.00 0.32 C ATOM 0 H THR A 105 12.282 -4.524 -5.137 1.00 0.23 H new ATOM 0 HA THR A 105 14.112 -5.770 -3.240 1.00 0.24 H new ATOM 0 HB THR A 105 14.412 -5.577 -6.240 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.388 -7.681 -6.239 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.770 -7.608 -5.888 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.400 -6.234 -4.948 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.459 -7.509 -4.138 1.00 0.32 H new ATOM 1630 N VAL A 106 15.419 -3.649 -3.037 1.00 0.23 N ATOM 1631 CA VAL A 106 16.354 -2.573 -2.925 1.00 0.23 C ATOM 1632 C VAL A 106 17.742 -3.096 -3.167 1.00 0.25 C ATOM 1633 O VAL A 106 18.289 -3.910 -2.425 1.00 0.28 O ATOM 1634 CB VAL A 106 16.292 -1.825 -1.578 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.408 -2.773 -0.402 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.350 -0.728 -1.540 1.00 0.33 C ATOM 0 H VAL A 106 15.148 -4.068 -2.147 1.00 0.23 H new ATOM 0 HA VAL A 106 16.080 -1.838 -3.682 1.00 0.23 H new ATOM 0 HB VAL A 106 15.313 -1.353 -1.491 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.360 -2.207 0.528 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.589 -3.492 -0.432 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.359 -3.304 -0.455 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.298 -0.205 -0.585 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.339 -1.172 -1.658 1.00 0.33 H new ATOM 0 HG23 VAL A 106 17.171 -0.021 -2.350 1.00 0.33 H new ATOM 1646 N HIS A 107 18.259 -2.622 -4.246 1.00 0.26 N ATOM 1647 CA HIS A 107 19.559 -2.986 -4.720 1.00 0.31 C ATOM 1648 C HIS A 107 20.581 -2.081 -4.092 1.00 0.34 C ATOM 1649 O HIS A 107 20.718 -0.915 -4.458 1.00 0.36 O ATOM 1650 CB HIS A 107 19.631 -2.882 -6.244 1.00 0.36 C ATOM 1651 CG HIS A 107 18.695 -3.807 -6.950 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.858 -5.170 -6.969 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.572 -3.553 -7.656 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.875 -5.715 -7.649 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.077 -4.759 -8.085 1.00 0.53 N ATOM 0 H HIS A 107 17.779 -1.950 -4.845 1.00 0.26 H new ATOM 0 HA HIS A 107 19.762 -4.021 -4.443 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.409 -1.857 -6.541 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.650 -3.094 -6.567 1.00 0.36 H new ATOM 0 HD1 HIS A 107 19.622 -5.679 -6.525 1.00 1.19 H new ATOM 0 HD2 HIS A 107 17.143 -2.581 -7.848 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.742 -6.773 -7.823 1.00 1.10 H new ATOM 1664 N GLU A 108 21.233 -2.609 -3.092 1.00 0.45 N ATOM 1665 CA GLU A 108 22.383 -1.951 -2.503 1.00 0.56 C ATOM 1666 C GLU A 108 23.487 -1.874 -3.547 1.00 0.71 C ATOM 1667 O GLU A 108 24.223 -2.834 -3.771 1.00 1.33 O ATOM 1668 CB GLU A 108 22.860 -2.683 -1.240 1.00 0.71 C ATOM 1669 CG GLU A 108 23.749 -1.844 -0.322 1.00 0.87 C ATOM 1670 CD GLU A 108 25.126 -1.582 -0.901 1.00 1.20 C ATOM 1671 OE1 GLU A 108 26.012 -2.453 -0.765 1.00 1.66 O ATOM 1672 OE2 GLU A 108 25.323 -0.504 -1.498 1.00 1.67 O ATOM 0 H GLU A 108 20.990 -3.501 -2.660 1.00 0.45 H new ATOM 0 HA GLU A 108 22.105 -0.944 -2.194 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.988 -3.016 -0.677 1.00 0.71 H new ATOM 0 HB3 GLU A 108 23.407 -3.577 -1.538 1.00 0.71 H new ATOM 0 HG2 GLU A 108 23.258 -0.891 -0.123 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.855 -2.354 0.635 1.00 0.87 H new ATOM 1679 N ALA A 109 23.539 -0.744 -4.222 1.00 1.29 N ATOM 1680 CA ALA A 109 24.534 -0.497 -5.241 1.00 1.54 C ATOM 1681 C ALA A 109 25.046 0.924 -5.103 1.00 2.12 C ATOM 1682 O ALA A 109 25.015 1.706 -6.050 1.00 2.78 O ATOM 1683 CB ALA A 109 23.939 -0.726 -6.622 1.00 2.44 C ATOM 0 H ALA A 109 22.890 0.030 -4.078 1.00 1.29 H new ATOM 0 HA ALA A 109 25.367 -1.188 -5.115 1.00 1.54 H new ATOM 0 HB1 ALA A 109 24.698 -0.537 -7.381 1.00 2.44 H new ATOM 0 HB2 ALA A 109 23.594 -1.757 -6.703 1.00 2.44 H new ATOM 0 HB3 ALA A 109 23.098 -0.049 -6.773 1.00 2.44 H new ATOM 1689 N MET A 110 25.479 1.260 -3.895 1.00 2.77 N ATOM 1690 CA MET A 110 26.006 2.585 -3.608 1.00 3.92 C ATOM 1691 C MET A 110 27.456 2.677 -4.052 1.00 4.80 C ATOM 1692 O MET A 110 27.749 3.463 -4.972 1.00 5.41 O ATOM 1693 CB MET A 110 25.890 2.901 -2.114 1.00 4.52 C ATOM 1694 CG MET A 110 24.457 2.904 -1.601 1.00 5.33 C ATOM 1695 SD MET A 110 24.335 3.308 0.155 1.00 6.12 S ATOM 1696 CE MET A 110 25.290 1.971 0.870 1.00 6.92 C ATOM 1697 OXT MET A 110 28.294 1.934 -3.496 1.00 5.23 O ATOM 0 H MET A 110 25.475 0.628 -3.094 1.00 2.77 H new ATOM 0 HA MET A 110 25.418 3.318 -4.161 1.00 3.92 H new ATOM 0 HB2 MET A 110 26.467 2.168 -1.550 1.00 4.52 H new ATOM 0 HB3 MET A 110 26.338 3.876 -1.922 1.00 4.52 H new ATOM 0 HG2 MET A 110 23.873 3.624 -2.175 1.00 5.33 H new ATOM 0 HG3 MET A 110 24.013 1.924 -1.774 1.00 5.33 H new ATOM 0 HE1 MET A 110 25.179 1.984 1.954 1.00 6.92 H new ATOM 0 HE2 MET A 110 24.931 1.019 0.480 1.00 6.92 H new ATOM 0 HE3 MET A 110 26.341 2.096 0.611 1.00 6.92 H new TER 1707 MET A 110