USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1094 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 33 GLN : amide:sc= -2.77! C(o=-4.2!,f=-3!) USER MOD Set 1.2: A 37 GLN : amide:sc= -1.42 K(o=-4.2,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.055 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 29:sc= -0.0646 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 100:sc= -2.84! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 100:sc= -0.961 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 35:sc= 0.564 USER MOD Single : A 31 THR OG1 : rot -110:sc= 0.276 USER MOD Single : A 32 THR OG1 : rot -122:sc= -1.1 USER MOD Single : A 40 THR OG1 : rot -56:sc= -0.615 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -11.1! C(o=-11!,f=-14!) USER MOD Single : A 56 MET CE :methyl 137:sc= -0.0805 (180deg=-1.26) USER MOD Single : A 60 ASN : amide:sc= 0.249 K(o=0.25,f=-2.3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -4:sc= 0.872 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -11.1! C(o=-11!,f=-9.2!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 0.551 (180deg=0.469) USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= -0.064 (180deg=-0.409) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -4.65! C(o=-4.7!,f=-2.8!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.895 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0619 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.319 X(o=0.32,f=0) USER MOD Single : A 102 THR OG1 : rot 55:sc=-0.00611 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.488 USER MOD Single : A 106 MET CE :methyl 161:sc= -6.56! (180deg=-7.75!) USER MOD Single : A 119 THR OG1 : rot 81:sc= 1 USER MOD Single : A 121 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.22) USER MOD Single : A 124 GLN : amide:sc= -9.3! C(o=-9.3!,f=-19!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 52:sc= 1.25 USER MOD Single : A 132 LYS NZ :NH3+ -174:sc= 1.01 (180deg=0.724) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot 69:sc= 0.23 USER MOD Single : A 137 TYR OH : rot 70:sc= -1.09 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 33:sc= 0.306 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.143 -15.033 12.675 1.00 0.00 N ATOM 2 CA GLY A 1 29.549 -13.955 13.558 1.00 0.00 C ATOM 3 C GLY A 1 28.701 -12.711 13.384 1.00 0.00 C ATOM 4 O GLY A 1 28.111 -12.498 12.325 1.00 0.00 O ATOM 0 H1 GLY A 1 28.630 -15.754 13.221 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.523 -14.656 11.930 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.985 -15.462 12.241 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.484 -14.293 14.592 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.594 -13.708 13.368 1.00 0.00 H new ATOM 8 N SER A 2 28.638 -11.889 14.426 1.00 0.00 N ATOM 9 CA SER A 2 27.850 -10.662 14.385 1.00 0.00 C ATOM 10 C SER A 2 28.232 -9.812 13.177 1.00 0.00 C ATOM 11 O SER A 2 29.411 -9.565 12.926 1.00 0.00 O ATOM 12 CB SER A 2 28.050 -9.860 15.672 1.00 0.00 C ATOM 13 OG SER A 2 27.382 -8.612 15.604 1.00 0.00 O ATOM 0 H SER A 2 29.123 -12.050 15.309 1.00 0.00 H new ATOM 0 HA SER A 2 26.799 -10.936 14.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.675 -10.431 16.522 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.114 -9.698 15.841 1.00 0.00 H new ATOM 0 HG SER A 2 27.524 -8.119 16.439 1.00 0.00 H new ATOM 19 N SER A 3 27.225 -9.366 12.433 1.00 0.00 N ATOM 20 CA SER A 3 27.453 -8.546 11.249 1.00 0.00 C ATOM 21 C SER A 3 27.000 -7.109 11.488 1.00 0.00 C ATOM 22 O SER A 3 26.055 -6.861 12.235 1.00 0.00 O ATOM 23 CB SER A 3 26.713 -9.134 10.046 1.00 0.00 C ATOM 24 OG SER A 3 26.978 -8.387 8.871 1.00 0.00 O ATOM 0 H SER A 3 26.243 -9.559 12.629 1.00 0.00 H new ATOM 0 HA SER A 3 28.523 -8.541 11.041 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.017 -10.170 9.899 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.641 -9.141 10.242 1.00 0.00 H new ATOM 0 HG SER A 3 26.495 -8.783 8.116 1.00 0.00 H new ATOM 30 N GLY A 4 27.682 -6.166 10.846 1.00 0.00 N ATOM 31 CA GLY A 4 27.336 -4.765 11.001 1.00 0.00 C ATOM 32 C GLY A 4 26.070 -4.395 10.254 1.00 0.00 C ATOM 33 O GLY A 4 25.749 -4.993 9.227 1.00 0.00 O ATOM 0 H GLY A 4 28.468 -6.347 10.221 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.208 -4.540 12.060 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.160 -4.148 10.641 1.00 0.00 H new ATOM 37 N SER A 5 25.347 -3.407 10.771 1.00 0.00 N ATOM 38 CA SER A 5 24.105 -2.961 10.150 1.00 0.00 C ATOM 39 C SER A 5 24.216 -2.997 8.628 1.00 0.00 C ATOM 40 O SER A 5 23.348 -3.538 7.944 1.00 0.00 O ATOM 41 CB SER A 5 23.757 -1.546 10.614 1.00 0.00 C ATOM 42 OG SER A 5 23.211 -1.558 11.922 1.00 0.00 O ATOM 0 H SER A 5 25.600 -2.900 11.619 1.00 0.00 H new ATOM 0 HA SER A 5 23.310 -3.641 10.456 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.652 -0.924 10.596 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.043 -1.098 9.923 1.00 0.00 H new ATOM 0 HG SER A 5 22.999 -0.641 12.196 1.00 0.00 H new ATOM 48 N SER A 6 25.291 -2.415 8.106 1.00 0.00 N ATOM 49 CA SER A 6 25.515 -2.376 6.666 1.00 0.00 C ATOM 50 C SER A 6 24.296 -1.813 5.941 1.00 0.00 C ATOM 51 O SER A 6 23.820 -2.388 4.964 1.00 0.00 O ATOM 52 CB SER A 6 25.833 -3.777 6.139 1.00 0.00 C ATOM 53 OG SER A 6 27.173 -4.138 6.427 1.00 0.00 O ATOM 0 H SER A 6 26.020 -1.964 8.659 1.00 0.00 H new ATOM 0 HA SER A 6 26.365 -1.721 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.153 -4.501 6.588 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.667 -3.810 5.062 1.00 0.00 H new ATOM 0 HG SER A 6 27.351 -5.038 6.082 1.00 0.00 H new ATOM 59 N GLY A 7 23.796 -0.682 6.430 1.00 0.00 N ATOM 60 CA GLY A 7 22.637 -0.058 5.818 1.00 0.00 C ATOM 61 C GLY A 7 21.342 -0.754 6.188 1.00 0.00 C ATOM 62 O GLY A 7 21.337 -1.682 6.997 1.00 0.00 O ATOM 0 H GLY A 7 24.173 -0.187 7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.585 0.986 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.754 -0.066 4.734 1.00 0.00 H new ATOM 66 N ILE A 8 20.241 -0.304 5.595 1.00 0.00 N ATOM 67 CA ILE A 8 18.934 -0.890 5.867 1.00 0.00 C ATOM 68 C ILE A 8 18.396 -1.627 4.646 1.00 0.00 C ATOM 69 O ILE A 8 18.266 -1.064 3.558 1.00 0.00 O ATOM 70 CB ILE A 8 17.915 0.183 6.296 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.979 0.403 7.809 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.511 -0.222 5.873 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.995 -0.444 8.585 1.00 0.00 C ATOM 0 H ILE A 8 20.228 0.464 4.924 1.00 0.00 H new ATOM 0 HA ILE A 8 19.070 -1.598 6.684 1.00 0.00 H new ATOM 0 HB ILE A 8 18.167 1.121 5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.988 0.184 8.157 1.00 0.00 H new ATOM 0 HG13 ILE A 8 17.789 1.455 8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.802 0.546 6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.475 -0.333 4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.248 -1.170 6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 8 17.097 -0.236 9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 8 15.980 -0.209 8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 8 17.198 -1.499 8.400 1.00 0.00 H new ATOM 85 N PRO A 9 18.073 -2.916 4.827 1.00 0.00 N ATOM 86 CA PRO A 9 17.542 -3.757 3.751 1.00 0.00 C ATOM 87 C PRO A 9 16.052 -3.530 3.519 1.00 0.00 C ATOM 88 O PRO A 9 15.287 -3.341 4.466 1.00 0.00 O ATOM 89 CB PRO A 9 17.794 -5.180 4.256 1.00 0.00 C ATOM 90 CG PRO A 9 17.802 -5.059 5.741 1.00 0.00 C ATOM 91 CD PRO A 9 18.202 -3.651 6.096 1.00 0.00 C ATOM 0 HA PRO A 9 18.015 -3.540 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.015 -5.864 3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.742 -5.570 3.885 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.816 -5.288 6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.500 -5.774 6.177 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.554 -3.234 6.867 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.221 -3.610 6.480 1.00 0.00 H new ATOM 99 N THR A 10 15.644 -3.550 2.254 1.00 0.00 N ATOM 100 CA THR A 10 14.246 -3.345 1.898 1.00 0.00 C ATOM 101 C THR A 10 13.795 -4.348 0.842 1.00 0.00 C ATOM 102 O THR A 10 14.600 -5.124 0.325 1.00 0.00 O ATOM 103 CB THR A 10 14.003 -1.918 1.372 1.00 0.00 C ATOM 104 OG1 THR A 10 14.757 -1.703 0.174 1.00 0.00 O ATOM 105 CG2 THR A 10 14.394 -0.883 2.416 1.00 0.00 C ATOM 0 H THR A 10 16.263 -3.706 1.458 1.00 0.00 H new ATOM 0 HA THR A 10 13.664 -3.492 2.807 1.00 0.00 H new ATOM 0 HB THR A 10 12.940 -1.810 1.156 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.596 -0.794 -0.155 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.214 0.117 2.022 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.798 -1.031 3.316 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.451 -0.992 2.659 1.00 0.00 H new ATOM 113 N CYS A 11 12.505 -4.326 0.525 1.00 0.00 N ATOM 114 CA CYS A 11 11.947 -5.233 -0.471 1.00 0.00 C ATOM 115 C CYS A 11 10.768 -4.590 -1.194 1.00 0.00 C ATOM 116 O CYS A 11 10.310 -3.511 -0.818 1.00 0.00 O ATOM 117 CB CYS A 11 11.504 -6.539 0.190 1.00 0.00 C ATOM 118 SG CYS A 11 12.807 -7.788 0.303 1.00 0.00 S ATOM 0 H CYS A 11 11.826 -3.690 0.943 1.00 0.00 H new ATOM 0 HA CYS A 11 12.724 -5.450 -1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.137 -6.320 1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.667 -6.953 -0.372 1.00 0.00 H new ATOM 0 HG CYS A 11 13.965 -7.202 0.371 1.00 0.00 H new ATOM 124 N LYS A 12 10.283 -5.258 -2.235 1.00 0.00 N ATOM 125 CA LYS A 12 9.157 -4.752 -3.012 1.00 0.00 C ATOM 126 C LYS A 12 7.888 -5.540 -2.706 1.00 0.00 C ATOM 127 O LYS A 12 7.905 -6.771 -2.666 1.00 0.00 O ATOM 128 CB LYS A 12 9.470 -4.827 -4.508 1.00 0.00 C ATOM 129 CG LYS A 12 8.244 -4.682 -5.393 1.00 0.00 C ATOM 130 CD LYS A 12 8.552 -5.045 -6.836 1.00 0.00 C ATOM 131 CE LYS A 12 7.363 -5.715 -7.508 1.00 0.00 C ATOM 132 NZ LYS A 12 7.534 -5.795 -8.986 1.00 0.00 N ATOM 0 H LYS A 12 10.652 -6.151 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 12 8.993 -3.711 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.185 -4.044 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.952 -5.781 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.446 -5.323 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.879 -3.656 -5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.824 -4.146 -7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.413 -5.712 -6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.234 -6.719 -7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.454 -5.159 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.703 -6.258 -9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.631 -4.836 -9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.387 -6.347 -9.207 1.00 0.00 H new ATOM 146 N ILE A 13 6.789 -4.824 -2.494 1.00 0.00 N ATOM 147 CA ILE A 13 5.511 -5.457 -2.195 1.00 0.00 C ATOM 148 C ILE A 13 4.504 -5.218 -3.315 1.00 0.00 C ATOM 149 O ILE A 13 4.101 -4.083 -3.573 1.00 0.00 O ATOM 150 CB ILE A 13 4.921 -4.938 -0.871 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.861 -5.260 0.293 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.546 -5.543 -0.630 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.044 -6.743 0.530 1.00 0.00 C ATOM 0 H ILE A 13 6.758 -3.805 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 13 5.703 -6.526 -2.103 1.00 0.00 H new ATOM 0 HB ILE A 13 4.814 -3.855 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.834 -4.809 0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.472 -4.800 1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.142 -5.166 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.879 -5.268 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.630 -6.629 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.722 -6.896 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.079 -7.197 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.463 -7.205 -0.364 1.00 0.00 H new ATOM 165 N THR A 14 4.097 -6.296 -3.979 1.00 0.00 N ATOM 166 CA THR A 14 3.137 -6.205 -5.071 1.00 0.00 C ATOM 167 C THR A 14 1.852 -6.954 -4.737 1.00 0.00 C ATOM 168 O THR A 14 1.867 -8.166 -4.517 1.00 0.00 O ATOM 169 CB THR A 14 3.720 -6.767 -6.381 1.00 0.00 C ATOM 170 OG1 THR A 14 5.150 -6.708 -6.345 1.00 0.00 O ATOM 171 CG2 THR A 14 3.205 -5.987 -7.581 1.00 0.00 C ATOM 0 H THR A 14 4.418 -7.243 -3.779 1.00 0.00 H new ATOM 0 HA THR A 14 2.913 -5.147 -5.207 1.00 0.00 H new ATOM 0 HB THR A 14 3.402 -7.805 -6.479 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.508 -7.590 -6.114 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.630 -6.402 -8.495 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.118 -6.058 -7.622 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.497 -4.941 -7.488 1.00 0.00 H new ATOM 179 N LEU A 15 0.741 -6.227 -4.702 1.00 0.00 N ATOM 180 CA LEU A 15 -0.555 -6.824 -4.396 1.00 0.00 C ATOM 181 C LEU A 15 -1.579 -6.485 -5.474 1.00 0.00 C ATOM 182 O LEU A 15 -1.841 -5.315 -5.751 1.00 0.00 O ATOM 183 CB LEU A 15 -1.052 -6.339 -3.033 1.00 0.00 C ATOM 184 CG LEU A 15 -0.074 -6.492 -1.868 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.281 -5.383 -0.848 1.00 0.00 C ATOM 186 CD2 LEU A 15 -0.233 -7.857 -1.214 1.00 0.00 C ATOM 0 H LEU A 15 0.711 -5.223 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.431 -7.907 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.320 -5.286 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.965 -6.881 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 15 0.941 -6.414 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.424 -5.508 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.116 -4.416 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.300 -5.429 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.471 -7.948 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.250 -7.964 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.033 -8.638 -1.948 1.00 0.00 H new ATOM 198 N LYS A 16 -2.158 -7.517 -6.078 1.00 0.00 N ATOM 199 CA LYS A 16 -3.156 -7.331 -7.124 1.00 0.00 C ATOM 200 C LYS A 16 -4.463 -8.029 -6.759 1.00 0.00 C ATOM 201 O LYS A 16 -4.591 -9.243 -6.911 1.00 0.00 O ATOM 202 CB LYS A 16 -2.634 -7.868 -8.458 1.00 0.00 C ATOM 203 CG LYS A 16 -1.503 -7.042 -9.045 1.00 0.00 C ATOM 204 CD LYS A 16 -0.146 -7.539 -8.574 1.00 0.00 C ATOM 205 CE LYS A 16 0.259 -8.817 -9.292 1.00 0.00 C ATOM 206 NZ LYS A 16 1.635 -9.249 -8.921 1.00 0.00 N ATOM 0 H LYS A 16 -1.953 -8.492 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.349 -6.263 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.290 -8.893 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.456 -7.903 -9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.549 -7.083 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.628 -5.998 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.605 -6.769 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.176 -7.718 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.448 -9.610 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.205 -8.661 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.874 -10.123 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.314 -8.503 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.680 -9.423 -7.897 1.00 0.00 H new ATOM 220 N GLU A 17 -5.429 -7.253 -6.279 1.00 0.00 N ATOM 221 CA GLU A 17 -6.726 -7.798 -5.894 1.00 0.00 C ATOM 222 C GLU A 17 -7.855 -7.102 -6.649 1.00 0.00 C ATOM 223 O GLU A 17 -7.805 -5.896 -6.891 1.00 0.00 O ATOM 224 CB GLU A 17 -6.939 -7.650 -4.386 1.00 0.00 C ATOM 225 CG GLU A 17 -7.847 -8.714 -3.792 1.00 0.00 C ATOM 226 CD GLU A 17 -7.553 -8.980 -2.329 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.376 -9.234 -1.997 1.00 0.00 O ATOM 228 OE2 GLU A 17 -8.500 -8.936 -1.516 1.00 0.00 O ATOM 0 H GLU A 17 -5.339 -6.246 -6.147 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.738 -8.857 -6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.972 -7.689 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.364 -6.667 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.886 -8.401 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.733 -9.640 -4.356 1.00 0.00 H new ATOM 235 N THR A 18 -8.873 -7.872 -7.021 1.00 0.00 N ATOM 236 CA THR A 18 -10.013 -7.332 -7.750 1.00 0.00 C ATOM 237 C THR A 18 -11.128 -6.916 -6.797 1.00 0.00 C ATOM 238 O THR A 18 -11.422 -7.615 -5.827 1.00 0.00 O ATOM 239 CB THR A 18 -10.571 -8.354 -8.759 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.510 -8.869 -9.571 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.631 -7.717 -9.644 1.00 0.00 C ATOM 0 H THR A 18 -8.931 -8.872 -6.829 1.00 0.00 H new ATOM 0 HA THR A 18 -9.655 -6.456 -8.291 1.00 0.00 H new ATOM 0 HB THR A 18 -11.030 -9.170 -8.201 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.872 -9.519 -10.209 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.010 -8.458 -10.348 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.451 -7.352 -9.025 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.193 -6.884 -10.194 1.00 0.00 H new ATOM 249 N PHE A 19 -11.746 -5.774 -7.079 1.00 0.00 N ATOM 250 CA PHE A 19 -12.830 -5.265 -6.246 1.00 0.00 C ATOM 251 C PHE A 19 -14.151 -5.273 -7.008 1.00 0.00 C ATOM 252 O PHE A 19 -14.188 -5.017 -8.212 1.00 0.00 O ATOM 253 CB PHE A 19 -12.511 -3.847 -5.769 1.00 0.00 C ATOM 254 CG PHE A 19 -11.429 -3.793 -4.729 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.093 -3.829 -5.097 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.746 -3.706 -3.383 1.00 0.00 C ATOM 257 CE1 PHE A 19 -9.095 -3.781 -4.142 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.752 -3.657 -2.423 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.425 -3.693 -2.804 1.00 0.00 C ATOM 0 H PHE A 19 -11.515 -5.183 -7.878 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.928 -5.919 -5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.211 -3.243 -6.625 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.417 -3.397 -5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.829 -3.895 -6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.782 -3.676 -3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.058 -3.812 -4.442 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.013 -3.591 -1.377 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.646 -3.652 -2.057 1.00 0.00 H new ATOM 269 N LEU A 20 -15.235 -5.568 -6.298 1.00 0.00 N ATOM 270 CA LEU A 20 -16.560 -5.609 -6.907 1.00 0.00 C ATOM 271 C LEU A 20 -17.142 -4.206 -7.041 1.00 0.00 C ATOM 272 O LEU A 20 -18.339 -3.996 -6.840 1.00 0.00 O ATOM 273 CB LEU A 20 -17.498 -6.485 -6.074 1.00 0.00 C ATOM 274 CG LEU A 20 -17.271 -7.994 -6.172 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.644 -8.501 -7.556 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.824 -8.338 -5.849 1.00 0.00 C ATOM 0 H LEU A 20 -15.222 -5.782 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.461 -6.038 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.404 -6.191 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.524 -6.272 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.913 -8.486 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.476 -9.577 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.695 -8.288 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -17.029 -8.002 -8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.681 -9.416 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.164 -7.835 -6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.589 -8.010 -4.836 1.00 0.00 H new ATOM 288 N THR A 21 -16.288 -3.246 -7.384 1.00 0.00 N ATOM 289 CA THR A 21 -16.717 -1.863 -7.546 1.00 0.00 C ATOM 290 C THR A 21 -15.959 -1.182 -8.680 1.00 0.00 C ATOM 291 O THR A 21 -14.996 -1.732 -9.214 1.00 0.00 O ATOM 292 CB THR A 21 -16.513 -1.056 -6.250 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.171 0.212 -6.354 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.033 -0.844 -5.971 1.00 0.00 C ATOM 0 H THR A 21 -15.295 -3.402 -7.555 1.00 0.00 H new ATOM 0 HA THR A 21 -17.780 -1.888 -7.786 1.00 0.00 H new ATOM 0 HB THR A 21 -16.944 -1.622 -5.424 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.031 0.174 -5.885 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.915 -0.272 -5.051 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.541 -1.811 -5.863 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.581 -0.297 -6.799 1.00 0.00 H new ATOM 302 N SER A 22 -16.399 0.019 -9.042 1.00 0.00 N ATOM 303 CA SER A 22 -15.763 0.774 -10.115 1.00 0.00 C ATOM 304 C SER A 22 -14.587 1.587 -9.584 1.00 0.00 C ATOM 305 O SER A 22 -14.506 1.909 -8.398 1.00 0.00 O ATOM 306 CB SER A 22 -16.778 1.702 -10.785 1.00 0.00 C ATOM 307 OG SER A 22 -17.585 0.993 -11.709 1.00 0.00 O ATOM 0 H SER A 22 -17.193 0.490 -8.608 1.00 0.00 H new ATOM 0 HA SER A 22 -15.388 0.064 -10.852 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.409 2.164 -10.026 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.255 2.508 -11.299 1.00 0.00 H new ATOM 0 HG SER A 22 -18.226 1.608 -12.122 1.00 0.00 H new ATOM 313 N PRO A 23 -13.651 1.928 -10.482 1.00 0.00 N ATOM 314 CA PRO A 23 -12.461 2.709 -10.129 1.00 0.00 C ATOM 315 C PRO A 23 -12.802 3.941 -9.297 1.00 0.00 C ATOM 316 O PRO A 23 -12.262 4.135 -8.209 1.00 0.00 O ATOM 317 CB PRO A 23 -11.891 3.122 -11.488 1.00 0.00 C ATOM 318 CG PRO A 23 -12.367 2.074 -12.433 1.00 0.00 C ATOM 319 CD PRO A 23 -13.682 1.579 -11.912 1.00 0.00 C ATOM 0 HA PRO A 23 -11.765 2.136 -9.516 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.245 4.110 -11.782 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.802 3.168 -11.463 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.479 2.483 -13.437 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.647 1.259 -12.499 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.519 2.057 -12.422 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.791 0.504 -12.059 1.00 0.00 H new ATOM 327 N GLU A 24 -13.703 4.769 -9.817 1.00 0.00 N ATOM 328 CA GLU A 24 -14.115 5.983 -9.121 1.00 0.00 C ATOM 329 C GLU A 24 -14.451 5.686 -7.662 1.00 0.00 C ATOM 330 O GLU A 24 -13.939 6.337 -6.752 1.00 0.00 O ATOM 331 CB GLU A 24 -15.324 6.611 -9.817 1.00 0.00 C ATOM 332 CG GLU A 24 -16.235 7.382 -8.876 1.00 0.00 C ATOM 333 CD GLU A 24 -17.053 8.438 -9.593 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.846 8.072 -10.486 1.00 0.00 O ATOM 335 OE2 GLU A 24 -16.901 9.633 -9.260 1.00 0.00 O ATOM 0 H GLU A 24 -14.161 4.622 -10.716 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.283 6.687 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.973 7.282 -10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.901 5.825 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.907 6.685 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.633 7.857 -8.102 1.00 0.00 H new ATOM 342 N GLU A 25 -15.315 4.698 -7.450 1.00 0.00 N ATOM 343 CA GLU A 25 -15.721 4.316 -6.102 1.00 0.00 C ATOM 344 C GLU A 25 -14.503 4.036 -5.226 1.00 0.00 C ATOM 345 O GLU A 25 -14.396 4.546 -4.110 1.00 0.00 O ATOM 346 CB GLU A 25 -16.625 3.083 -6.148 1.00 0.00 C ATOM 347 CG GLU A 25 -17.602 3.000 -4.987 1.00 0.00 C ATOM 348 CD GLU A 25 -18.271 4.329 -4.692 1.00 0.00 C ATOM 349 OE1 GLU A 25 -18.947 4.867 -5.594 1.00 0.00 O ATOM 350 OE2 GLU A 25 -18.119 4.831 -3.559 1.00 0.00 O ATOM 0 H GLU A 25 -15.747 4.148 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.276 5.148 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.185 3.088 -7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.004 2.187 -6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.365 2.255 -5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.075 2.657 -4.097 1.00 0.00 H new ATOM 357 N LEU A 26 -13.588 3.221 -5.739 1.00 0.00 N ATOM 358 CA LEU A 26 -12.377 2.871 -5.005 1.00 0.00 C ATOM 359 C LEU A 26 -11.374 4.019 -5.031 1.00 0.00 C ATOM 360 O LEU A 26 -10.368 3.994 -4.320 1.00 0.00 O ATOM 361 CB LEU A 26 -11.744 1.611 -5.598 1.00 0.00 C ATOM 362 CG LEU A 26 -10.709 0.904 -4.722 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.371 0.312 -3.487 1.00 0.00 C ATOM 364 CD2 LEU A 26 -9.989 -0.177 -5.514 1.00 0.00 C ATOM 0 H LEU A 26 -13.662 2.790 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.653 2.678 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.540 0.903 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.270 1.877 -6.543 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.973 1.639 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.620 -0.187 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.839 1.108 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.129 -0.410 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.256 -0.669 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.713 -0.911 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.482 0.274 -6.367 1.00 0.00 H new ATOM 376 N TYR A 27 -11.654 5.025 -5.852 1.00 0.00 N ATOM 377 CA TYR A 27 -10.776 6.183 -5.970 1.00 0.00 C ATOM 378 C TYR A 27 -10.850 7.053 -4.720 1.00 0.00 C ATOM 379 O TYR A 27 -9.849 7.624 -4.287 1.00 0.00 O ATOM 380 CB TYR A 27 -11.150 7.008 -7.203 1.00 0.00 C ATOM 381 CG TYR A 27 -10.139 8.081 -7.542 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.775 7.834 -7.445 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.548 9.342 -7.958 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.849 8.811 -7.753 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.629 10.324 -8.269 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.280 10.054 -8.165 1.00 0.00 C ATOM 387 OH TYR A 27 -7.361 11.031 -8.473 1.00 0.00 O ATOM 0 H TYR A 27 -12.482 5.062 -6.446 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.753 5.822 -6.078 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.259 6.340 -8.057 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.121 7.475 -7.037 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.433 6.861 -7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.603 9.558 -8.039 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.792 8.602 -7.672 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.964 11.299 -8.592 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.573 10.620 -8.885 1.00 0.00 H new ATOM 397 N ARG A 28 -12.044 7.149 -4.143 1.00 0.00 N ATOM 398 CA ARG A 28 -12.251 7.949 -2.942 1.00 0.00 C ATOM 399 C ARG A 28 -11.871 7.161 -1.692 1.00 0.00 C ATOM 400 O ARG A 28 -11.195 7.677 -0.802 1.00 0.00 O ATOM 401 CB ARG A 28 -13.709 8.402 -2.850 1.00 0.00 C ATOM 402 CG ARG A 28 -14.398 8.516 -4.200 1.00 0.00 C ATOM 403 CD ARG A 28 -15.436 7.422 -4.391 1.00 0.00 C ATOM 404 NE ARG A 28 -16.767 7.850 -3.968 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.566 8.607 -4.711 1.00 0.00 C ATOM 406 NH1 ARG A 28 -17.171 9.018 -5.908 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.763 8.955 -4.256 1.00 0.00 N ATOM 0 H ARG A 28 -12.883 6.682 -4.488 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.609 8.827 -3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.261 7.697 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.749 9.369 -2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.877 9.492 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.655 8.456 -4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -15.466 7.130 -5.441 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.141 6.540 -3.823 1.00 0.00 H new ATOM 0 HE ARG A 28 -17.101 7.551 -3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.251 8.753 -6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.787 9.599 -6.476 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -19.070 8.641 -3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.376 9.536 -4.827 1.00 0.00 H new ATOM 421 N VAL A 29 -12.312 5.909 -1.632 1.00 0.00 N ATOM 422 CA VAL A 29 -12.018 5.049 -0.491 1.00 0.00 C ATOM 423 C VAL A 29 -10.555 5.165 -0.078 1.00 0.00 C ATOM 424 O VAL A 29 -10.202 4.909 1.073 1.00 0.00 O ATOM 425 CB VAL A 29 -12.338 3.575 -0.802 1.00 0.00 C ATOM 426 CG1 VAL A 29 -11.920 2.682 0.356 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.818 3.405 -1.111 1.00 0.00 C ATOM 0 H VAL A 29 -12.874 5.467 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.651 5.385 0.330 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.770 3.276 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.154 1.644 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.848 2.783 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.458 2.978 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.026 2.357 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.408 3.721 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.082 4.014 -1.976 1.00 0.00 H new ATOM 437 N PHE A 30 -9.708 5.551 -1.025 1.00 0.00 N ATOM 438 CA PHE A 30 -8.281 5.700 -0.760 1.00 0.00 C ATOM 439 C PHE A 30 -7.896 7.174 -0.670 1.00 0.00 C ATOM 440 O PHE A 30 -6.883 7.528 -0.066 1.00 0.00 O ATOM 441 CB PHE A 30 -7.463 5.014 -1.856 1.00 0.00 C ATOM 442 CG PHE A 30 -7.329 3.531 -1.664 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.369 2.679 -1.996 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.161 2.989 -1.151 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.249 1.313 -1.820 1.00 0.00 C ATOM 446 CE2 PHE A 30 -6.035 1.624 -0.974 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.080 0.785 -1.308 1.00 0.00 C ATOM 0 H PHE A 30 -9.984 5.767 -1.983 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.063 5.226 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.931 5.207 -2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.469 5.459 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.285 3.087 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.341 3.640 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.068 0.660 -2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.119 1.214 -0.575 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.983 -0.282 -1.169 1.00 0.00 H new ATOM 457 N THR A 31 -8.713 8.031 -1.275 1.00 0.00 N ATOM 458 CA THR A 31 -8.458 9.466 -1.265 1.00 0.00 C ATOM 459 C THR A 31 -9.515 10.207 -0.454 1.00 0.00 C ATOM 460 O THR A 31 -9.800 11.378 -0.708 1.00 0.00 O ATOM 461 CB THR A 31 -8.427 10.041 -2.694 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.748 10.053 -3.246 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.505 9.224 -3.586 1.00 0.00 C ATOM 0 H THR A 31 -9.557 7.756 -1.778 1.00 0.00 H new ATOM 0 HA THR A 31 -7.482 9.610 -0.802 1.00 0.00 H new ATOM 0 HB THR A 31 -8.046 11.061 -2.644 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.813 9.378 -3.954 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.499 9.649 -4.590 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.494 9.242 -3.178 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.860 8.194 -3.630 1.00 0.00 H new ATOM 471 N THR A 32 -10.095 9.517 0.523 1.00 0.00 N ATOM 472 CA THR A 32 -11.122 10.110 1.371 1.00 0.00 C ATOM 473 C THR A 32 -10.964 9.662 2.820 1.00 0.00 C ATOM 474 O THR A 32 -11.292 8.527 3.167 1.00 0.00 O ATOM 475 CB THR A 32 -12.535 9.741 0.883 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.645 9.979 -0.525 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.591 10.549 1.622 1.00 0.00 C ATOM 0 H THR A 32 -9.871 8.547 0.747 1.00 0.00 H new ATOM 0 HA THR A 32 -10.996 11.191 1.312 1.00 0.00 H new ATOM 0 HB THR A 32 -12.701 8.683 1.087 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.376 10.610 -0.694 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.581 10.271 1.260 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.524 10.344 2.690 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.425 11.612 1.445 1.00 0.00 H new ATOM 485 N GLN A 33 -10.462 10.559 3.661 1.00 0.00 N ATOM 486 CA GLN A 33 -10.262 10.255 5.073 1.00 0.00 C ATOM 487 C GLN A 33 -11.452 9.487 5.638 1.00 0.00 C ATOM 488 O GLN A 33 -11.320 8.333 6.046 1.00 0.00 O ATOM 489 CB GLN A 33 -10.047 11.543 5.869 1.00 0.00 C ATOM 490 CG GLN A 33 -9.933 11.321 7.368 1.00 0.00 C ATOM 491 CD GLN A 33 -9.573 12.586 8.121 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.243 13.608 7.518 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.635 12.525 9.446 1.00 0.00 N ATOM 0 H GLN A 33 -10.186 11.503 3.390 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.374 9.630 5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.141 12.033 5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.875 12.224 5.673 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.879 10.934 7.747 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.177 10.560 7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.913 11.657 9.904 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.404 13.346 10.006 1.00 0.00 H new ATOM 502 N GLU A 34 -12.612 10.135 5.660 1.00 0.00 N ATOM 503 CA GLU A 34 -13.825 9.512 6.176 1.00 0.00 C ATOM 504 C GLU A 34 -13.922 8.056 5.729 1.00 0.00 C ATOM 505 O GLU A 34 -13.979 7.143 6.555 1.00 0.00 O ATOM 506 CB GLU A 34 -15.061 10.283 5.709 1.00 0.00 C ATOM 507 CG GLU A 34 -16.371 9.679 6.184 1.00 0.00 C ATOM 508 CD GLU A 34 -17.574 10.250 5.457 1.00 0.00 C ATOM 509 OE1 GLU A 34 -17.613 11.480 5.248 1.00 0.00 O ATOM 510 OE2 GLU A 34 -18.476 9.465 5.098 1.00 0.00 O ATOM 0 H GLU A 34 -12.737 11.091 5.327 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.780 9.538 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.994 11.311 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.063 10.324 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.343 8.599 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.481 9.854 7.254 1.00 0.00 H new ATOM 517 N LEU A 35 -13.940 7.846 4.418 1.00 0.00 N ATOM 518 CA LEU A 35 -14.030 6.502 3.859 1.00 0.00 C ATOM 519 C LEU A 35 -12.978 5.584 4.474 1.00 0.00 C ATOM 520 O LEU A 35 -13.204 4.386 4.639 1.00 0.00 O ATOM 521 CB LEU A 35 -13.858 6.547 2.340 1.00 0.00 C ATOM 522 CG LEU A 35 -14.868 7.403 1.575 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.661 7.261 0.075 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.290 7.019 1.957 1.00 0.00 C ATOM 0 H LEU A 35 -13.893 8.590 3.722 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.016 6.103 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.857 6.917 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.913 5.528 1.958 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.709 8.447 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.389 7.877 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.654 7.586 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.792 6.218 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.995 7.638 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.461 5.970 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.434 7.173 3.026 1.00 0.00 H new ATOM 536 N VAL A 36 -11.828 6.157 4.815 1.00 0.00 N ATOM 537 CA VAL A 36 -10.742 5.392 5.415 1.00 0.00 C ATOM 538 C VAL A 36 -11.098 4.949 6.830 1.00 0.00 C ATOM 539 O VAL A 36 -10.926 3.785 7.188 1.00 0.00 O ATOM 540 CB VAL A 36 -9.436 6.208 5.458 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.280 5.343 5.936 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.137 6.805 4.091 1.00 0.00 C ATOM 0 H VAL A 36 -11.625 7.148 4.686 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.591 4.513 4.789 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.562 7.026 6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.366 5.937 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.495 4.969 6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.149 4.502 5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.211 7.378 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.030 6.004 3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.955 7.461 3.794 1.00 0.00 H new ATOM 552 N GLN A 37 -11.596 5.887 7.630 1.00 0.00 N ATOM 553 CA GLN A 37 -11.976 5.593 9.006 1.00 0.00 C ATOM 554 C GLN A 37 -13.151 4.622 9.051 1.00 0.00 C ATOM 555 O GLN A 37 -13.570 4.188 10.124 1.00 0.00 O ATOM 556 CB GLN A 37 -12.338 6.884 9.744 1.00 0.00 C ATOM 557 CG GLN A 37 -11.156 7.538 10.441 1.00 0.00 C ATOM 558 CD GLN A 37 -11.472 8.934 10.941 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.777 9.130 12.118 1.00 0.00 O ATOM 560 NE2 GLN A 37 -11.401 9.913 10.047 1.00 0.00 N ATOM 0 H GLN A 37 -11.745 6.856 7.349 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.124 5.126 9.500 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.767 7.591 9.034 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.110 6.666 10.482 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.846 6.917 11.281 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.313 7.585 9.751 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.144 9.705 9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.603 10.873 10.325 1.00 0.00 H new ATOM 569 N ALA A 38 -13.678 4.285 7.879 1.00 0.00 N ATOM 570 CA ALA A 38 -14.804 3.363 7.784 1.00 0.00 C ATOM 571 C ALA A 38 -14.325 1.918 7.703 1.00 0.00 C ATOM 572 O ALA A 38 -14.901 1.026 8.325 1.00 0.00 O ATOM 573 CB ALA A 38 -15.665 3.704 6.577 1.00 0.00 C ATOM 0 H ALA A 38 -13.344 4.636 6.982 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.405 3.469 8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.502 3.008 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.045 4.721 6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.066 3.628 5.670 1.00 0.00 H new ATOM 579 N PHE A 39 -13.266 1.693 6.931 1.00 0.00 N ATOM 580 CA PHE A 39 -12.710 0.355 6.767 1.00 0.00 C ATOM 581 C PHE A 39 -11.529 0.138 7.708 1.00 0.00 C ATOM 582 O PHE A 39 -11.021 -0.977 7.840 1.00 0.00 O ATOM 583 CB PHE A 39 -12.270 0.136 5.318 1.00 0.00 C ATOM 584 CG PHE A 39 -10.962 0.793 4.983 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.768 0.267 5.450 1.00 0.00 C ATOM 586 CD2 PHE A 39 -10.926 1.937 4.202 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.563 0.870 5.144 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.723 2.545 3.893 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.540 2.010 4.363 1.00 0.00 C ATOM 0 H PHE A 39 -12.776 2.420 6.410 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.487 -0.367 7.016 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.189 -0.934 5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.042 0.520 4.650 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.779 -0.624 6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.848 2.359 3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.639 0.451 5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.709 3.437 3.285 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.599 2.481 4.121 1.00 0.00 H new ATOM 599 N THR A 40 -11.094 1.212 8.359 1.00 0.00 N ATOM 600 CA THR A 40 -9.971 1.141 9.286 1.00 0.00 C ATOM 601 C THR A 40 -10.448 1.200 10.733 1.00 0.00 C ATOM 602 O THR A 40 -9.746 0.765 11.647 1.00 0.00 O ATOM 603 CB THR A 40 -8.967 2.283 9.041 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.605 3.548 9.250 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.408 2.218 7.628 1.00 0.00 C ATOM 0 H THR A 40 -11.502 2.142 8.262 1.00 0.00 H new ATOM 0 HA THR A 40 -9.475 0.187 9.109 1.00 0.00 H new ATOM 0 HB THR A 40 -8.143 2.171 9.746 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.399 3.612 8.679 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.701 3.034 7.478 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.898 1.266 7.482 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.223 2.307 6.910 1.00 0.00 H new ATOM 613 N HIS A 41 -11.646 1.740 10.935 1.00 0.00 N ATOM 614 CA HIS A 41 -12.217 1.855 12.272 1.00 0.00 C ATOM 615 C HIS A 41 -11.176 2.359 13.266 1.00 0.00 C ATOM 616 O HIS A 41 -11.082 1.862 14.388 1.00 0.00 O ATOM 617 CB HIS A 41 -12.767 0.504 12.732 1.00 0.00 C ATOM 618 CG HIS A 41 -13.886 -0.009 11.880 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.181 0.453 11.980 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.898 -0.950 10.907 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.942 -0.182 11.106 1.00 0.00 C ATOM 622 NE2 HIS A 41 -15.187 -1.039 10.442 1.00 0.00 N ATOM 0 H HIS A 41 -12.240 2.105 10.190 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.033 2.576 12.231 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.958 -0.227 12.733 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.117 0.595 13.760 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -13.051 -1.524 10.561 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -17.001 -0.027 10.959 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.509 -1.665 9.704 1.00 0.00 H new ATOM 631 N ALA A 42 -10.395 3.349 12.847 1.00 0.00 N ATOM 632 CA ALA A 42 -9.361 3.922 13.701 1.00 0.00 C ATOM 633 C ALA A 42 -9.028 5.348 13.277 1.00 0.00 C ATOM 634 O ALA A 42 -9.185 5.730 12.118 1.00 0.00 O ATOM 635 CB ALA A 42 -8.112 3.054 13.671 1.00 0.00 C ATOM 0 H ALA A 42 -10.458 3.771 11.921 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.743 3.954 14.721 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.348 3.493 14.313 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.355 2.054 14.029 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.736 2.992 12.650 1.00 0.00 H new ATOM 641 N PRO A 43 -8.555 6.156 14.239 1.00 0.00 N ATOM 642 CA PRO A 43 -8.190 7.553 13.989 1.00 0.00 C ATOM 643 C PRO A 43 -7.311 7.711 12.753 1.00 0.00 C ATOM 644 O PRO A 43 -6.086 7.631 12.836 1.00 0.00 O ATOM 645 CB PRO A 43 -7.416 7.948 15.249 1.00 0.00 C ATOM 646 CG PRO A 43 -7.937 7.044 16.313 1.00 0.00 C ATOM 647 CD PRO A 43 -8.342 5.767 15.643 1.00 0.00 C ATOM 0 HA PRO A 43 -9.065 8.174 13.797 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.343 7.819 15.111 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.581 8.995 15.503 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.174 6.858 17.069 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.787 7.498 16.823 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.568 5.005 15.733 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.249 5.354 16.085 1.00 0.00 H new ATOM 655 N ALA A 44 -7.945 7.934 11.606 1.00 0.00 N ATOM 656 CA ALA A 44 -7.220 8.105 10.353 1.00 0.00 C ATOM 657 C ALA A 44 -7.389 9.520 9.810 1.00 0.00 C ATOM 658 O ALA A 44 -8.480 10.090 9.860 1.00 0.00 O ATOM 659 CB ALA A 44 -7.690 7.084 9.328 1.00 0.00 C ATOM 0 H ALA A 44 -8.959 8.000 11.519 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.160 7.944 10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.140 7.223 8.397 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.511 6.078 9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.756 7.218 9.143 1.00 0.00 H new ATOM 665 N THR A 45 -6.302 10.083 9.291 1.00 0.00 N ATOM 666 CA THR A 45 -6.330 11.432 8.740 1.00 0.00 C ATOM 667 C THR A 45 -5.797 11.454 7.312 1.00 0.00 C ATOM 668 O THR A 45 -4.586 11.449 7.090 1.00 0.00 O ATOM 669 CB THR A 45 -5.503 12.407 9.599 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.042 12.471 10.924 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.493 13.798 8.982 1.00 0.00 C ATOM 0 H THR A 45 -5.392 9.626 9.241 1.00 0.00 H new ATOM 0 HA THR A 45 -7.372 11.752 8.741 1.00 0.00 H new ATOM 0 HB THR A 45 -4.478 12.039 9.642 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.510 13.092 11.464 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.903 14.469 9.606 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.055 13.751 7.985 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.514 14.172 8.912 1.00 0.00 H new ATOM 679 N LEU A 46 -6.709 11.478 6.345 1.00 0.00 N ATOM 680 CA LEU A 46 -6.330 11.501 4.937 1.00 0.00 C ATOM 681 C LEU A 46 -6.596 12.873 4.324 1.00 0.00 C ATOM 682 O LEU A 46 -7.600 13.515 4.630 1.00 0.00 O ATOM 683 CB LEU A 46 -7.099 10.428 4.164 1.00 0.00 C ATOM 684 CG LEU A 46 -6.453 9.944 2.865 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.733 8.465 2.648 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.952 10.762 1.684 1.00 0.00 C ATOM 0 H LEU A 46 -7.715 11.482 6.511 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.262 11.294 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.240 9.568 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.090 10.817 3.931 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.375 10.080 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.266 8.139 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.325 7.892 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.809 8.303 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.482 10.403 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.034 10.658 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.699 11.811 1.835 1.00 0.00 H new ATOM 698 N GLU A 47 -5.690 13.313 3.456 1.00 0.00 N ATOM 699 CA GLU A 47 -5.829 14.608 2.800 1.00 0.00 C ATOM 700 C GLU A 47 -5.580 14.486 1.299 1.00 0.00 C ATOM 701 O GLU A 47 -4.436 14.505 0.846 1.00 0.00 O ATOM 702 CB GLU A 47 -4.856 15.620 3.409 1.00 0.00 C ATOM 703 CG GLU A 47 -5.124 15.914 4.875 1.00 0.00 C ATOM 704 CD GLU A 47 -4.664 17.300 5.285 1.00 0.00 C ATOM 705 OE1 GLU A 47 -5.137 18.286 4.682 1.00 0.00 O ATOM 706 OE2 GLU A 47 -3.830 17.398 6.210 1.00 0.00 O ATOM 0 H GLU A 47 -4.854 12.793 3.191 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.850 14.958 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.839 15.243 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.912 16.551 2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.192 15.816 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.617 15.170 5.490 1.00 0.00 H new ATOM 713 N ALA A 48 -6.659 14.361 0.534 1.00 0.00 N ATOM 714 CA ALA A 48 -6.559 14.238 -0.915 1.00 0.00 C ATOM 715 C ALA A 48 -5.922 15.480 -1.528 1.00 0.00 C ATOM 716 O ALA A 48 -6.605 16.467 -1.804 1.00 0.00 O ATOM 717 CB ALA A 48 -7.933 13.993 -1.520 1.00 0.00 C ATOM 0 H ALA A 48 -7.613 14.342 0.894 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.919 13.385 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.843 13.903 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.351 13.072 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.591 14.828 -1.279 1.00 0.00 H new ATOM 723 N ASP A 49 -4.612 15.425 -1.739 1.00 0.00 N ATOM 724 CA ASP A 49 -3.883 16.546 -2.321 1.00 0.00 C ATOM 725 C ASP A 49 -2.430 16.168 -2.592 1.00 0.00 C ATOM 726 O ASP A 49 -1.832 15.389 -1.849 1.00 0.00 O ATOM 727 CB ASP A 49 -3.942 17.758 -1.390 1.00 0.00 C ATOM 728 CG ASP A 49 -5.141 18.644 -1.668 1.00 0.00 C ATOM 729 OD1 ASP A 49 -5.492 18.811 -2.854 1.00 0.00 O ATOM 730 OD2 ASP A 49 -5.728 19.169 -0.699 1.00 0.00 O ATOM 0 H ASP A 49 -4.033 14.616 -1.516 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.356 16.802 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.978 17.416 -0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.029 18.342 -1.501 1.00 0.00 H new ATOM 735 N ARG A 50 -1.869 16.723 -3.661 1.00 0.00 N ATOM 736 CA ARG A 50 -0.487 16.442 -4.031 1.00 0.00 C ATOM 737 C ARG A 50 0.468 16.844 -2.912 1.00 0.00 C ATOM 738 O ARG A 50 0.810 18.017 -2.765 1.00 0.00 O ATOM 739 CB ARG A 50 -0.122 17.183 -5.319 1.00 0.00 C ATOM 740 CG ARG A 50 -0.480 16.420 -6.584 1.00 0.00 C ATOM 741 CD ARG A 50 0.434 16.795 -7.739 1.00 0.00 C ATOM 742 NE ARG A 50 -0.010 16.210 -9.001 1.00 0.00 N ATOM 743 CZ ARG A 50 -1.011 16.698 -9.726 1.00 0.00 C ATOM 744 NH1 ARG A 50 -1.667 17.774 -9.316 1.00 0.00 N ATOM 745 NH2 ARG A 50 -1.356 16.109 -10.864 1.00 0.00 N ATOM 0 H ARG A 50 -2.350 17.370 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.392 15.369 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.631 18.147 -5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.949 17.388 -5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.409 15.349 -6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.515 16.629 -6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.470 17.880 -7.835 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.448 16.461 -7.522 1.00 0.00 H new ATOM 0 HE ARG A 50 0.475 15.381 -9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.404 18.230 -8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.435 18.147 -9.874 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.853 15.281 -11.183 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.124 16.484 -11.420 1.00 0.00 H new ATOM 759 N GLY A 51 0.896 15.862 -2.124 1.00 0.00 N ATOM 760 CA GLY A 51 1.807 16.133 -1.028 1.00 0.00 C ATOM 761 C GLY A 51 1.136 16.013 0.326 1.00 0.00 C ATOM 762 O GLY A 51 1.791 16.116 1.363 1.00 0.00 O ATOM 0 H GLY A 51 0.628 14.883 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.646 15.439 -1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.216 17.137 -1.140 1.00 0.00 H new ATOM 766 N GLY A 52 -0.175 15.796 0.319 1.00 0.00 N ATOM 767 CA GLY A 52 -0.913 15.668 1.562 1.00 0.00 C ATOM 768 C GLY A 52 -0.412 14.521 2.418 1.00 0.00 C ATOM 769 O GLY A 52 0.489 13.784 2.017 1.00 0.00 O ATOM 0 H GLY A 52 -0.740 15.706 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.835 16.598 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.969 15.517 1.340 1.00 0.00 H new ATOM 773 N LYS A 53 -0.995 14.370 3.602 1.00 0.00 N ATOM 774 CA LYS A 53 -0.603 13.306 4.519 1.00 0.00 C ATOM 775 C LYS A 53 -1.785 12.395 4.831 1.00 0.00 C ATOM 776 O LYS A 53 -2.889 12.865 5.106 1.00 0.00 O ATOM 777 CB LYS A 53 -0.047 13.901 5.814 1.00 0.00 C ATOM 778 CG LYS A 53 1.455 14.123 5.786 1.00 0.00 C ATOM 779 CD LYS A 53 1.858 15.068 4.667 1.00 0.00 C ATOM 780 CE LYS A 53 3.208 15.713 4.941 1.00 0.00 C ATOM 781 NZ LYS A 53 3.070 16.983 5.706 1.00 0.00 N ATOM 0 H LYS A 53 -1.742 14.972 3.950 1.00 0.00 H new ATOM 0 HA LYS A 53 0.173 12.712 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.543 14.852 6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.292 13.238 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.781 14.530 6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.963 13.167 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.899 14.521 3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.100 15.843 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.836 15.019 5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.714 15.911 3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.012 17.392 5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.492 17.655 5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.610 16.790 6.618 1.00 0.00 H new ATOM 795 N PHE A 54 -1.546 11.088 4.789 1.00 0.00 N ATOM 796 CA PHE A 54 -2.592 10.110 5.069 1.00 0.00 C ATOM 797 C PHE A 54 -2.193 9.205 6.230 1.00 0.00 C ATOM 798 O PHE A 54 -1.219 8.456 6.143 1.00 0.00 O ATOM 799 CB PHE A 54 -2.877 9.267 3.824 1.00 0.00 C ATOM 800 CG PHE A 54 -1.854 8.194 3.580 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.967 6.958 4.196 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.780 8.422 2.736 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.027 5.969 3.973 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.162 7.437 2.509 1.00 0.00 C ATOM 805 CZ PHE A 54 0.039 6.209 3.129 1.00 0.00 C ATOM 0 H PHE A 54 -0.638 10.682 4.564 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.496 10.651 5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.859 8.805 3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.920 9.922 2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.799 6.765 4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.678 9.381 2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.126 5.009 4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.994 7.627 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.775 5.438 2.954 1.00 0.00 H new ATOM 815 N HIS A 55 -2.952 9.280 7.319 1.00 0.00 N ATOM 816 CA HIS A 55 -2.678 8.467 8.499 1.00 0.00 C ATOM 817 C HIS A 55 -3.835 7.513 8.782 1.00 0.00 C ATOM 818 O HIS A 55 -5.002 7.895 8.695 1.00 0.00 O ATOM 819 CB HIS A 55 -2.431 9.362 9.714 1.00 0.00 C ATOM 820 CG HIS A 55 -1.368 8.842 10.633 1.00 0.00 C ATOM 821 ND1 HIS A 55 -0.879 7.555 10.567 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.700 9.446 11.644 1.00 0.00 C ATOM 823 CE1 HIS A 55 0.043 7.388 11.498 1.00 0.00 C ATOM 824 NE2 HIS A 55 0.171 8.521 12.165 1.00 0.00 N ATOM 0 H HIS A 55 -3.761 9.895 7.409 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.783 7.877 8.304 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.148 10.357 9.371 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.361 9.469 10.271 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.182 6.843 9.903 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.828 10.465 11.978 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.598 6.480 11.682 1.00 0.00 H new ATOM 833 N MET A 56 -3.503 6.272 9.121 1.00 0.00 N ATOM 834 CA MET A 56 -4.515 5.264 9.417 1.00 0.00 C ATOM 835 C MET A 56 -4.021 4.295 10.486 1.00 0.00 C ATOM 836 O MET A 56 -2.880 4.386 10.940 1.00 0.00 O ATOM 837 CB MET A 56 -4.887 4.495 8.147 1.00 0.00 C ATOM 838 CG MET A 56 -3.772 4.453 7.115 1.00 0.00 C ATOM 839 SD MET A 56 -3.767 2.922 6.161 1.00 0.00 S ATOM 840 CE MET A 56 -5.411 2.960 5.452 1.00 0.00 C ATOM 0 H MET A 56 -2.542 5.940 9.198 1.00 0.00 H new ATOM 0 HA MET A 56 -5.400 5.775 9.796 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.160 3.475 8.416 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.769 4.954 7.699 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.878 5.299 6.436 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.812 4.566 7.618 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.362 2.662 4.405 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.058 2.271 5.995 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.815 3.970 5.524 1.00 0.00 H new ATOM 850 N VAL A 57 -4.887 3.369 10.885 1.00 0.00 N ATOM 851 CA VAL A 57 -4.537 2.383 11.900 1.00 0.00 C ATOM 852 C VAL A 57 -4.251 3.051 13.240 1.00 0.00 C ATOM 853 O VAL A 57 -3.297 2.694 13.932 1.00 0.00 O ATOM 854 CB VAL A 57 -3.309 1.554 11.479 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.139 0.349 12.391 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.433 1.120 10.026 1.00 0.00 C ATOM 0 H VAL A 57 -5.836 3.281 10.521 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.395 1.719 12.004 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.421 2.179 11.574 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.266 -0.224 12.078 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.002 0.687 13.418 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.027 -0.280 12.332 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.557 0.535 9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.330 0.512 9.903 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.501 2.001 9.388 1.00 0.00 H new ATOM 866 N ASP A 58 -5.082 4.023 13.600 1.00 0.00 N ATOM 867 CA ASP A 58 -4.920 4.741 14.858 1.00 0.00 C ATOM 868 C ASP A 58 -3.617 5.535 14.866 1.00 0.00 C ATOM 869 O ASP A 58 -3.027 5.769 15.920 1.00 0.00 O ATOM 870 CB ASP A 58 -4.943 3.764 16.035 1.00 0.00 C ATOM 871 CG ASP A 58 -5.482 4.397 17.302 1.00 0.00 C ATOM 872 OD1 ASP A 58 -4.851 5.351 17.805 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.535 3.939 17.792 1.00 0.00 O ATOM 0 H ASP A 58 -5.875 4.332 13.038 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.751 5.439 14.959 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.555 2.901 15.775 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.934 3.396 16.217 1.00 0.00 H new ATOM 878 N GLY A 59 -3.173 5.947 13.682 1.00 0.00 N ATOM 879 CA GLY A 59 -1.943 6.709 13.575 1.00 0.00 C ATOM 880 C GLY A 59 -0.713 5.824 13.550 1.00 0.00 C ATOM 881 O GLY A 59 0.383 6.263 13.895 1.00 0.00 O ATOM 0 H GLY A 59 -3.644 5.766 12.795 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.971 7.313 12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.873 7.400 14.415 1.00 0.00 H new ATOM 885 N ASN A 60 -0.895 4.572 13.142 1.00 0.00 N ATOM 886 CA ASN A 60 0.209 3.622 13.075 1.00 0.00 C ATOM 887 C ASN A 60 0.811 3.584 11.674 1.00 0.00 C ATOM 888 O ASN A 60 1.957 3.173 11.489 1.00 0.00 O ATOM 889 CB ASN A 60 -0.268 2.224 13.475 1.00 0.00 C ATOM 890 CG ASN A 60 -0.127 1.968 14.963 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.961 1.665 15.451 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.231 2.089 15.691 1.00 0.00 N ATOM 0 H ASN A 60 -1.796 4.192 12.853 1.00 0.00 H new ATOM 0 HA ASN A 60 0.979 3.950 13.773 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.312 2.103 13.186 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.304 1.477 12.925 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.198 1.929 16.698 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.112 2.342 15.243 1.00 0.00 H new ATOM 899 N VAL A 61 0.031 4.017 10.689 1.00 0.00 N ATOM 900 CA VAL A 61 0.487 4.035 9.304 1.00 0.00 C ATOM 901 C VAL A 61 0.270 5.406 8.672 1.00 0.00 C ATOM 902 O VAL A 61 -0.865 5.853 8.509 1.00 0.00 O ATOM 903 CB VAL A 61 -0.241 2.972 8.460 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.144 3.100 6.994 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.067 1.576 8.981 1.00 0.00 C ATOM 0 H VAL A 61 -0.920 4.360 10.824 1.00 0.00 H new ATOM 0 HA VAL A 61 1.553 3.809 9.318 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.315 3.138 8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.380 2.341 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.132 4.090 6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.220 2.961 6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.455 0.837 8.373 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.141 1.396 8.927 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.263 1.493 10.016 1.00 0.00 H new ATOM 915 N SER A 62 1.367 6.067 8.317 1.00 0.00 N ATOM 916 CA SER A 62 1.298 7.389 7.705 1.00 0.00 C ATOM 917 C SER A 62 1.991 7.396 6.346 1.00 0.00 C ATOM 918 O SER A 62 2.559 6.391 5.921 1.00 0.00 O ATOM 919 CB SER A 62 1.938 8.433 8.622 1.00 0.00 C ATOM 920 OG SER A 62 3.319 8.171 8.806 1.00 0.00 O ATOM 0 H SER A 62 2.314 5.709 8.443 1.00 0.00 H new ATOM 0 HA SER A 62 0.247 7.640 7.559 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.807 9.427 8.194 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.433 8.432 9.588 1.00 0.00 H new ATOM 0 HG SER A 62 3.706 8.853 9.394 1.00 0.00 H new ATOM 926 N GLY A 63 1.939 8.538 5.668 1.00 0.00 N ATOM 927 CA GLY A 63 2.565 8.656 4.364 1.00 0.00 C ATOM 928 C GLY A 63 2.391 10.035 3.759 1.00 0.00 C ATOM 929 O GLY A 63 2.041 10.986 4.458 1.00 0.00 O ATOM 0 H GLY A 63 1.474 9.384 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.628 8.434 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.139 7.911 3.691 1.00 0.00 H new ATOM 933 N GLU A 64 2.637 10.144 2.457 1.00 0.00 N ATOM 934 CA GLU A 64 2.507 11.418 1.760 1.00 0.00 C ATOM 935 C GLU A 64 2.166 11.201 0.289 1.00 0.00 C ATOM 936 O GLU A 64 2.743 10.339 -0.373 1.00 0.00 O ATOM 937 CB GLU A 64 3.801 12.225 1.882 1.00 0.00 C ATOM 938 CG GLU A 64 4.786 11.969 0.754 1.00 0.00 C ATOM 939 CD GLU A 64 6.005 12.868 0.827 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.544 13.046 1.940 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.419 13.394 -0.227 1.00 0.00 O ATOM 0 H GLU A 64 2.927 9.366 1.864 1.00 0.00 H new ATOM 0 HA GLU A 64 1.694 11.976 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.556 13.287 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.280 11.987 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.105 10.927 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.285 12.120 -0.202 1.00 0.00 H new ATOM 948 N PHE A 65 1.223 11.990 -0.216 1.00 0.00 N ATOM 949 CA PHE A 65 0.803 11.884 -1.609 1.00 0.00 C ATOM 950 C PHE A 65 1.809 12.562 -2.534 1.00 0.00 C ATOM 951 O PHE A 65 2.101 13.750 -2.390 1.00 0.00 O ATOM 952 CB PHE A 65 -0.581 12.510 -1.795 1.00 0.00 C ATOM 953 CG PHE A 65 -1.703 11.639 -1.307 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.512 10.769 -0.247 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.950 11.691 -1.910 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.543 9.967 0.205 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.985 10.892 -1.462 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.780 10.027 -0.404 1.00 0.00 C ATOM 0 H PHE A 65 0.735 12.709 0.318 1.00 0.00 H new ATOM 0 HA PHE A 65 0.754 10.826 -1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.614 13.462 -1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.734 12.727 -2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.546 10.716 0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.115 12.363 -2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.381 9.294 1.034 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.953 10.944 -1.938 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.586 9.399 -0.054 1.00 0.00 H new ATOM 968 N THR A 66 2.339 11.799 -3.484 1.00 0.00 N ATOM 969 CA THR A 66 3.314 12.324 -4.432 1.00 0.00 C ATOM 970 C THR A 66 2.689 12.528 -5.807 1.00 0.00 C ATOM 971 O THR A 66 3.067 13.440 -6.543 1.00 0.00 O ATOM 972 CB THR A 66 4.528 11.386 -4.567 1.00 0.00 C ATOM 973 OG1 THR A 66 4.095 10.076 -4.949 1.00 0.00 O ATOM 974 CG2 THR A 66 5.299 11.308 -3.258 1.00 0.00 C ATOM 0 H THR A 66 2.109 10.814 -3.618 1.00 0.00 H new ATOM 0 HA THR A 66 3.648 13.285 -4.041 1.00 0.00 H new ATOM 0 HB THR A 66 5.187 11.789 -5.336 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.116 10.050 -4.975 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.152 10.640 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.652 12.302 -2.984 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.646 10.926 -2.473 1.00 0.00 H new ATOM 982 N ASP A 67 1.730 11.674 -6.149 1.00 0.00 N ATOM 983 CA ASP A 67 1.051 11.762 -7.436 1.00 0.00 C ATOM 984 C ASP A 67 -0.426 11.405 -7.297 1.00 0.00 C ATOM 985 O ASP A 67 -0.790 10.508 -6.535 1.00 0.00 O ATOM 986 CB ASP A 67 1.719 10.836 -8.454 1.00 0.00 C ATOM 987 CG ASP A 67 1.604 11.356 -9.873 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.579 11.075 -10.527 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.541 12.045 -10.330 1.00 0.00 O ATOM 0 H ASP A 67 1.406 10.913 -5.552 1.00 0.00 H new ATOM 0 HA ASP A 67 1.126 12.791 -7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.772 10.718 -8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.264 9.847 -8.395 1.00 0.00 H new ATOM 994 N LEU A 68 -1.272 12.112 -8.037 1.00 0.00 N ATOM 995 CA LEU A 68 -2.711 11.871 -7.996 1.00 0.00 C ATOM 996 C LEU A 68 -3.335 12.064 -9.375 1.00 0.00 C ATOM 997 O LEU A 68 -3.446 13.187 -9.866 1.00 0.00 O ATOM 998 CB LEU A 68 -3.376 12.808 -6.987 1.00 0.00 C ATOM 999 CG LEU A 68 -3.016 12.579 -5.519 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.490 13.744 -4.664 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.614 11.271 -5.021 1.00 0.00 C ATOM 0 H LEU A 68 -0.987 12.857 -8.673 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.873 10.839 -7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.116 13.834 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.457 12.716 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.931 12.514 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.225 13.563 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.014 14.663 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.572 13.842 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.348 11.124 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.699 11.307 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.224 10.444 -5.614 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.742 10.960 -9.994 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.359 11.008 -11.314 1.00 0.00 C ATOM 1015 C VAL A 69 -5.836 10.636 -11.245 1.00 0.00 C ATOM 1016 O VAL A 69 -6.237 9.715 -10.533 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.648 10.061 -12.300 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.155 10.286 -13.716 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.140 10.252 -12.228 1.00 0.00 C ATOM 0 H VAL A 69 -3.655 10.022 -9.603 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.262 12.033 -11.671 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.875 9.033 -12.018 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.642 9.609 -14.398 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.227 10.095 -13.753 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.960 11.316 -14.013 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.654 9.575 -12.931 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.891 11.282 -12.484 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.794 10.036 -11.217 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.666 11.368 -12.002 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.113 11.133 -12.045 1.00 0.00 C ATOM 1031 C PRO A 70 -8.455 9.660 -12.240 1.00 0.00 C ATOM 1032 O PRO A 70 -8.225 9.097 -13.310 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.569 11.953 -13.254 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.553 13.034 -13.384 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.257 12.481 -12.875 1.00 0.00 C ATOM 0 HA PRO A 70 -8.600 11.416 -11.112 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.612 11.340 -14.154 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.567 12.364 -13.100 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.456 13.349 -14.423 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.849 13.912 -12.811 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.622 12.136 -13.691 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.690 13.233 -12.325 1.00 0.00 H new ATOM 1043 N GLU A 71 -9.005 9.042 -11.200 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.379 7.633 -11.259 1.00 0.00 C ATOM 1045 C GLU A 71 -8.445 6.861 -12.187 1.00 0.00 C ATOM 1046 O GLU A 71 -8.894 6.115 -13.057 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.825 7.486 -11.735 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.804 8.382 -10.995 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.183 8.387 -11.626 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.512 7.416 -12.339 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.932 9.361 -11.405 1.00 0.00 O ATOM 0 H GLU A 71 -9.202 9.494 -10.307 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.291 7.217 -10.255 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.873 7.712 -12.800 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.134 6.448 -11.615 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.884 8.050 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.415 9.400 -10.974 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.144 7.047 -11.995 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.145 6.369 -12.812 1.00 0.00 C ATOM 1060 C LYS A 72 -5.129 5.640 -11.938 1.00 0.00 C ATOM 1061 O LYS A 72 -4.993 4.418 -12.014 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.427 7.374 -13.716 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.191 7.704 -14.986 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.255 7.885 -16.169 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.937 6.556 -16.837 1.00 0.00 C ATOM 1066 NZ LYS A 72 -3.819 6.679 -17.813 1.00 0.00 N ATOM 0 H LYS A 72 -6.756 7.662 -11.280 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.659 5.634 -13.432 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.254 8.294 -13.157 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.449 6.975 -13.984 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.902 6.906 -15.202 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.770 8.615 -14.837 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.711 8.558 -16.895 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.331 8.355 -15.834 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.676 5.821 -16.076 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.825 6.184 -17.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.633 5.752 -18.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.078 7.362 -18.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.964 7.009 -17.322 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.420 6.396 -11.106 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.419 5.821 -10.215 1.00 0.00 C ATOM 1082 C HIS A 73 -3.058 6.798 -9.100 1.00 0.00 C ATOM 1083 O HIS A 73 -3.338 7.994 -9.195 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.164 5.442 -11.002 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.043 6.424 -10.852 1.00 0.00 C ATOM 1086 ND1 HIS A 73 0.282 6.049 -10.782 1.00 0.00 N ATOM 1087 CD2 HIS A 73 -1.055 7.774 -10.761 1.00 0.00 C ATOM 1088 CE1 HIS A 73 1.036 7.126 -10.652 1.00 0.00 C ATOM 1089 NE2 HIS A 73 0.249 8.186 -10.637 1.00 0.00 N ATOM 0 H HIS A 73 -4.520 7.408 -11.030 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.842 4.923 -9.764 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.822 4.460 -10.674 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.420 5.354 -12.058 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.928 8.409 -10.782 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.113 7.137 -10.572 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.559 9.154 -10.548 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.438 6.282 -8.045 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.039 7.109 -6.913 1.00 0.00 C ATOM 1100 C ILE A 74 -0.692 6.665 -6.355 1.00 0.00 C ATOM 1101 O ILE A 74 -0.493 5.491 -6.042 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.089 7.064 -5.787 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.447 7.540 -6.306 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.638 7.916 -4.609 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.612 7.086 -5.454 1.00 0.00 C ATOM 0 H ILE A 74 -2.201 5.295 -7.950 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.957 8.131 -7.282 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.192 6.033 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.446 8.629 -6.356 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.587 7.174 -7.323 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.390 7.875 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.691 7.536 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.510 8.948 -4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.543 7.460 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.638 5.997 -5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.496 7.474 -4.442 1.00 0.00 H new ATOM 1117 N VAL A 75 0.233 7.612 -6.231 1.00 0.00 N ATOM 1118 CA VAL A 75 1.562 7.320 -5.707 1.00 0.00 C ATOM 1119 C VAL A 75 1.818 8.073 -4.407 1.00 0.00 C ATOM 1120 O VAL A 75 1.794 9.303 -4.375 1.00 0.00 O ATOM 1121 CB VAL A 75 2.659 7.686 -6.725 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.995 7.093 -6.305 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.271 7.215 -8.118 1.00 0.00 C ATOM 0 H VAL A 75 0.086 8.588 -6.487 1.00 0.00 H new ATOM 0 HA VAL A 75 1.598 6.248 -5.515 1.00 0.00 H new ATOM 0 HB VAL A 75 2.762 8.771 -6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.758 7.362 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.275 7.484 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.910 6.008 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.057 7.482 -8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.140 6.133 -8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.338 7.692 -8.417 1.00 0.00 H new ATOM 1133 N MET A 76 2.064 7.326 -3.336 1.00 0.00 N ATOM 1134 CA MET A 76 2.326 7.923 -2.032 1.00 0.00 C ATOM 1135 C MET A 76 3.301 7.068 -1.228 1.00 0.00 C ATOM 1136 O MET A 76 3.692 5.983 -1.658 1.00 0.00 O ATOM 1137 CB MET A 76 1.021 8.096 -1.253 1.00 0.00 C ATOM 1138 CG MET A 76 0.433 6.786 -0.754 1.00 0.00 C ATOM 1139 SD MET A 76 -1.349 6.879 -0.495 1.00 0.00 S ATOM 1140 CE MET A 76 -1.870 5.298 -1.158 1.00 0.00 C ATOM 0 H MET A 76 2.087 6.306 -3.345 1.00 0.00 H new ATOM 0 HA MET A 76 2.776 8.902 -2.194 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.200 8.752 -0.401 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.290 8.593 -1.890 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.651 5.997 -1.474 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.918 6.507 0.181 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.952 5.205 -1.069 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.585 5.232 -2.208 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.390 4.494 -0.601 1.00 0.00 H new ATOM 1150 N LYS A 77 3.691 7.565 -0.059 1.00 0.00 N ATOM 1151 CA LYS A 77 4.620 6.846 0.806 1.00 0.00 C ATOM 1152 C LYS A 77 3.868 6.032 1.854 1.00 0.00 C ATOM 1153 O LYS A 77 2.759 6.388 2.251 1.00 0.00 O ATOM 1154 CB LYS A 77 5.572 7.828 1.493 1.00 0.00 C ATOM 1155 CG LYS A 77 6.716 8.288 0.606 1.00 0.00 C ATOM 1156 CD LYS A 77 7.772 9.036 1.401 1.00 0.00 C ATOM 1157 CE LYS A 77 7.464 10.524 1.476 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.638 11.311 1.945 1.00 0.00 N ATOM 0 H LYS A 77 3.378 8.463 0.311 1.00 0.00 H new ATOM 0 HA LYS A 77 5.199 6.161 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.006 8.699 1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.983 7.358 2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.170 7.425 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.329 8.933 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.830 8.624 2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.749 8.888 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.157 10.881 0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.624 10.687 2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.343 12.288 2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.021 10.881 2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.371 11.314 1.207 1.00 0.00 H new ATOM 1172 N TRP A 78 4.481 4.941 2.300 1.00 0.00 N ATOM 1173 CA TRP A 78 3.869 4.078 3.304 1.00 0.00 C ATOM 1174 C TRP A 78 4.898 3.627 4.334 1.00 0.00 C ATOM 1175 O TRP A 78 6.060 3.391 4.002 1.00 0.00 O ATOM 1176 CB TRP A 78 3.230 2.859 2.637 1.00 0.00 C ATOM 1177 CG TRP A 78 2.160 2.219 3.469 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.812 2.410 3.358 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.349 1.289 4.540 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.151 1.653 4.296 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.072 0.956 5.033 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.472 0.702 5.129 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.890 0.064 6.087 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.290 -0.182 6.176 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.008 -0.495 6.645 1.00 0.00 C ATOM 0 H TRP A 78 5.400 4.633 1.983 1.00 0.00 H new ATOM 0 HA TRP A 78 3.096 4.650 3.816 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.805 3.159 1.679 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.005 2.122 2.425 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.336 3.060 2.639 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.860 1.616 4.423 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.465 0.935 4.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.098 -0.178 6.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.151 -0.639 6.640 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.899 -1.191 7.463 1.00 0.00 H new ATOM 1196 N ARG A 79 4.465 3.510 5.585 1.00 0.00 N ATOM 1197 CA ARG A 79 5.350 3.089 6.664 1.00 0.00 C ATOM 1198 C ARG A 79 4.566 2.863 7.953 1.00 0.00 C ATOM 1199 O ARG A 79 3.397 3.233 8.054 1.00 0.00 O ATOM 1200 CB ARG A 79 6.442 4.135 6.895 1.00 0.00 C ATOM 1201 CG ARG A 79 5.933 5.414 7.539 1.00 0.00 C ATOM 1202 CD ARG A 79 7.003 6.070 8.398 1.00 0.00 C ATOM 1203 NE ARG A 79 7.216 5.350 9.650 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.755 5.901 10.732 1.00 0.00 C ATOM 1205 NH1 ARG A 79 8.134 7.172 10.714 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.917 5.181 11.835 1.00 0.00 N ATOM 0 H ARG A 79 3.506 3.701 5.876 1.00 0.00 H new ATOM 0 HA ARG A 79 5.815 2.147 6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.218 3.704 7.527 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.907 4.379 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.610 6.109 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.059 5.191 8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.939 6.114 7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.713 7.098 8.616 1.00 0.00 H new ATOM 0 HE ARG A 79 6.936 4.370 9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.012 7.729 9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.548 7.593 11.546 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.628 4.203 11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.331 5.606 12.665 1.00 0.00 H new ATOM 1220 N PHE A 80 5.219 2.251 8.937 1.00 0.00 N ATOM 1221 CA PHE A 80 4.583 1.975 10.220 1.00 0.00 C ATOM 1222 C PHE A 80 5.073 2.944 11.291 1.00 0.00 C ATOM 1223 O PHE A 80 6.099 3.604 11.124 1.00 0.00 O ATOM 1224 CB PHE A 80 4.865 0.534 10.652 1.00 0.00 C ATOM 1225 CG PHE A 80 3.778 -0.430 10.270 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.450 -0.140 10.539 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.085 -1.627 9.642 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.448 -1.025 10.188 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.088 -2.515 9.288 1.00 0.00 C ATOM 1230 CZ PHE A 80 1.768 -2.215 9.563 1.00 0.00 C ATOM 0 H PHE A 80 6.187 1.937 8.870 1.00 0.00 H new ATOM 0 HA PHE A 80 3.508 2.108 10.100 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.804 0.206 10.205 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.000 0.507 11.733 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.195 0.788 11.029 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.116 -1.868 9.427 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.417 -0.787 10.402 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.340 -3.443 8.797 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.987 -2.909 9.290 1.00 0.00 H new ATOM 1240 N LYS A 81 4.332 3.026 12.391 1.00 0.00 N ATOM 1241 CA LYS A 81 4.690 3.914 13.491 1.00 0.00 C ATOM 1242 C LYS A 81 5.869 3.354 14.280 1.00 0.00 C ATOM 1243 O LYS A 81 6.336 3.971 15.237 1.00 0.00 O ATOM 1244 CB LYS A 81 3.491 4.117 14.420 1.00 0.00 C ATOM 1245 CG LYS A 81 3.858 4.725 15.762 1.00 0.00 C ATOM 1246 CD LYS A 81 4.216 3.656 16.780 1.00 0.00 C ATOM 1247 CE LYS A 81 2.993 3.195 17.558 1.00 0.00 C ATOM 1248 NZ LYS A 81 2.472 4.263 18.455 1.00 0.00 N ATOM 0 H LYS A 81 3.479 2.488 12.544 1.00 0.00 H new ATOM 0 HA LYS A 81 4.982 4.876 13.069 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.764 4.761 13.925 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.004 3.156 14.587 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.700 5.405 15.636 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.023 5.318 16.134 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.667 2.804 16.271 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.963 4.046 17.472 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.212 2.893 16.861 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.249 2.316 18.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.908 3.833 19.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.269 4.788 18.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.875 4.915 17.908 1.00 0.00 H new ATOM 1262 N SER A 82 6.346 2.182 13.872 1.00 0.00 N ATOM 1263 CA SER A 82 7.469 1.539 14.543 1.00 0.00 C ATOM 1264 C SER A 82 8.682 1.463 13.620 1.00 0.00 C ATOM 1265 O SER A 82 9.805 1.232 14.071 1.00 0.00 O ATOM 1266 CB SER A 82 7.078 0.134 15.005 1.00 0.00 C ATOM 1267 OG SER A 82 6.123 0.189 16.051 1.00 0.00 O ATOM 0 H SER A 82 5.972 1.659 13.080 1.00 0.00 H new ATOM 0 HA SER A 82 7.733 2.140 15.413 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.670 -0.428 14.165 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.965 -0.400 15.346 1.00 0.00 H new ATOM 0 HG SER A 82 5.888 -0.721 16.328 1.00 0.00 H new ATOM 1273 N TRP A 83 8.448 1.660 12.328 1.00 0.00 N ATOM 1274 CA TRP A 83 9.521 1.614 11.341 1.00 0.00 C ATOM 1275 C TRP A 83 10.650 2.565 11.721 1.00 0.00 C ATOM 1276 O TRP A 83 10.473 3.496 12.507 1.00 0.00 O ATOM 1277 CB TRP A 83 8.981 1.971 9.955 1.00 0.00 C ATOM 1278 CG TRP A 83 8.386 0.802 9.230 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.003 -0.390 9.774 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.109 0.714 7.828 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.503 -1.214 8.794 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.556 -0.560 7.592 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.270 1.588 6.750 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.168 -0.979 6.323 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.885 1.171 5.490 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.338 -0.103 5.285 1.00 0.00 C ATOM 0 H TRP A 83 7.525 1.853 11.939 1.00 0.00 H new ATOM 0 HA TRP A 83 9.918 0.599 11.318 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.225 2.749 10.057 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.789 2.389 9.355 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.081 -0.648 10.820 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.150 -2.160 8.939 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.688 2.573 6.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 6.748 -1.961 6.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.008 1.838 4.649 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.045 -0.399 4.289 1.00 0.00 H new ATOM 1297 N PRO A 84 11.842 2.328 11.152 1.00 0.00 N ATOM 1298 CA PRO A 84 13.024 3.153 11.416 1.00 0.00 C ATOM 1299 C PRO A 84 12.744 4.641 11.233 1.00 0.00 C ATOM 1300 O PRO A 84 11.705 5.025 10.699 1.00 0.00 O ATOM 1301 CB PRO A 84 14.036 2.667 10.376 1.00 0.00 C ATOM 1302 CG PRO A 84 13.634 1.262 10.084 1.00 0.00 C ATOM 1303 CD PRO A 84 12.126 1.235 10.206 1.00 0.00 C ATOM 0 HA PRO A 84 13.369 3.053 12.445 1.00 0.00 H new ATOM 0 HB2 PRO A 84 14.006 3.282 9.477 1.00 0.00 H new ATOM 0 HB3 PRO A 84 15.054 2.715 10.762 1.00 0.00 H new ATOM 0 HG2 PRO A 84 13.952 0.963 9.085 1.00 0.00 H new ATOM 0 HG3 PRO A 84 14.096 0.568 10.786 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.642 1.400 9.244 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.770 0.276 10.581 1.00 0.00 H new ATOM 1311 N GLU A 85 13.680 5.473 11.679 1.00 0.00 N ATOM 1312 CA GLU A 85 13.533 6.920 11.564 1.00 0.00 C ATOM 1313 C GLU A 85 13.585 7.357 10.103 1.00 0.00 C ATOM 1314 O GLU A 85 14.412 6.878 9.330 1.00 0.00 O ATOM 1315 CB GLU A 85 14.628 7.631 12.361 1.00 0.00 C ATOM 1316 CG GLU A 85 14.622 9.141 12.190 1.00 0.00 C ATOM 1317 CD GLU A 85 13.427 9.798 12.853 1.00 0.00 C ATOM 1318 OE1 GLU A 85 13.418 9.897 14.097 1.00 0.00 O ATOM 1319 OE2 GLU A 85 12.500 10.214 12.126 1.00 0.00 O ATOM 0 H GLU A 85 14.547 5.171 12.123 1.00 0.00 H new ATOM 0 HA GLU A 85 12.561 7.195 11.973 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.509 7.393 13.418 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.599 7.243 12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 85 15.539 9.554 12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.622 9.383 11.127 1.00 0.00 H new ATOM 1326 N GLY A 86 12.693 8.272 9.733 1.00 0.00 N ATOM 1327 CA GLY A 86 12.654 8.758 8.367 1.00 0.00 C ATOM 1328 C GLY A 86 12.819 7.646 7.350 1.00 0.00 C ATOM 1329 O GLY A 86 13.721 7.691 6.512 1.00 0.00 O ATOM 0 H GLY A 86 11.998 8.684 10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.706 9.267 8.193 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.443 9.496 8.225 1.00 0.00 H new ATOM 1333 N HIS A 87 11.949 6.645 7.424 1.00 0.00 N ATOM 1334 CA HIS A 87 12.003 5.515 6.503 1.00 0.00 C ATOM 1335 C HIS A 87 10.612 5.177 5.974 1.00 0.00 C ATOM 1336 O HIS A 87 9.781 4.624 6.693 1.00 0.00 O ATOM 1337 CB HIS A 87 12.608 4.294 7.196 1.00 0.00 C ATOM 1338 CG HIS A 87 13.100 3.247 6.244 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.427 3.110 5.897 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.434 2.283 5.567 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.556 2.108 5.045 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.361 1.589 4.829 1.00 0.00 N ATOM 0 H HIS A 87 11.198 6.593 8.112 1.00 0.00 H new ATOM 0 HA HIS A 87 12.634 5.795 5.660 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.436 4.618 7.827 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.860 3.852 7.854 1.00 0.00 H new ATOM 0 HD1 HIS A 87 15.190 3.691 6.244 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.371 2.095 5.601 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.481 1.771 4.601 1.00 0.00 H new ATOM 1351 N PHE A 88 10.366 5.515 4.712 1.00 0.00 N ATOM 1352 CA PHE A 88 9.076 5.250 4.088 1.00 0.00 C ATOM 1353 C PHE A 88 9.243 4.395 2.835 1.00 0.00 C ATOM 1354 O PHE A 88 10.359 4.176 2.365 1.00 0.00 O ATOM 1355 CB PHE A 88 8.377 6.564 3.732 1.00 0.00 C ATOM 1356 CG PHE A 88 7.957 7.363 4.932 1.00 0.00 C ATOM 1357 CD1 PHE A 88 8.903 7.886 5.799 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.616 7.592 5.194 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.520 8.623 6.904 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.226 8.328 6.297 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.180 8.843 7.154 1.00 0.00 C ATOM 0 H PHE A 88 11.043 5.973 4.102 1.00 0.00 H new ATOM 0 HA PHE A 88 8.462 4.702 4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.046 7.168 3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.498 6.346 3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.952 7.716 5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.866 7.191 4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.268 9.026 7.571 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.177 8.500 6.489 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.878 9.417 8.018 1.00 0.00 H new ATOM 1371 N ALA A 89 8.126 3.914 2.300 1.00 0.00 N ATOM 1372 CA ALA A 89 8.148 3.084 1.102 1.00 0.00 C ATOM 1373 C ALA A 89 7.290 3.691 -0.002 1.00 0.00 C ATOM 1374 O ALA A 89 6.152 4.101 0.235 1.00 0.00 O ATOM 1375 CB ALA A 89 7.674 1.675 1.427 1.00 0.00 C ATOM 0 H ALA A 89 7.194 4.085 2.677 1.00 0.00 H new ATOM 0 HA ALA A 89 9.176 3.036 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.696 1.066 0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.331 1.234 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.656 1.714 1.814 1.00 0.00 H new ATOM 1381 N THR A 90 7.841 3.748 -1.211 1.00 0.00 N ATOM 1382 CA THR A 90 7.126 4.307 -2.351 1.00 0.00 C ATOM 1383 C THR A 90 6.094 3.324 -2.889 1.00 0.00 C ATOM 1384 O THR A 90 6.442 2.249 -3.378 1.00 0.00 O ATOM 1385 CB THR A 90 8.094 4.691 -3.487 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.162 5.493 -2.971 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.365 5.451 -4.584 1.00 0.00 C ATOM 0 H THR A 90 8.780 3.414 -1.425 1.00 0.00 H new ATOM 0 HA THR A 90 6.618 5.204 -1.997 1.00 0.00 H new ATOM 0 HB THR A 90 8.503 3.774 -3.912 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.773 5.731 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.068 5.712 -5.375 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.572 4.826 -4.995 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.931 6.361 -4.170 1.00 0.00 H new ATOM 1395 N ILE A 91 4.822 3.698 -2.796 1.00 0.00 N ATOM 1396 CA ILE A 91 3.739 2.849 -3.276 1.00 0.00 C ATOM 1397 C ILE A 91 2.979 3.518 -4.416 1.00 0.00 C ATOM 1398 O ILE A 91 2.657 4.705 -4.351 1.00 0.00 O ATOM 1399 CB ILE A 91 2.750 2.507 -2.146 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.368 1.486 -1.189 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.447 1.976 -2.726 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.508 2.044 -0.365 1.00 0.00 C ATOM 0 H ILE A 91 4.516 4.584 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 91 4.197 1.929 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 91 2.532 3.416 -1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.594 1.113 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.729 0.633 -1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.758 1.739 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.001 2.733 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.648 1.076 -3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.898 1.266 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.301 2.391 -1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.148 2.878 0.237 1.00 0.00 H new ATOM 1414 N THR A 92 2.694 2.748 -5.462 1.00 0.00 N ATOM 1415 CA THR A 92 1.972 3.265 -6.617 1.00 0.00 C ATOM 1416 C THR A 92 0.759 2.399 -6.940 1.00 0.00 C ATOM 1417 O THR A 92 0.885 1.345 -7.565 1.00 0.00 O ATOM 1418 CB THR A 92 2.879 3.342 -7.859 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.992 4.205 -7.600 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.105 3.852 -9.065 1.00 0.00 C ATOM 0 H THR A 92 2.953 1.764 -5.532 1.00 0.00 H new ATOM 0 HA THR A 92 1.639 4.270 -6.357 1.00 0.00 H new ATOM 0 HB THR A 92 3.242 2.338 -8.079 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.565 4.247 -8.394 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.767 3.898 -9.930 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.276 3.177 -9.278 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.716 4.848 -8.853 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.415 2.850 -6.512 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.651 2.116 -6.757 1.00 0.00 C ATOM 1430 C LEU A 93 -2.206 2.430 -8.142 1.00 0.00 C ATOM 1431 O LEU A 93 -1.906 3.475 -8.721 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.691 2.459 -5.689 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.494 1.798 -4.324 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.478 2.363 -3.310 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.648 0.289 -4.435 1.00 0.00 C ATOM 0 H LEU A 93 -0.537 3.720 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.427 1.050 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.696 3.540 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.675 2.181 -6.066 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.483 2.016 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.323 1.881 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.320 3.437 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.497 2.177 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.505 -0.164 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.646 0.051 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.904 -0.103 -5.128 1.00 0.00 H new ATOM 1447 N THR A 94 -3.019 1.520 -8.669 1.00 0.00 N ATOM 1448 CA THR A 94 -3.617 1.700 -9.986 1.00 0.00 C ATOM 1449 C THR A 94 -5.016 1.097 -10.042 1.00 0.00 C ATOM 1450 O THR A 94 -5.256 0.011 -9.514 1.00 0.00 O ATOM 1451 CB THR A 94 -2.751 1.062 -11.088 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.366 1.143 -10.732 1.00 0.00 O ATOM 1453 CG2 THR A 94 -2.978 1.755 -12.424 1.00 0.00 C ATOM 0 H THR A 94 -3.279 0.650 -8.204 1.00 0.00 H new ATOM 0 HA THR A 94 -3.680 2.774 -10.160 1.00 0.00 H new ATOM 0 HB THR A 94 -3.040 0.015 -11.186 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.822 0.734 -11.437 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.356 1.287 -13.187 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.027 1.666 -12.707 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.714 2.809 -12.337 1.00 0.00 H new ATOM 1461 N PHE A 95 -5.936 1.807 -10.686 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.312 1.341 -10.810 1.00 0.00 C ATOM 1463 C PHE A 95 -7.631 0.966 -12.255 1.00 0.00 C ATOM 1464 O PHE A 95 -7.465 1.775 -13.168 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.284 2.419 -10.325 1.00 0.00 C ATOM 1466 CG PHE A 95 -7.986 2.915 -8.939 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.857 3.679 -8.691 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.834 2.617 -7.885 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.580 4.136 -7.416 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.562 3.071 -6.608 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.434 3.833 -6.374 1.00 0.00 C ATOM 0 H PHE A 95 -5.754 2.707 -11.130 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.426 0.453 -10.189 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.256 3.260 -11.017 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.298 2.020 -10.349 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.186 3.920 -9.502 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.718 2.023 -8.063 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.696 4.730 -7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.230 2.830 -5.795 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.220 4.191 -5.378 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.089 -0.265 -12.453 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.432 -0.747 -13.785 1.00 0.00 C ATOM 1483 C ILE A 96 -9.925 -1.033 -13.900 1.00 0.00 C ATOM 1484 O ILE A 96 -10.574 -1.402 -12.921 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.648 -2.025 -14.140 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.147 -1.797 -13.951 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.949 -2.450 -15.570 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.336 -3.074 -13.960 1.00 0.00 C ATOM 0 H ILE A 96 -8.231 -0.947 -11.708 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.161 0.043 -14.485 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.962 -2.825 -13.470 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.785 -1.141 -14.742 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.983 -1.278 -13.007 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.388 -3.354 -15.807 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.016 -2.647 -15.674 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.659 -1.653 -16.255 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.281 -2.836 -13.821 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.671 -3.724 -13.151 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.470 -3.584 -14.914 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.464 -0.860 -15.101 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.882 -1.102 -15.345 1.00 0.00 C ATOM 1502 C ASP A 97 -12.098 -2.472 -15.978 1.00 0.00 C ATOM 1503 O ASP A 97 -11.467 -2.813 -16.979 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.458 -0.011 -16.250 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.733 -0.450 -16.945 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -13.664 -1.370 -17.786 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -14.799 0.127 -16.646 1.00 0.00 O ATOM 0 H ASP A 97 -9.941 -0.553 -15.921 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.400 -1.079 -14.386 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.659 0.881 -15.656 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.716 0.265 -16.999 1.00 0.00 H new ATOM 1512 N LYS A 98 -12.993 -3.256 -15.388 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.294 -4.591 -15.893 1.00 0.00 C ATOM 1514 C LYS A 98 -14.783 -4.737 -16.189 1.00 0.00 C ATOM 1515 O LYS A 98 -15.281 -5.846 -16.382 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.858 -5.652 -14.880 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.445 -5.452 -14.361 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.426 -6.181 -15.221 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.213 -6.606 -14.409 1.00 0.00 C ATOM 1520 NZ LYS A 98 -8.148 -7.194 -15.269 1.00 0.00 N ATOM 0 H LYS A 98 -13.524 -2.990 -14.558 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.741 -4.735 -16.821 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.550 -5.644 -14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.930 -6.636 -15.343 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.211 -4.388 -14.342 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.379 -5.812 -13.334 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.890 -7.059 -15.671 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.109 -5.534 -16.039 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.814 -5.744 -13.875 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.516 -7.335 -13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.338 -7.471 -14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.521 -8.032 -15.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.840 -6.490 -15.970 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.489 -3.612 -16.225 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.921 -3.615 -16.499 1.00 0.00 C ATOM 1536 C ASN A 99 -17.699 -4.190 -15.319 1.00 0.00 C ATOM 1537 O ASN A 99 -18.532 -5.080 -15.485 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.218 -4.426 -17.762 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.431 -3.908 -18.510 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.339 -3.526 -19.677 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.577 -3.893 -17.839 1.00 0.00 N ATOM 0 H ASN A 99 -15.092 -2.686 -16.068 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.238 -2.584 -16.654 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.350 -4.399 -18.420 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.380 -5.469 -17.491 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.427 -3.555 -18.290 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.607 -4.219 -16.873 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.422 -3.672 -14.126 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.104 -4.145 -12.935 1.00 0.00 C ATOM 1550 C GLY A 100 -17.168 -4.297 -11.753 1.00 0.00 C ATOM 1551 O GLY A 100 -17.581 -4.144 -10.604 1.00 0.00 O ATOM 0 H GLY A 100 -16.738 -2.933 -13.963 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.901 -3.448 -12.676 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.575 -5.105 -13.147 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.905 -4.601 -12.035 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.909 -4.776 -10.984 1.00 0.00 C ATOM 1557 C GLU A 101 -13.673 -3.924 -11.258 1.00 0.00 C ATOM 1558 O GLU A 101 -13.405 -3.547 -12.399 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.512 -6.249 -10.868 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.675 -7.209 -11.047 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.243 -8.662 -11.012 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.120 -8.958 -11.471 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -16.027 -9.504 -10.526 1.00 0.00 O ATOM 0 H GLU A 101 -15.547 -4.731 -12.981 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.351 -4.451 -10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.750 -6.471 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.059 -6.419 -9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.410 -7.033 -10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.168 -7.003 -11.997 1.00 0.00 H new ATOM 1570 N THR A 102 -12.923 -3.623 -10.202 1.00 0.00 N ATOM 1571 CA THR A 102 -11.717 -2.815 -10.327 1.00 0.00 C ATOM 1572 C THR A 102 -10.502 -3.552 -9.777 1.00 0.00 C ATOM 1573 O THR A 102 -10.484 -3.958 -8.615 1.00 0.00 O ATOM 1574 CB THR A 102 -11.864 -1.469 -9.591 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.920 -0.702 -10.178 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.565 -0.679 -9.645 1.00 0.00 C ATOM 0 H THR A 102 -13.130 -3.927 -9.251 1.00 0.00 H new ATOM 0 HA THR A 102 -11.572 -2.625 -11.391 1.00 0.00 H new ATOM 0 HB THR A 102 -12.103 -1.675 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.744 -1.232 -10.186 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.692 0.267 -9.119 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.770 -1.254 -9.170 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.301 -0.484 -10.684 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.487 -3.721 -10.618 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.267 -4.411 -10.214 1.00 0.00 C ATOM 1586 C GLU A 103 -7.237 -3.422 -9.675 1.00 0.00 C ATOM 1587 O GLU A 103 -6.645 -2.650 -10.431 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.678 -5.185 -11.395 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.401 -5.936 -11.054 1.00 0.00 C ATOM 1590 CD GLU A 103 -6.669 -7.248 -10.344 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -6.732 -7.246 -9.097 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -6.814 -8.278 -11.036 1.00 0.00 O ATOM 0 H GLU A 103 -9.485 -3.390 -11.583 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.522 -5.113 -9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.420 -5.895 -11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.474 -4.490 -12.209 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.842 -6.130 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.772 -5.308 -10.424 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.028 -3.452 -8.363 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.070 -2.559 -7.721 1.00 0.00 C ATOM 1601 C LEU A 104 -4.670 -3.166 -7.728 1.00 0.00 C ATOM 1602 O LEU A 104 -4.372 -4.072 -6.950 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.502 -2.264 -6.284 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.639 -1.263 -5.515 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.866 0.148 -6.037 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -5.936 -1.336 -4.025 1.00 0.00 C ATOM 0 H LEU A 104 -7.509 -4.085 -7.724 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.045 -1.627 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.526 -1.891 -6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.515 -3.203 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.591 -1.522 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.244 0.847 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.602 0.192 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.915 0.417 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.313 -0.617 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.987 -1.103 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.722 -2.341 -3.660 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.816 -2.659 -8.611 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.447 -3.150 -8.719 1.00 0.00 C ATOM 1620 C CYS A 105 -1.500 -2.311 -7.867 1.00 0.00 C ATOM 1621 O CYS A 105 -1.008 -1.273 -8.308 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.990 -3.133 -10.178 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.525 -4.141 -10.505 1.00 0.00 S ATOM 0 H CYS A 105 -4.048 -1.909 -9.262 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.425 -4.176 -8.352 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.807 -3.484 -10.808 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.782 -2.104 -10.470 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.218 -4.064 -11.766 1.00 0.00 H new ATOM 1629 N MET A 106 -1.250 -2.768 -6.644 1.00 0.00 N ATOM 1630 CA MET A 106 -0.362 -2.059 -5.731 1.00 0.00 C ATOM 1631 C MET A 106 1.095 -2.430 -5.990 1.00 0.00 C ATOM 1632 O MET A 106 1.428 -3.606 -6.136 1.00 0.00 O ATOM 1633 CB MET A 106 -0.730 -2.375 -4.280 1.00 0.00 C ATOM 1634 CG MET A 106 0.062 -1.570 -3.262 1.00 0.00 C ATOM 1635 SD MET A 106 1.662 -2.310 -2.883 1.00 0.00 S ATOM 1636 CE MET A 106 1.633 -2.280 -1.093 1.00 0.00 C ATOM 0 H MET A 106 -1.650 -3.626 -6.263 1.00 0.00 H new ATOM 0 HA MET A 106 -0.482 -0.990 -5.905 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.793 -2.184 -4.134 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.568 -3.437 -4.096 1.00 0.00 H new ATOM 0 HG2 MET A 106 0.214 -0.560 -3.643 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.519 -1.481 -2.344 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.367 -2.986 -0.705 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.874 -1.277 -0.742 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.640 -2.559 -0.740 1.00 0.00 H new ATOM 1646 N GLU A 107 1.957 -1.420 -6.047 1.00 0.00 N ATOM 1647 CA GLU A 107 3.378 -1.643 -6.291 1.00 0.00 C ATOM 1648 C GLU A 107 4.230 -0.817 -5.331 1.00 0.00 C ATOM 1649 O GLU A 107 4.470 0.368 -5.559 1.00 0.00 O ATOM 1650 CB GLU A 107 3.731 -1.289 -7.737 1.00 0.00 C ATOM 1651 CG GLU A 107 5.055 -1.874 -8.200 1.00 0.00 C ATOM 1652 CD GLU A 107 5.720 -1.034 -9.273 1.00 0.00 C ATOM 1653 OE1 GLU A 107 6.078 0.127 -8.982 1.00 0.00 O ATOM 1654 OE2 GLU A 107 5.883 -1.538 -10.404 1.00 0.00 O ATOM 0 H GLU A 107 1.697 -0.441 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 107 3.589 -2.699 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.937 -1.644 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.767 -0.204 -7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.727 -1.964 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.889 -2.881 -8.583 1.00 0.00 H new ATOM 1661 N GLY A 108 4.684 -1.454 -4.256 1.00 0.00 N ATOM 1662 CA GLY A 108 5.504 -0.764 -3.277 1.00 0.00 C ATOM 1663 C GLY A 108 6.973 -1.120 -3.396 1.00 0.00 C ATOM 1664 O GLY A 108 7.320 -2.268 -3.671 1.00 0.00 O ATOM 0 H GLY A 108 4.499 -2.435 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.383 0.312 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.153 -1.011 -2.275 1.00 0.00 H new ATOM 1668 N ARG A 109 7.838 -0.132 -3.191 1.00 0.00 N ATOM 1669 CA ARG A 109 9.277 -0.346 -3.280 1.00 0.00 C ATOM 1670 C ARG A 109 10.010 0.423 -2.185 1.00 0.00 C ATOM 1671 O ARG A 109 10.002 1.654 -2.164 1.00 0.00 O ATOM 1672 CB ARG A 109 9.794 0.084 -4.654 1.00 0.00 C ATOM 1673 CG ARG A 109 9.564 1.556 -4.957 1.00 0.00 C ATOM 1674 CD ARG A 109 9.538 1.818 -6.455 1.00 0.00 C ATOM 1675 NE ARG A 109 9.929 3.188 -6.778 1.00 0.00 N ATOM 1676 CZ ARG A 109 10.315 3.576 -7.988 1.00 0.00 C ATOM 1677 NH1 ARG A 109 10.361 2.703 -8.985 1.00 0.00 N ATOM 1678 NH2 ARG A 109 10.655 4.840 -8.203 1.00 0.00 N ATOM 0 H ARG A 109 7.567 0.824 -2.962 1.00 0.00 H new ATOM 0 HA ARG A 109 9.470 -1.410 -3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.861 -0.128 -4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.306 -0.517 -5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.621 1.877 -4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.352 2.151 -4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 109 10.210 1.121 -6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.536 1.627 -6.839 1.00 0.00 H new ATOM 0 HE ARG A 109 9.904 3.885 -6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.099 1.730 -8.824 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.658 3.004 -9.913 1.00 0.00 H new ATOM 0 HH21 ARG A 109 10.620 5.515 -7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 109 10.951 5.137 -9.133 1.00 0.00 H new ATOM 1692 N GLY A 110 10.643 -0.311 -1.274 1.00 0.00 N ATOM 1693 CA GLY A 110 11.371 0.319 -0.188 1.00 0.00 C ATOM 1694 C GLY A 110 10.920 -0.172 1.173 1.00 0.00 C ATOM 1695 O GLY A 110 11.240 0.435 2.196 1.00 0.00 O ATOM 0 H GLY A 110 10.664 -1.331 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.437 0.123 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.238 1.399 -0.244 1.00 0.00 H new ATOM 1699 N ILE A 111 10.176 -1.272 1.187 1.00 0.00 N ATOM 1700 CA ILE A 111 9.681 -1.843 2.434 1.00 0.00 C ATOM 1701 C ILE A 111 10.785 -2.590 3.173 1.00 0.00 C ATOM 1702 O ILE A 111 11.363 -3.553 2.668 1.00 0.00 O ATOM 1703 CB ILE A 111 8.504 -2.805 2.184 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.231 -2.016 1.868 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.290 -3.704 3.392 1.00 0.00 C ATOM 1706 CD1 ILE A 111 7.087 -1.663 0.404 1.00 0.00 C ATOM 0 H ILE A 111 9.902 -1.786 0.350 1.00 0.00 H new ATOM 0 HA ILE A 111 9.336 -1.011 3.047 1.00 0.00 H new ATOM 0 HB ILE A 111 8.742 -3.433 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.365 -2.600 2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.226 -1.099 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.455 -4.378 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.192 -4.287 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.069 -3.092 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.163 -1.105 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.934 -1.053 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 111 7.060 -2.577 -0.190 1.00 0.00 H new ATOM 1718 N PRO A 112 11.086 -2.139 4.400 1.00 0.00 N ATOM 1719 CA PRO A 112 12.122 -2.752 5.236 1.00 0.00 C ATOM 1720 C PRO A 112 11.993 -4.270 5.300 1.00 0.00 C ATOM 1721 O PRO A 112 10.958 -4.797 5.707 1.00 0.00 O ATOM 1722 CB PRO A 112 11.875 -2.136 6.615 1.00 0.00 C ATOM 1723 CG PRO A 112 11.215 -0.830 6.334 1.00 0.00 C ATOM 1724 CD PRO A 112 10.439 -0.996 5.064 1.00 0.00 C ATOM 0 HA PRO A 112 13.123 -2.568 4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.240 -2.777 7.227 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.809 -1.998 7.160 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.556 -0.547 7.154 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.956 -0.037 6.232 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.386 -1.193 5.263 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.484 -0.098 4.448 1.00 0.00 H new ATOM 1732 N ALA A 113 13.050 -4.967 4.896 1.00 0.00 N ATOM 1733 CA ALA A 113 13.055 -6.424 4.910 1.00 0.00 C ATOM 1734 C ALA A 113 12.610 -6.962 6.266 1.00 0.00 C ATOM 1735 O ALA A 113 11.800 -7.884 6.360 1.00 0.00 O ATOM 1736 CB ALA A 113 14.439 -6.951 4.559 1.00 0.00 C ATOM 0 H ALA A 113 13.914 -4.546 4.555 1.00 0.00 H new ATOM 0 HA ALA A 113 12.345 -6.772 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.428 -8.041 4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.719 -6.604 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.163 -6.586 5.288 1.00 0.00 H new ATOM 1742 N PRO A 114 13.152 -6.374 7.343 1.00 0.00 N ATOM 1743 CA PRO A 114 12.826 -6.779 8.714 1.00 0.00 C ATOM 1744 C PRO A 114 11.328 -6.719 8.995 1.00 0.00 C ATOM 1745 O PRO A 114 10.846 -7.302 9.965 1.00 0.00 O ATOM 1746 CB PRO A 114 13.572 -5.755 9.573 1.00 0.00 C ATOM 1747 CG PRO A 114 14.690 -5.280 8.711 1.00 0.00 C ATOM 1748 CD PRO A 114 14.125 -5.269 7.306 1.00 0.00 C ATOM 0 HA PRO A 114 13.112 -7.812 8.913 1.00 0.00 H new ATOM 0 HB2 PRO A 114 12.919 -4.932 9.864 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.945 -6.206 10.492 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.024 -4.286 9.010 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.553 -5.942 8.784 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.649 -4.318 7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.899 -5.435 6.556 1.00 0.00 H new ATOM 1756 N GLU A 115 10.598 -6.011 8.139 1.00 0.00 N ATOM 1757 CA GLU A 115 9.154 -5.876 8.297 1.00 0.00 C ATOM 1758 C GLU A 115 8.424 -6.337 7.039 1.00 0.00 C ATOM 1759 O GLU A 115 7.194 -6.349 6.992 1.00 0.00 O ATOM 1760 CB GLU A 115 8.787 -4.424 8.610 1.00 0.00 C ATOM 1761 CG GLU A 115 9.538 -3.849 9.799 1.00 0.00 C ATOM 1762 CD GLU A 115 8.955 -4.291 11.127 1.00 0.00 C ATOM 1763 OE1 GLU A 115 8.970 -5.508 11.406 1.00 0.00 O ATOM 1764 OE2 GLU A 115 8.484 -3.419 11.887 1.00 0.00 O ATOM 0 H GLU A 115 10.982 -5.523 7.330 1.00 0.00 H new ATOM 0 HA GLU A 115 8.844 -6.509 9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.988 -3.810 7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.716 -4.362 8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.583 -4.154 9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.520 -2.761 9.743 1.00 0.00 H new ATOM 1771 N GLU A 116 9.191 -6.714 6.021 1.00 0.00 N ATOM 1772 CA GLU A 116 8.617 -7.174 4.762 1.00 0.00 C ATOM 1773 C GLU A 116 7.373 -8.023 5.009 1.00 0.00 C ATOM 1774 O GLU A 116 6.369 -7.888 4.311 1.00 0.00 O ATOM 1775 CB GLU A 116 9.648 -7.981 3.970 1.00 0.00 C ATOM 1776 CG GLU A 116 9.100 -8.572 2.682 1.00 0.00 C ATOM 1777 CD GLU A 116 10.169 -9.260 1.854 1.00 0.00 C ATOM 1778 OE1 GLU A 116 11.102 -9.836 2.451 1.00 0.00 O ATOM 1779 OE2 GLU A 116 10.071 -9.221 0.610 1.00 0.00 O ATOM 0 H GLU A 116 10.211 -6.710 6.043 1.00 0.00 H new ATOM 0 HA GLU A 116 8.329 -6.297 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.496 -7.338 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.026 -8.788 4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.314 -9.288 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.641 -7.780 2.090 1.00 0.00 H new ATOM 1786 N GLU A 117 7.449 -8.897 6.008 1.00 0.00 N ATOM 1787 CA GLU A 117 6.330 -9.769 6.346 1.00 0.00 C ATOM 1788 C GLU A 117 5.220 -8.984 7.040 1.00 0.00 C ATOM 1789 O GLU A 117 4.153 -8.760 6.468 1.00 0.00 O ATOM 1790 CB GLU A 117 6.800 -10.913 7.246 1.00 0.00 C ATOM 1791 CG GLU A 117 5.968 -12.177 7.109 1.00 0.00 C ATOM 1792 CD GLU A 117 6.179 -12.873 5.779 1.00 0.00 C ATOM 1793 OE1 GLU A 117 5.459 -12.542 4.814 1.00 0.00 O ATOM 1794 OE2 GLU A 117 7.066 -13.750 5.703 1.00 0.00 O ATOM 0 H GLU A 117 8.273 -9.020 6.597 1.00 0.00 H new ATOM 0 HA GLU A 117 5.933 -10.185 5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.839 -11.145 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.774 -10.582 8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 117 6.220 -12.863 7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 117 4.913 -11.927 7.221 1.00 0.00 H new ATOM 1801 N ARG A 118 5.480 -8.571 8.276 1.00 0.00 N ATOM 1802 CA ARG A 118 4.503 -7.814 9.049 1.00 0.00 C ATOM 1803 C ARG A 118 3.723 -6.857 8.152 1.00 0.00 C ATOM 1804 O ARG A 118 2.495 -6.792 8.214 1.00 0.00 O ATOM 1805 CB ARG A 118 5.200 -7.031 10.164 1.00 0.00 C ATOM 1806 CG ARG A 118 4.249 -6.205 11.014 1.00 0.00 C ATOM 1807 CD ARG A 118 4.922 -4.947 11.541 1.00 0.00 C ATOM 1808 NE ARG A 118 4.309 -4.477 12.781 1.00 0.00 N ATOM 1809 CZ ARG A 118 4.581 -4.992 13.976 1.00 0.00 C ATOM 1810 NH1 ARG A 118 5.449 -5.987 14.091 1.00 0.00 N ATOM 1811 NH2 ARG A 118 3.983 -4.510 15.058 1.00 0.00 N ATOM 0 H ARG A 118 6.358 -8.748 8.763 1.00 0.00 H new ATOM 0 HA ARG A 118 3.802 -8.521 9.493 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.735 -7.730 10.807 1.00 0.00 H new ATOM 0 HB3 ARG A 118 5.945 -6.370 9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.375 -5.931 10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.892 -6.806 11.851 1.00 0.00 H new ATOM 0 HD2 ARG A 118 5.980 -5.146 11.712 1.00 0.00 H new ATOM 0 HD3 ARG A 118 4.864 -4.162 10.787 1.00 0.00 H new ATOM 0 HE ARG A 118 3.636 -3.712 12.727 1.00 0.00 H new ATOM 0 HH11 ARG A 118 5.910 -6.360 13.261 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.656 -6.380 15.009 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.315 -3.744 14.973 1.00 0.00 H new ATOM 0 HH22 ARG A 118 4.192 -4.905 15.975 1.00 0.00 H new ATOM 1825 N THR A 119 4.445 -6.115 7.318 1.00 0.00 N ATOM 1826 CA THR A 119 3.821 -5.161 6.409 1.00 0.00 C ATOM 1827 C THR A 119 2.677 -5.806 5.636 1.00 0.00 C ATOM 1828 O THR A 119 1.508 -5.499 5.868 1.00 0.00 O ATOM 1829 CB THR A 119 4.843 -4.587 5.410 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.977 -4.066 6.113 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.215 -3.489 4.565 1.00 0.00 C ATOM 0 H THR A 119 5.462 -6.156 7.253 1.00 0.00 H new ATOM 0 HA THR A 119 3.429 -4.350 7.022 1.00 0.00 H new ATOM 0 HB THR A 119 5.165 -5.393 4.750 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.584 -4.800 6.345 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.956 -3.099 3.867 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.371 -3.896 4.008 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.868 -2.684 5.213 1.00 0.00 H new ATOM 1839 N ARG A 120 3.022 -6.700 4.715 1.00 0.00 N ATOM 1840 CA ARG A 120 2.023 -7.388 3.906 1.00 0.00 C ATOM 1841 C ARG A 120 0.984 -8.071 4.791 1.00 0.00 C ATOM 1842 O ARG A 120 -0.205 -8.081 4.473 1.00 0.00 O ATOM 1843 CB ARG A 120 2.693 -8.420 2.998 1.00 0.00 C ATOM 1844 CG ARG A 120 1.963 -8.641 1.684 1.00 0.00 C ATOM 1845 CD ARG A 120 2.800 -9.457 0.711 1.00 0.00 C ATOM 1846 NE ARG A 120 2.046 -9.825 -0.485 1.00 0.00 N ATOM 1847 CZ ARG A 120 1.159 -10.813 -0.519 1.00 0.00 C ATOM 1848 NH1 ARG A 120 0.915 -11.527 0.570 1.00 0.00 N ATOM 1849 NH2 ARG A 120 0.513 -11.087 -1.646 1.00 0.00 N ATOM 0 H ARG A 120 3.986 -6.965 4.511 1.00 0.00 H new ATOM 0 HA ARG A 120 1.518 -6.645 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.713 -8.098 2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.762 -9.369 3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.020 -9.154 1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.718 -7.678 1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.681 -8.884 0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.156 -10.360 1.207 1.00 0.00 H new ATOM 0 HE ARG A 120 2.210 -9.294 -1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.409 -11.319 1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 120 0.233 -12.285 0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.698 -10.539 -2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.168 -11.846 -1.672 1.00 0.00 H new ATOM 1863 N GLN A 121 1.442 -8.641 5.900 1.00 0.00 N ATOM 1864 CA GLN A 121 0.552 -9.328 6.830 1.00 0.00 C ATOM 1865 C GLN A 121 -0.463 -8.359 7.428 1.00 0.00 C ATOM 1866 O GLN A 121 -1.544 -8.762 7.855 1.00 0.00 O ATOM 1867 CB GLN A 121 1.360 -9.993 7.946 1.00 0.00 C ATOM 1868 CG GLN A 121 2.340 -11.041 7.445 1.00 0.00 C ATOM 1869 CD GLN A 121 2.483 -12.210 8.400 1.00 0.00 C ATOM 1870 OE1 GLN A 121 2.196 -13.354 8.046 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.928 -11.928 9.619 1.00 0.00 N ATOM 0 H GLN A 121 2.424 -8.641 6.177 1.00 0.00 H new ATOM 0 HA GLN A 121 0.011 -10.096 6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.909 -9.226 8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.673 -10.458 8.653 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.008 -11.409 6.474 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.315 -10.578 7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 121 3.154 -10.965 9.869 1.00 0.00 H new ATOM 0 HE22 GLN A 121 3.044 -12.674 10.305 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.106 -7.078 7.456 1.00 0.00 N ATOM 1881 CA GLY A 122 -0.996 -6.072 8.005 1.00 0.00 C ATOM 1882 C GLY A 122 -1.317 -4.977 7.008 1.00 0.00 C ATOM 1883 O GLY A 122 -1.827 -3.920 7.380 1.00 0.00 O ATOM 0 H GLY A 122 0.783 -6.720 7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.922 -6.548 8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.538 -5.631 8.890 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.018 -5.228 5.738 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.277 -4.254 4.685 1.00 0.00 C ATOM 1889 C TRP A 123 -2.685 -4.421 4.123 1.00 0.00 C ATOM 1890 O TRP A 123 -3.538 -3.551 4.295 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.247 -4.398 3.564 1.00 0.00 C ATOM 1892 CG TRP A 123 0.177 -3.087 2.975 1.00 0.00 C ATOM 1893 CD1 TRP A 123 1.185 -2.277 3.416 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.395 -2.433 1.837 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.272 -1.160 2.622 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.315 -1.232 1.645 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.437 -2.747 0.960 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 0.014 -0.346 0.614 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.735 -1.866 -0.063 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.011 -0.678 -0.230 1.00 0.00 C ATOM 0 H TRP A 123 -0.596 -6.098 5.413 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.195 -3.257 5.118 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.631 -4.915 3.951 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.664 -5.025 2.776 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.820 -2.485 4.264 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.941 -0.400 2.741 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -1.999 -3.661 1.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.570 0.571 0.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.540 -2.097 -0.745 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.267 -0.011 -1.040 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.920 -5.543 3.451 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.225 -5.823 2.863 1.00 0.00 C ATOM 1913 C GLN A 124 -5.269 -6.063 3.948 1.00 0.00 C ATOM 1914 O GLN A 124 -6.426 -5.664 3.809 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.142 -7.039 1.939 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.006 -6.961 0.931 1.00 0.00 C ATOM 1917 CD GLN A 124 -1.685 -7.434 1.504 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -0.674 -6.736 1.421 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.685 -8.625 2.089 1.00 0.00 N ATOM 0 H GLN A 124 -2.224 -6.273 3.300 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.527 -4.954 2.279 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.019 -7.937 2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.086 -7.143 1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.257 -7.565 0.059 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.901 -5.932 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.546 -9.170 2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -0.824 -8.995 2.492 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.855 -6.719 5.027 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.755 -7.014 6.135 1.00 0.00 C ATOM 1930 C ARG A 125 -6.653 -5.818 6.439 1.00 0.00 C ATOM 1931 O ARG A 125 -7.750 -5.974 6.976 1.00 0.00 O ATOM 1932 CB ARG A 125 -4.956 -7.396 7.382 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.675 -8.885 7.493 1.00 0.00 C ATOM 1934 CD ARG A 125 -5.772 -9.603 8.265 1.00 0.00 C ATOM 1935 NE ARG A 125 -5.496 -9.645 9.698 1.00 0.00 N ATOM 1936 CZ ARG A 125 -6.439 -9.764 10.625 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -7.714 -9.854 10.271 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -6.109 -9.795 11.910 1.00 0.00 N ATOM 0 H ARG A 125 -3.901 -7.056 5.157 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.385 -7.855 5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.009 -6.856 7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.503 -7.071 8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -4.589 -9.316 6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.718 -9.040 7.990 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.724 -9.100 8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -5.876 -10.620 7.886 1.00 0.00 H new ATOM 0 HE ARG A 125 -4.525 -9.579 10.004 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -7.972 -9.832 9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -8.436 -9.945 10.985 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.130 -9.727 12.187 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.835 -9.886 12.621 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.180 -4.627 6.093 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.938 -3.404 6.332 1.00 0.00 C ATOM 1954 C TYR A 126 -7.241 -2.686 5.020 1.00 0.00 C ATOM 1955 O TYR A 126 -8.329 -2.141 4.835 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.165 -2.474 7.268 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.308 -3.206 8.277 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.781 -4.340 8.927 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.026 -2.764 8.580 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.002 -5.011 9.849 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.240 -3.430 9.500 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.732 -4.552 10.132 1.00 0.00 C ATOM 1963 OH TYR A 126 -2.953 -5.219 11.050 1.00 0.00 O ATOM 0 H TYR A 126 -5.275 -4.481 5.646 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.882 -3.678 6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.530 -1.818 6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.872 -1.837 7.799 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.774 -4.702 8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.638 -1.885 8.088 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.385 -5.890 10.346 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.245 -3.074 9.723 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.087 -4.768 11.133 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.271 -2.692 4.113 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.431 -2.040 2.819 1.00 0.00 C ATOM 1975 C TYR A 127 -7.596 -2.648 2.043 1.00 0.00 C ATOM 1976 O TYR A 127 -8.610 -1.992 1.806 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.143 -2.157 2.002 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.294 -0.906 2.028 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -4.000 -0.267 3.226 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.785 -0.364 0.854 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.226 0.876 3.254 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -3.008 0.778 0.873 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.731 1.395 2.076 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.958 2.533 2.100 1.00 0.00 O ATOM 0 H TYR A 127 -5.366 -3.141 4.250 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.646 -0.986 2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.556 -2.993 2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.398 -2.391 0.969 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.383 -0.671 4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.001 -0.844 -0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.009 1.361 4.194 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.619 1.186 -0.048 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.227 2.419 2.743 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.442 -3.909 1.650 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.480 -4.608 0.901 1.00 0.00 C ATOM 1996 C PHE A 128 -9.398 -5.386 1.839 1.00 0.00 C ATOM 1997 O PHE A 128 -10.593 -5.108 1.926 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.849 -5.559 -0.118 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.623 -5.000 -0.781 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.401 -3.633 -0.818 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.691 -5.842 -1.367 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.273 -3.115 -1.426 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.562 -5.330 -1.977 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.353 -3.965 -2.008 1.00 0.00 C ATOM 0 H PHE A 128 -6.609 -4.467 1.838 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.076 -3.864 0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.589 -6.492 0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.587 -5.801 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.118 -2.964 -0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.849 -6.910 -1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.111 -2.047 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.843 -5.997 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.472 -3.563 -2.486 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.829 -6.362 2.540 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.596 -7.181 3.470 1.00 0.00 C ATOM 2016 C GLU A 129 -10.550 -6.320 4.294 1.00 0.00 C ATOM 2017 O GLU A 129 -11.589 -6.791 4.753 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.657 -7.953 4.400 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.669 -8.843 3.664 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.352 -9.921 2.846 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -9.216 -10.630 3.402 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -8.022 -10.055 1.649 1.00 0.00 O ATOM 0 H GLU A 129 -7.840 -6.604 2.481 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.184 -7.891 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.105 -7.243 5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.252 -8.567 5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.053 -8.229 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -6.999 -9.310 4.386 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.186 -5.054 4.478 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.019 -4.148 5.246 1.00 0.00 C ATOM 2031 C GLY A 130 -12.169 -3.587 4.433 1.00 0.00 C ATOM 2032 O GLY A 130 -13.325 -3.658 4.850 1.00 0.00 O ATOM 0 H GLY A 130 -9.330 -4.641 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.415 -4.672 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.408 -3.327 5.620 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.851 -3.025 3.271 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.867 -2.449 2.399 1.00 0.00 C ATOM 2038 C ILE A 131 -13.797 -3.527 1.851 1.00 0.00 C ATOM 2039 O ILE A 131 -15.016 -3.448 2.004 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.231 -1.688 1.221 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.287 -0.601 1.738 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.311 -1.083 0.337 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.323 -0.090 0.690 1.00 0.00 C ATOM 0 H ILE A 131 -10.899 -2.957 2.912 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.443 -1.749 3.005 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.651 -2.392 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.878 0.234 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.719 -0.995 2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.846 -0.548 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.947 -1.877 -0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.915 -0.390 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.685 0.678 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.706 -0.914 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.883 0.334 -0.143 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.213 -4.535 1.213 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.987 -5.632 0.644 1.00 0.00 C ATOM 2057 C LYS A 132 -15.209 -5.938 1.503 1.00 0.00 C ATOM 2058 O LYS A 132 -16.314 -6.105 0.988 1.00 0.00 O ATOM 2059 CB LYS A 132 -13.116 -6.884 0.513 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.345 -6.954 -0.794 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.486 -8.205 -0.868 1.00 0.00 C ATOM 2062 CE LYS A 132 -11.279 -8.655 -2.306 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.634 -9.996 -2.380 1.00 0.00 N ATOM 0 H LYS A 132 -12.205 -4.615 1.077 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.327 -5.328 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.411 -6.914 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.749 -7.767 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -13.043 -6.941 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.713 -6.071 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.519 -8.012 -0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.958 -9.006 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -12.240 -8.685 -2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -10.661 -7.925 -2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.418 -10.223 -3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -9.754 -9.989 -1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -11.280 -10.714 -1.994 1.00 0.00 H new ATOM 2077 N GLN A 133 -15.003 -6.008 2.814 1.00 0.00 N ATOM 2078 CA GLN A 133 -16.090 -6.293 3.744 1.00 0.00 C ATOM 2079 C GLN A 133 -16.789 -5.008 4.174 1.00 0.00 C ATOM 2080 O GLN A 133 -18.013 -4.898 4.098 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.558 -7.034 4.972 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.867 -8.346 4.638 1.00 0.00 C ATOM 2083 CD GLN A 133 -14.989 -9.369 5.750 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.670 -9.088 6.906 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.452 -10.565 5.407 1.00 0.00 N ATOM 0 H GLN A 133 -14.094 -5.871 3.256 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.815 -6.926 3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.857 -6.388 5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.385 -7.232 5.654 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -15.296 -8.756 3.724 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.812 -8.156 4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -15.705 -10.755 4.437 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.555 -11.294 6.113 1.00 0.00 H new ATOM 2094 N THR A 134 -16.003 -4.036 4.628 1.00 0.00 N ATOM 2095 CA THR A 134 -16.547 -2.758 5.072 1.00 0.00 C ATOM 2096 C THR A 134 -17.501 -2.177 4.036 1.00 0.00 C ATOM 2097 O THR A 134 -18.689 -1.992 4.306 1.00 0.00 O ATOM 2098 CB THR A 134 -15.427 -1.738 5.352 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.570 -2.224 6.391 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.010 -0.392 5.756 1.00 0.00 C ATOM 0 H THR A 134 -14.988 -4.110 4.698 1.00 0.00 H new ATOM 0 HA THR A 134 -17.092 -2.950 5.996 1.00 0.00 H new ATOM 0 HB THR A 134 -14.849 -1.606 4.437 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.063 -2.996 6.063 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.201 0.312 5.949 1.00 0.00 H new ATOM 0 HG22 THR A 134 -16.638 -0.011 4.951 1.00 0.00 H new ATOM 0 HG23 THR A 134 -16.610 -0.511 6.658 1.00 0.00 H new ATOM 2108 N PHE A 135 -16.976 -1.890 2.850 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.783 -1.328 1.772 1.00 0.00 C ATOM 2110 C PHE A 135 -18.551 -2.424 1.040 1.00 0.00 C ATOM 2111 O PHE A 135 -19.592 -2.171 0.437 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.895 -0.566 0.786 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.332 0.708 1.349 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.538 0.688 2.485 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.594 1.925 0.741 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.020 1.859 3.004 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.078 3.099 1.256 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.289 3.066 2.389 1.00 0.00 C ATOM 0 H PHE A 135 -15.996 -2.037 2.610 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.502 -0.637 2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.073 -1.211 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.474 -0.334 -0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.322 -0.253 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.209 1.957 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.404 1.830 3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.291 4.041 0.773 1.00 0.00 H new ATOM 0 HZ PHE A 135 -14.883 3.982 2.793 1.00 0.00 H new ATOM 2128 N GLY A 136 -18.027 -3.645 1.097 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.674 -4.762 0.434 1.00 0.00 C ATOM 2130 C GLY A 136 -18.168 -4.971 -0.979 1.00 0.00 C ATOM 2131 O GLY A 136 -18.933 -5.335 -1.873 1.00 0.00 O ATOM 0 H GLY A 136 -17.166 -3.880 1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.508 -5.670 1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.750 -4.592 0.409 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.876 -4.739 -1.183 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.269 -4.900 -2.499 1.00 0.00 C ATOM 2137 C TYR A 137 -15.505 -6.217 -2.589 1.00 0.00 C ATOM 2138 O TYR A 137 -14.531 -6.334 -3.332 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.330 -3.731 -2.797 1.00 0.00 C ATOM 2140 CG TYR A 137 -16.001 -2.378 -2.714 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.370 -2.248 -2.908 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.265 -1.231 -2.443 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.988 -1.014 -2.834 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.875 0.006 -2.366 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.236 0.110 -2.562 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.847 1.341 -2.488 1.00 0.00 O ATOM 0 H TYR A 137 -16.229 -4.439 -0.454 1.00 0.00 H new ATOM 0 HA TYR A 137 -17.068 -4.913 -3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.497 -3.757 -2.095 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.910 -3.858 -3.795 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.962 -3.126 -3.120 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.199 -1.308 -2.290 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -19.054 -0.930 -2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.289 0.888 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 137 -18.405 1.382 -1.683 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.954 -7.208 -1.825 1.00 0.00 N ATOM 2157 CA GLY A 138 -15.302 -8.505 -1.833 1.00 0.00 C ATOM 2158 C GLY A 138 -16.087 -9.544 -2.608 1.00 0.00 C ATOM 2159 O GLY A 138 -17.315 -9.488 -2.666 1.00 0.00 O ATOM 0 H GLY A 138 -16.757 -7.136 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -14.308 -8.406 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -15.167 -8.847 -0.807 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.377 -10.495 -3.207 1.00 0.00 N ATOM 2164 CA ALA A 139 -16.016 -11.551 -3.982 1.00 0.00 C ATOM 2165 C ALA A 139 -16.047 -12.862 -3.202 1.00 0.00 C ATOM 2166 O ALA A 139 -15.901 -13.940 -3.777 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.295 -11.741 -5.309 1.00 0.00 C ATOM 0 H ALA A 139 -14.359 -10.555 -3.170 1.00 0.00 H new ATOM 0 HA ALA A 139 -17.045 -11.252 -4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.783 -12.533 -5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.329 -10.812 -5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.256 -12.015 -5.123 1.00 0.00 H new ATOM 2173 N SER A 140 -16.238 -12.760 -1.891 1.00 0.00 N ATOM 2174 CA SER A 140 -16.284 -13.938 -1.032 1.00 0.00 C ATOM 2175 C SER A 140 -14.954 -14.685 -1.063 1.00 0.00 C ATOM 2176 O SER A 140 -14.920 -15.914 -1.091 1.00 0.00 O ATOM 2177 CB SER A 140 -17.416 -14.870 -1.468 1.00 0.00 C ATOM 2178 OG SER A 140 -18.681 -14.263 -1.271 1.00 0.00 O ATOM 0 H SER A 140 -16.363 -11.875 -1.400 1.00 0.00 H new ATOM 0 HA SER A 140 -16.470 -13.605 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 140 -17.293 -15.129 -2.520 1.00 0.00 H new ATOM 0 HB3 SER A 140 -17.364 -15.800 -0.902 1.00 0.00 H new ATOM 0 HG SER A 140 -19.387 -14.878 -1.559 1.00 0.00 H new ATOM 2184 N GLY A 141 -13.858 -13.931 -1.058 1.00 0.00 N ATOM 2185 CA GLY A 141 -12.540 -14.538 -1.086 1.00 0.00 C ATOM 2186 C GLY A 141 -12.275 -15.288 -2.376 1.00 0.00 C ATOM 2187 O GLY A 141 -12.913 -15.049 -3.401 1.00 0.00 O ATOM 0 H GLY A 141 -13.860 -12.911 -1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -11.784 -13.764 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -12.441 -15.223 -0.244 1.00 0.00 H new ATOM 2191 N PRO A 142 -11.309 -16.218 -2.336 1.00 0.00 N ATOM 2192 CA PRO A 142 -10.937 -17.023 -3.504 1.00 0.00 C ATOM 2193 C PRO A 142 -12.154 -17.559 -4.250 1.00 0.00 C ATOM 2194 O PRO A 142 -13.223 -17.740 -3.666 1.00 0.00 O ATOM 2195 CB PRO A 142 -10.132 -18.176 -2.898 1.00 0.00 C ATOM 2196 CG PRO A 142 -9.546 -17.613 -1.649 1.00 0.00 C ATOM 2197 CD PRO A 142 -10.507 -16.556 -1.149 1.00 0.00 C ATOM 0 HA PRO A 142 -10.385 -16.440 -4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -10.769 -19.034 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -9.354 -18.518 -3.581 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -9.408 -18.394 -0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -8.564 -17.181 -1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -11.131 -16.934 -0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.978 -15.685 -0.763 1.00 0.00 H new ATOM 2205 N SER A 143 -11.985 -17.811 -5.544 1.00 0.00 N ATOM 2206 CA SER A 143 -13.071 -18.323 -6.371 1.00 0.00 C ATOM 2207 C SER A 143 -13.148 -19.844 -6.287 1.00 0.00 C ATOM 2208 O SER A 143 -12.172 -20.507 -5.936 1.00 0.00 O ATOM 2209 CB SER A 143 -12.880 -17.890 -7.826 1.00 0.00 C ATOM 2210 OG SER A 143 -11.615 -18.297 -8.317 1.00 0.00 O ATOM 0 H SER A 143 -11.106 -17.669 -6.042 1.00 0.00 H new ATOM 0 HA SER A 143 -14.007 -17.908 -5.996 1.00 0.00 H new ATOM 0 HB2 SER A 143 -13.669 -18.320 -8.443 1.00 0.00 H new ATOM 0 HB3 SER A 143 -12.971 -16.806 -7.901 1.00 0.00 H new ATOM 0 HG SER A 143 -11.518 -18.010 -9.249 1.00 0.00 H new ATOM 2216 N SER A 144 -14.315 -20.391 -6.613 1.00 0.00 N ATOM 2217 CA SER A 144 -14.521 -21.834 -6.571 1.00 0.00 C ATOM 2218 C SER A 144 -15.801 -22.221 -7.306 1.00 0.00 C ATOM 2219 O SER A 144 -16.894 -21.788 -6.944 1.00 0.00 O ATOM 2220 CB SER A 144 -14.586 -22.319 -5.122 1.00 0.00 C ATOM 2221 OG SER A 144 -15.579 -21.619 -4.393 1.00 0.00 O ATOM 0 H SER A 144 -15.132 -19.857 -6.909 1.00 0.00 H new ATOM 0 HA SER A 144 -13.677 -22.311 -7.069 1.00 0.00 H new ATOM 0 HB2 SER A 144 -14.802 -23.387 -5.102 1.00 0.00 H new ATOM 0 HB3 SER A 144 -13.616 -22.181 -4.645 1.00 0.00 H new ATOM 0 HG SER A 144 -16.323 -21.393 -4.989 1.00 0.00 H new ATOM 2227 N GLY A 145 -15.655 -23.041 -8.343 1.00 0.00 N ATOM 2228 CA GLY A 145 -16.806 -23.473 -9.114 1.00 0.00 C ATOM 2229 C GLY A 145 -16.433 -24.443 -10.218 1.00 0.00 C ATOM 2230 O GLY A 145 -16.546 -25.657 -10.050 1.00 0.00 O ATOM 0 H GLY A 145 -14.761 -23.413 -8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -17.529 -23.945 -8.449 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -17.295 -22.602 -9.550 1.00 0.00 H new TER 2234 GLY A 145