USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 919 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 51 THR OG1 : rot 127:sc= -1.72 USER MOD Set 1.2: A 97 MET CE :methyl 166:sc= -2.6 (180deg=-1.16) USER MOD Set 2.1: A 93 ASN :FLIP amide:sc= -0.365 F(o=-2.6!,f=-0.21) USER MOD Set 2.2: A 95 THR OG1 : rot 93:sc= 0.158 USER MOD Set 3.1: A 47 LYS NZ :NH3+ -106:sc= 0.225 (180deg=0) USER MOD Set 3.2: A 49 GLN :FLIP amide:sc= -1.34 F(o=-4.3!,f=-1.1) USER MOD Set 4.1: A 19 ASN : amide:sc= -0.0961 K(o=0.17,f=-2.8) USER MOD Set 4.2: A 28 THR OG1 : rot 175:sc= 0.268 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.0132 F(o=-1.3,f=-0.013) USER MOD Single : A 4 SER OG : rot 35:sc= 0.225 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.1 USER MOD Single : A 32 THR OG1 : rot 81:sc= 0.0254 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.45 F(o=-3.8,f=-1.5) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -38:sc= 0.255 USER MOD Single : A 55 SER OG : rot -18:sc= 0.49! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -131:sc= -0.0394 (180deg=-1.53!) USER MOD Single : A 59 MET CE :methyl -176:sc= 0 (180deg=-0.0191) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0826) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= -0.0249 (180deg=-0.0249) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 78 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HE2:sc= 0.0431 X(o=0.043,f=-0.27) USER MOD Single : A 88 MET CE :methyl -162:sc= -0.0796 (180deg=-0.538) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -2.37 X(o=-2.4,f=-2.8!) USER MOD Single : A 99 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.9!) USER MOD Single : A 101 LYS NZ :NH3+ -145:sc= 0.613 (180deg=-0.13) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 78:sc= -0.745 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 106 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 90:sc= -1.36 USER MOD Single : A 112 LYS NZ :NH3+ 150:sc= -0.179 (180deg=-0.792) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.170 10.995 7.376 1.00 0.00 N ATOM 2 CA PRO A 1 -13.047 10.042 7.466 1.00 0.00 C ATOM 3 C PRO A 1 -13.022 9.080 6.281 1.00 0.00 C ATOM 4 O PRO A 1 -14.018 8.419 5.984 1.00 0.00 O ATOM 5 CB PRO A 1 -13.229 9.280 8.774 1.00 0.00 C ATOM 6 CG PRO A 1 -14.642 9.567 9.185 1.00 0.00 C ATOM 7 CD PRO A 1 -15.026 10.896 8.567 1.00 0.00 C ATOM 0 H2 PRO A 1 -14.720 10.804 6.538 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.811 11.945 7.286 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.096 10.575 7.443 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.065 8.211 8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -12.520 9.616 9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.310 8.776 8.844 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -14.726 9.609 10.271 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -16.083 10.922 8.302 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -14.849 11.722 9.255 1.00 0.00 H new ATOM 17 N SER A 2 -11.878 9.006 5.609 1.00 0.00 N ATOM 18 CA SER A 2 -11.723 8.126 4.456 1.00 0.00 C ATOM 19 C SER A 2 -10.250 7.848 4.176 1.00 0.00 C ATOM 20 O SER A 2 -9.858 6.706 3.935 1.00 0.00 O ATOM 21 CB SER A 2 -12.380 8.747 3.221 1.00 0.00 C ATOM 22 OG SER A 2 -11.958 8.095 2.036 1.00 0.00 O ATOM 0 H SER A 2 -11.044 9.545 5.843 1.00 0.00 H new ATOM 0 HA SER A 2 -12.215 7.181 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.464 8.680 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.129 9.806 3.166 1.00 0.00 H new ATOM 0 HG SER A 2 -12.393 8.509 1.262 1.00 0.00 H new ATOM 28 N HIS A 3 -9.438 8.899 4.211 1.00 0.00 N ATOM 29 CA HIS A 3 -8.007 8.770 3.960 1.00 0.00 C ATOM 30 C HIS A 3 -7.359 7.813 4.956 1.00 0.00 C ATOM 31 O HIS A 3 -6.324 7.212 4.672 1.00 0.00 O ATOM 32 CB HIS A 3 -7.326 10.137 4.033 1.00 0.00 C ATOM 33 CG HIS A 3 -7.499 10.957 2.793 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.817 10.949 1.623 1.00 0.00 N flip ATOM 35 CD2 HIS A 3 -8.471 11.927 2.660 1.00 0.00 C flip ATOM 36 CE1 HIS A 3 -7.383 11.903 0.815 1.00 0.00 C flip ATOM 37 NE2 HIS A 3 -8.379 12.479 1.463 1.00 0.00 N flip ATOM 0 H HIS A 3 -9.747 9.850 4.411 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.879 8.362 2.957 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.727 10.689 4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.262 9.994 4.219 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.194 12.194 3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.065 12.144 -0.189 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.976 13.223 1.101 1.00 0.00 H new ATOM 46 N SER A 4 -7.977 7.680 6.122 1.00 0.00 N ATOM 47 CA SER A 4 -7.462 6.797 7.163 1.00 0.00 C ATOM 48 C SER A 4 -8.450 5.676 7.465 1.00 0.00 C ATOM 49 O SER A 4 -9.625 5.922 7.735 1.00 0.00 O ATOM 50 CB SER A 4 -7.170 7.593 8.436 1.00 0.00 C ATOM 51 OG SER A 4 -8.331 8.261 8.899 1.00 0.00 O ATOM 0 H SER A 4 -8.835 8.171 6.372 1.00 0.00 H new ATOM 0 HA SER A 4 -6.536 6.351 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.800 6.922 9.211 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.382 8.320 8.241 1.00 0.00 H new ATOM 0 HG SER A 4 -9.120 7.709 8.719 1.00 0.00 H new ATOM 57 N GLY A 5 -7.959 4.444 7.419 1.00 0.00 N ATOM 58 CA GLY A 5 -8.799 3.294 7.691 1.00 0.00 C ATOM 59 C GLY A 5 -7.994 2.108 8.176 1.00 0.00 C ATOM 60 O GLY A 5 -6.842 1.931 7.779 1.00 0.00 O ATOM 0 H GLY A 5 -6.989 4.220 7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.544 3.558 8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.341 3.019 6.787 1.00 0.00 H new ATOM 64 N ALA A 6 -8.590 1.296 9.041 1.00 0.00 N ATOM 65 CA ALA A 6 -7.901 0.131 9.576 1.00 0.00 C ATOM 66 C ALA A 6 -7.547 -0.858 8.475 1.00 0.00 C ATOM 67 O ALA A 6 -8.344 -1.112 7.572 1.00 0.00 O ATOM 68 CB ALA A 6 -8.737 -0.551 10.641 1.00 0.00 C ATOM 0 H ALA A 6 -9.542 1.422 9.384 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.974 0.481 10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.200 -1.418 11.025 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.928 0.147 11.456 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.685 -0.873 10.209 1.00 0.00 H new ATOM 74 N ALA A 7 -6.346 -1.410 8.561 1.00 0.00 N ATOM 75 CA ALA A 7 -5.878 -2.376 7.577 1.00 0.00 C ATOM 76 C ALA A 7 -4.803 -3.295 8.152 1.00 0.00 C ATOM 77 O ALA A 7 -4.020 -2.890 9.009 1.00 0.00 O ATOM 78 CB ALA A 7 -5.346 -1.652 6.350 1.00 0.00 C ATOM 0 H ALA A 7 -5.677 -1.206 9.303 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.726 -2.998 7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.998 -2.382 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.140 -1.049 5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.518 -1.005 6.640 1.00 0.00 H new ATOM 84 N ILE A 8 -4.769 -4.539 7.670 1.00 0.00 N ATOM 85 CA ILE A 8 -3.788 -5.512 8.133 1.00 0.00 C ATOM 86 C ILE A 8 -2.588 -5.577 7.201 1.00 0.00 C ATOM 87 O ILE A 8 -2.724 -5.489 5.982 1.00 0.00 O ATOM 88 CB ILE A 8 -4.387 -6.924 8.212 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.692 -6.913 8.993 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.406 -7.907 8.840 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.497 -8.162 8.764 1.00 0.00 C ATOM 0 H ILE A 8 -5.410 -4.892 6.960 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.479 -5.180 9.124 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.592 -7.252 7.193 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.477 -6.810 10.057 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.281 -6.044 8.702 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.860 -8.897 8.882 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.498 -7.949 8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.158 -7.579 9.849 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.420 -8.111 9.341 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.736 -8.252 7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.919 -9.030 9.080 1.00 0.00 H new ATOM 103 N PHE A 9 -1.419 -5.761 7.791 1.00 0.00 N ATOM 104 CA PHE A 9 -0.189 -5.875 7.028 1.00 0.00 C ATOM 105 C PHE A 9 0.749 -6.871 7.700 1.00 0.00 C ATOM 106 O PHE A 9 1.334 -6.582 8.743 1.00 0.00 O ATOM 107 CB PHE A 9 0.488 -4.513 6.887 1.00 0.00 C ATOM 108 CG PHE A 9 1.759 -4.558 6.093 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.765 -5.048 4.797 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.949 -4.111 6.641 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.934 -5.093 4.063 1.00 0.00 C ATOM 112 CE2 PHE A 9 4.123 -4.151 5.913 1.00 0.00 C ATOM 113 CZ PHE A 9 4.116 -4.643 4.621 1.00 0.00 C ATOM 0 H PHE A 9 -1.296 -5.835 8.801 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.431 -6.237 6.029 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.205 -3.819 6.411 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.703 -4.118 7.880 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.844 -5.399 4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.960 -3.726 7.650 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.925 -5.479 3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.044 -3.799 6.353 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.032 -4.676 4.049 1.00 0.00 H new ATOM 123 N GLU A 10 0.873 -8.050 7.097 1.00 0.00 N ATOM 124 CA GLU A 10 1.723 -9.111 7.624 1.00 0.00 C ATOM 125 C GLU A 10 1.048 -9.832 8.793 1.00 0.00 C ATOM 126 O GLU A 10 1.657 -10.031 9.845 1.00 0.00 O ATOM 127 CB GLU A 10 3.080 -8.556 8.057 1.00 0.00 C ATOM 128 CG GLU A 10 3.752 -7.696 6.999 1.00 0.00 C ATOM 129 CD GLU A 10 5.140 -7.241 7.409 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.490 -7.398 8.598 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.877 -6.728 6.542 1.00 0.00 O ATOM 0 H GLU A 10 0.389 -8.295 6.233 1.00 0.00 H new ATOM 0 HA GLU A 10 1.882 -9.834 6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.949 -7.965 8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.739 -9.387 8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.819 -8.259 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.132 -6.822 6.799 1.00 0.00 H new ATOM 138 N LYS A 11 -0.205 -10.241 8.591 1.00 0.00 N ATOM 139 CA LYS A 11 -0.957 -10.962 9.602 1.00 0.00 C ATOM 140 C LYS A 11 -1.181 -10.141 10.870 1.00 0.00 C ATOM 141 O LYS A 11 -1.616 -10.676 11.891 1.00 0.00 O ATOM 142 CB LYS A 11 -0.237 -12.261 9.923 1.00 0.00 C ATOM 143 CG LYS A 11 -0.567 -13.377 8.952 1.00 0.00 C ATOM 144 CD LYS A 11 -1.819 -14.131 9.372 1.00 0.00 C ATOM 145 CE LYS A 11 -2.037 -15.368 8.516 1.00 0.00 C ATOM 146 NZ LYS A 11 -2.603 -16.497 9.305 1.00 0.00 N ATOM 0 H LYS A 11 -0.719 -10.080 7.725 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.947 -11.172 9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.839 -12.085 9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.500 -12.576 10.933 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.709 -12.962 7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.273 -14.069 8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.736 -14.422 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.685 -13.474 9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.710 -15.126 7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.090 -15.674 8.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.737 -17.321 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.949 -16.745 10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.519 -16.214 9.707 1.00 0.00 H new ATOM 160 N VAL A 12 -0.916 -8.839 10.803 1.00 0.00 N ATOM 161 CA VAL A 12 -1.128 -7.967 11.937 1.00 0.00 C ATOM 162 C VAL A 12 -2.052 -6.833 11.526 1.00 0.00 C ATOM 163 O VAL A 12 -1.941 -6.310 10.421 1.00 0.00 O ATOM 164 CB VAL A 12 0.197 -7.404 12.486 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.058 -6.445 13.641 1.00 0.00 C ATOM 166 CG2 VAL A 12 1.115 -8.536 12.922 1.00 0.00 C ATOM 0 H VAL A 12 -0.554 -8.372 9.972 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.584 -8.550 12.737 1.00 0.00 H new ATOM 0 HB VAL A 12 0.688 -6.848 11.688 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.892 -6.061 14.012 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.675 -5.615 13.296 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.574 -6.971 14.444 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.046 -8.121 13.307 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.627 -9.120 13.703 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.330 -9.179 12.069 1.00 0.00 H new ATOM 176 N SER A 13 -2.985 -6.476 12.397 1.00 0.00 N ATOM 177 CA SER A 13 -3.937 -5.421 12.083 1.00 0.00 C ATOM 178 C SER A 13 -3.568 -4.107 12.751 1.00 0.00 C ATOM 179 O SER A 13 -3.056 -4.079 13.870 1.00 0.00 O ATOM 180 CB SER A 13 -5.350 -5.840 12.498 1.00 0.00 C ATOM 181 OG SER A 13 -6.308 -4.882 12.081 1.00 0.00 O ATOM 0 H SER A 13 -3.103 -6.897 13.319 1.00 0.00 H new ATOM 0 HA SER A 13 -3.907 -5.265 11.005 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.588 -6.810 12.062 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.395 -5.957 13.581 1.00 0.00 H new ATOM 0 HG SER A 13 -7.203 -5.173 12.356 1.00 0.00 H new ATOM 187 N GLY A 14 -3.842 -3.022 12.044 1.00 0.00 N ATOM 188 CA GLY A 14 -3.550 -1.699 12.549 1.00 0.00 C ATOM 189 C GLY A 14 -4.268 -0.632 11.749 1.00 0.00 C ATOM 190 O GLY A 14 -4.991 -0.944 10.803 1.00 0.00 O ATOM 0 H GLY A 14 -4.267 -3.037 11.117 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.848 -1.633 13.596 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.475 -1.523 12.512 1.00 0.00 H new ATOM 194 N ILE A 15 -4.076 0.625 12.120 1.00 0.00 N ATOM 195 CA ILE A 15 -4.720 1.722 11.416 1.00 0.00 C ATOM 196 C ILE A 15 -3.835 2.254 10.296 1.00 0.00 C ATOM 197 O ILE A 15 -2.673 2.597 10.510 1.00 0.00 O ATOM 198 CB ILE A 15 -5.098 2.859 12.384 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.139 2.342 13.391 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.615 4.074 11.617 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.461 3.086 13.371 1.00 0.00 C ATOM 0 H ILE A 15 -3.483 0.909 12.900 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.635 1.331 10.972 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.212 3.180 12.932 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.328 1.287 13.190 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.717 2.404 14.394 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.876 4.864 12.321 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.841 4.433 10.939 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.498 3.793 11.043 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.133 2.654 14.112 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.291 4.137 13.605 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.911 3.003 12.382 1.00 0.00 H new ATOM 213 N ILE A 16 -4.403 2.306 9.099 1.00 0.00 N ATOM 214 CA ILE A 16 -3.693 2.780 7.925 1.00 0.00 C ATOM 215 C ILE A 16 -4.100 4.213 7.594 1.00 0.00 C ATOM 216 O ILE A 16 -5.270 4.491 7.329 1.00 0.00 O ATOM 217 CB ILE A 16 -3.976 1.847 6.716 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.787 0.913 6.480 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.293 2.648 5.453 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.879 0.106 5.200 1.00 0.00 C ATOM 0 H ILE A 16 -5.365 2.021 8.917 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.624 2.767 8.138 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.854 1.246 6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.872 1.505 6.459 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.704 0.228 7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.486 1.964 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.174 3.266 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.445 3.287 5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.999 -0.530 5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.774 -0.515 5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.930 0.782 4.347 1.00 0.00 H new ATOM 232 N ALA A 17 -3.129 5.118 7.608 1.00 0.00 N ATOM 233 CA ALA A 17 -3.390 6.518 7.305 1.00 0.00 C ATOM 234 C ALA A 17 -2.684 6.936 6.023 1.00 0.00 C ATOM 235 O ALA A 17 -1.565 6.505 5.750 1.00 0.00 O ATOM 236 CB ALA A 17 -2.952 7.402 8.462 1.00 0.00 C ATOM 0 H ALA A 17 -2.155 4.907 7.826 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.463 6.640 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.154 8.445 8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.503 7.125 9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.884 7.270 8.637 1.00 0.00 H new ATOM 242 N ILE A 18 -3.346 7.779 5.239 1.00 0.00 N ATOM 243 CA ILE A 18 -2.783 8.254 3.988 1.00 0.00 C ATOM 244 C ILE A 18 -2.339 9.709 4.121 1.00 0.00 C ATOM 245 O ILE A 18 -3.166 10.618 4.204 1.00 0.00 O ATOM 246 CB ILE A 18 -3.808 8.103 2.836 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.557 6.801 2.076 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.763 9.292 1.887 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.652 6.458 1.088 1.00 0.00 C ATOM 0 H ILE A 18 -4.274 8.146 5.451 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.910 7.646 3.752 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.805 8.072 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.609 6.877 1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.456 5.985 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.495 9.151 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.995 10.205 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.767 9.373 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.408 5.522 0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.599 6.349 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.739 7.255 0.350 1.00 0.00 H new ATOM 261 N ASN A 19 -1.028 9.922 4.141 1.00 0.00 N ATOM 262 CA ASN A 19 -0.477 11.264 4.263 1.00 0.00 C ATOM 263 C ASN A 19 0.060 11.746 2.922 1.00 0.00 C ATOM 264 O ASN A 19 1.077 11.250 2.435 1.00 0.00 O ATOM 265 CB ASN A 19 0.636 11.289 5.312 1.00 0.00 C ATOM 266 CG ASN A 19 0.152 10.841 6.678 1.00 0.00 C ATOM 267 OD1 ASN A 19 0.770 9.991 7.320 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.957 11.413 7.130 1.00 0.00 N ATOM 0 H ASN A 19 -0.329 9.183 4.074 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.276 11.934 4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.452 10.642 4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.040 12.299 5.386 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.329 11.153 8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.437 12.113 6.564 1.00 0.00 H new ATOM 275 N GLU A 20 -0.628 12.715 2.329 1.00 0.00 N ATOM 276 CA GLU A 20 -0.217 13.261 1.042 1.00 0.00 C ATOM 277 C GLU A 20 0.715 14.455 1.225 1.00 0.00 C ATOM 278 O GLU A 20 1.387 14.876 0.282 1.00 0.00 O ATOM 279 CB GLU A 20 -1.440 13.672 0.223 1.00 0.00 C ATOM 280 CG GLU A 20 -2.364 12.512 -0.115 1.00 0.00 C ATOM 281 CD GLU A 20 -3.541 12.932 -0.974 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.781 14.151 -1.098 1.00 0.00 O ATOM 283 OE2 GLU A 20 -4.224 12.042 -1.521 1.00 0.00 O ATOM 0 H GLU A 20 -1.471 13.138 2.718 1.00 0.00 H new ATOM 0 HA GLU A 20 0.325 12.483 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.002 14.424 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.106 14.141 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.796 11.741 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.734 12.067 0.809 1.00 0.00 H new ATOM 290 N ASP A 21 0.762 14.996 2.441 1.00 0.00 N ATOM 291 CA ASP A 21 1.623 16.136 2.735 1.00 0.00 C ATOM 292 C ASP A 21 3.060 15.845 2.315 1.00 0.00 C ATOM 293 O ASP A 21 3.837 16.760 2.042 1.00 0.00 O ATOM 294 CB ASP A 21 1.570 16.474 4.226 1.00 0.00 C ATOM 295 CG ASP A 21 0.215 17.004 4.653 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.586 17.369 3.766 1.00 0.00 O ATOM 297 OD2 ASP A 21 -0.045 17.055 5.873 1.00 0.00 O ATOM 0 H ASP A 21 0.215 14.663 3.235 1.00 0.00 H new ATOM 0 HA ASP A 21 1.261 16.993 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.807 15.582 4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.335 17.216 4.455 1.00 0.00 H new ATOM 302 N VAL A 22 3.401 14.563 2.261 1.00 0.00 N ATOM 303 CA VAL A 22 4.733 14.139 1.870 1.00 0.00 C ATOM 304 C VAL A 22 4.864 14.095 0.354 1.00 0.00 C ATOM 305 O VAL A 22 3.875 13.924 -0.359 1.00 0.00 O ATOM 306 CB VAL A 22 5.079 12.756 2.436 1.00 0.00 C ATOM 307 CG1 VAL A 22 6.585 12.593 2.565 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.391 12.521 3.773 1.00 0.00 C ATOM 0 H VAL A 22 2.766 13.797 2.485 1.00 0.00 H new ATOM 0 HA VAL A 22 5.428 14.871 2.280 1.00 0.00 H new ATOM 0 HB VAL A 22 4.711 12.004 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.811 11.606 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.048 12.699 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.978 13.357 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.655 11.533 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.714 13.279 4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.311 12.583 3.642 1.00 0.00 H new ATOM 318 N SER A 23 6.086 14.251 -0.136 1.00 0.00 N ATOM 319 CA SER A 23 6.338 14.225 -1.569 1.00 0.00 C ATOM 320 C SER A 23 7.611 13.443 -1.886 1.00 0.00 C ATOM 321 O SER A 23 8.717 13.911 -1.617 1.00 0.00 O ATOM 322 CB SER A 23 6.452 15.650 -2.114 1.00 0.00 C ATOM 323 OG SER A 23 6.878 16.550 -1.106 1.00 0.00 O ATOM 0 H SER A 23 6.917 14.397 0.437 1.00 0.00 H new ATOM 0 HA SER A 23 5.498 13.725 -2.050 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.157 15.669 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.487 15.970 -2.508 1.00 0.00 H new ATOM 0 HG SER A 23 6.944 17.453 -1.481 1.00 0.00 H new ATOM 329 N PRO A 24 7.477 12.232 -2.461 1.00 0.00 N ATOM 330 CA PRO A 24 6.179 11.633 -2.800 1.00 0.00 C ATOM 331 C PRO A 24 5.377 11.246 -1.561 1.00 0.00 C ATOM 332 O PRO A 24 5.944 10.913 -0.520 1.00 0.00 O ATOM 333 CB PRO A 24 6.548 10.379 -3.609 1.00 0.00 C ATOM 334 CG PRO A 24 7.999 10.524 -3.933 1.00 0.00 C ATOM 335 CD PRO A 24 8.589 11.350 -2.831 1.00 0.00 C ATOM 0 HA PRO A 24 5.547 12.333 -3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.364 9.472 -3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.949 10.307 -4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.484 9.550 -3.993 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.136 11.008 -4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.914 10.734 -1.992 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.459 11.914 -3.168 1.00 0.00 H new ATOM 343 N ALA A 25 4.052 11.289 -1.683 1.00 0.00 N ATOM 344 CA ALA A 25 3.166 10.938 -0.575 1.00 0.00 C ATOM 345 C ALA A 25 3.489 9.550 -0.031 1.00 0.00 C ATOM 346 O ALA A 25 4.297 8.820 -0.606 1.00 0.00 O ATOM 347 CB ALA A 25 1.711 11.006 -1.020 1.00 0.00 C ATOM 0 H ALA A 25 3.568 11.563 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 25 3.325 11.660 0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.062 10.742 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.479 12.017 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.548 10.307 -1.840 1.00 0.00 H new ATOM 353 N GLU A 26 2.857 9.190 1.083 1.00 0.00 N ATOM 354 CA GLU A 26 3.086 7.888 1.702 1.00 0.00 C ATOM 355 C GLU A 26 1.897 7.465 2.564 1.00 0.00 C ATOM 356 O GLU A 26 1.135 8.303 3.044 1.00 0.00 O ATOM 357 CB GLU A 26 4.356 7.924 2.554 1.00 0.00 C ATOM 358 CG GLU A 26 5.615 8.226 1.758 1.00 0.00 C ATOM 359 CD GLU A 26 6.874 8.145 2.600 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.755 8.078 3.842 1.00 0.00 O ATOM 361 OE2 GLU A 26 7.978 8.146 2.018 1.00 0.00 O ATOM 0 H GLU A 26 2.185 9.779 1.574 1.00 0.00 H new ATOM 0 HA GLU A 26 3.206 7.156 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.239 8.677 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.475 6.963 3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.692 7.524 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.536 9.223 1.325 1.00 0.00 H new ATOM 368 N LEU A 27 1.755 6.157 2.761 1.00 0.00 N ATOM 369 CA LEU A 27 0.670 5.612 3.571 1.00 0.00 C ATOM 370 C LEU A 27 1.222 4.966 4.840 1.00 0.00 C ATOM 371 O LEU A 27 1.988 4.004 4.774 1.00 0.00 O ATOM 372 CB LEU A 27 -0.131 4.588 2.762 1.00 0.00 C ATOM 373 CG LEU A 27 -1.362 4.021 3.468 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.382 3.534 2.452 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.962 2.892 4.406 1.00 0.00 C ATOM 0 H LEU A 27 2.380 5.453 2.369 1.00 0.00 H new ATOM 0 HA LEU A 27 0.008 6.429 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.449 5.054 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.529 3.762 2.497 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.818 4.815 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.252 3.134 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.690 4.366 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.937 2.753 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.850 2.499 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.483 2.097 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.266 3.270 5.155 1.00 0.00 H new ATOM 387 N THR A 28 0.848 5.515 5.991 1.00 0.00 N ATOM 388 CA THR A 28 1.310 5.027 7.266 1.00 0.00 C ATOM 389 C THR A 28 0.425 3.904 7.802 1.00 0.00 C ATOM 390 O THR A 28 -0.785 3.888 7.581 1.00 0.00 O ATOM 391 CB THR A 28 1.317 6.195 8.241 1.00 0.00 C ATOM 392 OG1 THR A 28 1.174 7.426 7.552 1.00 0.00 O ATOM 393 CG2 THR A 28 2.577 6.277 9.052 1.00 0.00 C ATOM 0 H THR A 28 0.215 6.312 6.056 1.00 0.00 H new ATOM 0 HA THR A 28 2.311 4.613 7.146 1.00 0.00 H new ATOM 0 HB THR A 28 0.477 6.017 8.912 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.093 8.156 8.200 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.520 7.130 9.728 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.696 5.362 9.632 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.431 6.398 8.386 1.00 0.00 H new ATOM 401 N TRP A 29 1.046 2.975 8.522 1.00 0.00 N ATOM 402 CA TRP A 29 0.339 1.852 9.113 1.00 0.00 C ATOM 403 C TRP A 29 0.742 1.673 10.569 1.00 0.00 C ATOM 404 O TRP A 29 1.864 1.266 10.865 1.00 0.00 O ATOM 405 CB TRP A 29 0.633 0.560 8.354 1.00 0.00 C ATOM 406 CG TRP A 29 -0.087 -0.619 8.931 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.422 -0.705 9.175 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.483 -1.864 9.357 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.730 -1.935 9.706 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.577 -2.662 9.827 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.779 -2.387 9.379 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.381 -3.947 10.313 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.970 -3.671 9.864 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.892 -4.438 10.324 1.00 0.00 C ATOM 0 H TRP A 29 2.049 2.982 8.710 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.728 2.067 9.053 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.345 0.682 7.310 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.706 0.370 8.369 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.137 0.080 8.980 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.663 -2.253 9.967 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.615 -1.802 9.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.210 -4.540 10.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.966 -4.087 9.888 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.072 -5.437 10.694 1.00 0.00 H new ATOM 425 N ARG A 30 -0.180 1.958 11.473 1.00 0.00 N ATOM 426 CA ARG A 30 0.090 1.805 12.896 1.00 0.00 C ATOM 427 C ARG A 30 -0.609 0.557 13.425 1.00 0.00 C ATOM 428 O ARG A 30 -1.810 0.389 13.229 1.00 0.00 O ATOM 429 CB ARG A 30 -0.378 3.038 13.670 1.00 0.00 C ATOM 430 CG ARG A 30 0.518 4.251 13.483 1.00 0.00 C ATOM 431 CD ARG A 30 0.006 5.449 14.265 1.00 0.00 C ATOM 432 NE ARG A 30 -1.353 5.817 13.876 1.00 0.00 N ATOM 433 CZ ARG A 30 -2.001 6.875 14.357 1.00 0.00 C ATOM 434 NH1 ARG A 30 -1.419 7.671 15.246 1.00 0.00 N ATOM 435 NH2 ARG A 30 -3.235 7.138 13.949 1.00 0.00 N ATOM 0 H ARG A 30 -1.117 2.295 11.251 1.00 0.00 H new ATOM 0 HA ARG A 30 1.166 1.700 13.036 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.390 3.292 13.354 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.427 2.793 14.731 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.530 4.010 13.807 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.574 4.503 12.424 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.029 5.223 15.331 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.671 6.298 14.105 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.834 5.228 13.196 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.470 7.473 15.564 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.921 8.481 15.611 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.687 6.529 13.267 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.732 7.949 14.317 1.00 0.00 H new ATOM 449 N SER A 31 0.140 -0.319 14.087 1.00 0.00 N ATOM 450 CA SER A 31 -0.432 -1.543 14.620 1.00 0.00 C ATOM 451 C SER A 31 -1.513 -1.232 15.644 1.00 0.00 C ATOM 452 O SER A 31 -1.561 -0.135 16.200 1.00 0.00 O ATOM 453 CB SER A 31 0.658 -2.413 15.250 1.00 0.00 C ATOM 454 OG SER A 31 1.222 -1.782 16.388 1.00 0.00 O ATOM 0 H SER A 31 1.138 -0.202 14.265 1.00 0.00 H new ATOM 0 HA SER A 31 -0.886 -2.093 13.796 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.238 -3.377 15.536 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.439 -2.611 14.516 1.00 0.00 H new ATOM 0 HG SER A 31 1.914 -2.359 16.773 1.00 0.00 H new ATOM 460 N THR A 32 -2.372 -2.208 15.893 1.00 0.00 N ATOM 461 CA THR A 32 -3.445 -2.060 16.849 1.00 0.00 C ATOM 462 C THR A 32 -2.879 -1.758 18.228 1.00 0.00 C ATOM 463 O THR A 32 -3.486 -1.051 19.031 1.00 0.00 O ATOM 464 CB THR A 32 -4.251 -3.353 16.866 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.313 -3.304 15.930 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.837 -3.690 18.210 1.00 0.00 C ATOM 0 H THR A 32 -2.341 -3.120 15.437 1.00 0.00 H new ATOM 0 HA THR A 32 -4.092 -1.229 16.566 1.00 0.00 H new ATOM 0 HB THR A 32 -3.532 -4.130 16.605 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.968 -3.500 15.034 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.396 -4.623 18.140 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.035 -3.801 18.939 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.506 -2.890 18.526 1.00 0.00 H new ATOM 474 N ASP A 33 -1.707 -2.313 18.483 1.00 0.00 N ATOM 475 CA ASP A 33 -1.029 -2.128 19.757 1.00 0.00 C ATOM 476 C ASP A 33 -0.476 -0.715 19.883 1.00 0.00 C ATOM 477 O ASP A 33 -0.410 -0.154 20.976 1.00 0.00 O ATOM 478 CB ASP A 33 0.101 -3.148 19.914 1.00 0.00 C ATOM 479 CG ASP A 33 -0.411 -4.573 19.981 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.621 -4.758 20.234 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.396 -5.504 19.780 1.00 0.00 O ATOM 0 H ASP A 33 -1.201 -2.900 17.820 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.760 -2.283 20.551 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.792 -3.052 19.076 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.665 -2.925 20.820 1.00 0.00 H new ATOM 486 N GLY A 34 -0.074 -0.154 18.754 1.00 0.00 N ATOM 487 CA GLY A 34 0.478 1.187 18.744 1.00 0.00 C ATOM 488 C GLY A 34 1.950 1.196 19.092 1.00 0.00 C ATOM 489 O GLY A 34 2.479 2.200 19.570 1.00 0.00 O ATOM 0 H GLY A 34 -0.120 -0.604 17.840 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.336 1.630 17.758 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.066 1.809 19.455 1.00 0.00 H new ATOM 493 N ASP A 35 2.611 0.070 18.853 1.00 0.00 N ATOM 494 CA ASP A 35 4.031 -0.059 19.143 1.00 0.00 C ATOM 495 C ASP A 35 4.849 -0.167 17.858 1.00 0.00 C ATOM 496 O ASP A 35 6.055 0.080 17.858 1.00 0.00 O ATOM 497 CB ASP A 35 4.285 -1.283 20.026 1.00 0.00 C ATOM 498 CG ASP A 35 3.667 -1.141 21.403 1.00 0.00 C ATOM 499 OD1 ASP A 35 3.323 -0.002 21.785 1.00 0.00 O ATOM 500 OD2 ASP A 35 3.527 -2.167 22.101 1.00 0.00 O ATOM 0 H ASP A 35 2.184 -0.768 18.458 1.00 0.00 H new ATOM 0 HA ASP A 35 4.346 0.838 19.675 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.880 -2.170 19.539 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.359 -1.438 20.127 1.00 0.00 H new ATOM 505 N LYS A 36 4.187 -0.533 16.766 1.00 0.00 N ATOM 506 CA LYS A 36 4.855 -0.669 15.478 1.00 0.00 C ATOM 507 C LYS A 36 4.166 0.185 14.420 1.00 0.00 C ATOM 508 O LYS A 36 2.956 0.081 14.215 1.00 0.00 O ATOM 509 CB LYS A 36 4.875 -2.135 15.040 1.00 0.00 C ATOM 510 CG LYS A 36 6.238 -2.791 15.188 1.00 0.00 C ATOM 511 CD LYS A 36 6.231 -4.216 14.657 1.00 0.00 C ATOM 512 CE LYS A 36 7.560 -4.910 14.908 1.00 0.00 C ATOM 513 NZ LYS A 36 7.553 -6.316 14.418 1.00 0.00 N ATOM 0 H LYS A 36 3.189 -0.741 16.747 1.00 0.00 H new ATOM 0 HA LYS A 36 5.882 -0.321 15.588 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.146 -2.692 15.628 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.560 -2.200 13.998 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.985 -2.205 14.652 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.529 -2.794 16.238 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.429 -4.779 15.134 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.021 -4.206 13.588 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.358 -4.357 14.412 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.780 -4.899 15.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.477 -6.754 14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.808 -6.851 14.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.369 -6.326 13.394 1.00 0.00 H new ATOM 527 N VAL A 37 4.943 1.029 13.753 1.00 0.00 N ATOM 528 CA VAL A 37 4.409 1.902 12.717 1.00 0.00 C ATOM 529 C VAL A 37 5.157 1.717 11.403 1.00 0.00 C ATOM 530 O VAL A 37 6.368 1.922 11.332 1.00 0.00 O ATOM 531 CB VAL A 37 4.487 3.381 13.137 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.807 4.271 12.105 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.867 3.578 14.512 1.00 0.00 C ATOM 0 H VAL A 37 5.946 1.127 13.912 1.00 0.00 H new ATOM 0 HA VAL A 37 3.364 1.626 12.577 1.00 0.00 H new ATOM 0 HB VAL A 37 5.537 3.668 13.191 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.874 5.312 12.422 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.301 4.153 11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.759 3.986 12.013 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.931 4.629 14.793 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.821 3.272 14.487 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.404 2.974 15.243 1.00 0.00 H new ATOM 543 N HIS A 38 4.427 1.325 10.365 1.00 0.00 N ATOM 544 CA HIS A 38 5.024 1.114 9.049 1.00 0.00 C ATOM 545 C HIS A 38 4.598 2.198 8.075 1.00 0.00 C ATOM 546 O HIS A 38 3.459 2.654 8.085 1.00 0.00 O ATOM 547 CB HIS A 38 4.645 -0.251 8.486 1.00 0.00 C ATOM 548 CG HIS A 38 5.216 -0.523 7.128 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.022 0.106 5.945 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 6.093 -1.555 6.872 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 5.781 -0.550 5.006 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 6.416 -1.549 5.590 1.00 0.00 N flip ATOM 0 H HIS A 38 3.424 1.147 10.408 1.00 0.00 H new ATOM 0 HA HIS A 38 6.106 1.157 9.176 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.984 -1.025 9.175 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.559 -0.324 8.435 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.459 -2.259 7.605 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.847 -0.290 3.960 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.048 -2.205 5.131 1.00 0.00 H new ATOM 561 N THR A 39 5.531 2.599 7.231 1.00 0.00 N ATOM 562 CA THR A 39 5.269 3.628 6.233 1.00 0.00 C ATOM 563 C THR A 39 5.369 3.048 4.827 1.00 0.00 C ATOM 564 O THR A 39 6.340 2.370 4.492 1.00 0.00 O ATOM 565 CB THR A 39 6.249 4.790 6.394 1.00 0.00 C ATOM 566 OG1 THR A 39 6.370 5.159 7.756 1.00 0.00 O ATOM 567 CG2 THR A 39 5.844 6.025 5.619 1.00 0.00 C ATOM 0 H THR A 39 6.481 2.228 7.214 1.00 0.00 H new ATOM 0 HA THR A 39 4.256 4.001 6.384 1.00 0.00 H new ATOM 0 HB THR A 39 7.197 4.426 5.998 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.003 5.903 7.838 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.582 6.812 5.777 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.789 5.786 4.557 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.869 6.368 5.965 1.00 0.00 H new ATOM 575 N VAL A 40 4.355 3.311 4.010 1.00 0.00 N ATOM 576 CA VAL A 40 4.324 2.808 2.643 1.00 0.00 C ATOM 577 C VAL A 40 4.506 3.932 1.631 1.00 0.00 C ATOM 578 O VAL A 40 3.900 4.998 1.757 1.00 0.00 O ATOM 579 CB VAL A 40 2.998 2.085 2.345 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.055 1.389 0.995 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.668 1.094 3.449 1.00 0.00 C ATOM 0 H VAL A 40 3.543 3.870 4.272 1.00 0.00 H new ATOM 0 HA VAL A 40 5.151 2.104 2.551 1.00 0.00 H new ATOM 0 HB VAL A 40 2.204 2.831 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.107 0.885 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.237 2.126 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.862 0.656 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.727 0.594 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.464 0.353 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.575 1.623 4.397 1.00 0.00 H new ATOM 591 N VAL A 41 5.331 3.684 0.622 1.00 0.00 N ATOM 592 CA VAL A 41 5.580 4.670 -0.420 1.00 0.00 C ATOM 593 C VAL A 41 4.619 4.467 -1.584 1.00 0.00 C ATOM 594 O VAL A 41 4.517 3.370 -2.131 1.00 0.00 O ATOM 595 CB VAL A 41 7.028 4.596 -0.940 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.314 5.742 -1.897 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.012 4.601 0.221 1.00 0.00 C ATOM 0 H VAL A 41 5.839 2.808 0.504 1.00 0.00 H new ATOM 0 HA VAL A 41 5.422 5.654 0.022 1.00 0.00 H new ATOM 0 HB VAL A 41 7.150 3.661 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.342 5.671 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.632 5.686 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.174 6.691 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.030 4.548 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.890 5.518 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.822 3.741 0.863 1.00 0.00 H new ATOM 607 N LEU A 42 3.905 5.524 -1.947 1.00 0.00 N ATOM 608 CA LEU A 42 2.936 5.458 -3.035 1.00 0.00 C ATOM 609 C LEU A 42 3.582 5.752 -4.389 1.00 0.00 C ATOM 610 O LEU A 42 2.973 5.528 -5.434 1.00 0.00 O ATOM 611 CB LEU A 42 1.794 6.441 -2.775 1.00 0.00 C ATOM 612 CG LEU A 42 1.316 6.501 -1.322 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.137 7.451 -1.184 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.950 5.109 -0.822 1.00 0.00 C ATOM 0 H LEU A 42 3.978 6.440 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 42 2.543 4.442 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.115 7.437 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.950 6.171 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 42 2.132 6.881 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.188 7.479 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.437 8.451 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.685 7.105 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.612 5.171 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.152 4.699 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.824 4.460 -0.880 1.00 0.00 H new ATOM 626 N SER A 43 4.817 6.248 -4.368 1.00 0.00 N ATOM 627 CA SER A 43 5.530 6.562 -5.601 1.00 0.00 C ATOM 628 C SER A 43 6.104 5.297 -6.226 1.00 0.00 C ATOM 629 O SER A 43 6.256 5.208 -7.444 1.00 0.00 O ATOM 630 CB SER A 43 6.650 7.565 -5.328 1.00 0.00 C ATOM 631 OG SER A 43 7.612 7.556 -6.369 1.00 0.00 O ATOM 0 H SER A 43 5.342 6.440 -3.515 1.00 0.00 H new ATOM 0 HA SER A 43 4.822 7.006 -6.301 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.229 8.565 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.133 7.325 -4.381 1.00 0.00 H new ATOM 0 HG SER A 43 8.316 8.208 -6.169 1.00 0.00 H new ATOM 637 N THR A 44 6.422 4.321 -5.383 1.00 0.00 N ATOM 638 CA THR A 44 6.980 3.061 -5.854 1.00 0.00 C ATOM 639 C THR A 44 5.883 2.122 -6.349 1.00 0.00 C ATOM 640 O THR A 44 6.149 1.192 -7.109 1.00 0.00 O ATOM 641 CB THR A 44 7.783 2.387 -4.742 1.00 0.00 C ATOM 642 OG1 THR A 44 8.417 1.214 -5.222 1.00 0.00 O ATOM 643 CG2 THR A 44 6.941 1.996 -3.547 1.00 0.00 C ATOM 0 H THR A 44 6.303 4.379 -4.372 1.00 0.00 H new ATOM 0 HA THR A 44 7.643 3.281 -6.690 1.00 0.00 H new ATOM 0 HB THR A 44 8.514 3.130 -4.423 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.927 0.798 -4.496 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.573 1.523 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.476 2.886 -3.122 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.166 1.297 -3.861 1.00 0.00 H new ATOM 651 N ILE A 45 4.652 2.369 -5.912 1.00 0.00 N ATOM 652 CA ILE A 45 3.520 1.542 -6.310 1.00 0.00 C ATOM 653 C ILE A 45 3.228 1.682 -7.799 1.00 0.00 C ATOM 654 O ILE A 45 2.560 2.624 -8.225 1.00 0.00 O ATOM 655 CB ILE A 45 2.249 1.908 -5.517 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.548 1.943 -4.018 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.134 0.918 -5.816 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.157 0.663 -3.488 1.00 0.00 C ATOM 0 H ILE A 45 4.414 3.135 -5.282 1.00 0.00 H new ATOM 0 HA ILE A 45 3.795 0.510 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 45 1.920 2.900 -5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.227 2.770 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.624 2.146 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.244 1.190 -5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.905 0.938 -6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.452 -0.085 -5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.341 0.763 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.471 -0.166 -3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.099 0.468 -4.001 1.00 0.00 H new ATOM 670 N ASP A 46 3.724 0.734 -8.586 1.00 0.00 N ATOM 671 CA ASP A 46 3.508 0.748 -10.027 1.00 0.00 C ATOM 672 C ASP A 46 2.024 0.595 -10.348 1.00 0.00 C ATOM 673 O ASP A 46 1.546 1.084 -11.372 1.00 0.00 O ATOM 674 CB ASP A 46 4.303 -0.375 -10.696 1.00 0.00 C ATOM 675 CG ASP A 46 4.283 -0.275 -12.210 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.900 0.794 -12.730 1.00 0.00 O ATOM 677 OD2 ASP A 46 4.654 -1.267 -12.874 1.00 0.00 O ATOM 0 H ASP A 46 4.278 -0.054 -8.250 1.00 0.00 H new ATOM 0 HA ASP A 46 3.854 1.706 -10.415 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.335 -0.344 -10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.892 -1.338 -10.393 1.00 0.00 H new ATOM 682 N LYS A 47 1.302 -0.086 -9.463 1.00 0.00 N ATOM 683 CA LYS A 47 -0.127 -0.304 -9.650 1.00 0.00 C ATOM 684 C LYS A 47 -0.782 -0.734 -8.338 1.00 0.00 C ATOM 685 O LYS A 47 -0.096 -1.045 -7.364 1.00 0.00 O ATOM 686 CB LYS A 47 -0.359 -1.351 -10.750 1.00 0.00 C ATOM 687 CG LYS A 47 -0.718 -2.739 -10.240 1.00 0.00 C ATOM 688 CD LYS A 47 -0.609 -3.784 -11.340 1.00 0.00 C ATOM 689 CE LYS A 47 -1.801 -4.728 -11.335 1.00 0.00 C ATOM 690 NZ LYS A 47 -1.458 -6.057 -11.912 1.00 0.00 N ATOM 0 H LYS A 47 1.683 -0.496 -8.610 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.589 0.633 -9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.158 -1.001 -11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.542 -1.424 -11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.057 -3.007 -9.416 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.734 -2.731 -9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.541 -3.288 -12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.310 -4.356 -11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.158 -4.857 -10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.618 -4.285 -11.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.878 -6.143 -12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.424 -6.149 -11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.831 -6.809 -11.298 1.00 0.00 H new ATOM 704 N LEU A 48 -2.110 -0.750 -8.317 1.00 0.00 N ATOM 705 CA LEU A 48 -2.848 -1.141 -7.123 1.00 0.00 C ATOM 706 C LEU A 48 -4.095 -1.944 -7.485 1.00 0.00 C ATOM 707 O LEU A 48 -4.837 -1.582 -8.399 1.00 0.00 O ATOM 708 CB LEU A 48 -3.236 0.095 -6.307 1.00 0.00 C ATOM 709 CG LEU A 48 -4.378 0.932 -6.888 1.00 0.00 C ATOM 710 CD1 LEU A 48 -4.618 2.170 -6.037 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.076 1.324 -8.326 1.00 0.00 C ATOM 0 H LEU A 48 -2.696 -0.497 -9.112 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.198 -1.775 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.517 -0.226 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.357 0.732 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.285 0.327 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.433 2.753 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.881 1.869 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.712 2.776 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.899 1.919 -8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.157 1.910 -8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.954 0.425 -8.930 1.00 0.00 H new ATOM 723 N GLN A 49 -4.319 -3.037 -6.761 1.00 0.00 N ATOM 724 CA GLN A 49 -5.475 -3.892 -7.003 1.00 0.00 C ATOM 725 C GLN A 49 -6.212 -4.190 -5.701 1.00 0.00 C ATOM 726 O GLN A 49 -5.667 -4.009 -4.612 1.00 0.00 O ATOM 727 CB GLN A 49 -5.039 -5.201 -7.665 1.00 0.00 C ATOM 728 CG GLN A 49 -4.348 -5.004 -9.004 1.00 0.00 C ATOM 729 CD GLN A 49 -4.086 -6.314 -9.721 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.922 -6.901 -9.473 1.00 0.00 O flip ATOM 731 NE2 GLN A 49 -4.921 -6.792 -10.490 1.00 0.00 N flip ATOM 0 H GLN A 49 -3.714 -3.351 -6.002 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.153 -3.362 -7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.365 -5.732 -6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.914 -5.836 -7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.964 -4.364 -9.636 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.403 -4.483 -8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.803 -6.306 -10.651 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.730 -7.674 -10.966 1.00 0.00 H new ATOM 740 N ALA A 50 -7.453 -4.647 -5.822 1.00 0.00 N ATOM 741 CA ALA A 50 -8.265 -4.971 -4.655 1.00 0.00 C ATOM 742 C ALA A 50 -9.104 -6.221 -4.899 1.00 0.00 C ATOM 743 O ALA A 50 -9.300 -6.635 -6.042 1.00 0.00 O ATOM 744 CB ALA A 50 -9.160 -3.795 -4.293 1.00 0.00 C ATOM 0 H ALA A 50 -7.919 -4.802 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.593 -5.174 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.761 -4.050 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.544 -2.925 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.817 -3.566 -5.132 1.00 0.00 H new ATOM 750 N THR A 51 -9.595 -6.818 -3.819 1.00 0.00 N ATOM 751 CA THR A 51 -10.412 -8.023 -3.917 1.00 0.00 C ATOM 752 C THR A 51 -11.782 -7.703 -4.514 1.00 0.00 C ATOM 753 O THR A 51 -12.318 -6.614 -4.308 1.00 0.00 O ATOM 754 CB THR A 51 -10.580 -8.664 -2.538 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.837 -7.676 -1.555 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.366 -9.450 -2.092 1.00 0.00 C ATOM 0 H THR A 51 -9.442 -6.488 -2.866 1.00 0.00 H new ATOM 0 HA THR A 51 -9.903 -8.726 -4.576 1.00 0.00 H new ATOM 0 HB THR A 51 -11.421 -9.351 -2.638 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.649 -7.911 -1.059 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.551 -9.878 -1.107 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.169 -10.251 -2.805 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.502 -8.788 -2.043 1.00 0.00 H new ATOM 764 N PRO A 52 -12.366 -8.652 -5.266 1.00 0.00 N ATOM 765 CA PRO A 52 -13.679 -8.464 -5.893 1.00 0.00 C ATOM 766 C PRO A 52 -14.804 -8.369 -4.869 1.00 0.00 C ATOM 767 O PRO A 52 -14.654 -8.797 -3.725 1.00 0.00 O ATOM 768 CB PRO A 52 -13.847 -9.716 -6.759 1.00 0.00 C ATOM 769 CG PRO A 52 -12.962 -10.736 -6.132 1.00 0.00 C ATOM 770 CD PRO A 52 -11.795 -9.978 -5.564 1.00 0.00 C ATOM 0 HA PRO A 52 -13.729 -7.532 -6.456 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.885 -10.049 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.558 -9.524 -7.792 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.490 -11.283 -5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.631 -11.470 -6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.402 -10.457 -4.668 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.973 -9.911 -6.277 1.00 0.00 H new ATOM 778 N ALA A 53 -15.931 -7.805 -5.290 1.00 0.00 N ATOM 779 CA ALA A 53 -17.086 -7.653 -4.412 1.00 0.00 C ATOM 780 C ALA A 53 -17.733 -9.000 -4.093 1.00 0.00 C ATOM 781 O ALA A 53 -18.583 -9.092 -3.207 1.00 0.00 O ATOM 782 CB ALA A 53 -18.105 -6.716 -5.044 1.00 0.00 C ATOM 0 H ALA A 53 -16.069 -7.445 -6.234 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.736 -7.223 -3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.963 -6.610 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.649 -5.739 -5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.434 -7.127 -5.999 1.00 0.00 H new ATOM 788 N SER A 54 -17.329 -10.042 -4.816 1.00 0.00 N ATOM 789 CA SER A 54 -17.877 -11.377 -4.601 1.00 0.00 C ATOM 790 C SER A 54 -17.067 -12.151 -3.561 1.00 0.00 C ATOM 791 O SER A 54 -17.395 -13.291 -3.234 1.00 0.00 O ATOM 792 CB SER A 54 -17.906 -12.155 -5.918 1.00 0.00 C ATOM 793 OG SER A 54 -18.722 -13.307 -5.812 1.00 0.00 O ATOM 0 H SER A 54 -16.626 -9.987 -5.553 1.00 0.00 H new ATOM 0 HA SER A 54 -18.894 -11.262 -4.225 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.280 -11.513 -6.715 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.893 -12.447 -6.194 1.00 0.00 H new ATOM 0 HG SER A 54 -18.611 -13.706 -4.924 1.00 0.00 H new ATOM 799 N SER A 55 -16.011 -11.530 -3.042 1.00 0.00 N ATOM 800 CA SER A 55 -15.166 -12.163 -2.042 1.00 0.00 C ATOM 801 C SER A 55 -15.434 -11.578 -0.665 1.00 0.00 C ATOM 802 O SER A 55 -15.155 -10.406 -0.411 1.00 0.00 O ATOM 803 CB SER A 55 -13.693 -11.986 -2.412 1.00 0.00 C ATOM 804 OG SER A 55 -13.164 -10.791 -1.860 1.00 0.00 O ATOM 0 H SER A 55 -15.722 -10.586 -3.300 1.00 0.00 H new ATOM 0 HA SER A 55 -15.400 -13.227 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.120 -12.840 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.588 -11.966 -3.497 1.00 0.00 H new ATOM 0 HG SER A 55 -13.899 -10.193 -1.609 1.00 0.00 H new ATOM 810 N GLU A 56 -15.972 -12.402 0.225 1.00 0.00 N ATOM 811 CA GLU A 56 -16.266 -11.965 1.582 1.00 0.00 C ATOM 812 C GLU A 56 -15.001 -11.472 2.277 1.00 0.00 C ATOM 813 O GLU A 56 -15.069 -10.758 3.277 1.00 0.00 O ATOM 814 CB GLU A 56 -16.891 -13.106 2.384 1.00 0.00 C ATOM 815 CG GLU A 56 -18.237 -13.565 1.843 1.00 0.00 C ATOM 816 CD GLU A 56 -18.873 -14.645 2.698 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.176 -15.197 3.575 1.00 0.00 O ATOM 818 OE2 GLU A 56 -20.069 -14.936 2.491 1.00 0.00 O ATOM 0 H GLU A 56 -16.213 -13.374 0.032 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.976 -11.140 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.204 -13.952 2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.015 -12.786 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.911 -12.710 1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.107 -13.940 0.828 1.00 0.00 H new ATOM 825 N LYS A 57 -13.848 -11.861 1.741 1.00 0.00 N ATOM 826 CA LYS A 57 -12.567 -11.458 2.308 1.00 0.00 C ATOM 827 C LYS A 57 -12.054 -10.184 1.645 1.00 0.00 C ATOM 828 O LYS A 57 -11.933 -10.114 0.422 1.00 0.00 O ATOM 829 CB LYS A 57 -11.540 -12.580 2.149 1.00 0.00 C ATOM 830 CG LYS A 57 -11.209 -12.902 0.701 1.00 0.00 C ATOM 831 CD LYS A 57 -10.241 -14.071 0.596 1.00 0.00 C ATOM 832 CE LYS A 57 -10.907 -15.381 0.982 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.271 -16.546 0.308 1.00 0.00 N ATOM 0 H LYS A 57 -13.775 -12.455 0.915 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.715 -11.258 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.624 -12.299 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.919 -13.479 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.126 -13.138 0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.774 -12.024 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.862 -14.141 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.382 -13.893 1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.852 -15.512 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.964 -15.342 0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.754 -17.421 0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.346 -16.434 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.268 -16.599 0.578 1.00 0.00 H new ATOM 847 N MET A 58 -11.752 -9.178 2.460 1.00 0.00 N ATOM 848 CA MET A 58 -11.253 -7.907 1.953 1.00 0.00 C ATOM 849 C MET A 58 -9.728 -7.874 1.979 1.00 0.00 C ATOM 850 O MET A 58 -9.111 -8.025 3.034 1.00 0.00 O ATOM 851 CB MET A 58 -11.812 -6.748 2.780 1.00 0.00 C ATOM 852 CG MET A 58 -13.301 -6.873 3.067 1.00 0.00 C ATOM 853 SD MET A 58 -13.675 -6.884 4.833 1.00 0.00 S ATOM 854 CE MET A 58 -15.377 -7.442 4.815 1.00 0.00 C ATOM 0 H MET A 58 -11.845 -9.220 3.475 1.00 0.00 H new ATOM 0 HA MET A 58 -11.585 -7.801 0.920 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.271 -6.691 3.725 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.629 -5.813 2.251 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.828 -6.045 2.594 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.678 -7.790 2.615 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.982 -6.783 5.438 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.755 -7.424 3.793 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.431 -8.459 5.203 1.00 0.00 H new ATOM 864 N MET A 59 -9.123 -7.680 0.811 1.00 0.00 N ATOM 865 CA MET A 59 -7.670 -7.633 0.701 1.00 0.00 C ATOM 866 C MET A 59 -7.237 -6.747 -0.463 1.00 0.00 C ATOM 867 O MET A 59 -7.697 -6.922 -1.592 1.00 0.00 O ATOM 868 CB MET A 59 -7.111 -9.046 0.516 1.00 0.00 C ATOM 869 CG MET A 59 -5.598 -9.093 0.390 1.00 0.00 C ATOM 870 SD MET A 59 -5.003 -10.664 -0.263 1.00 0.00 S ATOM 871 CE MET A 59 -5.402 -11.767 1.092 1.00 0.00 C ATOM 0 H MET A 59 -9.617 -7.553 -0.072 1.00 0.00 H new ATOM 0 HA MET A 59 -7.274 -7.206 1.622 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.415 -9.661 1.363 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.555 -9.489 -0.376 1.00 0.00 H new ATOM 0 HG2 MET A 59 -5.266 -8.284 -0.262 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.150 -8.918 1.368 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.030 -12.767 0.869 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.936 -11.402 2.007 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.483 -11.803 1.225 1.00 0.00 H new ATOM 881 N LEU A 60 -6.348 -5.798 -0.185 1.00 0.00 N ATOM 882 CA LEU A 60 -5.852 -4.891 -1.213 1.00 0.00 C ATOM 883 C LEU A 60 -4.359 -5.102 -1.443 1.00 0.00 C ATOM 884 O LEU A 60 -3.550 -4.919 -0.533 1.00 0.00 O ATOM 885 CB LEU A 60 -6.118 -3.438 -0.815 1.00 0.00 C ATOM 886 CG LEU A 60 -7.566 -2.974 -0.983 1.00 0.00 C ATOM 887 CD1 LEU A 60 -8.511 -3.886 -0.216 1.00 0.00 C ATOM 888 CD2 LEU A 60 -7.719 -1.533 -0.519 1.00 0.00 C ATOM 0 H LEU A 60 -5.957 -5.638 0.743 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.382 -5.107 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.829 -3.304 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.474 -2.791 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.825 -3.025 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.536 -3.540 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.420 -4.904 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.255 -3.868 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.755 -1.218 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.442 -1.458 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.069 -0.889 -1.112 1.00 0.00 H new ATOM 900 N ARG A 61 -4.002 -5.489 -2.663 1.00 0.00 N ATOM 901 CA ARG A 61 -2.606 -5.727 -3.012 1.00 0.00 C ATOM 902 C ARG A 61 -2.040 -4.566 -3.822 1.00 0.00 C ATOM 903 O ARG A 61 -2.716 -4.014 -4.690 1.00 0.00 O ATOM 904 CB ARG A 61 -2.473 -7.029 -3.803 1.00 0.00 C ATOM 905 CG ARG A 61 -1.036 -7.382 -4.157 1.00 0.00 C ATOM 906 CD ARG A 61 -0.964 -8.639 -5.008 1.00 0.00 C ATOM 907 NE ARG A 61 -1.514 -9.801 -4.314 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.436 -11.046 -4.777 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.836 -11.296 -5.934 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.963 -12.046 -4.082 1.00 0.00 N ATOM 0 H ARG A 61 -4.660 -5.645 -3.427 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.036 -5.811 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.906 -7.843 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.055 -6.948 -4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.578 -6.551 -4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.460 -7.527 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.510 -8.479 -5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.074 -8.835 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.985 -9.649 -3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.431 -10.531 -6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.780 -12.253 -6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.428 -11.860 -3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.903 -13.001 -4.437 1.00 0.00 H new ATOM 924 N LEU A 62 -0.796 -4.202 -3.532 1.00 0.00 N ATOM 925 CA LEU A 62 -0.137 -3.105 -4.234 1.00 0.00 C ATOM 926 C LEU A 62 1.187 -3.563 -4.840 1.00 0.00 C ATOM 927 O LEU A 62 2.052 -4.091 -4.142 1.00 0.00 O ATOM 928 CB LEU A 62 0.098 -1.932 -3.280 1.00 0.00 C ATOM 929 CG LEU A 62 -0.703 -0.669 -3.601 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.179 -0.886 -3.308 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.168 0.516 -2.813 1.00 0.00 C ATOM 0 H LEU A 62 -0.223 -4.650 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.789 -2.779 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.147 -2.252 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.159 -1.683 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.593 -0.451 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.734 0.023 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.554 -1.708 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.309 -1.129 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.750 1.406 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.247 0.309 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.877 0.684 -3.073 1.00 0.00 H new ATOM 943 N ILE A 63 1.334 -3.357 -6.144 1.00 0.00 N ATOM 944 CA ILE A 63 2.548 -3.747 -6.848 1.00 0.00 C ATOM 945 C ILE A 63 3.486 -2.558 -7.026 1.00 0.00 C ATOM 946 O ILE A 63 3.057 -1.461 -7.384 1.00 0.00 O ATOM 947 CB ILE A 63 2.224 -4.352 -8.230 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.259 -5.528 -8.069 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.500 -4.799 -8.934 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.194 -5.145 -8.232 1.00 0.00 C ATOM 0 H ILE A 63 0.626 -2.921 -6.735 1.00 0.00 H new ATOM 0 HA ILE A 63 3.042 -4.503 -6.238 1.00 0.00 H new ATOM 0 HB ILE A 63 1.749 -3.588 -8.845 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.508 -6.295 -8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.401 -5.971 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.250 -5.223 -9.907 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.160 -3.942 -9.070 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.004 -5.552 -8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.820 -6.028 -8.105 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.460 -4.401 -7.482 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.351 -4.729 -9.227 1.00 0.00 H new ATOM 962 N GLY A 64 4.770 -2.786 -6.771 1.00 0.00 N ATOM 963 CA GLY A 64 5.755 -1.730 -6.904 1.00 0.00 C ATOM 964 C GLY A 64 6.236 -1.560 -8.332 1.00 0.00 C ATOM 965 O GLY A 64 5.734 -2.214 -9.245 1.00 0.00 O ATOM 0 H GLY A 64 5.146 -3.686 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.326 -0.791 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.607 -1.950 -6.261 1.00 0.00 H new ATOM 969 N LYS A 65 7.213 -0.678 -8.524 1.00 0.00 N ATOM 970 CA LYS A 65 7.764 -0.421 -9.850 1.00 0.00 C ATOM 971 C LYS A 65 9.254 -0.744 -9.895 1.00 0.00 C ATOM 972 O LYS A 65 9.827 -1.214 -8.912 1.00 0.00 O ATOM 973 CB LYS A 65 7.536 1.040 -10.245 1.00 0.00 C ATOM 974 CG LYS A 65 8.281 2.031 -9.366 1.00 0.00 C ATOM 975 CD LYS A 65 7.882 3.464 -9.680 1.00 0.00 C ATOM 976 CE LYS A 65 8.312 3.867 -11.082 1.00 0.00 C ATOM 977 NZ LYS A 65 7.729 5.176 -11.486 1.00 0.00 N ATOM 0 H LYS A 65 7.639 -0.129 -7.777 1.00 0.00 H new ATOM 0 HA LYS A 65 7.250 -1.068 -10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.846 1.180 -11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.469 1.258 -10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.074 1.816 -8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.355 1.911 -9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.801 3.571 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.335 4.137 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.400 3.925 -11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.005 3.098 -11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.046 5.415 -12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.691 5.114 -11.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.042 5.915 -10.824 1.00 0.00 H new ATOM 991 N VAL A 66 9.874 -0.491 -11.042 1.00 0.00 N ATOM 992 CA VAL A 66 11.297 -0.752 -11.218 1.00 0.00 C ATOM 993 C VAL A 66 12.069 0.545 -11.435 1.00 0.00 C ATOM 994 O VAL A 66 11.610 1.440 -12.143 1.00 0.00 O ATOM 995 CB VAL A 66 11.553 -1.694 -12.410 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.006 -2.140 -12.435 1.00 0.00 C ATOM 997 CG2 VAL A 66 10.616 -2.892 -12.358 1.00 0.00 C ATOM 0 H VAL A 66 9.412 -0.105 -11.865 1.00 0.00 H new ATOM 0 HA VAL A 66 11.646 -1.233 -10.304 1.00 0.00 H new ATOM 0 HB VAL A 66 11.350 -1.148 -13.331 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.168 -2.805 -13.284 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.653 -1.268 -12.529 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.241 -2.668 -11.511 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.813 -3.545 -13.208 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.781 -3.443 -11.432 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.583 -2.548 -12.397 1.00 0.00 H new ATOM 1007 N ASP A 67 13.243 0.639 -10.822 1.00 0.00 N ATOM 1008 CA ASP A 67 14.079 1.830 -10.950 1.00 0.00 C ATOM 1009 C ASP A 67 14.716 1.902 -12.334 1.00 0.00 C ATOM 1010 O ASP A 67 15.939 1.837 -12.472 1.00 0.00 O ATOM 1011 CB ASP A 67 15.164 1.834 -9.871 1.00 0.00 C ATOM 1012 CG ASP A 67 14.591 1.970 -8.473 1.00 0.00 C ATOM 1013 OD1 ASP A 67 13.413 2.368 -8.350 1.00 0.00 O ATOM 1014 OD2 ASP A 67 15.320 1.681 -7.501 1.00 0.00 O ATOM 0 H ASP A 67 13.638 -0.093 -10.232 1.00 0.00 H new ATOM 0 HA ASP A 67 13.444 2.706 -10.819 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.740 0.911 -9.936 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.856 2.655 -10.058 1.00 0.00 H new ATOM 1019 N GLU A 68 13.879 2.033 -13.359 1.00 0.00 N ATOM 1020 CA GLU A 68 14.358 2.113 -14.733 1.00 0.00 C ATOM 1021 C GLU A 68 13.348 2.836 -15.619 1.00 0.00 C ATOM 1022 O GLU A 68 13.064 2.402 -16.735 1.00 0.00 O ATOM 1023 CB GLU A 68 14.624 0.710 -15.281 1.00 0.00 C ATOM 1024 CG GLU A 68 15.831 0.031 -14.653 1.00 0.00 C ATOM 1025 CD GLU A 68 16.108 -1.337 -15.250 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.236 -1.854 -15.981 1.00 0.00 O ATOM 1027 OE2 GLU A 68 17.196 -1.889 -14.987 1.00 0.00 O ATOM 0 H GLU A 68 12.865 2.086 -13.263 1.00 0.00 H new ATOM 0 HA GLU A 68 15.288 2.681 -14.737 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.742 0.091 -15.116 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.772 0.772 -16.359 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.708 0.665 -14.783 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.668 -0.071 -13.580 1.00 0.00 H new ATOM 1034 N SER A 69 12.808 3.939 -15.112 1.00 0.00 N ATOM 1035 CA SER A 69 11.827 4.722 -15.857 1.00 0.00 C ATOM 1036 C SER A 69 12.405 5.208 -17.182 1.00 0.00 C ATOM 1037 O SER A 69 11.667 5.473 -18.132 1.00 0.00 O ATOM 1038 CB SER A 69 11.356 5.916 -15.024 1.00 0.00 C ATOM 1039 OG SER A 69 12.402 6.853 -14.837 1.00 0.00 O ATOM 0 H SER A 69 13.032 4.311 -14.189 1.00 0.00 H new ATOM 0 HA SER A 69 10.975 4.077 -16.070 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.515 6.400 -15.520 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.998 5.568 -14.055 1.00 0.00 H new ATOM 0 HG SER A 69 12.074 7.607 -14.303 1.00 0.00 H new ATOM 1045 N LYS A 70 13.725 5.321 -17.238 1.00 0.00 N ATOM 1046 CA LYS A 70 14.404 5.774 -18.447 1.00 0.00 C ATOM 1047 C LYS A 70 14.136 4.823 -19.609 1.00 0.00 C ATOM 1048 O LYS A 70 14.019 5.246 -20.758 1.00 0.00 O ATOM 1049 CB LYS A 70 15.909 5.886 -18.201 1.00 0.00 C ATOM 1050 CG LYS A 70 16.279 6.939 -17.170 1.00 0.00 C ATOM 1051 CD LYS A 70 17.787 7.091 -17.044 1.00 0.00 C ATOM 1052 CE LYS A 70 18.158 8.056 -15.930 1.00 0.00 C ATOM 1053 NZ LYS A 70 17.881 7.483 -14.584 1.00 0.00 N ATOM 0 H LYS A 70 14.349 5.105 -16.460 1.00 0.00 H new ATOM 0 HA LYS A 70 14.012 6.757 -18.707 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.288 4.918 -17.872 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.406 6.120 -19.142 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.838 7.895 -17.451 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.858 6.666 -16.202 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.237 6.118 -16.848 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.198 7.448 -17.988 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.215 8.309 -16.006 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.599 8.984 -16.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.285 8.103 -13.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.853 7.407 -14.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.311 6.539 -14.514 1.00 0.00 H new ATOM 1067 N LYS A 71 14.039 3.533 -19.299 1.00 0.00 N ATOM 1068 CA LYS A 71 13.783 2.520 -20.318 1.00 0.00 C ATOM 1069 C LYS A 71 12.370 1.963 -20.188 1.00 0.00 C ATOM 1070 O LYS A 71 11.874 1.754 -19.081 1.00 0.00 O ATOM 1071 CB LYS A 71 14.803 1.385 -20.204 1.00 0.00 C ATOM 1072 CG LYS A 71 16.247 1.857 -20.261 1.00 0.00 C ATOM 1073 CD LYS A 71 16.566 2.514 -21.596 1.00 0.00 C ATOM 1074 CE LYS A 71 18.043 2.852 -21.711 1.00 0.00 C ATOM 1075 NZ LYS A 71 18.263 4.160 -22.389 1.00 0.00 N ATOM 0 H LYS A 71 14.134 3.165 -18.352 1.00 0.00 H new ATOM 0 HA LYS A 71 13.880 2.991 -21.296 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.640 0.854 -19.266 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.631 0.671 -21.009 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.432 2.564 -19.453 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.914 1.010 -20.102 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.280 1.846 -22.409 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.974 3.423 -21.706 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.487 2.880 -20.716 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.553 2.065 -22.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.283 4.353 -22.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.862 4.126 -23.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 17.798 4.915 -21.846 1.00 0.00 H new ATOM 1089 N ARG A 72 11.727 1.727 -21.326 1.00 0.00 N ATOM 1090 CA ARG A 72 10.370 1.194 -21.340 1.00 0.00 C ATOM 1091 C ARG A 72 10.342 -0.208 -21.941 1.00 0.00 C ATOM 1092 O ARG A 72 10.819 -0.428 -23.054 1.00 0.00 O ATOM 1093 CB ARG A 72 9.445 2.118 -22.133 1.00 0.00 C ATOM 1094 CG ARG A 72 9.269 3.490 -21.502 1.00 0.00 C ATOM 1095 CD ARG A 72 8.249 4.324 -22.259 1.00 0.00 C ATOM 1096 NE ARG A 72 8.210 5.705 -21.784 1.00 0.00 N ATOM 1097 CZ ARG A 72 7.269 6.581 -22.127 1.00 0.00 C ATOM 1098 NH1 ARG A 72 6.289 6.226 -22.948 1.00 0.00 N ATOM 1099 NH2 ARG A 72 7.308 7.817 -21.649 1.00 0.00 N ATOM 0 H ARG A 72 12.123 1.896 -22.250 1.00 0.00 H new ATOM 0 HA ARG A 72 10.019 1.136 -20.310 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.843 2.239 -23.141 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.468 1.644 -22.231 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.951 3.377 -20.466 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.227 4.010 -21.487 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.489 4.313 -23.322 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.262 3.875 -22.151 1.00 0.00 H new ATOM 0 HE ARG A 72 8.948 6.016 -21.152 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.254 5.277 -23.320 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.571 6.902 -23.207 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.059 8.096 -21.018 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.587 8.488 -21.912 1.00 0.00 H new ATOM 1113 N LYS A 73 9.780 -1.152 -21.195 1.00 0.00 N ATOM 1114 CA LYS A 73 9.688 -2.535 -21.651 1.00 0.00 C ATOM 1115 C LYS A 73 8.623 -2.679 -22.733 1.00 0.00 C ATOM 1116 O LYS A 73 7.787 -1.794 -22.918 1.00 0.00 O ATOM 1117 CB LYS A 73 9.369 -3.462 -20.477 1.00 0.00 C ATOM 1118 CG LYS A 73 10.465 -3.506 -19.424 1.00 0.00 C ATOM 1119 CD LYS A 73 10.165 -4.542 -18.352 1.00 0.00 C ATOM 1120 CE LYS A 73 11.204 -4.512 -17.243 1.00 0.00 C ATOM 1121 NZ LYS A 73 10.870 -3.508 -16.196 1.00 0.00 N ATOM 0 H LYS A 73 9.381 -0.985 -20.271 1.00 0.00 H new ATOM 0 HA LYS A 73 10.652 -2.817 -22.074 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.440 -3.137 -20.009 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.199 -4.470 -20.856 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.418 -3.738 -19.899 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.569 -2.524 -18.963 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.177 -4.356 -17.931 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.139 -5.535 -18.801 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.278 -5.500 -16.788 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.181 -4.282 -17.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.603 -3.519 -15.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.824 -2.562 -16.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.949 -3.741 -15.773 1.00 0.00 H new ATOM 1135 N ASP A 74 8.660 -3.799 -23.447 1.00 0.00 N ATOM 1136 CA ASP A 74 7.698 -4.060 -24.512 1.00 0.00 C ATOM 1137 C ASP A 74 6.743 -5.183 -24.120 1.00 0.00 C ATOM 1138 O ASP A 74 6.807 -5.706 -23.007 1.00 0.00 O ATOM 1139 CB ASP A 74 8.426 -4.421 -25.807 1.00 0.00 C ATOM 1140 CG ASP A 74 9.259 -3.273 -26.342 1.00 0.00 C ATOM 1141 OD1 ASP A 74 9.029 -2.123 -25.914 1.00 0.00 O ATOM 1142 OD2 ASP A 74 10.142 -3.525 -27.189 1.00 0.00 O ATOM 0 H ASP A 74 9.346 -4.541 -23.308 1.00 0.00 H new ATOM 0 HA ASP A 74 7.115 -3.153 -24.672 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.070 -5.282 -25.630 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.696 -4.718 -26.560 1.00 0.00 H new ATOM 1147 N ASN A 75 5.857 -5.546 -25.040 1.00 0.00 N ATOM 1148 CA ASN A 75 4.888 -6.608 -24.793 1.00 0.00 C ATOM 1149 C ASN A 75 5.043 -7.750 -25.797 1.00 0.00 C ATOM 1150 O ASN A 75 4.299 -8.730 -25.753 1.00 0.00 O ATOM 1151 CB ASN A 75 3.467 -6.049 -24.866 1.00 0.00 C ATOM 1152 CG ASN A 75 3.216 -4.971 -23.829 1.00 0.00 C ATOM 1153 OD1 ASN A 75 3.698 -5.056 -22.700 1.00 0.00 O ATOM 1154 ND2 ASN A 75 2.458 -3.949 -24.210 1.00 0.00 N ATOM 0 H ASN A 75 5.789 -5.120 -25.965 1.00 0.00 H new ATOM 0 HA ASN A 75 5.075 -7.004 -23.795 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.291 -5.640 -25.861 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.753 -6.860 -24.723 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.255 -3.193 -23.556 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.079 -3.920 -25.157 1.00 0.00 H new ATOM 1161 N GLU A 76 6.011 -7.620 -26.702 1.00 0.00 N ATOM 1162 CA GLU A 76 6.255 -8.643 -27.711 1.00 0.00 C ATOM 1163 C GLU A 76 7.165 -9.741 -27.169 1.00 0.00 C ATOM 1164 O GLU A 76 8.220 -10.025 -27.734 1.00 0.00 O ATOM 1165 CB GLU A 76 6.875 -8.018 -28.963 1.00 0.00 C ATOM 1166 CG GLU A 76 5.904 -7.162 -29.761 1.00 0.00 C ATOM 1167 CD GLU A 76 5.720 -5.781 -29.164 1.00 0.00 C ATOM 1168 OE1 GLU A 76 6.601 -5.342 -28.397 1.00 0.00 O ATOM 1169 OE2 GLU A 76 4.691 -5.136 -29.465 1.00 0.00 O ATOM 0 H GLU A 76 6.637 -6.817 -26.756 1.00 0.00 H new ATOM 0 HA GLU A 76 5.297 -9.091 -27.975 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.728 -7.407 -28.669 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.258 -8.812 -29.604 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.266 -7.066 -30.785 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.938 -7.664 -29.810 1.00 0.00 H new ATOM 1176 N GLY A 77 6.748 -10.355 -26.067 1.00 0.00 N ATOM 1177 CA GLY A 77 7.535 -11.415 -25.465 1.00 0.00 C ATOM 1178 C GLY A 77 8.590 -10.891 -24.510 1.00 0.00 C ATOM 1179 O GLY A 77 9.517 -11.614 -24.146 1.00 0.00 O ATOM 0 H GLY A 77 5.879 -10.137 -25.580 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.872 -12.095 -24.930 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.018 -11.994 -26.252 1.00 0.00 H new ATOM 1183 N ASN A 78 8.451 -9.633 -24.099 1.00 0.00 N ATOM 1184 CA ASN A 78 9.405 -9.023 -23.180 1.00 0.00 C ATOM 1185 C ASN A 78 9.125 -9.455 -21.743 1.00 0.00 C ATOM 1186 O ASN A 78 8.008 -9.311 -21.247 1.00 0.00 O ATOM 1187 CB ASN A 78 9.345 -7.498 -23.287 1.00 0.00 C ATOM 1188 CG ASN A 78 10.345 -6.950 -24.287 1.00 0.00 C ATOM 1189 OD1 ASN A 78 10.992 -5.934 -24.041 1.00 0.00 O ATOM 1190 ND2 ASN A 78 10.473 -7.623 -25.425 1.00 0.00 N ATOM 0 H ASN A 78 7.689 -9.019 -24.387 1.00 0.00 H new ATOM 0 HA ASN A 78 10.404 -9.360 -23.455 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.339 -7.196 -23.580 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.537 -7.060 -22.308 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.129 -7.301 -26.137 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.916 -8.462 -25.587 1.00 0.00 H new ATOM 1197 N GLU A 79 10.148 -9.987 -21.082 1.00 0.00 N ATOM 1198 CA GLU A 79 10.012 -10.442 -19.703 1.00 0.00 C ATOM 1199 C GLU A 79 10.574 -9.411 -18.730 1.00 0.00 C ATOM 1200 O GLU A 79 11.369 -8.553 -19.109 1.00 0.00 O ATOM 1201 CB GLU A 79 10.727 -11.782 -19.514 1.00 0.00 C ATOM 1202 CG GLU A 79 12.233 -11.701 -19.706 1.00 0.00 C ATOM 1203 CD GLU A 79 12.905 -13.059 -19.636 1.00 0.00 C ATOM 1204 OE1 GLU A 79 12.235 -14.034 -19.237 1.00 0.00 O ATOM 1205 OE2 GLU A 79 14.103 -13.146 -19.978 1.00 0.00 O ATOM 0 H GLU A 79 11.079 -10.114 -21.478 1.00 0.00 H new ATOM 0 HA GLU A 79 8.950 -10.571 -19.493 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.517 -12.159 -18.513 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.318 -12.505 -20.219 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.448 -11.243 -20.671 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.658 -11.050 -18.942 1.00 0.00 H new ATOM 1212 N VAL A 80 10.153 -9.502 -17.472 1.00 0.00 N ATOM 1213 CA VAL A 80 10.613 -8.579 -16.443 1.00 0.00 C ATOM 1214 C VAL A 80 11.383 -9.313 -15.351 1.00 0.00 C ATOM 1215 O VAL A 80 10.952 -10.360 -14.869 1.00 0.00 O ATOM 1216 CB VAL A 80 9.435 -7.819 -15.801 1.00 0.00 C ATOM 1217 CG1 VAL A 80 9.943 -6.732 -14.867 1.00 0.00 C ATOM 1218 CG2 VAL A 80 8.532 -7.232 -16.875 1.00 0.00 C ATOM 0 H VAL A 80 9.494 -10.207 -17.142 1.00 0.00 H new ATOM 0 HA VAL A 80 11.274 -7.864 -16.933 1.00 0.00 H new ATOM 0 HB VAL A 80 8.850 -8.524 -15.211 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.096 -6.208 -14.424 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.544 -7.183 -14.077 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.554 -6.025 -15.429 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.706 -6.699 -16.404 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.104 -6.541 -17.494 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.138 -8.035 -17.498 1.00 0.00 H new ATOM 1228 N VAL A 81 12.527 -8.756 -14.963 1.00 0.00 N ATOM 1229 CA VAL A 81 13.357 -9.358 -13.927 1.00 0.00 C ATOM 1230 C VAL A 81 12.966 -8.847 -12.542 1.00 0.00 C ATOM 1231 O VAL A 81 12.348 -7.790 -12.414 1.00 0.00 O ATOM 1232 CB VAL A 81 14.852 -9.067 -14.165 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.332 -9.744 -15.438 1.00 0.00 C ATOM 1234 CG2 VAL A 81 15.101 -7.567 -14.223 1.00 0.00 C ATOM 0 H VAL A 81 12.899 -7.889 -15.351 1.00 0.00 H new ATOM 0 HA VAL A 81 13.191 -10.434 -13.975 1.00 0.00 H new ATOM 0 HB VAL A 81 15.420 -9.474 -13.329 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.389 -9.527 -15.589 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.191 -10.821 -15.352 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.760 -9.370 -16.287 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.162 -7.380 -14.392 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.522 -7.133 -15.039 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.798 -7.111 -13.280 1.00 0.00 H new ATOM 1244 N PRO A 82 13.322 -9.595 -11.483 1.00 0.00 N ATOM 1245 CA PRO A 82 13.004 -9.211 -10.104 1.00 0.00 C ATOM 1246 C PRO A 82 13.450 -7.789 -9.783 1.00 0.00 C ATOM 1247 O PRO A 82 14.549 -7.375 -10.152 1.00 0.00 O ATOM 1248 CB PRO A 82 13.787 -10.222 -9.263 1.00 0.00 C ATOM 1249 CG PRO A 82 13.946 -11.408 -10.147 1.00 0.00 C ATOM 1250 CD PRO A 82 14.060 -10.871 -11.547 1.00 0.00 C ATOM 0 HA PRO A 82 11.931 -9.222 -9.914 1.00 0.00 H new ATOM 0 HB2 PRO A 82 14.755 -9.821 -8.961 1.00 0.00 H new ATOM 0 HB3 PRO A 82 13.249 -10.478 -8.350 1.00 0.00 H new ATOM 0 HG2 PRO A 82 14.833 -11.980 -9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.093 -12.080 -10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.100 -10.720 -11.836 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.622 -11.553 -12.276 1.00 0.00 H new ATOM 1258 N LYS A 83 12.591 -7.045 -9.093 1.00 0.00 N ATOM 1259 CA LYS A 83 12.895 -5.668 -8.722 1.00 0.00 C ATOM 1260 C LYS A 83 11.741 -5.044 -7.940 1.00 0.00 C ATOM 1261 O LYS A 83 11.907 -4.648 -6.786 1.00 0.00 O ATOM 1262 CB LYS A 83 13.194 -4.832 -9.971 1.00 0.00 C ATOM 1263 CG LYS A 83 14.675 -4.561 -10.181 1.00 0.00 C ATOM 1264 CD LYS A 83 15.065 -3.180 -9.679 1.00 0.00 C ATOM 1265 CE LYS A 83 16.433 -3.193 -9.017 1.00 0.00 C ATOM 1266 NZ LYS A 83 17.534 -3.256 -10.019 1.00 0.00 N ATOM 0 H LYS A 83 11.678 -7.374 -8.779 1.00 0.00 H new ATOM 0 HA LYS A 83 13.777 -5.679 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.800 -5.348 -10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.666 -3.881 -9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 83 15.262 -5.318 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.915 -4.645 -11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.070 -2.477 -10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.319 -2.826 -8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.549 -2.298 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.503 -4.049 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.451 -3.263 -9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 17.438 -4.123 -10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 17.483 -2.426 -10.644 1.00 0.00 H new ATOM 1280 N PRO A 84 10.550 -4.945 -8.559 1.00 0.00 N ATOM 1281 CA PRO A 84 9.372 -4.364 -7.910 1.00 0.00 C ATOM 1282 C PRO A 84 8.850 -5.230 -6.769 1.00 0.00 C ATOM 1283 O PRO A 84 8.782 -6.454 -6.886 1.00 0.00 O ATOM 1284 CB PRO A 84 8.340 -4.289 -9.039 1.00 0.00 C ATOM 1285 CG PRO A 84 8.761 -5.336 -10.011 1.00 0.00 C ATOM 1286 CD PRO A 84 10.261 -5.391 -9.936 1.00 0.00 C ATOM 0 HA PRO A 84 9.596 -3.399 -7.455 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.333 -4.477 -8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.330 -3.302 -9.501 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.322 -6.301 -9.759 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.429 -5.088 -11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.636 -6.398 -10.120 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.725 -4.738 -10.676 1.00 0.00 H new ATOM 1294 N GLN A 85 8.480 -4.587 -5.666 1.00 0.00 N ATOM 1295 CA GLN A 85 7.963 -5.298 -4.503 1.00 0.00 C ATOM 1296 C GLN A 85 6.441 -5.227 -4.459 1.00 0.00 C ATOM 1297 O GLN A 85 5.841 -4.259 -4.928 1.00 0.00 O ATOM 1298 CB GLN A 85 8.551 -4.714 -3.218 1.00 0.00 C ATOM 1299 CG GLN A 85 10.065 -4.815 -3.140 1.00 0.00 C ATOM 1300 CD GLN A 85 10.615 -4.332 -1.812 1.00 0.00 C ATOM 1301 OE1 GLN A 85 10.569 -5.046 -0.812 1.00 0.00 O ATOM 1302 NE2 GLN A 85 11.138 -3.110 -1.797 1.00 0.00 N ATOM 0 H GLN A 85 8.529 -3.574 -5.554 1.00 0.00 H new ATOM 0 HA GLN A 85 8.259 -6.344 -4.585 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.261 -3.666 -3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.116 -5.230 -2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.365 -5.851 -3.298 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.506 -4.229 -3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.155 -2.552 -2.651 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.522 -2.730 -0.932 1.00 0.00 H new ATOM 1311 N ARG A 86 5.819 -6.258 -3.897 1.00 0.00 N ATOM 1312 CA ARG A 86 4.366 -6.310 -3.794 1.00 0.00 C ATOM 1313 C ARG A 86 3.917 -6.272 -2.338 1.00 0.00 C ATOM 1314 O ARG A 86 4.471 -6.969 -1.488 1.00 0.00 O ATOM 1315 CB ARG A 86 3.832 -7.575 -4.470 1.00 0.00 C ATOM 1316 CG ARG A 86 4.109 -7.631 -5.964 1.00 0.00 C ATOM 1317 CD ARG A 86 3.473 -8.855 -6.603 1.00 0.00 C ATOM 1318 NE ARG A 86 3.901 -9.033 -7.988 1.00 0.00 N ATOM 1319 CZ ARG A 86 5.072 -9.556 -8.341 1.00 0.00 C ATOM 1320 NH1 ARG A 86 5.937 -9.953 -7.414 1.00 0.00 N ATOM 1321 NH2 ARG A 86 5.382 -9.684 -9.624 1.00 0.00 N ATOM 0 H ARG A 86 6.299 -7.069 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 86 3.962 -5.434 -4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.279 -8.448 -3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.756 -7.638 -4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.724 -6.729 -6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.185 -7.648 -6.135 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.734 -9.742 -6.026 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.388 -8.760 -6.568 1.00 0.00 H new ATOM 0 HE ARG A 86 3.264 -8.739 -8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.705 -9.858 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.833 -10.353 -7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.722 -9.381 -10.341 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.280 -10.085 -9.894 1.00 0.00 H new ATOM 1335 N HIS A 87 2.909 -5.454 -2.059 1.00 0.00 N ATOM 1336 CA HIS A 87 2.378 -5.324 -0.707 1.00 0.00 C ATOM 1337 C HIS A 87 0.933 -5.806 -0.647 1.00 0.00 C ATOM 1338 O HIS A 87 0.048 -5.226 -1.275 1.00 0.00 O ATOM 1339 CB HIS A 87 2.460 -3.868 -0.241 1.00 0.00 C ATOM 1340 CG HIS A 87 3.822 -3.468 0.238 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.096 -3.156 1.554 1.00 0.00 N ATOM 1342 CD2 HIS A 87 4.991 -3.329 -0.430 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.373 -2.840 1.673 1.00 0.00 C ATOM 1344 NE2 HIS A 87 5.939 -2.939 0.485 1.00 0.00 N ATOM 0 H HIS A 87 2.442 -4.870 -2.752 1.00 0.00 H new ATOM 0 HA HIS A 87 2.981 -5.944 -0.044 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.167 -3.215 -1.063 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.741 -3.711 0.563 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.418 -3.168 2.316 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.149 -3.494 -1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.870 -2.550 2.587 1.00 0.00 H new ATOM 1353 N MET A 88 0.700 -6.873 0.111 1.00 0.00 N ATOM 1354 CA MET A 88 -0.639 -7.433 0.249 1.00 0.00 C ATOM 1355 C MET A 88 -1.273 -7.010 1.569 1.00 0.00 C ATOM 1356 O MET A 88 -0.819 -7.407 2.642 1.00 0.00 O ATOM 1357 CB MET A 88 -0.589 -8.958 0.158 1.00 0.00 C ATOM 1358 CG MET A 88 -0.152 -9.473 -1.202 1.00 0.00 C ATOM 1359 SD MET A 88 -0.256 -11.269 -1.331 1.00 0.00 S ATOM 1360 CE MET A 88 0.849 -11.768 -0.014 1.00 0.00 C ATOM 0 H MET A 88 1.420 -7.366 0.638 1.00 0.00 H new ATOM 0 HA MET A 88 -1.252 -7.048 -0.566 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.095 -9.336 0.917 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.576 -9.360 0.389 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.774 -9.021 -1.974 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.874 -9.158 -1.393 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.143 -12.807 -0.160 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.736 -11.135 -0.024 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.341 -11.666 0.945 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.324 -6.201 1.484 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.019 -5.722 2.673 1.00 0.00 C ATOM 1372 C PHE A 89 -4.327 -6.474 2.887 1.00 0.00 C ATOM 1373 O PHE A 89 -5.032 -6.800 1.932 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.296 -4.224 2.557 1.00 0.00 C ATOM 1375 CG PHE A 89 -2.071 -3.379 2.737 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.502 -3.223 3.988 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.489 -2.740 1.654 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.372 -2.444 4.159 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.360 -1.962 1.817 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.200 -1.813 3.071 1.00 0.00 C ATOM 0 H PHE A 89 -2.713 -5.863 0.604 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.374 -5.904 3.533 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.732 -4.017 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.038 -3.940 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.945 -3.715 4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.923 -2.852 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.062 -2.329 5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.085 -1.470 0.965 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.083 -1.205 3.201 1.00 0.00 H new ATOM 1390 N SER A 90 -4.647 -6.736 4.149 1.00 0.00 N ATOM 1391 CA SER A 90 -5.877 -7.442 4.497 1.00 0.00 C ATOM 1392 C SER A 90 -6.824 -6.519 5.256 1.00 0.00 C ATOM 1393 O SER A 90 -6.445 -5.917 6.261 1.00 0.00 O ATOM 1394 CB SER A 90 -5.561 -8.680 5.339 1.00 0.00 C ATOM 1395 OG SER A 90 -6.248 -9.819 4.848 1.00 0.00 O ATOM 0 H SER A 90 -4.073 -6.471 4.949 1.00 0.00 H new ATOM 0 HA SER A 90 -6.364 -7.760 3.575 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.487 -8.866 5.329 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.843 -8.500 6.376 1.00 0.00 H new ATOM 0 HG SER A 90 -6.028 -10.597 5.402 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.052 -6.397 4.762 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.040 -5.534 5.388 1.00 0.00 C ATOM 1403 C PHE A 91 -10.071 -6.329 6.171 1.00 0.00 C ATOM 1404 O PHE A 91 -10.539 -7.377 5.725 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.743 -4.692 4.330 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.969 -3.475 3.939 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.941 -3.563 3.015 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.262 -2.246 4.500 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.219 -2.446 2.655 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.542 -1.120 4.147 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.519 -1.220 3.221 1.00 0.00 C ATOM 0 H PHE A 91 -8.384 -6.886 3.930 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.512 -4.886 6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.918 -5.304 3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.720 -4.388 4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.702 -4.518 2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.062 -2.165 5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.420 -2.528 1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.777 -0.165 4.593 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.956 -0.342 2.941 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.437 -5.804 7.332 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.434 -6.441 8.175 1.00 0.00 C ATOM 1423 C ASN A 92 -12.791 -5.766 7.993 1.00 0.00 C ATOM 1424 O ASN A 92 -13.733 -6.038 8.738 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.009 -6.376 9.644 1.00 0.00 C ATOM 1426 CG ASN A 92 -9.770 -7.203 9.924 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -8.794 -6.708 10.488 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.803 -8.471 9.531 1.00 0.00 N ATOM 0 H ASN A 92 -10.056 -4.937 7.711 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.519 -7.487 7.880 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.820 -5.338 9.919 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.827 -6.728 10.272 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.998 -9.076 9.693 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.633 -8.840 9.067 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.889 -4.882 6.996 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.131 -4.178 6.728 1.00 0.00 C ATOM 1437 C ASN A 93 -14.240 -3.787 5.258 1.00 0.00 C ATOM 1438 O ASN A 93 -13.349 -3.138 4.710 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.241 -2.934 7.609 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.666 -2.658 8.048 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.195 -1.507 7.654 1.00 0.00 O flip ATOM 1442 ND2 ASN A 93 -16.286 -3.474 8.732 1.00 0.00 N flip ATOM 0 H ASN A 93 -12.122 -4.642 6.367 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.953 -4.854 6.962 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.611 -3.059 8.489 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.859 -2.071 7.063 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -15.840 -4.347 9.013 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.245 -3.276 9.017 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.339 -4.186 4.628 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.570 -3.878 3.222 1.00 0.00 C ATOM 1451 C ARG A 94 -15.615 -2.371 3.000 1.00 0.00 C ATOM 1452 O ARG A 94 -15.048 -1.858 2.035 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.877 -4.516 2.745 1.00 0.00 C ATOM 1454 CG ARG A 94 -17.053 -4.485 1.236 1.00 0.00 C ATOM 1455 CD ARG A 94 -18.071 -3.438 0.813 1.00 0.00 C ATOM 1456 NE ARG A 94 -19.392 -3.697 1.380 1.00 0.00 N ATOM 1457 CZ ARG A 94 -20.504 -3.086 0.977 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -20.459 -2.182 0.007 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -21.665 -3.381 1.546 1.00 0.00 N ATOM 0 H ARG A 94 -16.085 -4.724 5.069 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.743 -4.290 2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.912 -5.551 3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.716 -3.999 3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.095 -4.274 0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -17.373 -5.467 0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.729 -2.452 1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.141 -3.419 -0.275 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.467 -4.386 2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.569 -1.952 -0.435 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.315 -1.717 -0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.706 -4.076 2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -22.517 -2.913 1.238 1.00 0.00 H new ATOM 1473 N THR A 95 -16.289 -1.662 3.898 1.00 0.00 N ATOM 1474 CA THR A 95 -16.409 -0.228 3.807 1.00 0.00 C ATOM 1475 C THR A 95 -15.051 0.439 3.952 1.00 0.00 C ATOM 1476 O THR A 95 -14.725 1.382 3.229 1.00 0.00 O ATOM 1477 CB THR A 95 -17.360 0.253 4.892 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.203 -0.803 5.323 1.00 0.00 O ATOM 1479 CG2 THR A 95 -18.246 1.381 4.444 1.00 0.00 C ATOM 0 H THR A 95 -16.763 -2.071 4.703 1.00 0.00 H new ATOM 0 HA THR A 95 -16.804 0.041 2.827 1.00 0.00 H new ATOM 0 HB THR A 95 -16.721 0.608 5.701 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.802 -1.245 6.100 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.900 1.678 5.264 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.631 2.230 4.145 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.850 1.055 3.598 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.265 -0.061 4.888 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.935 0.473 5.136 1.00 0.00 C ATOM 1489 C VAL A 96 -11.995 0.130 3.990 1.00 0.00 C ATOM 1490 O VAL A 96 -11.088 0.895 3.663 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.346 -0.057 6.460 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.957 0.515 6.702 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.271 0.267 7.624 1.00 0.00 C ATOM 0 H VAL A 96 -14.525 -0.840 5.493 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.034 1.556 5.212 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.257 -1.141 6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.562 0.127 7.641 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.297 0.226 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.015 1.602 6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.839 -0.115 8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.395 1.347 7.700 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.242 -0.199 7.458 1.00 0.00 H new ATOM 1503 N MET A 97 -12.223 -1.025 3.382 1.00 0.00 N ATOM 1504 CA MET A 97 -11.401 -1.473 2.266 1.00 0.00 C ATOM 1505 C MET A 97 -11.781 -0.732 0.987 1.00 0.00 C ATOM 1506 O MET A 97 -10.938 -0.491 0.124 1.00 0.00 O ATOM 1507 CB MET A 97 -11.527 -2.995 2.083 1.00 0.00 C ATOM 1508 CG MET A 97 -12.585 -3.429 1.076 1.00 0.00 C ATOM 1509 SD MET A 97 -11.897 -3.737 -0.563 1.00 0.00 S ATOM 1510 CE MET A 97 -12.280 -5.475 -0.769 1.00 0.00 C ATOM 0 H MET A 97 -12.970 -1.669 3.642 1.00 0.00 H new ATOM 0 HA MET A 97 -10.359 -1.244 2.488 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.561 -3.391 1.768 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.757 -3.446 3.048 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.075 -4.334 1.436 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.352 -2.658 1.005 1.00 0.00 H new ATOM 0 HE1 MET A 97 -12.148 -5.755 -1.814 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.613 -6.071 -0.146 1.00 0.00 H new ATOM 0 HE3 MET A 97 -13.313 -5.658 -0.472 1.00 0.00 H new ATOM 1520 N ASP A 98 -13.057 -0.371 0.874 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.544 0.343 -0.294 1.00 0.00 C ATOM 1522 C ASP A 98 -13.245 1.834 -0.182 1.00 0.00 C ATOM 1523 O ASP A 98 -13.107 2.529 -1.189 1.00 0.00 O ATOM 1524 CB ASP A 98 -15.048 0.122 -0.468 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.387 -1.320 -0.793 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.465 -2.079 -1.158 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.575 -1.689 -0.683 1.00 0.00 O ATOM 0 H ASP A 98 -13.769 -0.563 1.579 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.026 -0.049 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.564 0.416 0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.418 0.768 -1.265 1.00 0.00 H new ATOM 1532 N ASN A 99 -13.143 2.316 1.050 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.860 3.721 1.300 1.00 0.00 C ATOM 1534 C ASN A 99 -11.398 4.039 1.014 1.00 0.00 C ATOM 1535 O ASN A 99 -11.059 5.152 0.611 1.00 0.00 O ATOM 1536 CB ASN A 99 -13.203 4.088 2.744 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.698 4.108 2.996 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.496 4.155 2.061 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -15.085 4.074 4.266 1.00 0.00 N ATOM 0 H ASN A 99 -13.253 1.752 1.893 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.481 4.314 0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.733 3.373 3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.785 5.068 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -16.078 4.087 4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.389 4.035 5.010 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.541 3.052 1.226 1.00 0.00 N ATOM 1547 CA ILE A 100 -9.109 3.210 0.995 1.00 0.00 C ATOM 1548 C ILE A 100 -8.755 2.928 -0.462 1.00 0.00 C ATOM 1549 O ILE A 100 -7.939 3.629 -1.061 1.00 0.00 O ATOM 1550 CB ILE A 100 -8.293 2.268 1.905 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.582 2.565 3.379 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.805 2.396 1.612 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.994 3.872 3.866 1.00 0.00 C ATOM 0 H ILE A 100 -10.812 2.127 1.560 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.857 4.244 1.232 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.594 1.241 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.661 2.584 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.188 1.751 3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.247 1.724 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.615 2.133 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.486 3.423 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.241 4.012 4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.911 3.850 3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.406 4.696 3.284 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.367 1.891 -1.022 1.00 0.00 N ATOM 1566 CA LYS A 101 -9.114 1.502 -2.407 1.00 0.00 C ATOM 1567 C LYS A 101 -9.261 2.688 -3.356 1.00 0.00 C ATOM 1568 O LYS A 101 -8.459 2.861 -4.273 1.00 0.00 O ATOM 1569 CB LYS A 101 -10.073 0.385 -2.823 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.725 -0.251 -4.158 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.942 -0.895 -4.803 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.525 -1.995 -3.929 1.00 0.00 C ATOM 1573 NZ LYS A 101 -12.933 -1.706 -3.537 1.00 0.00 N ATOM 0 H LYS A 101 -10.044 1.302 -0.538 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.087 1.143 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.075 -0.386 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.085 0.787 -2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.315 0.506 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.949 -1.002 -4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.702 -0.135 -4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.664 -1.309 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.485 -2.944 -4.464 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.915 -2.108 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.105 -2.059 -2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.097 -0.679 -3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.582 -2.177 -4.199 1.00 0.00 H new ATOM 1587 N MET A 102 -10.293 3.497 -3.138 1.00 0.00 N ATOM 1588 CA MET A 102 -10.541 4.657 -3.986 1.00 0.00 C ATOM 1589 C MET A 102 -9.473 5.722 -3.798 1.00 0.00 C ATOM 1590 O MET A 102 -8.949 6.271 -4.767 1.00 0.00 O ATOM 1591 CB MET A 102 -11.924 5.244 -3.695 1.00 0.00 C ATOM 1592 CG MET A 102 -13.069 4.323 -4.081 1.00 0.00 C ATOM 1593 SD MET A 102 -14.685 5.090 -3.851 1.00 0.00 S ATOM 1594 CE MET A 102 -15.770 3.727 -4.268 1.00 0.00 C ATOM 0 H MET A 102 -10.969 3.371 -2.384 1.00 0.00 H new ATOM 0 HA MET A 102 -10.505 4.323 -5.023 1.00 0.00 H new ATOM 0 HB2 MET A 102 -11.996 5.473 -2.632 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.030 6.186 -4.232 1.00 0.00 H new ATOM 0 HG2 MET A 102 -12.957 4.027 -5.124 1.00 0.00 H new ATOM 0 HG3 MET A 102 -13.015 3.413 -3.484 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.808 4.046 -4.173 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.580 3.411 -5.294 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.583 2.893 -3.591 1.00 0.00 H new ATOM 1604 N THR A 103 -9.156 6.006 -2.549 1.00 0.00 N ATOM 1605 CA THR A 103 -8.160 6.996 -2.215 1.00 0.00 C ATOM 1606 C THR A 103 -6.808 6.630 -2.811 1.00 0.00 C ATOM 1607 O THR A 103 -6.112 7.482 -3.365 1.00 0.00 O ATOM 1608 CB THR A 103 -8.065 7.100 -0.701 1.00 0.00 C ATOM 1609 OG1 THR A 103 -9.268 6.671 -0.092 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.792 8.498 -0.221 1.00 0.00 C ATOM 0 H THR A 103 -9.584 5.555 -1.740 1.00 0.00 H new ATOM 0 HA THR A 103 -8.453 7.959 -2.633 1.00 0.00 H new ATOM 0 HB THR A 103 -7.228 6.461 -0.419 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.303 5.692 -0.091 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.736 8.504 0.868 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.846 8.847 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.596 9.158 -0.547 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.445 5.359 -2.702 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.177 4.885 -3.238 1.00 0.00 C ATOM 1620 C LEU A 104 -5.155 5.022 -4.754 1.00 0.00 C ATOM 1621 O LEU A 104 -4.124 5.353 -5.340 1.00 0.00 O ATOM 1622 CB LEU A 104 -4.938 3.427 -2.839 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.822 3.176 -1.335 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.789 1.683 -1.046 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.583 3.855 -0.774 1.00 0.00 C ATOM 0 H LEU A 104 -7.009 4.640 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.378 5.498 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.755 2.821 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.024 3.080 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.698 3.603 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.706 1.522 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.706 1.221 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.931 1.234 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.518 3.665 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.696 3.458 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.646 4.929 -0.949 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.298 4.770 -5.387 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.399 4.872 -6.837 1.00 0.00 C ATOM 1639 C GLN A 105 -6.260 6.318 -7.285 1.00 0.00 C ATOM 1640 O GLN A 105 -5.716 6.600 -8.353 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.730 4.295 -7.326 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.779 2.777 -7.305 1.00 0.00 C ATOM 1643 CD GLN A 105 -9.097 2.229 -7.815 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -10.160 2.794 -7.555 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -9.034 1.121 -8.545 1.00 0.00 N ATOM 0 H GLN A 105 -7.162 4.495 -4.920 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.586 4.293 -7.274 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.536 4.685 -6.704 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.915 4.642 -8.342 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.966 2.383 -7.914 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.614 2.426 -6.286 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.131 0.687 -8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -9.889 0.705 -8.915 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.746 7.230 -6.458 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.666 8.649 -6.766 1.00 0.00 C ATOM 1656 C GLN A 106 -5.218 9.112 -6.754 1.00 0.00 C ATOM 1657 O GLN A 106 -4.801 9.896 -7.607 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.492 9.466 -5.769 1.00 0.00 C ATOM 1659 CG GLN A 106 -8.992 9.276 -5.922 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.503 9.736 -7.274 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.360 10.903 -7.639 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -10.101 8.818 -8.024 1.00 0.00 N ATOM 0 H GLN A 106 -7.199 7.014 -5.570 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.076 8.807 -7.764 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.201 9.189 -4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.254 10.522 -5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.237 8.223 -5.784 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.507 9.829 -5.136 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.197 7.862 -7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.464 9.068 -8.944 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.449 8.607 -5.796 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.041 8.959 -5.697 1.00 0.00 C ATOM 1673 C ILE A 107 -2.318 8.571 -6.983 1.00 0.00 C ATOM 1674 O ILE A 107 -1.515 9.335 -7.516 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.374 8.266 -4.494 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.030 8.731 -3.192 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.879 8.547 -4.474 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.706 7.855 -2.003 1.00 0.00 C ATOM 0 H ILE A 107 -4.776 7.956 -5.082 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.972 10.037 -5.549 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.513 7.189 -4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.711 9.751 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.111 8.757 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.427 8.049 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.426 8.173 -5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.712 9.621 -4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.205 8.246 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.050 6.839 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.628 7.848 -1.839 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.636 7.382 -7.485 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.047 6.886 -8.726 1.00 0.00 C ATOM 1692 C ILE A 108 -2.214 7.908 -9.829 1.00 0.00 C ATOM 1693 O ILE A 108 -1.259 8.298 -10.501 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.724 5.582 -9.190 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -2.963 4.635 -8.015 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -1.889 4.912 -10.265 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.793 4.527 -7.062 1.00 0.00 C ATOM 0 H ILE A 108 -3.300 6.742 -7.051 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.992 6.699 -8.526 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.697 5.833 -9.612 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.839 4.974 -7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.195 3.643 -8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.378 3.992 -10.585 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.787 5.583 -11.117 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.902 4.679 -9.866 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.042 3.836 -6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.919 4.158 -7.599 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.573 5.509 -6.643 1.00 0.00 H new ATOM 1709 N SER A 109 -3.451 8.326 -9.998 1.00 0.00 N ATOM 1710 CA SER A 109 -3.809 9.307 -11.017 1.00 0.00 C ATOM 1711 C SER A 109 -2.981 10.577 -10.873 1.00 0.00 C ATOM 1712 O SER A 109 -2.684 11.255 -11.859 1.00 0.00 O ATOM 1713 CB SER A 109 -5.299 9.642 -10.933 1.00 0.00 C ATOM 1714 OG SER A 109 -6.092 8.473 -11.026 1.00 0.00 O ATOM 0 H SER A 109 -4.239 8.000 -9.438 1.00 0.00 H new ATOM 0 HA SER A 109 -3.596 8.869 -11.992 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.507 10.152 -9.993 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.566 10.330 -11.735 1.00 0.00 H new ATOM 0 HG SER A 109 -7.040 8.715 -10.968 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.611 10.893 -9.642 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.816 12.082 -9.364 1.00 0.00 C ATOM 1722 C ARG A 110 -0.382 11.901 -9.837 1.00 0.00 C ATOM 1723 O ARG A 110 0.270 12.856 -10.262 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.841 12.409 -7.870 1.00 0.00 C ATOM 1725 CG ARG A 110 -3.220 12.784 -7.352 1.00 0.00 C ATOM 1726 CD ARG A 110 -3.164 13.255 -5.909 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.497 13.433 -5.337 1.00 0.00 N ATOM 1728 CZ ARG A 110 -4.748 14.161 -4.252 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -3.761 14.780 -3.616 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -5.990 14.270 -3.801 1.00 0.00 N ATOM 0 H ARG A 110 -2.848 10.342 -8.817 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.256 12.915 -9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.474 11.548 -7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.153 13.231 -7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.643 13.571 -7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.885 11.924 -7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.608 12.531 -5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.619 14.197 -5.857 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.282 12.972 -5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.804 14.699 -3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.960 15.337 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.752 13.796 -4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.183 14.828 -2.969 1.00 0.00 H new ATOM 1744 N TYR A 111 0.101 10.670 -9.766 1.00 0.00 N ATOM 1745 CA TYR A 111 1.459 10.355 -10.191 1.00 0.00 C ATOM 1746 C TYR A 111 1.562 10.372 -11.710 1.00 0.00 C ATOM 1747 O TYR A 111 2.600 10.720 -12.273 1.00 0.00 O ATOM 1748 CB TYR A 111 1.889 8.992 -9.649 1.00 0.00 C ATOM 1749 CG TYR A 111 2.456 9.047 -8.249 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.783 9.396 -8.031 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.664 8.751 -7.147 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.306 9.448 -6.753 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.181 8.801 -5.865 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.500 9.150 -5.674 1.00 0.00 C ATOM 1755 OH TYR A 111 4.018 9.202 -4.400 1.00 0.00 O ATOM 0 H TYR A 111 -0.428 9.870 -9.417 1.00 0.00 H new ATOM 0 HA TYR A 111 2.127 11.116 -9.788 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.031 8.320 -9.658 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.636 8.564 -10.318 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.416 9.630 -8.874 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.629 8.478 -7.293 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.340 9.720 -6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.554 8.568 -5.018 1.00 0.00 H new ATOM 0 HH TYR A 111 3.898 10.103 -4.035 1.00 0.00 H new ATOM 1765 N LYS A 112 0.474 9.991 -12.362 1.00 0.00 N ATOM 1766 CA LYS A 112 0.423 9.958 -13.816 1.00 0.00 C ATOM 1767 C LYS A 112 0.340 11.369 -14.389 1.00 0.00 C ATOM 1768 O LYS A 112 0.898 11.652 -15.449 1.00 0.00 O ATOM 1769 CB LYS A 112 -0.777 9.131 -14.283 1.00 0.00 C ATOM 1770 CG LYS A 112 -0.611 7.638 -14.051 1.00 0.00 C ATOM 1771 CD LYS A 112 -1.907 6.999 -13.579 1.00 0.00 C ATOM 1772 CE LYS A 112 -2.944 6.954 -14.690 1.00 0.00 C ATOM 1773 NZ LYS A 112 -2.362 6.474 -15.973 1.00 0.00 N ATOM 0 H LYS A 112 -0.390 9.699 -11.905 1.00 0.00 H new ATOM 0 HA LYS A 112 1.340 9.493 -14.179 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.670 9.475 -13.761 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.940 9.310 -15.346 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.284 7.160 -14.974 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.170 7.469 -13.310 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.707 5.987 -13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.303 7.560 -12.733 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -3.764 6.299 -14.395 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.367 7.949 -14.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.095 5.983 -16.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -2.004 7.285 -16.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.580 5.818 -15.775 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.358 12.251 -13.679 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.512 13.633 -14.118 1.00 0.00 C ATOM 1789 C ASP A 113 0.844 14.325 -14.221 1.00 0.00 C ATOM 1790 O ASP A 113 1.086 15.102 -15.144 1.00 0.00 O ATOM 1791 CB ASP A 113 -1.416 14.399 -13.150 1.00 0.00 C ATOM 1792 CG ASP A 113 -1.763 15.785 -13.657 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -2.716 15.903 -14.457 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -1.083 16.752 -13.256 1.00 0.00 O ATOM 0 H ASP A 113 -0.825 12.033 -12.799 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.972 13.626 -15.106 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.334 13.833 -12.990 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.920 14.482 -12.183 1.00 0.00 H new ATOM 1799 N ALA A 114 1.723 14.038 -13.267 1.00 0.00 N ATOM 1800 CA ALA A 114 3.054 14.632 -13.250 1.00 0.00 C ATOM 1801 C ALA A 114 3.849 14.232 -14.488 1.00 0.00 C ATOM 1802 O ALA A 114 4.657 15.010 -14.997 1.00 0.00 O ATOM 1803 CB ALA A 114 3.798 14.222 -11.988 1.00 0.00 C ATOM 0 H ALA A 114 1.537 13.397 -12.495 1.00 0.00 H new ATOM 0 HA ALA A 114 2.942 15.716 -13.257 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.791 14.673 -11.988 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.245 14.563 -11.113 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.892 13.137 -11.958 1.00 0.00 H new ATOM 1809 N ASP A 115 3.615 13.016 -14.968 1.00 0.00 N ATOM 1810 CA ASP A 115 4.310 12.513 -16.147 1.00 0.00 C ATOM 1811 C ASP A 115 3.320 11.958 -17.167 1.00 0.00 C ATOM 1812 O ASP A 115 2.838 10.824 -16.965 1.00 0.00 O ATOM 1813 CB ASP A 115 5.313 11.428 -15.750 1.00 0.00 C ATOM 1814 CG ASP A 115 6.439 11.967 -14.888 1.00 0.00 C ATOM 1815 OD1 ASP A 115 6.626 13.201 -14.860 1.00 0.00 O ATOM 1816 OD2 ASP A 115 7.130 11.154 -14.240 1.00 0.00 O ATOM 1817 OXT ASP A 115 3.036 12.662 -18.158 1.00 0.00 O ATOM 0 H ASP A 115 2.949 12.360 -14.559 1.00 0.00 H new ATOM 0 HA ASP A 115 4.847 13.345 -16.604 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.793 10.637 -15.210 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.732 10.978 -16.650 1.00 0.00 H new TER 1822 ASP A 115