USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1035 hydrogens (27 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 11 TYR OH : rot 45:sc= 0.056 USER MOD Set 1.2: A 106 THR OG1 : rot 89:sc= 1.26 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.59 K(o=2.8,f=-3) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 172:sc= 1.18 (180deg=0) USER MOD Set 3.1: A 42 CYS SG : rot 5:sc= 0.0692 USER MOD Set 3.2: A 62 CYS SG : rot 159:sc= -0.0381 USER MOD Single : A 3 GLN : amide:sc= 0.905 K(o=0.91,f=-0.15) USER MOD Single : A 6 SER OG : rot 180:sc= -0.451 USER MOD Single : A 7 GLN : amide:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.491 K(o=0.49,f=-2.5!) USER MOD Single : A 14 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ -115:sc= -0.0144 (180deg=-0.628) USER MOD Single : A 17 GLN : amide:sc= -0.0746 K(o=-0.075,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.0304 (180deg=-0.369) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00823) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= 0.554 (180deg=0.323) USER MOD Single : A 41 THR OG1 : rot 81:sc= 1 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 50 THR OG1 : rot 67:sc= 0.484 USER MOD Single : A 54 LYS NZ :NH3+ -151:sc= 0.917 (180deg=0.0942) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.95 K(o=-2,f=-4!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= 1.21 (180deg=0.736) USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= 0.683 (180deg=0.381) USER MOD Single : A 96 ASN : amide:sc= 0.661 K(o=0.66,f=0) USER MOD Single : A 98 GLN : amide:sc= 0.00415 K(o=0.0041,f=-2.4!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc=-0.00154 X(o=-0.0015,f=-0.44) USER MOD Single : A 111 LYS NZ :NH3+ -141:sc= 1.22 (180deg=0.249) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.307 K(o=0.31,f=-2.6!) USER MOD Single : A 114 SER OG : rot -133:sc= 1.24 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= 0.456 K(o=0.46,f=-2.4!) USER MOD Single : A 121 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.039) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 123 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.1!) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HE2:sc= -0.569 K(o=-0.57,f=-3!) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.473 0.639 1.158 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.700 0.927 1.028 1.00 25.00 O HETATM 3 C2 MYR A 1 1.229 -0.262 0.191 1.00 25.00 C HETATM 4 C3 MYR A 1 0.408 -1.515 -0.259 1.00 25.00 C HETATM 5 C4 MYR A 1 0.205 -2.584 0.867 1.00 25.00 C HETATM 6 C5 MYR A 1 1.475 -3.467 1.114 1.00 25.00 C HETATM 7 C6 MYR A 1 1.173 -4.889 1.692 1.00 25.00 C HETATM 8 C7 MYR A 1 0.915 -4.926 3.232 1.00 25.00 C HETATM 9 C8 MYR A 1 -0.586 -4.738 3.598 1.00 25.00 C HETATM 10 C9 MYR A 1 -0.853 -4.899 5.121 1.00 25.00 C HETATM 11 C10 MYR A 1 -1.225 -6.359 5.527 1.00 25.00 C HETATM 12 C11 MYR A 1 -1.779 -6.481 6.981 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.199 -5.849 7.138 1.00 25.00 C HETATM 14 C13 MYR A 1 -3.858 -6.209 8.491 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.230 -5.520 8.622 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.101 -4.439 8.567 1.00 25.00 H new HETATM 0 H142 MYR A 1 -5.881 -5.849 7.812 1.00 25.00 H new HETATM 0 H141 MYR A 1 -5.680 -5.784 9.579 1.00 25.00 H new HETATM 0 H132 MYR A 1 -3.978 -7.290 8.568 1.00 25.00 H new HETATM 0 H131 MYR A 1 -3.210 -5.901 9.311 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.123 -4.765 7.051 1.00 25.00 H new HETATM 0 H121 MYR A 1 -3.838 -6.190 6.323 1.00 25.00 H new HETATM 0 H112 MYR A 1 -1.820 -7.533 7.263 1.00 25.00 H new HETATM 0 H111 MYR A 1 -1.090 -5.993 7.670 1.00 25.00 H new HETATM 0 H102 MYR A 1 -1.970 -6.742 4.830 1.00 25.00 H new HETATM 0 H101 MYR A 1 -0.342 -6.991 5.429 1.00 25.00 H new HETATM 0 H92 MYR A 1 0.034 -4.589 5.674 1.00 25.00 H new HETATM 0 H91 MYR A 1 -1.661 -4.230 5.415 1.00 25.00 H new HETATM 0 H82 MYR A 1 -0.913 -3.749 3.278 1.00 25.00 H new HETATM 0 H81 MYR A 1 -1.184 -5.465 3.049 1.00 25.00 H new HETATM 0 H72 MYR A 1 1.265 -5.878 3.631 1.00 25.00 H new HETATM 0 H71 MYR A 1 1.502 -4.143 3.713 1.00 25.00 H new HETATM 0 H62 MYR A 1 0.300 -5.296 1.181 1.00 25.00 H new HETATM 0 H61 MYR A 1 2.012 -5.546 1.462 1.00 25.00 H new HETATM 0 H52 MYR A 1 2.014 -3.578 0.173 1.00 25.00 H new HETATM 0 H51 MYR A 1 2.139 -2.943 1.801 1.00 25.00 H new HETATM 0 H42 MYR A 1 -0.065 -2.079 1.795 1.00 25.00 H new HETATM 0 H41 MYR A 1 -0.632 -3.229 0.600 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.569 -1.187 -0.615 1.00 25.00 H new HETATM 0 H31 MYR A 1 0.914 -1.984 -1.103 1.00 25.00 H new HETATM 0 H22 MYR A 1 1.508 0.316 -0.690 1.00 25.00 H new HETATM 0 H21 MYR A 1 2.155 -0.593 0.662 1.00 25.00 H new ATOM 43 N GLY A 2 1.217 1.145 2.157 1.00 25.00 N ATOM 44 CA GLY A 2 0.708 2.039 3.189 1.00 25.00 C ATOM 45 C GLY A 2 0.132 3.318 2.618 1.00 25.00 C ATOM 46 O GLY A 2 -0.952 3.751 3.017 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.061 1.523 3.764 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.513 2.285 3.881 1.00 25.00 H new ATOM 50 N GLN A 3 0.817 3.922 1.660 1.00 25.00 N ATOM 51 CA GLN A 3 0.301 5.142 1.042 1.00 25.00 C ATOM 52 C GLN A 3 -0.974 4.841 0.258 1.00 25.00 C ATOM 53 O GLN A 3 -1.922 5.612 0.303 1.00 25.00 O ATOM 54 CB GLN A 3 1.342 5.792 0.124 1.00 25.00 C ATOM 55 CG GLN A 3 2.616 6.227 0.847 1.00 25.00 C ATOM 56 CD GLN A 3 2.341 7.116 2.049 1.00 25.00 C ATOM 57 OE1 GLN A 3 1.755 8.184 1.934 1.00 25.00 O ATOM 58 NE2 GLN A 3 2.758 6.677 3.206 1.00 25.00 N ATOM 0 H GLN A 3 1.714 3.599 1.296 1.00 25.00 H new ATOM 0 HA GLN A 3 0.072 5.847 1.842 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.606 5.089 -0.666 1.00 25.00 H new ATOM 0 HB3 GLN A 3 0.895 6.661 -0.359 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.162 5.342 1.174 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.261 6.760 0.148 1.00 25.00 H new ATOM 0 HE21 GLN A 3 3.243 5.782 3.267 1.00 25.00 H new ATOM 0 HE22 GLN A 3 2.598 7.229 4.049 1.00 25.00 H new ATOM 67 N GLU A 4 -1.036 3.692 -0.401 1.00 25.00 N ATOM 68 CA GLU A 4 -2.245 3.320 -1.137 1.00 25.00 C ATOM 69 C GLU A 4 -3.423 3.145 -0.178 1.00 25.00 C ATOM 70 O GLU A 4 -4.546 3.577 -0.460 1.00 25.00 O ATOM 71 CB GLU A 4 -2.037 2.032 -1.936 1.00 25.00 C ATOM 72 CG GLU A 4 -3.314 1.612 -2.620 1.00 25.00 C ATOM 73 CD GLU A 4 -3.164 0.452 -3.574 1.00 25.00 C ATOM 74 OE1 GLU A 4 -2.092 -0.187 -3.621 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.168 0.165 -4.265 1.00 25.00 O ATOM 0 H GLU A 4 -0.280 3.009 -0.444 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.465 4.127 -1.836 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.254 2.183 -2.679 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.697 1.238 -1.271 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -4.048 1.347 -1.859 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.715 2.465 -3.167 1.00 25.00 H new ATOM 82 N LEU A 5 -3.168 2.544 0.971 1.00 25.00 N ATOM 83 CA LEU A 5 -4.204 2.371 1.988 1.00 25.00 C ATOM 84 C LEU A 5 -4.670 3.741 2.499 1.00 25.00 C ATOM 85 O LEU A 5 -5.863 3.960 2.673 1.00 25.00 O ATOM 86 CB LEU A 5 -3.683 1.498 3.137 1.00 25.00 C ATOM 87 CG LEU A 5 -3.443 0.014 2.785 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.737 -0.691 3.945 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.746 -0.721 2.453 1.00 25.00 C ATOM 0 H LEU A 5 -2.256 2.166 1.228 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.060 1.863 1.544 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.747 1.924 3.499 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.395 1.548 3.960 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.814 -0.010 1.895 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.572 -1.737 3.688 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.778 -0.208 4.135 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.357 -0.630 4.839 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.526 -1.761 2.212 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.415 -0.681 3.312 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.225 -0.244 1.598 1.00 25.00 H new ATOM 101 N SER A 6 -3.746 4.685 2.637 1.00 25.00 N ATOM 102 CA SER A 6 -4.092 6.078 2.972 1.00 25.00 C ATOM 103 C SER A 6 -4.871 6.806 1.864 1.00 25.00 C ATOM 104 O SER A 6 -5.493 7.834 2.119 1.00 25.00 O ATOM 105 CB SER A 6 -2.826 6.898 3.240 1.00 25.00 C ATOM 106 OG SER A 6 -2.061 6.343 4.287 1.00 25.00 O ATOM 0 H SER A 6 -2.746 4.519 2.523 1.00 25.00 H new ATOM 0 HA SER A 6 -4.726 6.005 3.856 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.223 6.945 2.333 1.00 25.00 H new ATOM 0 HB3 SER A 6 -3.101 7.922 3.493 1.00 25.00 H new ATOM 0 HG SER A 6 -1.260 6.889 4.432 1.00 25.00 H new ATOM 112 N GLN A 7 -4.815 6.304 0.638 1.00 25.00 N ATOM 113 CA GLN A 7 -5.468 6.956 -0.502 1.00 25.00 C ATOM 114 C GLN A 7 -6.860 6.369 -0.676 1.00 25.00 C ATOM 115 O GLN A 7 -7.747 6.988 -1.267 1.00 25.00 O ATOM 116 CB GLN A 7 -4.645 6.744 -1.783 1.00 25.00 C ATOM 117 CG GLN A 7 -3.364 7.592 -1.845 1.00 25.00 C ATOM 118 CD GLN A 7 -2.257 6.946 -2.674 1.00 25.00 C ATOM 119 OE1 GLN A 7 -1.101 6.967 -2.295 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.606 6.388 -3.801 1.00 25.00 N ATOM 0 H GLN A 7 -4.323 5.443 0.401 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.540 8.027 -0.313 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.376 5.691 -1.861 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.267 6.979 -2.647 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.602 8.569 -2.266 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -2.999 7.762 -0.832 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -3.585 6.388 -4.089 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.900 5.952 -4.394 1.00 25.00 H new ATOM 129 N HIS A 8 -7.050 5.177 -0.131 1.00 25.00 N ATOM 130 CA HIS A 8 -8.336 4.493 -0.161 1.00 25.00 C ATOM 131 C HIS A 8 -9.135 4.939 1.062 1.00 25.00 C ATOM 132 O HIS A 8 -9.046 4.340 2.124 1.00 25.00 O ATOM 133 CB HIS A 8 -8.112 2.978 -0.143 1.00 25.00 C ATOM 134 CG HIS A 8 -7.854 2.389 -1.499 1.00 25.00 C ATOM 135 ND1 HIS A 8 -6.590 2.331 -2.089 1.00 25.00 N ATOM 136 CD2 HIS A 8 -8.684 1.809 -2.412 1.00 25.00 C ATOM 137 CE1 HIS A 8 -6.695 1.744 -3.277 1.00 25.00 C ATOM 138 NE2 HIS A 8 -7.943 1.426 -3.489 1.00 25.00 N ATOM 0 H HIS A 8 -6.315 4.654 0.346 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.887 4.741 -1.068 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.267 2.752 0.508 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -8.987 2.496 0.292 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -5.726 2.682 -1.676 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -9.750 1.676 -2.300 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -5.878 1.560 -3.958 1.00 25.00 H new ATOM 146 N GLU A 9 -9.902 6.009 0.912 1.00 25.00 N ATOM 147 CA GLU A 9 -10.620 6.622 2.038 1.00 25.00 C ATOM 148 C GLU A 9 -11.576 5.675 2.790 1.00 25.00 C ATOM 149 O GLU A 9 -11.733 5.788 4.001 1.00 25.00 O ATOM 150 CB GLU A 9 -11.362 7.867 1.547 1.00 25.00 C ATOM 151 CG GLU A 9 -11.828 8.785 2.672 1.00 25.00 C ATOM 152 CD GLU A 9 -11.889 10.244 2.240 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.334 10.523 1.106 1.00 25.00 O ATOM 154 OE2 GLU A 9 -11.431 11.111 3.022 1.00 25.00 O ATOM 0 H GLU A 9 -10.048 6.479 0.019 1.00 25.00 H new ATOM 0 HA GLU A 9 -9.862 6.890 2.775 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -10.709 8.428 0.878 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.227 7.556 0.961 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -12.814 8.468 3.012 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -11.151 8.688 3.521 1.00 25.00 H new ATOM 161 N ARG A 10 -12.126 4.684 2.097 1.00 25.00 N ATOM 162 CA ARG A 10 -12.953 3.646 2.742 1.00 25.00 C ATOM 163 C ARG A 10 -12.160 2.948 3.853 1.00 25.00 C ATOM 164 O ARG A 10 -12.647 2.755 4.966 1.00 25.00 O ATOM 165 CB ARG A 10 -13.382 2.613 1.687 1.00 25.00 C ATOM 166 CG ARG A 10 -14.250 1.459 2.210 1.00 25.00 C ATOM 167 CD ARG A 10 -14.215 0.299 1.214 1.00 25.00 C ATOM 168 NE ARG A 10 -14.846 -0.926 1.739 1.00 25.00 N ATOM 169 CZ ARG A 10 -14.730 -2.134 1.193 1.00 25.00 C ATOM 170 NH1 ARG A 10 -14.039 -2.347 0.106 1.00 25.00 N ATOM 171 NH2 ARG A 10 -15.308 -3.155 1.755 1.00 25.00 N ATOM 0 H ARG A 10 -12.020 4.569 1.089 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.834 4.113 3.182 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.930 3.130 0.899 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -12.486 2.193 1.229 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -13.885 1.128 3.182 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.276 1.798 2.353 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -14.722 0.599 0.297 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -13.179 0.084 0.950 1.00 25.00 H new ATOM 0 HE ARG A 10 -15.413 -0.841 2.583 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -13.564 -1.572 -0.356 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -13.975 -3.288 -0.281 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -15.848 -3.028 2.611 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -15.221 -4.083 1.340 1.00 25.00 H new ATOM 185 N TYR A 11 -10.924 2.592 3.542 1.00 25.00 N ATOM 186 CA TYR A 11 -10.052 1.924 4.498 1.00 25.00 C ATOM 187 C TYR A 11 -9.649 2.887 5.599 1.00 25.00 C ATOM 188 O TYR A 11 -9.667 2.538 6.776 1.00 25.00 O ATOM 189 CB TYR A 11 -8.803 1.415 3.785 1.00 25.00 C ATOM 190 CG TYR A 11 -7.940 0.545 4.656 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.321 -0.775 4.950 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.732 1.031 5.192 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.509 -1.606 5.757 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.910 0.199 6.003 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.308 -1.115 6.272 1.00 25.00 C ATOM 196 OH TYR A 11 -5.521 -1.921 7.054 1.00 25.00 O ATOM 0 H TYR A 11 -10.499 2.755 2.629 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.589 1.084 4.938 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.101 0.852 2.901 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.217 2.266 3.438 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.248 -1.161 4.554 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.426 2.046 4.985 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.818 -2.618 5.974 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.984 0.580 6.408 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.454 -2.809 6.645 1.00 25.00 H new ATOM 206 N VAL A 12 -9.316 4.110 5.210 1.00 25.00 N ATOM 207 CA VAL A 12 -8.917 5.152 6.158 1.00 25.00 C ATOM 208 C VAL A 12 -9.981 5.341 7.223 1.00 25.00 C ATOM 209 O VAL A 12 -9.657 5.485 8.397 1.00 25.00 O ATOM 210 CB VAL A 12 -8.686 6.517 5.433 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.501 7.677 6.435 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.471 6.429 4.522 1.00 25.00 C ATOM 0 H VAL A 12 -9.313 4.411 4.235 1.00 25.00 H new ATOM 0 HA VAL A 12 -7.984 4.829 6.620 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.576 6.725 4.839 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.343 8.607 5.889 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.392 7.767 7.056 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.637 7.477 7.068 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.321 7.386 4.023 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.589 6.186 5.114 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.632 5.651 3.775 1.00 25.00 H new ATOM 222 N GLU A 13 -11.245 5.356 6.829 1.00 25.00 N ATOM 223 CA GLU A 13 -12.322 5.595 7.774 1.00 25.00 C ATOM 224 C GLU A 13 -12.387 4.540 8.867 1.00 25.00 C ATOM 225 O GLU A 13 -12.502 4.870 10.050 1.00 25.00 O ATOM 226 CB GLU A 13 -13.659 5.693 7.048 1.00 25.00 C ATOM 227 CG GLU A 13 -14.765 6.164 7.960 1.00 25.00 C ATOM 228 CD GLU A 13 -15.940 6.717 7.194 1.00 25.00 C ATOM 229 OE1 GLU A 13 -16.707 5.930 6.609 1.00 25.00 O ATOM 230 OE2 GLU A 13 -16.083 7.960 7.174 1.00 25.00 O ATOM 0 H GLU A 13 -11.548 5.206 5.867 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.109 6.546 8.262 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.565 6.380 6.207 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -13.920 4.718 6.636 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -15.098 5.334 8.583 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -14.378 6.931 8.631 1.00 25.00 H new ATOM 237 N GLN A 14 -12.254 3.279 8.493 1.00 25.00 N ATOM 238 CA GLN A 14 -12.267 2.206 9.475 1.00 25.00 C ATOM 239 C GLN A 14 -10.990 2.305 10.324 1.00 25.00 C ATOM 240 O GLN A 14 -11.023 2.154 11.553 1.00 25.00 O ATOM 241 CB GLN A 14 -12.431 0.853 8.744 1.00 25.00 C ATOM 242 CG GLN A 14 -11.240 -0.124 8.780 1.00 25.00 C ATOM 243 CD GLN A 14 -10.975 -0.684 10.166 1.00 25.00 C ATOM 244 OE1 GLN A 14 -9.859 -0.651 10.662 1.00 25.00 O ATOM 245 NE2 GLN A 14 -12.002 -1.189 10.794 1.00 25.00 N ATOM 0 H GLN A 14 -12.137 2.974 7.527 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.111 2.290 10.160 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -13.296 0.344 9.168 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -12.664 1.061 7.700 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -11.431 -0.947 8.092 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -10.346 0.388 8.424 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -12.919 -1.199 10.347 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -11.888 -1.574 11.732 1.00 25.00 H new ATOM 254 N LEU A 15 -9.878 2.619 9.673 1.00 25.00 N ATOM 255 CA LEU A 15 -8.581 2.702 10.335 1.00 25.00 C ATOM 256 C LEU A 15 -8.511 3.820 11.369 1.00 25.00 C ATOM 257 O LEU A 15 -7.696 3.750 12.286 1.00 25.00 O ATOM 258 CB LEU A 15 -7.457 2.845 9.308 1.00 25.00 C ATOM 259 CG LEU A 15 -6.137 2.159 9.701 1.00 25.00 C ATOM 260 CD1 LEU A 15 -6.268 0.631 9.662 1.00 25.00 C ATOM 261 CD2 LEU A 15 -5.027 2.607 8.755 1.00 25.00 C ATOM 0 H LEU A 15 -9.848 2.823 8.674 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.449 1.766 10.878 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.796 2.432 8.358 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.265 3.905 9.145 1.00 25.00 H new ATOM 0 HG LEU A 15 -5.892 2.450 10.723 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -5.318 0.177 9.945 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -7.043 0.314 10.360 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -6.536 0.314 8.654 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -4.092 2.120 9.034 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.287 2.333 7.733 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -4.907 3.688 8.821 1.00 25.00 H new ATOM 273 N LYS A 16 -9.353 4.845 11.243 1.00 25.00 N ATOM 274 CA LYS A 16 -9.396 5.928 12.246 1.00 25.00 C ATOM 275 C LYS A 16 -9.540 5.333 13.643 1.00 25.00 C ATOM 276 O LYS A 16 -8.968 5.849 14.603 1.00 25.00 O ATOM 277 CB LYS A 16 -10.579 6.893 12.021 1.00 25.00 C ATOM 278 CG LYS A 16 -10.607 7.639 10.683 1.00 25.00 C ATOM 279 CD LYS A 16 -11.720 8.702 10.681 1.00 25.00 C ATOM 280 CE LYS A 16 -12.172 9.113 9.260 1.00 25.00 C ATOM 281 NZ LYS A 16 -11.075 9.607 8.365 1.00 25.00 N ATOM 0 H LYS A 16 -10.009 4.955 10.470 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.465 6.486 12.144 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.505 6.326 12.115 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -10.575 7.631 12.823 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.642 8.114 10.505 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.770 6.932 9.869 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.579 8.319 11.231 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -11.369 9.586 11.213 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -12.650 8.256 8.785 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -12.929 9.893 9.347 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -11.237 10.609 8.138 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -10.160 9.505 8.849 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -11.066 9.050 7.487 1.00 25.00 H new ATOM 295 N GLN A 17 -10.293 4.247 13.754 1.00 25.00 N ATOM 296 CA GLN A 17 -10.506 3.603 15.045 1.00 25.00 C ATOM 297 C GLN A 17 -9.301 2.763 15.465 1.00 25.00 C ATOM 298 O GLN A 17 -8.896 2.796 16.617 1.00 25.00 O ATOM 299 CB GLN A 17 -11.756 2.714 15.003 1.00 25.00 C ATOM 300 CG GLN A 17 -13.027 3.403 14.465 1.00 25.00 C ATOM 301 CD GLN A 17 -13.437 4.650 15.242 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.005 4.889 16.359 1.00 25.00 O ATOM 303 NE2 GLN A 17 -14.275 5.452 14.636 1.00 25.00 N ATOM 0 H GLN A 17 -10.765 3.795 12.971 1.00 25.00 H new ATOM 0 HA GLN A 17 -10.645 4.396 15.780 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -11.543 1.843 14.384 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -11.957 2.348 16.010 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -12.866 3.675 13.422 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.850 2.689 14.485 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -14.616 5.222 13.703 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -14.587 6.307 15.097 1.00 25.00 H new ATOM 312 N ALA A 18 -8.713 2.031 14.528 1.00 25.00 N ATOM 313 CA ALA A 18 -7.567 1.172 14.835 1.00 25.00 C ATOM 314 C ALA A 18 -6.333 2.000 15.252 1.00 25.00 C ATOM 315 O ALA A 18 -5.549 1.583 16.101 1.00 25.00 O ATOM 316 CB ALA A 18 -7.249 0.283 13.633 1.00 25.00 C ATOM 0 H ALA A 18 -9.006 2.012 13.551 1.00 25.00 H new ATOM 0 HA ALA A 18 -7.830 0.540 15.683 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -6.396 -0.354 13.867 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.114 -0.339 13.402 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.011 0.907 12.772 1.00 25.00 H new ATOM 322 N LEU A 19 -6.206 3.200 14.702 1.00 25.00 N ATOM 323 CA LEU A 19 -5.138 4.124 15.107 1.00 25.00 C ATOM 324 C LEU A 19 -5.304 4.476 16.592 1.00 25.00 C ATOM 325 O LEU A 19 -4.326 4.642 17.316 1.00 25.00 O ATOM 326 CB LEU A 19 -5.198 5.420 14.267 1.00 25.00 C ATOM 327 CG LEU A 19 -4.205 5.621 13.094 1.00 25.00 C ATOM 328 CD1 LEU A 19 -2.767 5.739 13.583 1.00 25.00 C ATOM 329 CD2 LEU A 19 -4.312 4.539 12.033 1.00 25.00 C ATOM 0 H LEU A 19 -6.824 3.562 13.976 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.175 3.640 14.944 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.205 5.497 13.858 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.068 6.258 14.952 1.00 25.00 H new ATOM 0 HG LEU A 19 -4.492 6.563 12.627 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -2.103 5.879 12.730 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -2.680 6.593 14.254 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -2.488 4.829 14.115 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -3.592 4.736 11.239 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.102 3.568 12.481 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -5.319 4.536 11.617 1.00 25.00 H new ATOM 341 N LYS A 20 -6.550 4.584 17.041 1.00 25.00 N ATOM 342 CA LYS A 20 -6.851 4.937 18.435 1.00 25.00 C ATOM 343 C LYS A 20 -6.701 3.780 19.414 1.00 25.00 C ATOM 344 O LYS A 20 -6.288 3.996 20.549 1.00 25.00 O ATOM 345 CB LYS A 20 -8.292 5.448 18.551 1.00 25.00 C ATOM 346 CG LYS A 20 -8.428 6.952 18.713 1.00 25.00 C ATOM 347 CD LYS A 20 -8.112 7.702 17.420 1.00 25.00 C ATOM 348 CE LYS A 20 -8.344 9.200 17.580 1.00 25.00 C ATOM 349 NZ LYS A 20 -9.791 9.496 17.891 1.00 25.00 N ATOM 0 H LYS A 20 -7.375 4.432 16.461 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.121 5.702 18.699 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -8.843 5.142 17.662 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -8.767 4.961 19.403 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -9.443 7.191 19.031 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -7.758 7.293 19.502 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -7.076 7.520 17.135 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -8.736 7.319 16.613 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -7.711 9.586 18.379 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -8.053 9.716 16.665 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -9.986 10.502 17.713 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -10.403 8.913 17.285 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -9.983 9.278 18.889 1.00 25.00 H new ATOM 363 N THR A 21 -7.052 2.570 19.002 1.00 25.00 N ATOM 364 CA THR A 21 -7.041 1.413 19.914 1.00 25.00 C ATOM 365 C THR A 21 -5.641 1.030 20.383 1.00 25.00 C ATOM 366 O THR A 21 -5.491 0.285 21.340 1.00 25.00 O ATOM 367 CB THR A 21 -7.692 0.171 19.264 1.00 25.00 C ATOM 368 OG1 THR A 21 -7.126 -0.042 17.971 1.00 25.00 O ATOM 369 CG2 THR A 21 -9.193 0.361 19.099 1.00 25.00 C ATOM 0 H THR A 21 -7.348 2.355 18.050 1.00 25.00 H new ATOM 0 HA THR A 21 -7.620 1.732 20.781 1.00 25.00 H new ATOM 0 HB THR A 21 -7.507 -0.683 19.915 1.00 25.00 H new ATOM 0 HG1 THR A 21 -7.538 -0.830 17.560 1.00 25.00 H new ATOM 0 HG21 THR A 21 -9.624 -0.528 18.639 1.00 25.00 H new ATOM 0 HG22 THR A 21 -9.649 0.522 20.076 1.00 25.00 H new ATOM 0 HG23 THR A 21 -9.383 1.226 18.463 1.00 25.00 H new ATOM 377 N ARG A 22 -4.614 1.590 19.759 1.00 25.00 N ATOM 378 CA ARG A 22 -3.238 1.376 20.216 1.00 25.00 C ATOM 379 C ARG A 22 -2.999 2.065 21.565 1.00 25.00 C ATOM 380 O ARG A 22 -2.065 1.728 22.282 1.00 25.00 O ATOM 381 CB ARG A 22 -2.255 1.915 19.173 1.00 25.00 C ATOM 382 CG ARG A 22 -1.156 0.927 18.768 1.00 25.00 C ATOM 383 CD ARG A 22 -0.210 0.537 19.920 1.00 25.00 C ATOM 384 NE ARG A 22 -0.348 -0.886 20.294 1.00 25.00 N ATOM 385 CZ ARG A 22 -0.149 -1.396 21.507 1.00 25.00 C ATOM 386 NH1 ARG A 22 0.149 -0.648 22.539 1.00 25.00 N ATOM 387 NH2 ARG A 22 -0.247 -2.687 21.689 1.00 25.00 N ATOM 0 H ARG A 22 -4.701 2.192 18.940 1.00 25.00 H new ATOM 0 HA ARG A 22 -3.079 0.305 20.344 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -2.812 2.205 18.282 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -1.788 2.819 19.565 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -1.621 0.024 18.372 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -0.568 1.364 17.961 1.00 25.00 H new ATOM 0 HD2 ARG A 22 0.820 0.736 19.626 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -0.420 1.162 20.788 1.00 25.00 H new ATOM 0 HE ARG A 22 -0.620 -1.536 19.556 1.00 25.00 H new ATOM 0 HH11 ARG A 22 0.236 0.362 22.429 1.00 25.00 H new ATOM 0 HH12 ARG A 22 0.294 -1.075 23.454 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -0.475 -3.297 20.904 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -0.096 -3.084 22.616 1.00 25.00 H new ATOM 401 N GLY A 23 -3.828 3.045 21.893 1.00 25.00 N ATOM 402 CA GLY A 23 -3.706 3.737 23.169 1.00 25.00 C ATOM 403 C GLY A 23 -2.544 4.711 23.233 1.00 25.00 C ATOM 404 O GLY A 23 -2.177 5.185 24.303 1.00 25.00 O ATOM 0 H GLY A 23 -4.587 3.378 21.299 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -4.631 4.278 23.368 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -3.592 2.998 23.962 1.00 25.00 H new ATOM 408 N VAL A 24 -1.962 5.026 22.086 1.00 25.00 N ATOM 409 CA VAL A 24 -0.831 5.948 22.021 1.00 25.00 C ATOM 410 C VAL A 24 -1.111 6.904 20.867 1.00 25.00 C ATOM 411 O VAL A 24 -1.891 6.592 19.969 1.00 25.00 O ATOM 412 CB VAL A 24 0.533 5.172 21.870 1.00 25.00 C ATOM 413 CG1 VAL A 24 0.630 4.455 20.526 1.00 25.00 C ATOM 414 CG2 VAL A 24 1.741 6.109 22.064 1.00 25.00 C ATOM 0 H VAL A 24 -2.254 4.656 21.181 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.725 6.516 22.945 1.00 25.00 H new ATOM 0 HB VAL A 24 0.554 4.419 22.657 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.584 3.932 20.461 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -0.185 3.736 20.438 1.00 25.00 H new ATOM 0 HG13 VAL A 24 0.560 5.184 19.719 1.00 25.00 H new ATOM 0 HG21 VAL A 24 2.664 5.540 21.953 1.00 25.00 H new ATOM 0 HG22 VAL A 24 1.711 6.901 21.316 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.704 6.549 23.060 1.00 25.00 H new ATOM 424 N LYS A 25 -0.531 8.094 20.924 1.00 25.00 N ATOM 425 CA LYS A 25 -0.780 9.125 19.920 1.00 25.00 C ATOM 426 C LYS A 25 0.064 8.890 18.659 1.00 25.00 C ATOM 427 O LYS A 25 1.113 9.494 18.477 1.00 25.00 O ATOM 428 CB LYS A 25 -0.508 10.523 20.523 1.00 25.00 C ATOM 429 CG LYS A 25 0.833 10.663 21.302 1.00 25.00 C ATOM 430 CD LYS A 25 0.662 10.636 22.832 1.00 25.00 C ATOM 431 CE LYS A 25 0.152 11.974 23.378 1.00 25.00 C ATOM 432 NZ LYS A 25 0.101 11.963 24.886 1.00 25.00 N ATOM 0 H LYS A 25 0.119 8.373 21.658 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.827 9.073 19.621 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.519 11.256 19.717 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.328 10.776 21.195 1.00 25.00 H new ATOM 0 HG2 LYS A 25 1.502 9.855 21.005 1.00 25.00 H new ATOM 0 HG3 LYS A 25 1.315 11.598 21.015 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -0.036 9.844 23.105 1.00 25.00 H new ATOM 0 HD3 LYS A 25 1.617 10.394 23.299 1.00 25.00 H new ATOM 0 HE2 LYS A 25 0.803 12.780 23.039 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -0.842 12.178 22.979 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -0.248 12.881 25.228 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -0.539 11.208 25.206 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 1.055 11.792 25.264 1.00 25.00 H new ATOM 446 N VAL A 26 -0.438 8.048 17.770 1.00 25.00 N ATOM 447 CA VAL A 26 0.225 7.782 16.490 1.00 25.00 C ATOM 448 C VAL A 26 -0.547 8.454 15.363 1.00 25.00 C ATOM 449 O VAL A 26 -1.740 8.745 15.485 1.00 25.00 O ATOM 450 CB VAL A 26 0.360 6.255 16.198 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.642 5.715 16.829 1.00 25.00 C ATOM 452 CG2 VAL A 26 -0.859 5.469 16.725 1.00 25.00 C ATOM 0 H VAL A 26 -1.307 7.531 17.907 1.00 25.00 H new ATOM 0 HA VAL A 26 1.233 8.193 16.553 1.00 25.00 H new ATOM 0 HB VAL A 26 0.403 6.122 15.117 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.729 4.649 16.621 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.502 6.238 16.410 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.611 5.873 17.907 1.00 25.00 H new ATOM 0 HG21 VAL A 26 -0.732 4.409 16.505 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.943 5.608 17.803 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -1.765 5.834 16.240 1.00 25.00 H new ATOM 462 N LYS A 27 0.157 8.746 14.281 1.00 25.00 N ATOM 463 CA LYS A 27 -0.424 9.427 13.122 1.00 25.00 C ATOM 464 C LYS A 27 -0.627 8.392 12.024 1.00 25.00 C ATOM 465 O LYS A 27 0.076 7.404 11.988 1.00 25.00 O ATOM 466 CB LYS A 27 0.549 10.527 12.664 1.00 25.00 C ATOM 467 CG LYS A 27 -0.047 11.599 11.753 1.00 25.00 C ATOM 468 CD LYS A 27 1.031 12.618 11.372 1.00 25.00 C ATOM 469 CE LYS A 27 0.489 13.729 10.467 1.00 25.00 C ATOM 470 NZ LYS A 27 -0.401 14.686 11.216 1.00 25.00 N ATOM 0 H LYS A 27 1.146 8.520 14.176 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.382 9.887 13.365 1.00 25.00 H new ATOM 0 HB2 LYS A 27 0.960 11.015 13.548 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.383 10.056 12.143 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.458 11.138 10.855 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.872 12.101 12.259 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.446 13.060 12.278 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.848 12.106 10.865 1.00 25.00 H new ATOM 0 HE2 LYS A 27 1.322 14.278 10.028 1.00 25.00 H new ATOM 0 HE3 LYS A 27 -0.069 13.285 9.643 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 -0.745 15.421 10.566 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 -1.211 14.168 11.613 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 0.138 15.130 11.987 1.00 25.00 H new ATOM 484 N PHE A 28 -1.526 8.647 11.087 1.00 25.00 N ATOM 485 CA PHE A 28 -1.677 7.757 9.932 1.00 25.00 C ATOM 486 C PHE A 28 -0.375 7.688 9.146 1.00 25.00 C ATOM 487 O PHE A 28 0.067 6.619 8.786 1.00 25.00 O ATOM 488 CB PHE A 28 -2.768 8.286 8.995 1.00 25.00 C ATOM 489 CG PHE A 28 -4.138 7.754 9.294 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.883 8.234 10.388 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.706 6.781 8.456 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.183 7.732 10.647 1.00 25.00 C ATOM 493 CE2 PHE A 28 -5.993 6.278 8.704 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.735 6.754 9.794 1.00 25.00 C ATOM 0 H PHE A 28 -2.157 9.449 11.096 1.00 25.00 H new ATOM 0 HA PHE A 28 -1.946 6.768 10.303 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -2.790 9.374 9.057 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.506 8.031 7.968 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.461 8.990 11.034 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.145 6.415 7.609 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.747 8.096 11.493 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.412 5.524 8.054 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.728 6.372 9.980 1.00 25.00 H new ATOM 504 N ALA A 29 0.253 8.834 8.919 1.00 25.00 N ATOM 505 CA ALA A 29 1.509 8.881 8.173 1.00 25.00 C ATOM 506 C ALA A 29 2.608 8.081 8.884 1.00 25.00 C ATOM 507 O ALA A 29 3.516 7.576 8.253 1.00 25.00 O ATOM 508 CB ALA A 29 1.949 10.338 7.983 1.00 25.00 C ATOM 0 H ALA A 29 -0.083 9.742 9.239 1.00 25.00 H new ATOM 0 HA ALA A 29 1.344 8.426 7.197 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.886 10.366 7.426 1.00 25.00 H new ATOM 0 HB2 ALA A 29 1.182 10.880 7.430 1.00 25.00 H new ATOM 0 HB3 ALA A 29 2.092 10.805 8.957 1.00 25.00 H new ATOM 514 N ASP A 30 2.493 7.972 10.200 1.00 25.00 N ATOM 515 CA ASP A 30 3.439 7.200 11.000 1.00 25.00 C ATOM 516 C ASP A 30 3.136 5.707 10.833 1.00 25.00 C ATOM 517 O ASP A 30 3.988 4.941 10.425 1.00 25.00 O ATOM 518 CB ASP A 30 3.309 7.622 12.472 1.00 25.00 C ATOM 519 CG ASP A 30 4.422 7.086 13.350 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.408 6.527 12.842 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.308 7.279 14.579 1.00 25.00 O ATOM 0 H ASP A 30 1.749 8.411 10.742 1.00 25.00 H new ATOM 0 HA ASP A 30 4.461 7.387 10.670 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.301 8.710 12.531 1.00 25.00 H new ATOM 0 HB3 ASP A 30 2.351 7.275 12.859 1.00 25.00 H new ATOM 526 N LEU A 31 1.898 5.303 11.094 1.00 25.00 N ATOM 527 CA LEU A 31 1.538 3.885 11.016 1.00 25.00 C ATOM 528 C LEU A 31 1.676 3.306 9.603 1.00 25.00 C ATOM 529 O LEU A 31 2.271 2.245 9.409 1.00 25.00 O ATOM 530 CB LEU A 31 0.108 3.647 11.526 1.00 25.00 C ATOM 531 CG LEU A 31 -0.088 2.400 12.421 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.578 2.178 12.657 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.509 1.116 11.836 1.00 25.00 C ATOM 0 H LEU A 31 1.133 5.924 11.358 1.00 25.00 H new ATOM 0 HA LEU A 31 2.249 3.364 11.657 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.209 4.527 12.086 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.555 3.561 10.665 1.00 25.00 H new ATOM 0 HG LEU A 31 0.444 2.605 13.350 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.720 1.300 13.287 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.002 3.052 13.151 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -2.079 2.023 11.701 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.331 0.287 12.521 1.00 25.00 H new ATOM 0 HD22 LEU A 31 0.039 0.901 10.876 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.582 1.245 11.694 1.00 25.00 H new ATOM 545 N LEU A 32 1.121 3.987 8.612 1.00 25.00 N ATOM 546 CA LEU A 32 1.145 3.464 7.243 1.00 25.00 C ATOM 547 C LEU A 32 2.548 3.431 6.667 1.00 25.00 C ATOM 548 O LEU A 32 2.824 2.624 5.794 1.00 25.00 O ATOM 549 CB LEU A 32 0.226 4.252 6.301 1.00 25.00 C ATOM 550 CG LEU A 32 -1.287 3.934 6.288 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.642 2.459 6.353 1.00 25.00 C ATOM 552 CD2 LEU A 32 -1.982 4.659 7.394 1.00 25.00 C ATOM 0 H LEU A 32 0.655 4.888 8.720 1.00 25.00 H new ATOM 0 HA LEU A 32 0.773 2.442 7.315 1.00 25.00 H new ATOM 0 HB2 LEU A 32 0.338 5.309 6.541 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.600 4.115 5.286 1.00 25.00 H new ATOM 0 HG LEU A 32 -1.631 4.279 5.313 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.726 2.345 6.338 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.211 1.943 5.495 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.244 2.029 7.272 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.046 4.424 7.371 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.563 4.350 8.352 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -1.845 5.733 7.268 1.00 25.00 H new ATOM 564 N LYS A 33 3.456 4.234 7.200 1.00 25.00 N ATOM 565 CA LYS A 33 4.856 4.172 6.753 1.00 25.00 C ATOM 566 C LYS A 33 5.422 2.770 6.981 1.00 25.00 C ATOM 567 O LYS A 33 6.201 2.265 6.181 1.00 25.00 O ATOM 568 CB LYS A 33 5.719 5.213 7.486 1.00 25.00 C ATOM 569 CG LYS A 33 7.230 5.074 7.243 1.00 25.00 C ATOM 570 CD LYS A 33 7.610 5.294 5.761 1.00 25.00 C ATOM 571 CE LYS A 33 9.043 4.852 5.473 1.00 25.00 C ATOM 572 NZ LYS A 33 10.053 5.620 6.274 1.00 25.00 N ATOM 0 H LYS A 33 3.265 4.924 7.926 1.00 25.00 H new ATOM 0 HA LYS A 33 4.880 4.399 5.687 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.404 6.210 7.177 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.527 5.136 8.556 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.763 5.795 7.863 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.556 4.082 7.556 1.00 25.00 H new ATOM 0 HD2 LYS A 33 6.923 4.738 5.123 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.497 6.348 5.509 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.143 3.789 5.692 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.253 4.980 4.411 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 11.012 5.330 5.993 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 9.934 6.638 6.099 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 9.915 5.424 7.286 1.00 25.00 H new ATOM 586 N PHE A 34 5.014 2.118 8.051 1.00 25.00 N ATOM 587 CA PHE A 34 5.503 0.775 8.322 1.00 25.00 C ATOM 588 C PHE A 34 4.832 -0.264 7.432 1.00 25.00 C ATOM 589 O PHE A 34 5.431 -1.282 7.121 1.00 25.00 O ATOM 590 CB PHE A 34 5.382 0.465 9.805 1.00 25.00 C ATOM 591 CG PHE A 34 6.341 1.269 10.631 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.641 0.794 10.873 1.00 25.00 C ATOM 593 CD2 PHE A 34 5.976 2.533 11.115 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.572 1.577 11.592 1.00 25.00 C ATOM 595 CE2 PHE A 34 6.893 3.329 11.833 1.00 25.00 C ATOM 596 CZ PHE A 34 8.193 2.852 12.074 1.00 25.00 C ATOM 0 H PHE A 34 4.356 2.485 8.739 1.00 25.00 H new ATOM 0 HA PHE A 34 6.562 0.729 8.068 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.363 0.667 10.135 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.565 -0.597 9.969 1.00 25.00 H new ATOM 0 HD1 PHE A 34 7.932 -0.179 10.506 1.00 25.00 H new ATOM 0 HD2 PHE A 34 4.977 2.903 10.935 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.569 1.204 11.773 1.00 25.00 H new ATOM 0 HE2 PHE A 34 6.597 4.302 12.196 1.00 25.00 H new ATOM 0 HZ PHE A 34 8.899 3.456 12.624 1.00 25.00 H new ATOM 606 N PHE A 35 3.643 0.027 6.927 1.00 25.00 N ATOM 607 CA PHE A 35 3.036 -0.838 5.913 1.00 25.00 C ATOM 608 C PHE A 35 3.714 -0.622 4.552 1.00 25.00 C ATOM 609 O PHE A 35 3.794 -1.541 3.747 1.00 25.00 O ATOM 610 CB PHE A 35 1.534 -0.601 5.799 1.00 25.00 C ATOM 611 CG PHE A 35 0.748 -1.143 6.965 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.711 -2.523 7.219 1.00 25.00 C ATOM 613 CD2 PHE A 35 0.027 -0.282 7.806 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.060 -3.041 8.291 1.00 25.00 C ATOM 615 CE2 PHE A 35 -0.748 -0.783 8.873 1.00 25.00 C ATOM 616 CZ PHE A 35 -0.798 -2.159 9.114 1.00 25.00 C ATOM 0 H PHE A 35 3.084 0.838 7.192 1.00 25.00 H new ATOM 0 HA PHE A 35 3.186 -1.871 6.226 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.349 0.470 5.713 1.00 25.00 H new ATOM 0 HB3 PHE A 35 1.170 -1.062 4.881 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.275 -3.197 6.592 1.00 25.00 H new ATOM 0 HD2 PHE A 35 0.066 0.783 7.633 1.00 25.00 H new ATOM 0 HE1 PHE A 35 -0.083 -4.104 8.478 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -1.302 -0.104 9.503 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.397 -2.547 9.925 1.00 25.00 H new ATOM 626 N ASP A 36 4.269 0.560 4.315 1.00 25.00 N ATOM 627 CA ASP A 36 5.070 0.782 3.105 1.00 25.00 C ATOM 628 C ASP A 36 6.364 -0.010 3.240 1.00 25.00 C ATOM 629 O ASP A 36 6.866 -0.557 2.275 1.00 25.00 O ATOM 630 CB ASP A 36 5.406 2.263 2.901 1.00 25.00 C ATOM 631 CG ASP A 36 4.200 3.087 2.533 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.517 2.751 1.538 1.00 25.00 O ATOM 633 OD2 ASP A 36 3.915 4.074 3.241 1.00 25.00 O ATOM 0 H ASP A 36 4.185 1.370 4.929 1.00 25.00 H new ATOM 0 HA ASP A 36 4.491 0.455 2.242 1.00 25.00 H new ATOM 0 HB2 ASP A 36 5.847 2.660 3.815 1.00 25.00 H new ATOM 0 HB3 ASP A 36 6.158 2.356 2.117 1.00 25.00 H new ATOM 638 N PHE A 37 6.869 -0.122 4.461 1.00 25.00 N ATOM 639 CA PHE A 37 8.080 -0.901 4.716 1.00 25.00 C ATOM 640 C PHE A 37 7.828 -2.399 4.488 1.00 25.00 C ATOM 641 O PHE A 37 8.713 -3.115 4.014 1.00 25.00 O ATOM 642 CB PHE A 37 8.581 -0.638 6.139 1.00 25.00 C ATOM 643 CG PHE A 37 9.971 -1.148 6.390 1.00 25.00 C ATOM 644 CD1 PHE A 37 11.076 -0.548 5.758 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.188 -2.229 7.266 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.390 -1.026 5.989 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.497 -2.713 7.505 1.00 25.00 C ATOM 648 CZ PHE A 37 12.597 -2.111 6.862 1.00 25.00 C ATOM 0 H PHE A 37 6.463 0.313 5.289 1.00 25.00 H new ATOM 0 HA PHE A 37 8.851 -0.587 4.013 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.556 0.435 6.332 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.898 -1.105 6.848 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.921 0.286 5.090 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.348 -2.693 7.760 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.230 -0.559 5.497 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.652 -3.542 8.179 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.596 -2.481 7.038 1.00 25.00 H new ATOM 658 N VAL A 38 6.603 -2.858 4.732 1.00 25.00 N ATOM 659 CA VAL A 38 6.229 -4.237 4.376 1.00 25.00 C ATOM 660 C VAL A 38 6.318 -4.356 2.890 1.00 25.00 C ATOM 661 O VAL A 38 6.840 -5.322 2.368 1.00 25.00 O ATOM 662 CB VAL A 38 4.748 -4.606 4.709 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.402 -6.043 4.234 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.494 -4.487 6.145 1.00 25.00 C ATOM 0 H VAL A 38 5.859 -2.312 5.167 1.00 25.00 H new ATOM 0 HA VAL A 38 6.895 -4.888 4.943 1.00 25.00 H new ATOM 0 HB VAL A 38 4.110 -3.903 4.174 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.364 -6.268 4.481 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.542 -6.113 3.155 1.00 25.00 H new ATOM 0 HG13 VAL A 38 5.057 -6.758 4.732 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.457 -4.749 6.354 1.00 25.00 H new ATOM 0 HG22 VAL A 38 5.155 -5.162 6.689 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.681 -3.462 6.464 1.00 25.00 H new ATOM 674 N LYS A 39 5.756 -3.378 2.201 1.00 25.00 N ATOM 675 CA LYS A 39 5.663 -3.453 0.762 1.00 25.00 C ATOM 676 C LYS A 39 7.064 -3.500 0.152 1.00 25.00 C ATOM 677 O LYS A 39 7.314 -4.224 -0.799 1.00 25.00 O ATOM 678 CB LYS A 39 4.904 -2.238 0.219 1.00 25.00 C ATOM 679 CG LYS A 39 4.676 -2.255 -1.302 1.00 25.00 C ATOM 680 CD LYS A 39 4.592 -0.839 -1.905 1.00 25.00 C ATOM 681 CE LYS A 39 5.914 -0.045 -1.769 1.00 25.00 C ATOM 682 NZ LYS A 39 7.098 -0.754 -2.367 1.00 25.00 N ATOM 0 H LYS A 39 5.362 -2.532 2.614 1.00 25.00 H new ATOM 0 HA LYS A 39 5.122 -4.360 0.491 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.937 -2.177 0.718 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.455 -1.335 0.481 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.488 -2.802 -1.781 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.755 -2.795 -1.521 1.00 25.00 H new ATOM 0 HD2 LYS A 39 4.326 -0.914 -2.959 1.00 25.00 H new ATOM 0 HD3 LYS A 39 3.791 -0.287 -1.413 1.00 25.00 H new ATOM 0 HE2 LYS A 39 5.798 0.925 -2.252 1.00 25.00 H new ATOM 0 HE3 LYS A 39 6.108 0.146 -0.714 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 7.864 -0.802 -1.666 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 6.822 -1.718 -2.644 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 7.427 -0.233 -3.205 1.00 25.00 H new ATOM 696 N ASP A 40 7.957 -2.689 0.697 1.00 25.00 N ATOM 697 CA ASP A 40 9.334 -2.597 0.209 1.00 25.00 C ATOM 698 C ASP A 40 10.101 -3.901 0.420 1.00 25.00 C ATOM 699 O ASP A 40 10.747 -4.401 -0.493 1.00 25.00 O ATOM 700 CB ASP A 40 10.076 -1.465 0.937 1.00 25.00 C ATOM 701 CG ASP A 40 9.562 -0.080 0.556 1.00 25.00 C ATOM 702 OD1 ASP A 40 9.057 0.084 -0.582 1.00 25.00 O ATOM 703 OD2 ASP A 40 9.672 0.846 1.388 1.00 25.00 O ATOM 0 H ASP A 40 7.754 -2.076 1.487 1.00 25.00 H new ATOM 0 HA ASP A 40 9.284 -2.393 -0.861 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.973 -1.602 2.013 1.00 25.00 H new ATOM 0 HB3 ASP A 40 11.140 -1.528 0.708 1.00 25.00 H new ATOM 708 N THR A 41 10.047 -4.435 1.633 1.00 25.00 N ATOM 709 CA THR A 41 10.814 -5.639 1.974 1.00 25.00 C ATOM 710 C THR A 41 10.155 -6.916 1.439 1.00 25.00 C ATOM 711 O THR A 41 10.818 -7.909 1.154 1.00 25.00 O ATOM 712 CB THR A 41 10.974 -5.766 3.511 1.00 25.00 C ATOM 713 OG1 THR A 41 11.182 -4.468 4.078 1.00 25.00 O ATOM 714 CG2 THR A 41 12.176 -6.624 3.875 1.00 25.00 C ATOM 0 H THR A 41 9.485 -4.060 2.398 1.00 25.00 H new ATOM 0 HA THR A 41 11.791 -5.530 1.502 1.00 25.00 H new ATOM 0 HB THR A 41 10.067 -6.229 3.899 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.321 -4.010 4.172 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.259 -6.692 4.960 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.050 -7.623 3.457 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.081 -6.173 3.470 1.00 25.00 H new ATOM 722 N CYS A 42 8.837 -6.889 1.319 1.00 25.00 N ATOM 723 CA CYS A 42 8.061 -8.035 0.848 1.00 25.00 C ATOM 724 C CYS A 42 7.127 -7.642 -0.301 1.00 25.00 C ATOM 725 O CYS A 42 5.910 -7.556 -0.110 1.00 25.00 O ATOM 726 CB CYS A 42 7.218 -8.602 1.997 1.00 25.00 C ATOM 727 SG CYS A 42 8.191 -9.231 3.373 1.00 25.00 S ATOM 0 H CYS A 42 8.270 -6.072 1.545 1.00 25.00 H new ATOM 0 HA CYS A 42 8.765 -8.786 0.488 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.550 -7.823 2.363 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.590 -9.405 1.612 1.00 25.00 H new ATOM 0 HG CYS A 42 9.450 -8.986 3.162 1.00 25.00 H new ATOM 733 N PRO A 43 7.665 -7.451 -1.517 1.00 25.00 N ATOM 734 CA PRO A 43 6.791 -7.074 -2.639 1.00 25.00 C ATOM 735 C PRO A 43 5.892 -8.224 -3.091 1.00 25.00 C ATOM 736 O PRO A 43 4.894 -8.027 -3.778 1.00 25.00 O ATOM 737 CB PRO A 43 7.790 -6.678 -3.727 1.00 25.00 C ATOM 738 CG PRO A 43 8.980 -7.526 -3.452 1.00 25.00 C ATOM 739 CD PRO A 43 9.072 -7.577 -1.946 1.00 25.00 C ATOM 0 HA PRO A 43 6.092 -6.279 -2.379 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.389 -6.864 -4.723 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.036 -5.617 -3.676 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.862 -8.523 -3.876 1.00 25.00 H new ATOM 0 HG3 PRO A 43 9.882 -7.098 -3.890 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.516 -8.511 -1.601 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.687 -6.768 -1.553 1.00 25.00 H new ATOM 747 N TRP A 44 6.232 -9.425 -2.655 1.00 25.00 N ATOM 748 CA TRP A 44 5.447 -10.617 -2.939 1.00 25.00 C ATOM 749 C TRP A 44 4.257 -10.765 -1.984 1.00 25.00 C ATOM 750 O TRP A 44 3.326 -11.503 -2.269 1.00 25.00 O ATOM 751 CB TRP A 44 6.358 -11.836 -2.846 1.00 25.00 C ATOM 752 CG TRP A 44 7.428 -11.642 -1.824 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.272 -11.611 -0.490 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.833 -11.414 -2.053 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.454 -11.397 0.156 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.444 -11.258 -0.774 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.636 -11.308 -3.207 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.819 -11.000 -0.620 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.024 -11.048 -3.058 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.598 -10.895 -1.760 1.00 25.00 C ATOM 0 H TRP A 44 7.064 -9.603 -2.092 1.00 25.00 H new ATOM 0 HA TRP A 44 5.035 -10.529 -3.944 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.766 -12.715 -2.592 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.812 -12.027 -3.818 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.324 -11.740 0.011 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.578 -11.349 1.167 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.202 -11.423 -4.189 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.255 -10.887 0.362 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.650 -10.965 -3.934 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.655 -10.694 -1.666 1.00 25.00 H new ATOM 771 N PHE A 45 4.252 -10.041 -0.870 1.00 25.00 N ATOM 772 CA PHE A 45 3.116 -10.123 0.057 1.00 25.00 C ATOM 773 C PHE A 45 1.828 -9.583 -0.595 1.00 25.00 C ATOM 774 O PHE A 45 0.817 -10.294 -0.624 1.00 25.00 O ATOM 775 CB PHE A 45 3.407 -9.399 1.383 1.00 25.00 C ATOM 776 CG PHE A 45 2.280 -9.503 2.385 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.179 -8.629 2.311 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.307 -10.483 3.397 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.108 -8.730 3.225 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.238 -10.588 4.333 1.00 25.00 C ATOM 781 CZ PHE A 45 0.136 -9.710 4.238 1.00 25.00 C ATOM 0 H PHE A 45 4.998 -9.405 -0.587 1.00 25.00 H new ATOM 0 HA PHE A 45 2.963 -11.177 0.288 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.314 -9.814 1.823 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.605 -8.347 1.178 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.153 -7.870 1.543 1.00 25.00 H new ATOM 0 HD2 PHE A 45 3.145 -11.161 3.464 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.733 -8.057 3.148 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.270 -11.336 5.112 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.682 -9.789 4.939 1.00 25.00 H new ATOM 791 N PRO A 46 1.843 -8.347 -1.157 1.00 25.00 N ATOM 792 CA PRO A 46 0.572 -7.977 -1.791 1.00 25.00 C ATOM 793 C PRO A 46 0.270 -8.767 -3.065 1.00 25.00 C ATOM 794 O PRO A 46 -0.879 -8.883 -3.454 1.00 25.00 O ATOM 795 CB PRO A 46 0.762 -6.488 -2.093 1.00 25.00 C ATOM 796 CG PRO A 46 2.207 -6.342 -2.307 1.00 25.00 C ATOM 797 CD PRO A 46 2.824 -7.246 -1.276 1.00 25.00 C ATOM 0 HA PRO A 46 -0.280 -8.196 -1.148 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.197 -6.186 -2.975 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.418 -5.867 -1.266 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.492 -6.636 -3.317 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.527 -5.309 -2.174 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.801 -7.610 -1.594 1.00 25.00 H new ATOM 0 HD3 PRO A 46 2.969 -6.732 -0.326 1.00 25.00 H new ATOM 805 N GLN A 47 1.298 -9.337 -3.685 1.00 25.00 N ATOM 806 CA GLN A 47 1.121 -10.139 -4.896 1.00 25.00 C ATOM 807 C GLN A 47 0.324 -11.416 -4.606 1.00 25.00 C ATOM 808 O GLN A 47 -0.511 -11.825 -5.404 1.00 25.00 O ATOM 809 CB GLN A 47 2.493 -10.503 -5.470 1.00 25.00 C ATOM 810 CG GLN A 47 2.443 -11.147 -6.846 1.00 25.00 C ATOM 811 CD GLN A 47 3.826 -11.429 -7.387 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.652 -12.037 -6.727 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.088 -10.976 -8.585 1.00 25.00 N ATOM 0 H GLN A 47 2.265 -9.260 -3.370 1.00 25.00 H new ATOM 0 HA GLN A 47 0.560 -9.549 -5.621 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.102 -9.601 -5.526 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.994 -11.183 -4.781 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.878 -12.078 -6.791 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.911 -10.491 -7.535 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.372 -10.472 -9.107 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.009 -11.127 -8.997 1.00 25.00 H new ATOM 822 N GLU A 48 0.571 -12.038 -3.460 1.00 25.00 N ATOM 823 CA GLU A 48 -0.170 -13.245 -3.080 1.00 25.00 C ATOM 824 C GLU A 48 -1.568 -12.883 -2.557 1.00 25.00 C ATOM 825 O GLU A 48 -2.450 -13.740 -2.472 1.00 25.00 O ATOM 826 CB GLU A 48 0.602 -14.051 -2.030 1.00 25.00 C ATOM 827 CG GLU A 48 1.867 -14.722 -2.586 1.00 25.00 C ATOM 828 CD GLU A 48 2.465 -15.719 -1.603 1.00 25.00 C ATOM 829 OE1 GLU A 48 2.034 -16.896 -1.614 1.00 25.00 O ATOM 830 OE2 GLU A 48 3.247 -15.312 -0.715 1.00 25.00 O ATOM 0 H GLU A 48 1.269 -11.735 -2.781 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.285 -13.864 -3.970 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.881 -13.391 -1.209 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.054 -14.816 -1.615 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.626 -15.233 -3.518 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.608 -13.958 -2.823 1.00 25.00 H new ATOM 837 N GLY A 49 -1.767 -11.608 -2.236 1.00 25.00 N ATOM 838 CA GLY A 49 -3.085 -11.085 -1.890 1.00 25.00 C ATOM 839 C GLY A 49 -3.823 -11.754 -0.744 1.00 25.00 C ATOM 840 O GLY A 49 -5.045 -11.695 -0.690 1.00 25.00 O ATOM 0 H GLY A 49 -1.023 -10.911 -2.208 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.975 -10.028 -1.648 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.715 -11.145 -2.777 1.00 25.00 H new ATOM 844 N THR A 50 -3.107 -12.415 0.151 1.00 25.00 N ATOM 845 CA THR A 50 -3.738 -13.170 1.236 1.00 25.00 C ATOM 846 C THR A 50 -3.151 -12.741 2.575 1.00 25.00 C ATOM 847 O THR A 50 -1.932 -12.613 2.713 1.00 25.00 O ATOM 848 CB THR A 50 -3.522 -14.681 1.035 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.966 -15.064 -0.270 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.299 -15.505 2.063 1.00 25.00 C ATOM 0 H THR A 50 -2.088 -12.448 0.153 1.00 25.00 H new ATOM 0 HA THR A 50 -4.808 -12.964 1.228 1.00 25.00 H new ATOM 0 HB THR A 50 -2.456 -14.876 1.157 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.383 -14.660 -0.946 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.121 -16.566 1.888 1.00 25.00 H new ATOM 0 HG22 THR A 50 -3.966 -15.242 3.067 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.364 -15.295 1.967 1.00 25.00 H new ATOM 858 N ILE A 51 -4.015 -12.491 3.548 1.00 25.00 N ATOM 859 CA ILE A 51 -3.606 -11.948 4.840 1.00 25.00 C ATOM 860 C ILE A 51 -4.039 -12.862 5.983 1.00 25.00 C ATOM 861 O ILE A 51 -5.204 -12.938 6.354 1.00 25.00 O ATOM 862 CB ILE A 51 -4.192 -10.524 5.027 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.717 -9.632 3.863 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.760 -9.908 6.394 1.00 25.00 C ATOM 865 CD1 ILE A 51 -4.324 -8.292 3.840 1.00 25.00 C ATOM 0 H ILE A 51 -5.018 -12.658 3.467 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.518 -11.887 4.858 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.280 -10.587 5.027 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.634 -9.526 3.920 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.939 -10.135 2.922 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.187 -8.910 6.495 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.118 -10.539 7.207 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.673 -9.843 6.437 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.935 -7.731 2.990 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -5.406 -8.384 3.749 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -4.081 -7.767 4.764 1.00 25.00 H new ATOM 877 N ASP A 52 -3.059 -13.535 6.560 1.00 25.00 N ATOM 878 CA ASP A 52 -3.269 -14.406 7.710 1.00 25.00 C ATOM 879 C ASP A 52 -1.998 -14.337 8.521 1.00 25.00 C ATOM 880 O ASP A 52 -0.955 -13.939 8.007 1.00 25.00 O ATOM 881 CB ASP A 52 -3.508 -15.846 7.270 1.00 25.00 C ATOM 882 CG ASP A 52 -3.510 -16.810 8.430 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.326 -16.670 9.351 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.574 -17.627 8.495 1.00 25.00 O ATOM 0 H ASP A 52 -2.090 -13.495 6.245 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.143 -14.089 8.279 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.462 -15.909 6.747 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.735 -16.139 6.559 1.00 25.00 H new ATOM 889 N ILE A 53 -2.064 -14.740 9.775 1.00 25.00 N ATOM 890 CA ILE A 53 -0.917 -14.680 10.657 1.00 25.00 C ATOM 891 C ILE A 53 0.238 -15.561 10.185 1.00 25.00 C ATOM 892 O ILE A 53 1.392 -15.203 10.355 1.00 25.00 O ATOM 893 CB ILE A 53 -1.358 -15.035 12.096 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.265 -14.679 13.117 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.748 -16.528 12.240 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.081 -13.205 13.213 1.00 25.00 C ATOM 0 H ILE A 53 -2.908 -15.115 10.208 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.531 -13.661 10.642 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.245 -14.436 12.303 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.584 -15.025 14.100 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.640 -15.231 12.863 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.050 -16.728 13.268 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.576 -16.754 11.568 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.893 -17.154 11.985 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.861 -13.062 13.961 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.436 -12.851 12.245 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.806 -12.641 13.502 1.00 25.00 H new ATOM 908 N LYS A 54 -0.054 -16.677 9.530 1.00 25.00 N ATOM 909 CA LYS A 54 1.004 -17.562 9.036 1.00 25.00 C ATOM 910 C LYS A 54 1.796 -16.851 7.945 1.00 25.00 C ATOM 911 O LYS A 54 2.990 -17.076 7.792 1.00 25.00 O ATOM 912 CB LYS A 54 0.400 -18.876 8.527 1.00 25.00 C ATOM 913 CG LYS A 54 -0.238 -19.705 9.665 1.00 25.00 C ATOM 914 CD LYS A 54 -0.884 -21.017 9.183 1.00 25.00 C ATOM 915 CE LYS A 54 -2.241 -20.812 8.474 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.298 -20.193 9.368 1.00 25.00 N ATOM 0 H LYS A 54 -1.003 -16.993 9.328 1.00 25.00 H new ATOM 0 HA LYS A 54 1.687 -17.806 9.850 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.355 -18.658 7.771 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.177 -19.467 8.041 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.526 -19.937 10.407 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.994 -19.099 10.165 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -0.199 -21.521 8.501 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.026 -21.678 10.038 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.095 -20.175 7.602 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.601 -21.774 8.109 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.240 -20.512 9.064 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.135 -20.485 10.353 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -3.245 -19.156 9.301 1.00 25.00 H new ATOM 930 N ARG A 55 1.139 -15.953 7.224 1.00 25.00 N ATOM 931 CA ARG A 55 1.810 -15.156 6.198 1.00 25.00 C ATOM 932 C ARG A 55 2.466 -13.919 6.797 1.00 25.00 C ATOM 933 O ARG A 55 3.562 -13.555 6.412 1.00 25.00 O ATOM 934 CB ARG A 55 0.805 -14.745 5.129 1.00 25.00 C ATOM 935 CG ARG A 55 0.208 -15.938 4.408 1.00 25.00 C ATOM 936 CD ARG A 55 -0.717 -15.475 3.321 1.00 25.00 C ATOM 937 NE ARG A 55 -0.761 -16.420 2.195 1.00 25.00 N ATOM 938 CZ ARG A 55 0.131 -16.465 1.211 1.00 25.00 C ATOM 939 NH1 ARG A 55 1.171 -15.673 1.185 1.00 25.00 N ATOM 940 NH2 ARG A 55 -0.027 -17.318 0.243 1.00 25.00 N ATOM 0 H ARG A 55 0.144 -15.756 7.328 1.00 25.00 H new ATOM 0 HA ARG A 55 2.593 -15.767 5.750 1.00 25.00 H new ATOM 0 HB2 ARG A 55 0.005 -14.165 5.590 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.295 -14.094 4.405 1.00 25.00 H new ATOM 0 HG2 ARG A 55 1.003 -16.551 3.983 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.335 -16.566 5.115 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.720 -15.349 3.728 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.394 -14.498 2.962 1.00 25.00 H new ATOM 0 HE ARG A 55 -1.531 -17.088 2.167 1.00 25.00 H new ATOM 0 HH11 ARG A 55 1.315 -14.996 1.934 1.00 25.00 H new ATOM 0 HH12 ARG A 55 1.838 -15.732 0.416 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -0.831 -17.946 0.243 1.00 25.00 H new ATOM 0 HH22 ARG A 55 0.653 -17.359 -0.516 1.00 25.00 H new ATOM 954 N TRP A 56 1.809 -13.296 7.763 1.00 25.00 N ATOM 955 CA TRP A 56 2.361 -12.112 8.423 1.00 25.00 C ATOM 956 C TRP A 56 3.642 -12.446 9.186 1.00 25.00 C ATOM 957 O TRP A 56 4.543 -11.621 9.295 1.00 25.00 O ATOM 958 CB TRP A 56 1.334 -11.508 9.380 1.00 25.00 C ATOM 959 CG TRP A 56 1.795 -10.197 9.941 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.212 -9.943 11.206 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.915 -8.941 9.241 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.582 -8.642 11.364 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.426 -7.990 10.173 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.653 -8.522 7.919 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.687 -6.651 9.821 1.00 25.00 C ATOM 966 CZ3 TRP A 56 1.906 -7.169 7.563 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.418 -6.249 8.527 1.00 25.00 C ATOM 0 H TRP A 56 0.895 -13.586 8.110 1.00 25.00 H new ATOM 0 HA TRP A 56 2.603 -11.385 7.648 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.389 -11.366 8.856 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.144 -12.205 10.196 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.246 -10.682 11.992 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.920 -8.223 12.230 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.266 -9.218 7.189 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.087 -5.956 10.545 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.709 -6.835 6.555 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.598 -5.223 8.240 1.00 25.00 H new ATOM 978 N ARG A 57 3.744 -13.671 9.682 1.00 25.00 N ATOM 979 CA ARG A 57 4.952 -14.113 10.380 1.00 25.00 C ATOM 980 C ARG A 57 6.173 -14.028 9.466 1.00 25.00 C ATOM 981 O ARG A 57 7.189 -13.469 9.851 1.00 25.00 O ATOM 982 CB ARG A 57 4.756 -15.513 10.952 1.00 25.00 C ATOM 983 CG ARG A 57 3.942 -15.477 12.254 1.00 25.00 C ATOM 984 CD ARG A 57 3.281 -16.809 12.543 1.00 25.00 C ATOM 985 NE ARG A 57 2.445 -16.751 13.761 1.00 25.00 N ATOM 986 CZ ARG A 57 1.859 -17.792 14.345 1.00 25.00 C ATOM 987 NH1 ARG A 57 2.039 -19.019 13.923 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.071 -17.599 15.367 1.00 25.00 N ATOM 0 H ARG A 57 3.011 -14.377 9.617 1.00 25.00 H new ATOM 0 HA ARG A 57 5.137 -13.442 11.219 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.246 -16.139 10.220 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.727 -15.970 11.141 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.596 -15.208 13.084 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.180 -14.701 12.185 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.665 -17.102 11.693 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.046 -17.577 12.662 1.00 25.00 H new ATOM 0 HE ARG A 57 2.306 -15.836 14.189 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.645 -19.199 13.122 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.573 -19.794 14.395 1.00 25.00 H new ATOM 0 HH21 ARG A 57 0.907 -16.654 15.714 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.619 -18.393 15.819 1.00 25.00 H new ATOM 1002 N ARG A 58 6.016 -14.456 8.219 1.00 25.00 N ATOM 1003 CA ARG A 58 7.091 -14.337 7.214 1.00 25.00 C ATOM 1004 C ARG A 58 7.567 -12.907 6.986 1.00 25.00 C ATOM 1005 O ARG A 58 8.710 -12.695 6.628 1.00 25.00 O ATOM 1006 CB ARG A 58 6.651 -14.888 5.860 1.00 25.00 C ATOM 1007 CG ARG A 58 6.557 -16.393 5.783 1.00 25.00 C ATOM 1008 CD ARG A 58 6.250 -16.788 4.345 1.00 25.00 C ATOM 1009 NE ARG A 58 6.331 -18.241 4.130 1.00 25.00 N ATOM 1010 CZ ARG A 58 6.141 -18.848 2.962 1.00 25.00 C ATOM 1011 NH1 ARG A 58 5.837 -18.189 1.869 1.00 25.00 N ATOM 1012 NH2 ARG A 58 6.263 -20.144 2.895 1.00 25.00 N ATOM 0 H ARG A 58 5.161 -14.889 7.870 1.00 25.00 H new ATOM 0 HA ARG A 58 7.914 -14.918 7.630 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.678 -14.465 5.612 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.352 -14.543 5.099 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.493 -16.848 6.109 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.776 -16.758 6.450 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.251 -16.440 4.082 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.949 -16.286 3.677 1.00 25.00 H new ATOM 0 HE ARG A 58 6.549 -18.826 4.936 1.00 25.00 H new ATOM 0 HH11 ARG A 58 5.739 -17.174 1.896 1.00 25.00 H new ATOM 0 HH12 ARG A 58 5.699 -18.692 0.992 1.00 25.00 H new ATOM 0 HH21 ARG A 58 6.501 -20.678 3.731 1.00 25.00 H new ATOM 0 HH22 ARG A 58 6.120 -20.624 2.007 1.00 25.00 H new ATOM 1026 N VAL A 59 6.700 -11.926 7.174 1.00 25.00 N ATOM 1027 CA VAL A 59 7.081 -10.526 6.964 1.00 25.00 C ATOM 1028 C VAL A 59 8.108 -10.124 8.014 1.00 25.00 C ATOM 1029 O VAL A 59 9.068 -9.415 7.732 1.00 25.00 O ATOM 1030 CB VAL A 59 5.844 -9.587 7.071 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.229 -8.138 6.834 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.786 -10.011 6.065 1.00 25.00 C ATOM 0 H VAL A 59 5.733 -12.064 7.469 1.00 25.00 H new ATOM 0 HA VAL A 59 7.503 -10.429 5.964 1.00 25.00 H new ATOM 0 HB VAL A 59 5.443 -9.670 8.081 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.343 -7.508 6.916 1.00 25.00 H new ATOM 0 HG12 VAL A 59 6.963 -7.830 7.579 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.658 -8.034 5.837 1.00 25.00 H new ATOM 0 HG21 VAL A 59 3.923 -9.350 6.145 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.197 -9.951 5.057 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.478 -11.036 6.271 1.00 25.00 H new ATOM 1042 N GLY A 60 7.918 -10.618 9.224 1.00 25.00 N ATOM 1043 CA GLY A 60 8.833 -10.306 10.302 1.00 25.00 C ATOM 1044 C GLY A 60 10.126 -11.065 10.151 1.00 25.00 C ATOM 1045 O GLY A 60 11.196 -10.540 10.450 1.00 25.00 O ATOM 0 H GLY A 60 7.145 -11.231 9.482 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.035 -9.235 10.313 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.372 -10.553 11.258 1.00 25.00 H new ATOM 1049 N ASP A 61 10.031 -12.280 9.633 1.00 25.00 N ATOM 1050 CA ASP A 61 11.213 -13.097 9.361 1.00 25.00 C ATOM 1051 C ASP A 61 12.056 -12.360 8.313 1.00 25.00 C ATOM 1052 O ASP A 61 13.275 -12.287 8.405 1.00 25.00 O ATOM 1053 CB ASP A 61 10.806 -14.483 8.823 1.00 25.00 C ATOM 1054 CG ASP A 61 9.909 -15.264 9.791 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.989 -15.050 11.019 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.088 -16.080 9.299 1.00 25.00 O ATOM 0 H ASP A 61 9.147 -12.727 9.391 1.00 25.00 H new ATOM 0 HA ASP A 61 11.780 -13.249 10.279 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.285 -14.359 7.874 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.705 -15.065 8.619 1.00 25.00 H new ATOM 1061 N CYS A 62 11.376 -11.758 7.345 1.00 25.00 N ATOM 1062 CA CYS A 62 12.027 -10.978 6.293 1.00 25.00 C ATOM 1063 C CYS A 62 12.728 -9.744 6.861 1.00 25.00 C ATOM 1064 O CYS A 62 13.852 -9.431 6.484 1.00 25.00 O ATOM 1065 CB CYS A 62 10.984 -10.538 5.263 1.00 25.00 C ATOM 1066 SG CYS A 62 11.620 -10.452 3.572 1.00 25.00 S ATOM 0 H CYS A 62 10.360 -11.795 7.265 1.00 25.00 H new ATOM 0 HA CYS A 62 12.780 -11.610 5.822 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.144 -11.232 5.291 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.598 -9.559 5.546 1.00 25.00 H new ATOM 0 HG CYS A 62 10.630 -10.517 2.732 1.00 25.00 H new ATOM 1072 N PHE A 63 12.079 -9.051 7.791 1.00 25.00 N ATOM 1073 CA PHE A 63 12.703 -7.882 8.412 1.00 25.00 C ATOM 1074 C PHE A 63 13.933 -8.307 9.196 1.00 25.00 C ATOM 1075 O PHE A 63 14.896 -7.564 9.270 1.00 25.00 O ATOM 1076 CB PHE A 63 11.766 -7.170 9.395 1.00 25.00 C ATOM 1077 CG PHE A 63 10.524 -6.565 8.771 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.518 -6.076 7.446 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.350 -6.443 9.542 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.352 -5.476 6.901 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.186 -5.837 9.007 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.192 -5.353 7.685 1.00 25.00 C ATOM 0 H PHE A 63 11.141 -9.270 8.128 1.00 25.00 H new ATOM 0 HA PHE A 63 12.956 -7.201 7.599 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.460 -7.881 10.162 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.324 -6.380 9.898 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.409 -6.159 6.841 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.338 -6.817 10.555 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.357 -5.114 5.883 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.296 -5.747 9.612 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.308 -4.888 7.274 1.00 25.00 H new ATOM 1092 N GLN A 64 13.889 -9.485 9.803 1.00 25.00 N ATOM 1093 CA GLN A 64 15.007 -9.972 10.609 1.00 25.00 C ATOM 1094 C GLN A 64 16.197 -10.306 9.719 1.00 25.00 C ATOM 1095 O GLN A 64 17.344 -10.047 10.078 1.00 25.00 O ATOM 1096 CB GLN A 64 14.583 -11.213 11.397 1.00 25.00 C ATOM 1097 CG GLN A 64 15.592 -11.638 12.454 1.00 25.00 C ATOM 1098 CD GLN A 64 15.102 -12.807 13.279 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.114 -13.941 12.842 1.00 25.00 O ATOM 1100 NE2 GLN A 64 14.677 -12.532 14.486 1.00 25.00 N ATOM 0 H GLN A 64 13.094 -10.122 9.755 1.00 25.00 H new ATOM 0 HA GLN A 64 15.300 -9.188 11.307 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.625 -11.017 11.879 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.428 -12.039 10.702 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.531 -11.906 11.970 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.802 -10.795 13.112 1.00 25.00 H new ATOM 0 HE21 GLN A 64 14.681 -11.569 14.821 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.342 -13.281 15.092 1.00 25.00 H new ATOM 1109 N ASP A 65 15.921 -10.854 8.549 1.00 25.00 N ATOM 1110 CA ASP A 65 16.973 -11.179 7.594 1.00 25.00 C ATOM 1111 C ASP A 65 17.632 -9.894 7.100 1.00 25.00 C ATOM 1112 O ASP A 65 18.849 -9.739 7.123 1.00 25.00 O ATOM 1113 CB ASP A 65 16.394 -11.959 6.416 1.00 25.00 C ATOM 1114 CG ASP A 65 17.469 -12.627 5.574 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.481 -13.087 6.152 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.280 -12.735 4.346 1.00 25.00 O ATOM 0 H ASP A 65 14.978 -11.084 8.235 1.00 25.00 H new ATOM 0 HA ASP A 65 17.722 -11.799 8.086 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.706 -12.718 6.790 1.00 25.00 H new ATOM 0 HB3 ASP A 65 15.813 -11.284 5.788 1.00 25.00 H new ATOM 1121 N TYR A 66 16.799 -8.934 6.727 1.00 25.00 N ATOM 1122 CA TYR A 66 17.276 -7.639 6.246 1.00 25.00 C ATOM 1123 C TYR A 66 18.038 -6.892 7.352 1.00 25.00 C ATOM 1124 O TYR A 66 18.996 -6.157 7.096 1.00 25.00 O ATOM 1125 CB TYR A 66 16.076 -6.820 5.763 1.00 25.00 C ATOM 1126 CG TYR A 66 16.402 -5.847 4.649 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.119 -4.662 4.901 1.00 25.00 C ATOM 1128 CD2 TYR A 66 15.987 -6.110 3.326 1.00 25.00 C ATOM 1129 CE1 TYR A 66 17.415 -3.755 3.852 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.277 -5.198 2.276 1.00 25.00 C ATOM 1131 CZ TYR A 66 16.991 -4.030 2.553 1.00 25.00 C ATOM 1132 OH TYR A 66 17.282 -3.143 1.548 1.00 25.00 O ATOM 0 H TYR A 66 15.783 -9.025 6.747 1.00 25.00 H new ATOM 0 HA TYR A 66 17.969 -7.791 5.419 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.298 -7.502 5.420 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.664 -6.266 6.607 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.448 -4.441 5.906 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.442 -7.017 3.109 1.00 25.00 H new ATOM 0 HE1 TYR A 66 17.969 -2.851 4.059 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.947 -5.407 1.269 1.00 25.00 H new ATOM 0 HH TYR A 66 16.920 -3.478 0.701 1.00 25.00 H new ATOM 1142 N PHE A 67 17.620 -7.099 8.593 1.00 25.00 N ATOM 1143 CA PHE A 67 18.291 -6.502 9.747 1.00 25.00 C ATOM 1144 C PHE A 67 19.677 -7.103 9.950 1.00 25.00 C ATOM 1145 O PHE A 67 20.617 -6.378 10.254 1.00 25.00 O ATOM 1146 CB PHE A 67 17.442 -6.733 11.007 1.00 25.00 C ATOM 1147 CG PHE A 67 18.038 -6.172 12.279 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.037 -6.878 12.981 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.571 -4.956 12.808 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.572 -6.369 14.190 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.087 -4.446 14.021 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.093 -5.152 14.709 1.00 25.00 C ATOM 0 H PHE A 67 16.815 -7.679 8.831 1.00 25.00 H new ATOM 0 HA PHE A 67 18.405 -5.434 9.563 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.459 -6.287 10.854 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.289 -7.805 11.135 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.399 -7.818 12.592 1.00 25.00 H new ATOM 0 HD2 PHE A 67 16.807 -4.404 12.280 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.345 -6.913 14.712 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.710 -3.516 14.420 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.495 -4.761 15.632 1.00 25.00 H new ATOM 1162 N ASN A 68 19.807 -8.420 9.819 1.00 25.00 N ATOM 1163 CA ASN A 68 21.069 -9.089 10.158 1.00 25.00 C ATOM 1164 C ASN A 68 22.213 -8.700 9.237 1.00 25.00 C ATOM 1165 O ASN A 68 23.375 -8.764 9.624 1.00 25.00 O ATOM 1166 CB ASN A 68 20.902 -10.625 10.234 1.00 25.00 C ATOM 1167 CG ASN A 68 20.983 -11.332 8.876 1.00 25.00 C ATOM 1168 OD1 ASN A 68 21.942 -11.210 8.136 1.00 25.00 O ATOM 1169 ND2 ASN A 68 20.010 -12.143 8.608 1.00 25.00 N ATOM 0 H ASN A 68 19.069 -9.041 9.486 1.00 25.00 H new ATOM 0 HA ASN A 68 21.340 -8.734 11.152 1.00 25.00 H new ATOM 0 HB2 ASN A 68 21.672 -11.031 10.889 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.940 -10.853 10.693 1.00 25.00 H new ATOM 0 HD21 ASN A 68 20.033 -12.703 7.756 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.221 -12.222 9.249 1.00 25.00 H new ATOM 1176 N THR A 69 21.866 -8.266 8.038 1.00 25.00 N ATOM 1177 CA THR A 69 22.854 -7.883 7.038 1.00 25.00 C ATOM 1178 C THR A 69 23.781 -6.769 7.532 1.00 25.00 C ATOM 1179 O THR A 69 24.977 -6.781 7.257 1.00 25.00 O ATOM 1180 CB THR A 69 22.142 -7.400 5.755 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.052 -8.277 5.461 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.081 -7.389 4.561 1.00 25.00 C ATOM 0 H THR A 69 20.899 -8.169 7.729 1.00 25.00 H new ATOM 0 HA THR A 69 23.460 -8.766 6.835 1.00 25.00 H new ATOM 0 HB THR A 69 21.792 -6.383 5.933 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.597 -7.972 4.648 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.543 -7.044 3.678 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.917 -6.719 4.762 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.458 -8.397 4.385 1.00 25.00 H new ATOM 1190 N PHE A 70 23.213 -5.786 8.223 1.00 25.00 N ATOM 1191 CA PHE A 70 23.998 -4.658 8.741 1.00 25.00 C ATOM 1192 C PHE A 70 23.834 -4.376 10.237 1.00 25.00 C ATOM 1193 O PHE A 70 24.803 -4.077 10.923 1.00 25.00 O ATOM 1194 CB PHE A 70 23.658 -3.402 7.954 1.00 25.00 C ATOM 1195 CG PHE A 70 24.602 -3.129 6.822 1.00 25.00 C ATOM 1196 CD1 PHE A 70 24.371 -3.681 5.548 1.00 25.00 C ATOM 1197 CD2 PHE A 70 25.740 -2.326 7.024 1.00 25.00 C ATOM 1198 CE1 PHE A 70 25.268 -3.435 4.478 1.00 25.00 C ATOM 1199 CE2 PHE A 70 26.646 -2.072 5.964 1.00 25.00 C ATOM 1200 CZ PHE A 70 26.408 -2.628 4.688 1.00 25.00 C ATOM 0 H PHE A 70 22.217 -5.742 8.439 1.00 25.00 H new ATOM 0 HA PHE A 70 25.040 -4.950 8.612 1.00 25.00 H new ATOM 0 HB2 PHE A 70 22.647 -3.494 7.558 1.00 25.00 H new ATOM 0 HB3 PHE A 70 23.659 -2.548 8.631 1.00 25.00 H new ATOM 0 HD1 PHE A 70 23.501 -4.299 5.384 1.00 25.00 H new ATOM 0 HD2 PHE A 70 25.925 -1.898 7.998 1.00 25.00 H new ATOM 0 HE1 PHE A 70 25.080 -3.864 3.505 1.00 25.00 H new ATOM 0 HE2 PHE A 70 27.516 -1.455 6.132 1.00 25.00 H new ATOM 0 HZ PHE A 70 27.094 -2.437 3.876 1.00 25.00 H new ATOM 1210 N GLY A 71 22.598 -4.391 10.722 1.00 25.00 N ATOM 1211 CA GLY A 71 22.323 -4.026 12.102 1.00 25.00 C ATOM 1212 C GLY A 71 21.124 -3.098 12.213 1.00 25.00 C ATOM 1213 O GLY A 71 20.367 -2.937 11.244 1.00 25.00 O ATOM 0 H GLY A 71 21.774 -4.652 10.180 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.140 -4.928 12.687 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.199 -3.540 12.531 1.00 25.00 H new ATOM 1217 N PRO A 72 20.944 -2.415 13.362 1.00 25.00 N ATOM 1218 CA PRO A 72 19.799 -1.509 13.543 1.00 25.00 C ATOM 1219 C PRO A 72 19.865 -0.237 12.703 1.00 25.00 C ATOM 1220 O PRO A 72 18.881 0.489 12.585 1.00 25.00 O ATOM 1221 CB PRO A 72 19.855 -1.187 15.037 1.00 25.00 C ATOM 1222 CG PRO A 72 21.293 -1.268 15.368 1.00 25.00 C ATOM 1223 CD PRO A 72 21.786 -2.453 14.575 1.00 25.00 C ATOM 0 HA PRO A 72 18.869 -1.973 13.214 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.453 -0.196 15.247 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.271 -1.898 15.621 1.00 25.00 H new ATOM 0 HG2 PRO A 72 21.819 -0.355 15.089 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.449 -1.411 16.437 1.00 25.00 H new ATOM 0 HD2 PRO A 72 22.845 -2.365 14.334 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.661 -3.386 15.124 1.00 25.00 H new ATOM 1231 N GLU A 73 21.013 0.013 12.095 1.00 25.00 N ATOM 1232 CA GLU A 73 21.179 1.156 11.202 1.00 25.00 C ATOM 1233 C GLU A 73 20.481 0.889 9.873 1.00 25.00 C ATOM 1234 O GLU A 73 20.172 1.810 9.118 1.00 25.00 O ATOM 1235 CB GLU A 73 22.667 1.407 10.953 1.00 25.00 C ATOM 1236 CG GLU A 73 23.453 1.689 12.228 1.00 25.00 C ATOM 1237 CD GLU A 73 24.894 2.072 11.938 1.00 25.00 C ATOM 1238 OE1 GLU A 73 25.562 1.341 11.179 1.00 25.00 O ATOM 1239 OE2 GLU A 73 25.351 3.110 12.460 1.00 25.00 O ATOM 0 H GLU A 73 21.849 -0.561 12.202 1.00 25.00 H new ATOM 0 HA GLU A 73 20.735 2.035 11.670 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.096 0.538 10.455 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.777 2.251 10.273 1.00 25.00 H new ATOM 0 HG2 GLU A 73 22.969 2.494 12.781 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.435 0.806 12.867 1.00 25.00 H new ATOM 1246 N LYS A 74 20.242 -0.384 9.581 1.00 25.00 N ATOM 1247 CA LYS A 74 19.616 -0.771 8.322 1.00 25.00 C ATOM 1248 C LYS A 74 18.117 -0.933 8.460 1.00 25.00 C ATOM 1249 O LYS A 74 17.360 -0.444 7.623 1.00 25.00 O ATOM 1250 CB LYS A 74 20.241 -2.067 7.826 1.00 25.00 C ATOM 1251 CG LYS A 74 19.879 -2.460 6.386 1.00 25.00 C ATOM 1252 CD LYS A 74 20.494 -1.511 5.347 1.00 25.00 C ATOM 1253 CE LYS A 74 19.473 -0.483 4.835 1.00 25.00 C ATOM 1254 NZ LYS A 74 20.102 0.467 3.865 1.00 25.00 N ATOM 0 H LYS A 74 20.471 -1.164 10.197 1.00 25.00 H new ATOM 0 HA LYS A 74 19.789 0.026 7.599 1.00 25.00 H new ATOM 0 HB2 LYS A 74 21.325 -1.980 7.900 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.940 -2.875 8.493 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.221 -3.477 6.193 1.00 25.00 H new ATOM 0 HG3 LYS A 74 18.795 -2.462 6.275 1.00 25.00 H new ATOM 0 HD2 LYS A 74 21.343 -0.990 5.789 1.00 25.00 H new ATOM 0 HD3 LYS A 74 20.877 -2.091 4.508 1.00 25.00 H new ATOM 0 HE2 LYS A 74 18.642 -1.000 4.355 1.00 25.00 H new ATOM 0 HE3 LYS A 74 19.059 0.073 5.676 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 19.390 1.150 3.536 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 20.879 0.976 4.332 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 20.475 -0.063 3.052 1.00 25.00 H new ATOM 1268 N VAL A 75 17.689 -1.596 9.523 1.00 25.00 N ATOM 1269 CA VAL A 75 16.266 -1.733 9.811 1.00 25.00 C ATOM 1270 C VAL A 75 16.097 -1.259 11.245 1.00 25.00 C ATOM 1271 O VAL A 75 16.814 -1.716 12.133 1.00 25.00 O ATOM 1272 CB VAL A 75 15.815 -3.222 9.689 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.334 -3.397 10.064 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.058 -3.737 8.274 1.00 25.00 C ATOM 0 H VAL A 75 18.303 -2.047 10.200 1.00 25.00 H new ATOM 0 HA VAL A 75 15.662 -1.157 9.110 1.00 25.00 H new ATOM 0 HB VAL A 75 16.412 -3.805 10.391 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.056 -4.446 9.967 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.179 -3.074 11.093 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.716 -2.795 9.398 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.738 -4.777 8.205 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.490 -3.135 7.565 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.120 -3.668 8.039 1.00 25.00 H new ATOM 1284 N PRO A 76 15.128 -0.369 11.508 1.00 25.00 N ATOM 1285 CA PRO A 76 15.046 0.057 12.905 1.00 25.00 C ATOM 1286 C PRO A 76 14.371 -0.976 13.783 1.00 25.00 C ATOM 1287 O PRO A 76 13.500 -1.715 13.338 1.00 25.00 O ATOM 1288 CB PRO A 76 14.209 1.326 12.821 1.00 25.00 C ATOM 1289 CG PRO A 76 13.308 1.101 11.668 1.00 25.00 C ATOM 1290 CD PRO A 76 14.142 0.337 10.663 1.00 25.00 C ATOM 0 HA PRO A 76 16.028 0.203 13.355 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.645 1.491 13.739 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.835 2.205 12.670 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.425 0.533 11.962 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.956 2.045 11.252 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.536 -0.360 10.084 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.627 1.005 9.951 1.00 25.00 H new ATOM 1298 N VAL A 77 14.703 -0.982 15.062 1.00 25.00 N ATOM 1299 CA VAL A 77 14.068 -1.909 15.993 1.00 25.00 C ATOM 1300 C VAL A 77 12.576 -1.590 16.174 1.00 25.00 C ATOM 1301 O VAL A 77 11.783 -2.469 16.508 1.00 25.00 O ATOM 1302 CB VAL A 77 14.798 -1.934 17.362 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.224 -2.484 17.186 1.00 25.00 C ATOM 1304 CG2 VAL A 77 14.856 -0.534 17.984 1.00 25.00 C ATOM 0 H VAL A 77 15.400 -0.365 15.480 1.00 25.00 H new ATOM 0 HA VAL A 77 14.147 -2.905 15.557 1.00 25.00 H new ATOM 0 HB VAL A 77 14.236 -2.584 18.033 1.00 25.00 H new ATOM 0 HG11 VAL A 77 16.730 -2.498 18.151 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.177 -3.497 16.786 1.00 25.00 H new ATOM 0 HG13 VAL A 77 16.777 -1.847 16.496 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.373 -0.583 18.942 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.393 0.139 17.316 1.00 25.00 H new ATOM 0 HG23 VAL A 77 13.843 -0.162 18.137 1.00 25.00 H new ATOM 1314 N THR A 78 12.164 -0.360 15.872 1.00 25.00 N ATOM 1315 CA THR A 78 10.741 -0.015 15.951 1.00 25.00 C ATOM 1316 C THR A 78 9.961 -0.686 14.835 1.00 25.00 C ATOM 1317 O THR A 78 8.771 -0.904 14.972 1.00 25.00 O ATOM 1318 CB THR A 78 10.467 1.520 15.922 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.107 1.767 16.279 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.720 2.141 14.572 1.00 25.00 C ATOM 0 H THR A 78 12.777 0.400 15.577 1.00 25.00 H new ATOM 0 HA THR A 78 10.404 -0.383 16.920 1.00 25.00 H new ATOM 0 HB THR A 78 11.158 1.973 16.633 1.00 25.00 H new ATOM 0 HG1 THR A 78 8.934 2.732 16.262 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.511 3.210 14.618 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.761 1.987 14.290 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.071 1.676 13.830 1.00 25.00 H new ATOM 1328 N ALA A 79 10.620 -1.076 13.751 1.00 25.00 N ATOM 1329 CA ALA A 79 9.910 -1.762 12.681 1.00 25.00 C ATOM 1330 C ALA A 79 9.366 -3.095 13.200 1.00 25.00 C ATOM 1331 O ALA A 79 8.262 -3.491 12.858 1.00 25.00 O ATOM 1332 CB ALA A 79 10.823 -1.972 11.494 1.00 25.00 C ATOM 0 H ALA A 79 11.617 -0.934 13.591 1.00 25.00 H new ATOM 0 HA ALA A 79 9.072 -1.148 12.352 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.278 -2.486 10.702 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.171 -1.006 11.127 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.679 -2.575 11.796 1.00 25.00 H new ATOM 1338 N PHE A 80 10.116 -3.752 14.074 1.00 25.00 N ATOM 1339 CA PHE A 80 9.664 -5.007 14.676 1.00 25.00 C ATOM 1340 C PHE A 80 8.596 -4.749 15.728 1.00 25.00 C ATOM 1341 O PHE A 80 7.735 -5.582 15.964 1.00 25.00 O ATOM 1342 CB PHE A 80 10.830 -5.738 15.331 1.00 25.00 C ATOM 1343 CG PHE A 80 11.932 -6.072 14.379 1.00 25.00 C ATOM 1344 CD1 PHE A 80 11.913 -7.279 13.657 1.00 25.00 C ATOM 1345 CD2 PHE A 80 12.991 -5.172 14.184 1.00 25.00 C ATOM 1346 CE1 PHE A 80 12.948 -7.587 12.751 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.028 -5.461 13.286 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.005 -6.675 12.558 1.00 25.00 C ATOM 0 H PHE A 80 11.037 -3.442 14.384 1.00 25.00 H new ATOM 0 HA PHE A 80 9.246 -5.622 13.879 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.230 -5.121 16.136 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.463 -6.657 15.787 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.099 -7.975 13.798 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.007 -4.243 14.734 1.00 25.00 H new ATOM 0 HE1 PHE A 80 12.931 -8.519 12.206 1.00 25.00 H new ATOM 0 HE2 PHE A 80 14.840 -4.762 13.150 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.795 -6.901 11.857 1.00 25.00 H new ATOM 1358 N SER A 81 8.649 -3.589 16.359 1.00 25.00 N ATOM 1359 CA SER A 81 7.660 -3.231 17.380 1.00 25.00 C ATOM 1360 C SER A 81 6.326 -2.974 16.690 1.00 25.00 C ATOM 1361 O SER A 81 5.288 -3.494 17.094 1.00 25.00 O ATOM 1362 CB SER A 81 8.106 -1.985 18.152 1.00 25.00 C ATOM 1363 OG SER A 81 7.190 -1.675 19.187 1.00 25.00 O ATOM 0 H SER A 81 9.360 -2.877 16.189 1.00 25.00 H new ATOM 0 HA SER A 81 7.560 -4.048 18.095 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.097 -2.150 18.576 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.188 -1.140 17.469 1.00 25.00 H new ATOM 0 HG SER A 81 7.496 -0.877 19.667 1.00 25.00 H new ATOM 1369 N TYR A 82 6.380 -2.239 15.591 1.00 25.00 N ATOM 1370 CA TYR A 82 5.205 -1.991 14.772 1.00 25.00 C ATOM 1371 C TYR A 82 4.701 -3.294 14.191 1.00 25.00 C ATOM 1372 O TYR A 82 3.515 -3.566 14.205 1.00 25.00 O ATOM 1373 CB TYR A 82 5.551 -1.029 13.638 1.00 25.00 C ATOM 1374 CG TYR A 82 5.222 0.399 13.979 1.00 25.00 C ATOM 1375 CD1 TYR A 82 3.925 0.889 13.760 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.190 1.266 14.538 1.00 25.00 C ATOM 1377 CE1 TYR A 82 3.587 2.228 14.082 1.00 25.00 C ATOM 1378 CE2 TYR A 82 5.860 2.612 14.857 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.555 3.079 14.617 1.00 25.00 C ATOM 1380 OH TYR A 82 4.179 4.366 14.893 1.00 25.00 O ATOM 0 H TYR A 82 7.233 -1.800 15.244 1.00 25.00 H new ATOM 0 HA TYR A 82 4.429 -1.547 15.395 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.613 -1.110 13.408 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.007 -1.320 12.739 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.174 0.237 13.340 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.190 0.902 14.724 1.00 25.00 H new ATOM 0 HE1 TYR A 82 2.583 2.588 13.914 1.00 25.00 H new ATOM 0 HE2 TYR A 82 6.605 3.270 15.280 1.00 25.00 H new ATOM 0 HH TYR A 82 4.942 4.858 15.262 1.00 25.00 H new ATOM 1390 N TRP A 83 5.606 -4.131 13.722 1.00 25.00 N ATOM 1391 CA TRP A 83 5.227 -5.425 13.178 1.00 25.00 C ATOM 1392 C TRP A 83 4.491 -6.269 14.215 1.00 25.00 C ATOM 1393 O TRP A 83 3.529 -6.968 13.893 1.00 25.00 O ATOM 1394 CB TRP A 83 6.482 -6.170 12.737 1.00 25.00 C ATOM 1395 CG TRP A 83 6.206 -7.553 12.281 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.786 -7.952 11.056 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.340 -8.766 13.053 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.637 -9.302 10.993 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.985 -9.843 12.197 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.731 -9.054 14.379 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 6.038 -11.179 12.615 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.787 -10.401 14.801 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.442 -11.452 13.907 1.00 25.00 C ATOM 0 H TRP A 83 6.608 -3.941 13.706 1.00 25.00 H new ATOM 0 HA TRP A 83 4.561 -5.257 12.332 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.961 -5.616 11.930 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.189 -6.201 13.566 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.593 -7.281 10.232 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.317 -9.826 10.178 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.984 -8.256 15.061 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.769 -11.979 11.941 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 7.094 -10.634 15.810 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.497 -12.477 14.243 1.00 25.00 H new ATOM 1414 N ASN A 84 4.943 -6.189 15.459 1.00 25.00 N ATOM 1415 CA ASN A 84 4.368 -6.972 16.550 1.00 25.00 C ATOM 1416 C ASN A 84 2.940 -6.543 16.847 1.00 25.00 C ATOM 1417 O ASN A 84 2.130 -7.361 17.260 1.00 25.00 O ATOM 1418 CB ASN A 84 5.212 -6.850 17.823 1.00 25.00 C ATOM 1419 CG ASN A 84 6.147 -8.018 18.010 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.729 -9.102 18.387 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.403 -7.814 17.744 1.00 25.00 N ATOM 0 H ASN A 84 5.714 -5.584 15.742 1.00 25.00 H new ATOM 0 HA ASN A 84 4.362 -8.013 16.226 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.791 -5.928 17.784 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.552 -6.775 18.687 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.076 -8.573 17.848 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.715 -6.895 17.431 1.00 25.00 H new ATOM 1428 N LEU A 85 2.618 -5.284 16.590 1.00 25.00 N ATOM 1429 CA LEU A 85 1.250 -4.804 16.764 1.00 25.00 C ATOM 1430 C LEU A 85 0.317 -5.506 15.789 1.00 25.00 C ATOM 1431 O LEU A 85 -0.737 -5.982 16.159 1.00 25.00 O ATOM 1432 CB LEU A 85 1.179 -3.294 16.522 1.00 25.00 C ATOM 1433 CG LEU A 85 -0.232 -2.694 16.445 1.00 25.00 C ATOM 1434 CD1 LEU A 85 -1.025 -2.948 17.727 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.104 -1.206 16.152 1.00 25.00 C ATOM 0 H LEU A 85 3.278 -4.579 16.262 1.00 25.00 H new ATOM 0 HA LEU A 85 0.941 -5.022 17.786 1.00 25.00 H new ATOM 0 HB2 LEU A 85 1.724 -2.791 17.321 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.700 -3.070 15.591 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.790 -3.178 15.643 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -2.018 -2.508 17.634 1.00 25.00 H new ATOM 0 HD12 LEU A 85 -1.117 -4.022 17.891 1.00 25.00 H new ATOM 0 HD13 LEU A 85 -0.506 -2.495 18.572 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.097 -0.760 16.093 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.463 -0.726 16.949 1.00 25.00 H new ATOM 0 HD23 LEU A 85 0.414 -1.065 15.203 1.00 25.00 H new ATOM 1447 N ILE A 86 0.686 -5.576 14.525 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.204 -6.211 13.564 1.00 25.00 C ATOM 1449 C ILE A 86 -0.163 -7.724 13.788 1.00 25.00 C ATOM 1450 O ILE A 86 -1.158 -8.422 13.609 1.00 25.00 O ATOM 1451 CB ILE A 86 0.139 -5.846 12.109 1.00 25.00 C ATOM 1452 CG1 ILE A 86 -0.029 -4.334 11.865 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.814 -6.571 11.157 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.213 -3.485 12.122 1.00 25.00 C ATOM 0 H ILE A 86 1.562 -5.217 14.146 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.216 -5.840 13.727 1.00 25.00 H new ATOM 0 HB ILE A 86 1.174 -6.139 11.930 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.344 -4.183 10.832 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.836 -3.968 12.501 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.568 -6.310 10.128 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.714 -7.648 11.292 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.840 -6.272 11.372 1.00 25.00 H new ATOM 0 HD11 ILE A 86 0.986 -2.438 11.920 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.521 -3.596 13.162 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.020 -3.814 11.468 1.00 25.00 H new ATOM 1466 N LYS A 87 0.968 -8.220 14.262 1.00 25.00 N ATOM 1467 CA LYS A 87 1.107 -9.634 14.590 1.00 25.00 C ATOM 1468 C LYS A 87 0.084 -10.024 15.652 1.00 25.00 C ATOM 1469 O LYS A 87 -0.653 -10.978 15.464 1.00 25.00 O ATOM 1470 CB LYS A 87 2.526 -9.891 15.094 1.00 25.00 C ATOM 1471 CG LYS A 87 2.872 -11.323 15.389 1.00 25.00 C ATOM 1472 CD LYS A 87 3.948 -11.351 16.469 1.00 25.00 C ATOM 1473 CE LYS A 87 3.322 -11.562 17.854 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.350 -11.509 18.945 1.00 25.00 N ATOM 0 H LYS A 87 1.807 -7.665 14.430 1.00 25.00 H new ATOM 0 HA LYS A 87 0.926 -10.239 13.702 1.00 25.00 H new ATOM 0 HB2 LYS A 87 3.228 -9.514 14.350 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.679 -9.307 16.001 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.987 -11.865 15.723 1.00 25.00 H new ATOM 0 HG3 LYS A 87 3.229 -11.820 14.487 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.659 -12.151 16.260 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.507 -10.416 16.456 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.565 -10.798 18.031 1.00 25.00 H new ATOM 0 HE3 LYS A 87 2.814 -12.526 17.880 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 3.875 -11.520 19.870 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 4.979 -12.333 18.869 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 4.909 -10.637 18.853 1.00 25.00 H new ATOM 1488 N GLU A 88 0.017 -9.284 16.750 1.00 25.00 N ATOM 1489 CA GLU A 88 -0.945 -9.602 17.809 1.00 25.00 C ATOM 1490 C GLU A 88 -2.373 -9.316 17.332 1.00 25.00 C ATOM 1491 O GLU A 88 -3.307 -10.010 17.722 1.00 25.00 O ATOM 1492 CB GLU A 88 -0.616 -8.841 19.117 1.00 25.00 C ATOM 1493 CG GLU A 88 -0.790 -7.317 19.049 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.294 -6.576 20.291 1.00 25.00 C ATOM 1495 OE1 GLU A 88 0.229 -7.228 21.220 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.391 -5.317 20.314 1.00 25.00 O ATOM 0 H GLU A 88 0.605 -8.471 16.934 1.00 25.00 H new ATOM 0 HA GLU A 88 -0.870 -10.666 18.034 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.252 -9.228 19.913 1.00 25.00 H new ATOM 0 HB3 GLU A 88 0.414 -9.061 19.397 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.256 -6.940 18.177 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -1.845 -7.089 18.900 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.538 -8.338 16.446 1.00 25.00 N ATOM 1504 CA LEU A 89 -3.864 -7.995 15.942 1.00 25.00 C ATOM 1505 C LEU A 89 -4.458 -9.093 15.077 1.00 25.00 C ATOM 1506 O LEU A 89 -5.623 -9.407 15.220 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.836 -6.689 15.151 1.00 25.00 C ATOM 1508 CG LEU A 89 -3.904 -5.381 15.965 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.616 -4.194 15.042 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.272 -5.181 16.629 1.00 25.00 C ATOM 0 H LEU A 89 -1.778 -7.774 16.065 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.498 -7.873 16.820 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -2.923 -6.672 14.556 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.672 -6.698 14.452 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.157 -5.446 16.756 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.663 -3.268 15.615 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.621 -4.303 14.609 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.358 -4.165 14.244 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.271 -4.247 17.191 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.046 -5.143 15.863 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.473 -6.011 17.306 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.679 -9.682 14.180 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.208 -10.740 13.310 1.00 25.00 C ATOM 1524 C ILE A 90 -4.348 -12.035 14.113 1.00 25.00 C ATOM 1525 O ILE A 90 -5.330 -12.763 13.963 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.304 -11.000 12.064 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.185 -9.730 11.200 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.905 -12.136 11.179 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -2.053 -9.801 10.164 1.00 25.00 C ATOM 0 H ILE A 90 -2.696 -9.456 14.032 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.179 -10.405 12.945 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.320 -11.292 12.430 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -4.130 -9.561 10.684 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -3.019 -8.871 11.850 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.262 -12.303 10.315 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.975 -13.054 11.763 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.899 -11.845 10.840 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -2.026 -8.874 9.591 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -1.100 -9.939 10.675 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -2.228 -10.640 9.490 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.384 -12.309 14.982 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.391 -13.537 15.794 1.00 25.00 C ATOM 1543 C ASP A 91 -4.619 -13.569 16.711 1.00 25.00 C ATOM 1544 O ASP A 91 -5.134 -14.634 17.046 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.097 -13.614 16.619 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.793 -15.020 17.118 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.317 -15.412 18.178 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -0.940 -15.700 16.491 1.00 25.00 O ATOM 0 H ASP A 91 -2.582 -11.701 15.149 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.443 -14.402 15.133 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.264 -13.262 16.011 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.176 -12.941 17.472 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.116 -12.389 17.071 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.315 -12.256 17.907 1.00 25.00 C ATOM 1555 C LYS A 92 -7.383 -11.410 17.219 1.00 25.00 C ATOM 1556 O LYS A 92 -8.118 -10.671 17.870 1.00 25.00 O ATOM 1557 CB LYS A 92 -5.930 -11.645 19.267 1.00 25.00 C ATOM 1558 CG LYS A 92 -4.893 -12.468 20.048 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.461 -13.822 20.490 1.00 25.00 C ATOM 1560 CE LYS A 92 -4.378 -14.721 21.054 1.00 25.00 C ATOM 1561 NZ LYS A 92 -4.196 -15.912 20.155 1.00 25.00 N ATOM 0 H LYS A 92 -4.704 -11.498 16.795 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.738 -13.248 18.065 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.536 -10.642 19.105 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -6.829 -11.540 19.875 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.012 -12.628 19.426 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.567 -11.907 20.924 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.234 -13.665 21.242 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -5.937 -14.313 19.641 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -3.441 -14.170 21.139 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -4.648 -15.048 22.058 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -3.696 -16.664 20.672 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -5.127 -16.262 19.849 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -3.639 -15.636 19.321 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.499 -11.537 15.902 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.491 -10.751 15.142 1.00 25.00 C ATOM 1577 C LYS A 93 -9.917 -11.144 15.492 1.00 25.00 C ATOM 1578 O LYS A 93 -10.856 -10.416 15.222 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.262 -10.892 13.631 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.553 -12.277 13.057 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.255 -12.301 11.560 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.579 -13.656 10.935 1.00 25.00 C ATOM 1583 NZ LYS A 93 -10.047 -13.990 11.027 1.00 25.00 N ATOM 0 H LYS A 93 -6.931 -12.166 15.335 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.353 -9.708 15.425 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -8.887 -10.163 13.115 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.226 -10.635 13.411 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.947 -13.025 13.568 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.597 -12.539 13.232 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.835 -11.524 11.062 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.203 -12.068 11.396 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -8.274 -13.654 9.889 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -8.000 -14.432 11.435 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -10.275 -14.742 10.345 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -10.269 -14.316 11.989 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.610 -13.143 10.810 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.053 -12.301 16.113 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.348 -12.848 16.506 1.00 25.00 C ATOM 1599 C GLU A 94 -12.029 -11.979 17.556 1.00 25.00 C ATOM 1600 O GLU A 94 -13.243 -11.850 17.579 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.124 -14.253 17.067 1.00 25.00 C ATOM 1602 CG GLU A 94 -10.171 -15.064 16.201 1.00 25.00 C ATOM 1603 CD GLU A 94 -10.112 -16.525 16.593 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.753 -16.816 17.753 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -10.355 -17.381 15.717 1.00 25.00 O ATOM 0 H GLU A 94 -9.264 -12.896 16.363 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.999 -12.877 15.633 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -10.723 -14.181 18.078 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -12.080 -14.772 17.139 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -10.480 -14.986 15.159 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.172 -14.635 16.270 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.217 -11.362 18.402 1.00 25.00 N ATOM 1613 CA VAL A 95 -11.719 -10.496 19.478 1.00 25.00 C ATOM 1614 C VAL A 95 -11.419 -9.027 19.176 1.00 25.00 C ATOM 1615 O VAL A 95 -11.640 -8.148 19.999 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.116 -10.905 20.859 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.566 -12.327 21.232 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -9.576 -10.842 20.841 1.00 25.00 C ATOM 0 H VAL A 95 -10.201 -11.441 18.370 1.00 25.00 H new ATOM 0 HA VAL A 95 -12.800 -10.624 19.531 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.481 -10.197 21.603 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.140 -12.602 22.197 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.654 -12.360 21.293 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.224 -13.028 20.471 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.189 -11.133 21.817 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.193 -11.523 20.081 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.256 -9.826 20.612 1.00 25.00 H new ATOM 1628 N ASN A 96 -10.942 -8.771 17.967 1.00 25.00 N ATOM 1629 CA ASN A 96 -10.651 -7.411 17.505 1.00 25.00 C ATOM 1630 C ASN A 96 -11.440 -7.165 16.216 1.00 25.00 C ATOM 1631 O ASN A 96 -10.898 -7.277 15.113 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.149 -7.241 17.248 1.00 25.00 C ATOM 1633 CG ASN A 96 -8.374 -6.967 18.504 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -8.340 -5.846 18.978 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -7.725 -7.966 19.029 1.00 25.00 N ATOM 0 H ASN A 96 -10.744 -9.494 17.276 1.00 25.00 H new ATOM 0 HA ASN A 96 -10.943 -6.689 18.268 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -8.761 -8.144 16.776 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -8.995 -6.422 16.545 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -7.162 -7.824 19.868 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -7.779 -8.891 18.602 1.00 25.00 H new ATOM 1642 N PRO A 97 -12.739 -6.836 16.327 1.00 25.00 N ATOM 1643 CA PRO A 97 -13.511 -6.725 15.082 1.00 25.00 C ATOM 1644 C PRO A 97 -13.089 -5.574 14.170 1.00 25.00 C ATOM 1645 O PRO A 97 -13.328 -5.620 12.964 1.00 25.00 O ATOM 1646 CB PRO A 97 -14.948 -6.547 15.586 1.00 25.00 C ATOM 1647 CG PRO A 97 -14.795 -5.914 16.920 1.00 25.00 C ATOM 1648 CD PRO A 97 -13.589 -6.595 17.509 1.00 25.00 C ATOM 0 HA PRO A 97 -13.362 -7.597 14.446 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -15.530 -5.919 14.912 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.466 -7.504 15.657 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -14.645 -4.838 16.836 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -15.680 -6.065 17.538 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.089 -5.966 18.245 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -13.855 -7.525 18.012 1.00 25.00 H new ATOM 1656 N GLN A 98 -12.419 -4.566 14.717 1.00 25.00 N ATOM 1657 CA GLN A 98 -11.944 -3.453 13.905 1.00 25.00 C ATOM 1658 C GLN A 98 -10.905 -3.974 12.940 1.00 25.00 C ATOM 1659 O GLN A 98 -10.966 -3.699 11.750 1.00 25.00 O ATOM 1660 CB GLN A 98 -11.302 -2.353 14.765 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.290 -1.466 15.521 1.00 25.00 C ATOM 1662 CD GLN A 98 -13.039 -2.208 16.613 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -12.507 -3.110 17.241 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -14.278 -1.850 16.821 1.00 25.00 N ATOM 0 H GLN A 98 -12.194 -4.497 15.710 1.00 25.00 H new ATOM 0 HA GLN A 98 -12.798 -3.023 13.381 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -10.632 -2.821 15.486 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -10.688 -1.722 14.122 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -11.752 -0.627 15.963 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -13.008 -1.048 14.815 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -14.688 -1.091 16.276 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -14.835 -2.329 17.528 1.00 25.00 H new ATOM 1673 N VAL A 99 -9.938 -4.729 13.437 1.00 25.00 N ATOM 1674 CA VAL A 99 -8.886 -5.184 12.554 1.00 25.00 C ATOM 1675 C VAL A 99 -9.402 -6.277 11.641 1.00 25.00 C ATOM 1676 O VAL A 99 -8.980 -6.361 10.521 1.00 25.00 O ATOM 1677 CB VAL A 99 -7.599 -5.628 13.296 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -7.727 -7.045 13.858 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -6.402 -5.544 12.343 1.00 25.00 C ATOM 0 H VAL A 99 -9.862 -5.029 14.409 1.00 25.00 H new ATOM 0 HA VAL A 99 -8.591 -4.325 11.952 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.446 -4.955 14.140 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -6.804 -7.318 14.370 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.558 -7.083 14.562 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -7.910 -7.745 13.042 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -5.498 -5.856 12.866 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -6.571 -6.198 11.488 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -6.284 -4.517 11.996 1.00 25.00 H new ATOM 1689 N MET A 100 -10.364 -7.073 12.084 1.00 25.00 N ATOM 1690 CA MET A 100 -10.925 -8.124 11.235 1.00 25.00 C ATOM 1691 C MET A 100 -11.549 -7.512 9.978 1.00 25.00 C ATOM 1692 O MET A 100 -11.359 -8.008 8.869 1.00 25.00 O ATOM 1693 CB MET A 100 -11.984 -8.889 12.016 1.00 25.00 C ATOM 1694 CG MET A 100 -11.858 -10.409 11.958 1.00 25.00 C ATOM 1695 SD MET A 100 -11.683 -11.096 10.288 1.00 25.00 S ATOM 1696 CE MET A 100 -13.318 -10.795 9.574 1.00 25.00 C ATOM 0 H MET A 100 -10.772 -7.016 13.017 1.00 25.00 H new ATOM 0 HA MET A 100 -10.129 -8.805 10.934 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.941 -8.576 13.059 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.967 -8.607 11.638 1.00 25.00 H new ATOM 0 HG2 MET A 100 -10.995 -10.711 12.552 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.738 -10.850 12.427 1.00 25.00 H new ATOM 0 HE1 MET A 100 -13.343 -11.170 8.551 1.00 25.00 H new ATOM 0 HE2 MET A 100 -14.074 -11.309 10.167 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.523 -9.724 9.573 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.234 -6.390 10.146 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.811 -5.674 9.014 1.00 25.00 C ATOM 1708 C ALA A 101 -11.701 -5.126 8.106 1.00 25.00 C ATOM 1709 O ALA A 101 -11.878 -5.003 6.898 1.00 25.00 O ATOM 1710 CB ALA A 101 -13.699 -4.533 9.522 1.00 25.00 C ATOM 0 H ALA A 101 -12.404 -5.955 11.053 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.420 -6.364 8.431 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.128 -4.000 8.673 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.501 -4.942 10.137 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.101 -3.844 10.118 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.556 -4.810 8.693 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.429 -4.284 7.944 1.00 25.00 C ATOM 1718 C ALA A 102 -8.709 -5.420 7.216 1.00 25.00 C ATOM 1719 O ALA A 102 -8.173 -5.202 6.148 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.464 -3.545 8.886 1.00 25.00 C ATOM 0 H ALA A 102 -10.384 -4.911 9.693 1.00 25.00 H new ATOM 0 HA ALA A 102 -9.795 -3.574 7.202 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.623 -3.155 8.313 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -8.988 -2.720 9.369 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.097 -4.235 9.645 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.720 -6.628 7.772 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.088 -7.779 7.111 1.00 25.00 C ATOM 1728 C VAL A 103 -8.816 -8.010 5.799 1.00 25.00 C ATOM 1729 O VAL A 103 -8.196 -8.118 4.740 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.167 -9.079 7.989 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.663 -10.310 7.221 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.339 -8.913 9.269 1.00 25.00 C ATOM 0 H VAL A 103 -9.154 -6.840 8.670 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.032 -7.562 6.952 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.215 -9.232 8.245 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.732 -11.191 7.859 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.274 -10.458 6.330 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.625 -10.156 6.927 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.405 -9.823 9.866 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.298 -8.725 9.007 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.725 -8.072 9.846 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.139 -8.025 5.873 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.962 -8.224 4.692 1.00 25.00 C ATOM 1744 C ALA A 104 -10.744 -7.087 3.690 1.00 25.00 C ATOM 1745 O ALA A 104 -10.477 -7.330 2.521 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.436 -8.315 5.099 1.00 25.00 C ATOM 0 H ALA A 104 -10.664 -7.902 6.739 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.673 -9.158 4.209 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -13.050 -8.464 4.211 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.574 -9.154 5.781 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.734 -7.391 5.595 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.825 -5.850 4.159 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.663 -4.702 3.275 1.00 25.00 C ATOM 1754 C GLN A 105 -9.285 -4.632 2.637 1.00 25.00 C ATOM 1755 O GLN A 105 -9.166 -4.250 1.484 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.915 -3.405 4.035 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.384 -3.064 4.148 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.601 -1.649 4.625 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.165 -0.698 3.995 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.285 -1.500 5.727 1.00 25.00 N ATOM 0 H GLN A 105 -11.000 -5.616 5.136 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.396 -4.829 2.478 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.488 -3.487 5.035 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.395 -2.589 3.533 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.863 -3.197 3.178 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.865 -3.757 4.838 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.633 -2.319 6.226 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.471 -0.565 6.089 1.00 25.00 H new ATOM 1769 N THR A 106 -8.240 -4.990 3.364 1.00 25.00 N ATOM 1770 CA THR A 106 -6.902 -4.923 2.798 1.00 25.00 C ATOM 1771 C THR A 106 -6.785 -5.975 1.699 1.00 25.00 C ATOM 1772 O THR A 106 -6.237 -5.690 0.648 1.00 25.00 O ATOM 1773 CB THR A 106 -5.803 -5.116 3.862 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.013 -4.206 4.940 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.428 -4.822 3.298 1.00 25.00 C ATOM 0 H THR A 106 -8.288 -5.323 4.327 1.00 25.00 H new ATOM 0 HA THR A 106 -6.751 -3.927 2.382 1.00 25.00 H new ATOM 0 HB THR A 106 -5.855 -6.153 4.194 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.595 -4.621 5.610 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.677 -4.968 4.075 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.225 -5.496 2.466 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.391 -3.791 2.947 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.359 -7.158 1.891 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.357 -8.158 0.818 1.00 25.00 C ATOM 1785 C GLU A 107 -8.143 -7.659 -0.396 1.00 25.00 C ATOM 1786 O GLU A 107 -7.715 -7.859 -1.526 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.949 -9.497 1.266 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.986 -10.359 2.074 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.391 -11.835 2.121 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.329 -12.242 1.394 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.722 -12.605 2.847 1.00 25.00 O ATOM 0 H GLU A 107 -7.821 -7.447 2.753 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.312 -8.313 0.551 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.840 -9.307 1.864 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -8.269 -10.054 0.386 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.987 -10.277 1.645 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.929 -9.972 3.091 1.00 25.00 H new ATOM 1798 N GLU A 108 -9.272 -6.997 -0.174 1.00 25.00 N ATOM 1799 CA GLU A 108 -10.068 -6.460 -1.287 1.00 25.00 C ATOM 1800 C GLU A 108 -9.235 -5.461 -2.084 1.00 25.00 C ATOM 1801 O GLU A 108 -9.211 -5.491 -3.312 1.00 25.00 O ATOM 1802 CB GLU A 108 -11.323 -5.733 -0.777 1.00 25.00 C ATOM 1803 CG GLU A 108 -12.402 -6.621 -0.176 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.536 -5.788 0.416 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -14.231 -5.096 -0.358 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.684 -5.743 1.657 1.00 25.00 O ATOM 0 H GLU A 108 -9.659 -6.817 0.752 1.00 25.00 H new ATOM 0 HA GLU A 108 -10.367 -7.301 -1.912 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -11.018 -5.004 -0.026 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.758 -5.174 -1.605 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.798 -7.286 -0.943 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.967 -7.252 0.599 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.550 -4.574 -1.377 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.749 -3.534 -2.020 1.00 25.00 C ATOM 1815 C ILE A 109 -6.547 -4.139 -2.732 1.00 25.00 C ATOM 1816 O ILE A 109 -6.225 -3.732 -3.830 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.273 -2.469 -0.989 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.498 -1.713 -0.431 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.290 -1.462 -1.652 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.262 -1.032 0.913 1.00 25.00 C ATOM 0 H ILE A 109 -8.531 -4.551 -0.357 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.384 -3.041 -2.756 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.751 -2.975 -0.177 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.806 -0.960 -1.157 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.326 -2.414 -0.328 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.970 -0.727 -0.914 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.420 -1.999 -2.031 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.790 -0.954 -2.477 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.174 -0.526 1.229 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.986 -1.780 1.656 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.457 -0.303 0.815 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.900 -5.123 -2.132 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.728 -5.748 -2.748 1.00 25.00 C ATOM 1834 C LEU A 110 -5.103 -6.446 -4.052 1.00 25.00 C ATOM 1835 O LEU A 110 -4.353 -6.403 -5.020 1.00 25.00 O ATOM 1836 CB LEU A 110 -4.114 -6.766 -1.781 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.900 -6.301 -0.953 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -3.052 -4.905 -0.331 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.642 -7.325 0.155 1.00 25.00 C ATOM 0 H LEU A 110 -6.159 -5.509 -1.224 1.00 25.00 H new ATOM 0 HA LEU A 110 -4.002 -4.966 -2.970 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.892 -7.088 -1.089 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.816 -7.643 -2.356 1.00 25.00 H new ATOM 0 HG LEU A 110 -2.061 -6.229 -1.645 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.153 -4.658 0.234 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -3.198 -4.169 -1.121 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.913 -4.896 0.337 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.785 -7.009 0.750 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.521 -7.398 0.795 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.436 -8.298 -0.290 1.00 25.00 H new ATOM 1851 N LYS A 111 -6.268 -7.078 -4.075 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.727 -7.804 -5.262 1.00 25.00 C ATOM 1853 C LYS A 111 -7.261 -6.874 -6.350 1.00 25.00 C ATOM 1854 O LYS A 111 -7.130 -7.163 -7.530 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.794 -8.803 -4.857 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.224 -9.903 -3.974 1.00 25.00 C ATOM 1857 CD LYS A 111 -8.326 -10.653 -3.312 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.775 -11.522 -2.191 1.00 25.00 C ATOM 1859 NZ LYS A 111 -8.849 -12.169 -1.373 1.00 25.00 N ATOM 0 H LYS A 111 -6.916 -7.106 -3.288 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.867 -8.322 -5.686 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.594 -8.287 -4.326 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -8.237 -9.245 -5.749 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.620 -10.584 -4.573 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.565 -9.470 -3.221 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -9.061 -9.955 -2.912 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -8.842 -11.275 -4.043 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.136 -12.295 -2.618 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -7.148 -10.912 -1.541 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.572 -12.166 -0.371 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -9.738 -11.642 -1.488 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.984 -13.150 -1.691 1.00 25.00 H new ATOM 1873 N SER A 112 -7.890 -5.779 -5.946 1.00 25.00 N ATOM 1874 CA SER A 112 -8.464 -4.817 -6.895 1.00 25.00 C ATOM 1875 C SER A 112 -7.437 -3.820 -7.419 1.00 25.00 C ATOM 1876 O SER A 112 -7.378 -3.532 -8.612 1.00 25.00 O ATOM 1877 CB SER A 112 -9.572 -4.015 -6.206 1.00 25.00 C ATOM 1878 OG SER A 112 -10.239 -3.167 -7.127 1.00 25.00 O ATOM 0 H SER A 112 -8.019 -5.528 -4.966 1.00 25.00 H new ATOM 0 HA SER A 112 -8.845 -5.400 -7.734 1.00 25.00 H new ATOM 0 HB2 SER A 112 -10.289 -4.698 -5.751 1.00 25.00 H new ATOM 0 HB3 SER A 112 -9.145 -3.417 -5.401 1.00 25.00 H new ATOM 0 HG SER A 112 -10.942 -2.668 -6.662 1.00 25.00 H new ATOM 1884 N ASN A 113 -6.709 -3.237 -6.476 1.00 25.00 N ATOM 1885 CA ASN A 113 -5.805 -2.109 -6.700 1.00 25.00 C ATOM 1886 C ASN A 113 -6.489 -0.957 -7.455 1.00 25.00 C ATOM 1887 O ASN A 113 -7.721 -0.845 -7.436 1.00 25.00 O ATOM 1888 CB ASN A 113 -4.514 -2.577 -7.374 1.00 25.00 C ATOM 1889 CG ASN A 113 -3.319 -1.836 -6.854 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -2.906 -0.834 -7.416 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -2.815 -2.272 -5.736 1.00 25.00 N ATOM 0 H ASN A 113 -6.730 -3.543 -5.503 1.00 25.00 H new ATOM 0 HA ASN A 113 -5.532 -1.699 -5.728 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -4.382 -3.646 -7.205 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -4.592 -2.432 -8.451 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -2.044 -1.771 -5.295 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -3.192 -3.114 -5.301 1.00 25.00 H new ATOM 1898 N SER A 114 -5.708 -0.070 -8.057 1.00 25.00 N ATOM 1899 CA SER A 114 -6.250 1.045 -8.833 1.00 25.00 C ATOM 1900 C SER A 114 -5.178 1.512 -9.806 1.00 25.00 C ATOM 1901 O SER A 114 -4.047 1.043 -9.750 1.00 25.00 O ATOM 1902 CB SER A 114 -6.659 2.203 -7.924 1.00 25.00 C ATOM 1903 OG SER A 114 -7.461 3.127 -8.642 1.00 25.00 O ATOM 0 H SER A 114 -4.689 -0.099 -8.024 1.00 25.00 H new ATOM 0 HA SER A 114 -7.139 0.712 -9.368 1.00 25.00 H new ATOM 0 HB2 SER A 114 -7.210 1.823 -7.064 1.00 25.00 H new ATOM 0 HB3 SER A 114 -5.771 2.704 -7.538 1.00 25.00 H new ATOM 0 HG SER A 114 -7.137 4.037 -8.479 1.00 25.00 H new ATOM 1909 N GLN A 115 -5.508 2.466 -10.665 1.00 25.00 N ATOM 1910 CA GLN A 115 -4.549 3.001 -11.634 1.00 25.00 C ATOM 1911 C GLN A 115 -3.692 4.121 -11.011 1.00 25.00 C ATOM 1912 O GLN A 115 -3.591 5.226 -11.545 1.00 25.00 O ATOM 1913 CB GLN A 115 -5.291 3.499 -12.876 1.00 25.00 C ATOM 1914 CG GLN A 115 -4.406 3.590 -14.121 1.00 25.00 C ATOM 1915 CD GLN A 115 -5.131 4.188 -15.302 1.00 25.00 C ATOM 1916 OE1 GLN A 115 -6.012 3.578 -15.881 1.00 25.00 O ATOM 1917 NE2 GLN A 115 -4.753 5.383 -15.673 1.00 25.00 N ATOM 0 H GLN A 115 -6.435 2.890 -10.714 1.00 25.00 H new ATOM 0 HA GLN A 115 -3.869 2.202 -11.930 1.00 25.00 H new ATOM 0 HB2 GLN A 115 -6.127 2.831 -13.082 1.00 25.00 H new ATOM 0 HB3 GLN A 115 -5.713 4.482 -12.667 1.00 25.00 H new ATOM 0 HG2 GLN A 115 -3.527 4.193 -13.895 1.00 25.00 H new ATOM 0 HG3 GLN A 115 -4.050 2.594 -14.384 1.00 25.00 H new ATOM 0 HE21 GLN A 115 -4.011 5.864 -15.164 1.00 25.00 H new ATOM 0 HE22 GLN A 115 -5.200 5.834 -16.471 1.00 25.00 H new ATOM 1926 N THR A 116 -3.075 3.796 -9.884 1.00 25.00 N ATOM 1927 CA THR A 116 -2.139 4.684 -9.179 1.00 25.00 C ATOM 1928 C THR A 116 -2.682 6.105 -8.936 1.00 25.00 C ATOM 1929 O THR A 116 -2.129 7.104 -9.395 1.00 25.00 O ATOM 1930 CB THR A 116 -0.834 4.770 -9.963 1.00 25.00 C ATOM 1931 OG1 THR A 116 -0.576 3.508 -10.585 1.00 25.00 O ATOM 1932 CG2 THR A 116 0.352 5.095 -9.059 1.00 25.00 C ATOM 0 H THR A 116 -3.207 2.897 -9.421 1.00 25.00 H new ATOM 0 HA THR A 116 -1.982 4.243 -8.195 1.00 25.00 H new ATOM 0 HB THR A 116 -0.945 5.566 -10.699 1.00 25.00 H new ATOM 0 HG1 THR A 116 0.261 3.558 -11.092 1.00 25.00 H new ATOM 0 HG21 THR A 116 1.262 5.147 -9.657 1.00 25.00 H new ATOM 0 HG22 THR A 116 0.184 6.054 -8.569 1.00 25.00 H new ATOM 0 HG23 THR A 116 0.458 4.316 -8.304 1.00 25.00 H new ATOM 1940 N ASP A 117 -3.772 6.167 -8.192 1.00 25.00 N ATOM 1941 CA ASP A 117 -4.444 7.435 -7.847 1.00 25.00 C ATOM 1942 C ASP A 117 -3.590 8.389 -6.998 1.00 25.00 C ATOM 1943 O ASP A 117 -3.674 8.378 -5.764 1.00 25.00 O ATOM 1944 CB ASP A 117 -5.724 7.158 -7.051 1.00 25.00 C ATOM 1945 CG ASP A 117 -6.776 6.456 -7.861 1.00 25.00 C ATOM 1946 OD1 ASP A 117 -7.132 6.941 -8.947 1.00 25.00 O ATOM 1947 OD2 ASP A 117 -7.279 5.422 -7.376 1.00 25.00 O ATOM 0 H ASP A 117 -4.228 5.342 -7.802 1.00 25.00 H new ATOM 0 HA ASP A 117 -4.645 7.914 -8.805 1.00 25.00 H new ATOM 0 HB2 ASP A 117 -5.479 6.552 -6.179 1.00 25.00 H new ATOM 0 HB3 ASP A 117 -6.127 8.101 -6.681 1.00 25.00 H new ATOM 1952 N LEU A 118 -2.817 9.243 -7.650 1.00 25.00 N ATOM 1953 CA LEU A 118 -1.984 10.248 -6.978 1.00 25.00 C ATOM 1954 C LEU A 118 -2.549 11.628 -7.301 1.00 25.00 C ATOM 1955 O LEU A 118 -3.546 11.724 -8.006 1.00 25.00 O ATOM 1956 CB LEU A 118 -0.534 10.143 -7.476 1.00 25.00 C ATOM 1957 CG LEU A 118 0.180 8.805 -7.212 1.00 25.00 C ATOM 1958 CD1 LEU A 118 1.531 8.805 -7.926 1.00 25.00 C ATOM 1959 CD2 LEU A 118 0.385 8.555 -5.714 1.00 25.00 C ATOM 0 H LEU A 118 -2.744 9.265 -8.667 1.00 25.00 H new ATOM 0 HA LEU A 118 -1.990 10.084 -5.900 1.00 25.00 H new ATOM 0 HB2 LEU A 118 -0.526 10.329 -8.550 1.00 25.00 H new ATOM 0 HB3 LEU A 118 0.047 10.939 -7.010 1.00 25.00 H new ATOM 0 HG LEU A 118 -0.450 8.003 -7.597 1.00 25.00 H new ATOM 0 HD11 LEU A 118 2.040 7.859 -7.742 1.00 25.00 H new ATOM 0 HD12 LEU A 118 1.376 8.931 -8.998 1.00 25.00 H new ATOM 0 HD13 LEU A 118 2.142 9.625 -7.549 1.00 25.00 H new ATOM 0 HD21 LEU A 118 0.892 7.601 -5.570 1.00 25.00 H new ATOM 0 HD22 LEU A 118 0.992 9.356 -5.291 1.00 25.00 H new ATOM 0 HD23 LEU A 118 -0.583 8.531 -5.213 1.00 25.00 H new ATOM 1971 N GLU A 119 -1.913 12.681 -6.787 1.00 25.00 N ATOM 1972 CA GLU A 119 -2.288 14.080 -7.092 1.00 25.00 C ATOM 1973 C GLU A 119 -3.805 14.326 -7.009 1.00 25.00 C ATOM 1974 O GLU A 119 -4.424 14.861 -7.935 1.00 25.00 O ATOM 1975 CB GLU A 119 -1.760 14.470 -8.486 1.00 25.00 C ATOM 1976 CG GLU A 119 -0.256 14.714 -8.533 1.00 25.00 C ATOM 1977 CD GLU A 119 0.094 16.140 -8.123 1.00 25.00 C ATOM 1978 OE1 GLU A 119 0.175 16.413 -6.902 1.00 25.00 O ATOM 1979 OE2 GLU A 119 0.231 17.002 -9.018 1.00 25.00 O ATOM 0 H GLU A 119 -1.123 12.598 -6.147 1.00 25.00 H new ATOM 0 HA GLU A 119 -1.828 14.709 -6.330 1.00 25.00 H new ATOM 0 HB2 GLU A 119 -2.012 13.679 -9.193 1.00 25.00 H new ATOM 0 HB3 GLU A 119 -2.275 15.371 -8.819 1.00 25.00 H new ATOM 0 HG2 GLU A 119 0.248 14.010 -7.871 1.00 25.00 H new ATOM 0 HG3 GLU A 119 0.113 14.524 -9.541 1.00 25.00 H new ATOM 1986 N HIS A 120 -4.413 13.918 -5.900 1.00 25.00 N ATOM 1987 CA HIS A 120 -5.863 14.071 -5.744 1.00 25.00 C ATOM 1988 C HIS A 120 -6.190 15.559 -5.864 1.00 25.00 C ATOM 1989 O HIS A 120 -5.509 16.407 -5.298 1.00 25.00 O ATOM 1990 CB HIS A 120 -6.353 13.483 -4.413 1.00 25.00 C ATOM 1991 CG HIS A 120 -6.242 11.987 -4.341 1.00 25.00 C ATOM 1992 ND1 HIS A 120 -6.910 11.201 -3.392 1.00 25.00 N ATOM 1993 CD2 HIS A 120 -5.544 11.094 -5.094 1.00 25.00 C ATOM 1994 CE1 HIS A 120 -6.596 9.925 -3.598 1.00 25.00 C ATOM 1995 NE2 HIS A 120 -5.772 9.845 -4.609 1.00 25.00 N ATOM 0 H HIS A 120 -3.939 13.486 -5.107 1.00 25.00 H new ATOM 0 HA HIS A 120 -6.384 13.515 -6.524 1.00 25.00 H new ATOM 0 HB2 HIS A 120 -5.778 13.922 -3.598 1.00 25.00 H new ATOM 0 HB3 HIS A 120 -7.393 13.770 -4.259 1.00 25.00 H new ATOM 0 HD2 HIS A 120 -4.914 11.337 -5.937 1.00 25.00 H new ATOM 0 HE1 HIS A 120 -6.963 9.089 -3.022 1.00 25.00 H new ATOM 0 HE2 HIS A 120 -5.366 8.984 -4.975 1.00 25.00 H new ATOM 2003 N HIS A 121 -7.172 15.865 -6.699 1.00 25.00 N ATOM 2004 CA HIS A 121 -7.423 17.242 -7.124 1.00 25.00 C ATOM 2005 C HIS A 121 -7.784 18.196 -5.983 1.00 25.00 C ATOM 2006 O HIS A 121 -8.629 17.887 -5.146 1.00 25.00 O ATOM 2007 CB HIS A 121 -8.542 17.250 -8.175 1.00 25.00 C ATOM 2008 CG HIS A 121 -8.211 18.039 -9.407 1.00 25.00 C ATOM 2009 ND1 HIS A 121 -9.179 18.620 -10.235 1.00 25.00 N ATOM 2010 CD2 HIS A 121 -7.024 18.337 -10.005 1.00 25.00 C ATOM 2011 CE1 HIS A 121 -8.567 19.228 -11.247 1.00 25.00 C ATOM 2012 NE2 HIS A 121 -7.274 19.071 -11.124 1.00 25.00 N ATOM 0 H HIS A 121 -7.812 15.179 -7.099 1.00 25.00 H new ATOM 0 HA HIS A 121 -6.486 17.612 -7.539 1.00 25.00 H new ATOM 0 HB2 HIS A 121 -8.765 16.222 -8.462 1.00 25.00 H new ATOM 0 HB3 HIS A 121 -9.447 17.659 -7.725 1.00 25.00 H new ATOM 0 HD2 HIS A 121 -6.048 18.041 -9.651 1.00 25.00 H new ATOM 0 HE1 HIS A 121 -9.059 19.766 -12.044 1.00 25.00 H new ATOM 0 HE2 HIS A 121 -6.568 19.439 -11.762 1.00 25.00 H new ATOM 2020 N HIS A 122 -7.180 19.387 -6.027 1.00 25.00 N ATOM 2021 CA HIS A 122 -7.401 20.472 -5.045 1.00 25.00 C ATOM 2022 C HIS A 122 -6.879 20.047 -3.661 1.00 25.00 C ATOM 2023 O HIS A 122 -6.311 18.977 -3.528 1.00 25.00 O ATOM 2024 CB HIS A 122 -8.888 20.889 -5.007 1.00 25.00 C ATOM 2025 CG HIS A 122 -9.106 22.369 -5.128 1.00 25.00 C ATOM 2026 ND1 HIS A 122 -8.746 23.116 -6.257 1.00 25.00 N ATOM 2027 CD2 HIS A 122 -9.673 23.275 -4.285 1.00 25.00 C ATOM 2028 CE1 HIS A 122 -9.090 24.384 -6.059 1.00 25.00 C ATOM 2029 NE2 HIS A 122 -9.646 24.499 -4.881 1.00 25.00 N ATOM 0 H HIS A 122 -6.511 19.636 -6.755 1.00 25.00 H new ATOM 0 HA HIS A 122 -6.837 21.352 -5.355 1.00 25.00 H new ATOM 0 HB2 HIS A 122 -9.417 20.386 -5.816 1.00 25.00 H new ATOM 0 HB3 HIS A 122 -9.329 20.541 -4.073 1.00 25.00 H new ATOM 0 HD2 HIS A 122 -10.077 23.059 -3.307 1.00 25.00 H new ATOM 0 HE1 HIS A 122 -8.935 25.191 -6.760 1.00 25.00 H new ATOM 0 HE2 HIS A 122 -10.001 25.364 -4.475 1.00 25.00 H new ATOM 2037 N HIS A 123 -7.016 20.928 -2.664 1.00 25.00 N ATOM 2038 CA HIS A 123 -6.411 20.735 -1.322 1.00 25.00 C ATOM 2039 C HIS A 123 -4.871 20.681 -1.479 1.00 25.00 C ATOM 2040 O HIS A 123 -4.353 20.893 -2.570 1.00 25.00 O ATOM 2041 CB HIS A 123 -6.967 19.462 -0.626 1.00 25.00 C ATOM 2042 CG HIS A 123 -8.001 19.740 0.424 1.00 25.00 C ATOM 2043 ND1 HIS A 123 -7.705 19.889 1.782 1.00 25.00 N ATOM 2044 CD2 HIS A 123 -9.354 19.868 0.353 1.00 25.00 C ATOM 2045 CE1 HIS A 123 -8.834 20.092 2.448 1.00 25.00 C ATOM 2046 NE2 HIS A 123 -9.834 20.088 1.608 1.00 25.00 N ATOM 0 H HIS A 123 -7.546 21.795 -2.754 1.00 25.00 H new ATOM 0 HA HIS A 123 -6.676 21.573 -0.677 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -7.400 18.807 -1.382 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -6.139 18.919 -0.170 1.00 25.00 H new ATOM 0 HD1 HIS A 123 -6.773 19.848 2.194 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -9.947 19.806 -0.547 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -8.914 20.237 3.515 1.00 25.00 H new ATOM 2054 N HIS A 124 -4.154 20.460 -0.383 1.00 25.00 N ATOM 2055 CA HIS A 124 -2.687 20.275 -0.412 1.00 25.00 C ATOM 2056 C HIS A 124 -2.285 19.717 0.938 1.00 25.00 C ATOM 2057 O HIS A 124 -1.562 18.743 1.038 1.00 25.00 O ATOM 2058 CB HIS A 124 -1.922 21.581 -0.679 1.00 25.00 C ATOM 2059 CG HIS A 124 -0.461 21.367 -0.938 1.00 25.00 C ATOM 2060 ND1 HIS A 124 0.039 20.835 -2.132 1.00 25.00 N ATOM 2061 CD2 HIS A 124 0.642 21.580 -0.169 1.00 25.00 C ATOM 2062 CE1 HIS A 124 1.362 20.754 -2.044 1.00 25.00 C ATOM 2063 NE2 HIS A 124 1.742 21.196 -0.874 1.00 25.00 N ATOM 0 H HIS A 124 -4.560 20.402 0.551 1.00 25.00 H new ATOM 0 HA HIS A 124 -2.433 19.601 -1.230 1.00 25.00 H new ATOM 0 HB2 HIS A 124 -2.366 22.086 -1.537 1.00 25.00 H new ATOM 0 HB3 HIS A 124 -2.039 22.245 0.178 1.00 25.00 H new ATOM 0 HD2 HIS A 124 0.644 21.985 0.832 1.00 25.00 H new ATOM 0 HE1 HIS A 124 2.019 20.382 -2.816 1.00 25.00 H new ATOM 0 HE2 HIS A 124 2.706 21.245 -0.543 1.00 25.00 H new ATOM 2071 N HIS A 125 -2.870 20.309 1.967 1.00 25.00 N ATOM 2072 CA HIS A 125 -2.878 19.743 3.305 1.00 25.00 C ATOM 2073 C HIS A 125 -4.369 19.606 3.552 1.00 25.00 C ATOM 2074 O HIS A 125 -4.802 19.228 4.651 1.00 25.00 O ATOM 2075 CB HIS A 125 -2.198 20.665 4.337 1.00 25.00 C ATOM 2076 CG HIS A 125 -2.982 21.901 4.670 1.00 25.00 C ATOM 2077 ND1 HIS A 125 -4.182 21.880 5.386 1.00 25.00 N ATOM 2078 CD2 HIS A 125 -2.756 23.221 4.421 1.00 25.00 C ATOM 2079 CE1 HIS A 125 -4.618 23.125 5.536 1.00 25.00 C ATOM 2080 NE2 HIS A 125 -3.775 23.944 4.964 1.00 25.00 N ATOM 2081 OXT HIS A 125 -5.098 20.060 2.627 1.00 25.00 O ATOM 0 H HIS A 125 -3.356 21.203 1.896 1.00 25.00 H new ATOM 0 HA HIS A 125 -2.321 18.811 3.397 1.00 25.00 H new ATOM 0 HB2 HIS A 125 -2.025 20.100 5.253 1.00 25.00 H new ATOM 0 HB3 HIS A 125 -1.221 20.960 3.955 1.00 25.00 H new ATOM 0 HD1 HIS A 125 -4.648 21.043 5.737 1.00 25.00 H new ATOM 0 HD2 HIS A 125 -1.911 23.626 3.884 1.00 25.00 H new ATOM 0 HE1 HIS A 125 -5.524 23.415 6.048 1.00 25.00 H new TER 2089 HIS A 125