USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=29 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 25:sc= 0.884 USER MOD Set 1.2: A 106 THR OG1 : rot 79:sc= 2.04 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.56 K(o=2.6,f=-2.7) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 172:sc= 1.01 (180deg=0) USER MOD Set 3.1: A 42 CYS SG : rot 2:sc= 1.22 USER MOD Set 3.2: A 62 CYS SG : rot -127:sc= 0.812 USER MOD Set 4.1: A 14 GLN : amide:sc= -0.16 X(o=-0.0085,f=-0.3) USER MOD Set 4.2: A 17 GLN : amide:sc= 0.151 X(o=-0.0085,f=-0.3) USER MOD Set 5.1: A 3 GLN : amide:sc= -0.611 X(o=0.28,f=0.67) USER MOD Set 5.2: A 33 LYS NZ :NH3+ 176:sc= 0.891 (180deg=0.883) USER MOD Single : A 6 SER OG : rot -32:sc= 0.224 USER MOD Single : A 7 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.53 X(o=-0.53,f=-0.37) USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= 0.981 (180deg=0.439) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0536) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0.691 (180deg=0.666) USER MOD Single : A 41 THR OG1 : rot -161:sc= 0.0657 USER MOD Single : A 47 GLN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 50 THR OG1 : rot 67:sc= 0.346 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.00234 K(o=-0.0023,f=-0.83) USER MOD Single : A 69 THR OG1 : rot 66:sc= 0.881 USER MOD Single : A 74 LYS NZ :NH3+ 148:sc= 1.26 (180deg=0.855) USER MOD Single : A 78 THR OG1 : rot -92:sc= 0.0209 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -110:sc= 0.00425 USER MOD Single : A 92 LYS NZ :NH3+ -177:sc= 1.65 (180deg=1.64) USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= -0.0664 (180deg=-0.0793) USER MOD Single : A 96 ASN : amide:sc= 0.786 K(o=0.79,f=0) USER MOD Single : A 98 GLN : amide:sc= 0.0262 K(o=0.026,f=-3!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -179:sc= 0.0654 (180deg=0.0637) USER MOD Single : A 112 SER OG : rot -40:sc= 0.0688 USER MOD Single : A 113 ASN : amide:sc= 0.131 X(o=0.13,f=0) USER MOD Single : A 114 SER OG : rot 50:sc= 0.408 USER MOD Single : A 115 GLN : amide:sc= 0.344 X(o=0.34,f=0) USER MOD Single : A 116 THR OG1 : rot 74:sc= 0.614 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.27) USER MOD Single : A 123 HIS : no HE2:sc= -0.0784 K(o=-0.078,f=-2!) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HE2:sc= 0.266 K(o=0.27,f=-1.2) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.337 0.585 1.083 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.749 1.084 0.897 1.00 25.00 O HETATM 3 C2 MYR A 1 0.984 -0.391 0.109 1.00 25.00 C HETATM 4 C3 MYR A 1 0.593 -1.877 0.409 1.00 25.00 C HETATM 5 C4 MYR A 1 1.359 -2.459 1.642 1.00 25.00 C HETATM 6 C5 MYR A 1 0.985 -3.944 1.980 1.00 25.00 C HETATM 7 C6 MYR A 1 -0.391 -4.119 2.726 1.00 25.00 C HETATM 8 C7 MYR A 1 -0.408 -3.607 4.212 1.00 25.00 C HETATM 9 C8 MYR A 1 0.301 -4.548 5.238 1.00 25.00 C HETATM 10 C9 MYR A 1 -0.552 -5.809 5.628 1.00 25.00 C HETATM 11 C10 MYR A 1 -0.899 -5.884 7.150 1.00 25.00 C HETATM 12 C11 MYR A 1 -2.098 -4.980 7.568 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.460 -5.740 7.567 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.653 -4.825 7.964 1.00 25.00 C HETATM 15 C14 MYR A 1 -4.762 -4.575 9.481 1.00 25.00 C HETATM 0 H143 MYR A 1 -4.896 -5.525 9.998 1.00 25.00 H new HETATM 0 H142 MYR A 1 -3.851 -4.094 9.837 1.00 25.00 H new HETATM 0 H141 MYR A 1 -5.616 -3.929 9.683 1.00 25.00 H new HETATM 0 H132 MYR A 1 -4.551 -3.868 7.453 1.00 25.00 H new HETATM 0 H131 MYR A 1 -5.580 -5.277 7.611 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.640 -6.156 6.576 1.00 25.00 H new HETATM 0 H121 MYR A 1 -3.404 -6.580 8.260 1.00 25.00 H new HETATM 0 H112 MYR A 1 -1.913 -4.577 8.564 1.00 25.00 H new HETATM 0 H111 MYR A 1 -2.161 -4.131 6.887 1.00 25.00 H new HETATM 0 H102 MYR A 1 -1.127 -6.918 7.410 1.00 25.00 H new HETATM 0 H101 MYR A 1 -0.021 -5.596 7.728 1.00 25.00 H new HETATM 0 H92 MYR A 1 -1.478 -5.803 5.053 1.00 25.00 H new HETATM 0 H91 MYR A 1 -0.006 -6.709 5.344 1.00 25.00 H new HETATM 0 H82 MYR A 1 1.252 -4.878 4.819 1.00 25.00 H new HETATM 0 H81 MYR A 1 0.530 -3.981 6.140 1.00 25.00 H new HETATM 0 H72 MYR A 1 0.069 -2.627 4.249 1.00 25.00 H new HETATM 0 H71 MYR A 1 -1.444 -3.469 4.522 1.00 25.00 H new HETATM 0 H62 MYR A 1 -1.161 -3.589 2.166 1.00 25.00 H new HETATM 0 H61 MYR A 1 -0.660 -5.175 2.718 1.00 25.00 H new HETATM 0 H52 MYR A 1 0.957 -4.518 1.054 1.00 25.00 H new HETATM 0 H51 MYR A 1 1.775 -4.373 2.597 1.00 25.00 H new HETATM 0 H42 MYR A 1 2.431 -2.399 1.453 1.00 25.00 H new HETATM 0 H41 MYR A 1 1.153 -1.836 2.512 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.480 -1.938 0.590 1.00 25.00 H new HETATM 0 H31 MYR A 1 0.804 -2.489 -0.468 1.00 25.00 H new HETATM 0 H22 MYR A 1 0.685 -0.137 -0.908 1.00 25.00 H new HETATM 0 H21 MYR A 1 2.068 -0.286 0.159 1.00 25.00 H new ATOM 43 N GLY A 2 1.054 0.864 2.184 1.00 25.00 N ATOM 44 CA GLY A 2 0.584 1.706 3.276 1.00 25.00 C ATOM 45 C GLY A 2 0.252 3.122 2.856 1.00 25.00 C ATOM 46 O GLY A 2 -0.681 3.723 3.395 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.302 1.251 3.718 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.348 1.737 4.053 1.00 25.00 H new ATOM 50 N GLN A 3 0.980 3.662 1.886 1.00 25.00 N ATOM 51 CA GLN A 3 0.726 5.031 1.444 1.00 25.00 C ATOM 52 C GLN A 3 -0.678 5.165 0.873 1.00 25.00 C ATOM 53 O GLN A 3 -1.385 6.116 1.189 1.00 25.00 O ATOM 54 CB GLN A 3 1.739 5.466 0.378 1.00 25.00 C ATOM 55 CG GLN A 3 3.155 5.726 0.908 1.00 25.00 C ATOM 56 CD GLN A 3 3.243 6.885 1.890 1.00 25.00 C ATOM 57 OE1 GLN A 3 4.006 6.836 2.844 1.00 25.00 O ATOM 58 NE2 GLN A 3 2.496 7.935 1.648 1.00 25.00 N ATOM 0 H GLN A 3 1.738 3.185 1.397 1.00 25.00 H new ATOM 0 HA GLN A 3 0.826 5.675 2.318 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.789 4.696 -0.392 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.373 6.373 -0.103 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.522 4.822 1.394 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.817 5.926 0.065 1.00 25.00 H new ATOM 0 HE21 GLN A 3 1.870 7.941 0.842 1.00 25.00 H new ATOM 0 HE22 GLN A 3 2.540 8.746 2.265 1.00 25.00 H new ATOM 67 N GLU A 4 -1.090 4.225 0.035 1.00 25.00 N ATOM 68 CA GLU A 4 -2.405 4.327 -0.589 1.00 25.00 C ATOM 69 C GLU A 4 -3.504 3.930 0.392 1.00 25.00 C ATOM 70 O GLU A 4 -4.617 4.430 0.304 1.00 25.00 O ATOM 71 CB GLU A 4 -2.473 3.508 -1.888 1.00 25.00 C ATOM 72 CG GLU A 4 -2.567 2.003 -1.716 1.00 25.00 C ATOM 73 CD GLU A 4 -2.618 1.277 -3.044 1.00 25.00 C ATOM 74 OE1 GLU A 4 -1.611 1.324 -3.784 1.00 25.00 O ATOM 75 OE2 GLU A 4 -3.652 0.639 -3.344 1.00 25.00 O ATOM 0 H GLU A 4 -0.549 3.400 -0.226 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.570 5.369 -0.861 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -3.337 3.844 -2.462 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.588 3.732 -2.483 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.709 1.650 -1.144 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.458 1.760 -1.137 1.00 25.00 H new ATOM 82 N LEU A 5 -3.183 3.095 1.373 1.00 25.00 N ATOM 83 CA LEU A 5 -4.168 2.707 2.385 1.00 25.00 C ATOM 84 C LEU A 5 -4.588 3.917 3.223 1.00 25.00 C ATOM 85 O LEU A 5 -5.769 4.097 3.498 1.00 25.00 O ATOM 86 CB LEU A 5 -3.615 1.602 3.291 1.00 25.00 C ATOM 87 CG LEU A 5 -3.470 0.201 2.663 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.820 -0.738 3.676 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.806 -0.383 2.206 1.00 25.00 C ATOM 0 H LEU A 5 -2.261 2.676 1.492 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.046 2.320 1.867 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.636 1.916 3.652 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.265 1.519 4.162 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.846 0.303 1.775 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.715 -1.730 3.237 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.836 -0.355 3.948 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.444 -0.800 4.568 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.643 -1.370 1.772 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.477 -0.469 3.061 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.253 0.272 1.458 1.00 25.00 H new ATOM 101 N SER A 6 -3.641 4.779 3.574 1.00 25.00 N ATOM 102 CA SER A 6 -3.953 6.026 4.285 1.00 25.00 C ATOM 103 C SER A 6 -4.761 7.016 3.440 1.00 25.00 C ATOM 104 O SER A 6 -5.302 7.983 3.973 1.00 25.00 O ATOM 105 CB SER A 6 -2.661 6.723 4.718 1.00 25.00 C ATOM 106 OG SER A 6 -2.943 7.797 5.604 1.00 25.00 O ATOM 0 H SER A 6 -2.649 4.643 3.381 1.00 25.00 H new ATOM 0 HA SER A 6 -4.557 5.737 5.145 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.001 6.006 5.206 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.132 7.097 3.841 1.00 25.00 H new ATOM 0 HG SER A 6 -3.807 8.196 5.370 1.00 25.00 H new ATOM 112 N GLN A 7 -4.807 6.803 2.132 1.00 25.00 N ATOM 113 CA GLN A 7 -5.527 7.694 1.218 1.00 25.00 C ATOM 114 C GLN A 7 -6.892 7.111 0.835 1.00 25.00 C ATOM 115 O GLN A 7 -7.746 7.810 0.297 1.00 25.00 O ATOM 116 CB GLN A 7 -4.692 7.899 -0.051 1.00 25.00 C ATOM 117 CG GLN A 7 -3.367 8.636 0.208 1.00 25.00 C ATOM 118 CD GLN A 7 -2.442 8.681 -1.006 1.00 25.00 C ATOM 119 OE1 GLN A 7 -2.867 8.119 -2.110 1.00 25.00 O flip ATOM 120 NE2 GLN A 7 -1.351 9.225 -0.934 1.00 25.00 N flip ATOM 0 H GLN A 7 -4.351 6.015 1.672 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.689 8.646 1.724 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.479 6.928 -0.499 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.278 8.463 -0.777 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.585 9.656 0.526 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -2.846 8.150 1.033 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.051 9.653 -0.058 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -0.739 9.251 -1.750 1.00 25.00 H new ATOM 129 N HIS A 8 -7.082 5.825 1.085 1.00 25.00 N ATOM 130 CA HIS A 8 -8.312 5.136 0.702 1.00 25.00 C ATOM 131 C HIS A 8 -9.385 5.357 1.766 1.00 25.00 C ATOM 132 O HIS A 8 -9.469 4.609 2.723 1.00 25.00 O ATOM 133 CB HIS A 8 -8.026 3.640 0.525 1.00 25.00 C ATOM 134 CG HIS A 8 -9.077 2.915 -0.256 1.00 25.00 C ATOM 135 ND1 HIS A 8 -9.067 2.781 -1.621 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.200 2.267 0.153 1.00 25.00 C ATOM 137 CE1 HIS A 8 -10.143 2.091 -1.980 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.876 1.756 -0.938 1.00 25.00 N ATOM 0 H HIS A 8 -6.398 5.231 1.554 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.677 5.539 -0.243 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.066 3.520 0.024 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.933 3.178 1.508 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -8.355 3.148 -2.252 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.517 2.166 1.180 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -10.387 1.836 -3.001 1.00 25.00 H new ATOM 146 N GLU A 9 -10.184 6.403 1.619 1.00 25.00 N ATOM 147 CA GLU A 9 -11.143 6.816 2.660 1.00 25.00 C ATOM 148 C GLU A 9 -12.040 5.703 3.245 1.00 25.00 C ATOM 149 O GLU A 9 -12.271 5.673 4.450 1.00 25.00 O ATOM 150 CB GLU A 9 -11.994 7.979 2.133 1.00 25.00 C ATOM 151 CG GLU A 9 -12.911 7.621 0.967 1.00 25.00 C ATOM 152 CD GLU A 9 -13.468 8.855 0.278 1.00 25.00 C ATOM 153 OE1 GLU A 9 -14.043 9.723 0.963 1.00 25.00 O ATOM 154 OE2 GLU A 9 -13.315 8.953 -0.958 1.00 25.00 O ATOM 0 H GLU A 9 -10.195 6.992 0.786 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.530 7.123 3.508 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.602 8.366 2.951 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -11.330 8.785 1.821 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -12.359 7.020 0.244 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -13.735 7.006 1.330 1.00 25.00 H new ATOM 161 N ARG A 10 -12.474 4.747 2.426 1.00 25.00 N ATOM 162 CA ARG A 10 -13.284 3.617 2.922 1.00 25.00 C ATOM 163 C ARG A 10 -12.514 2.819 3.967 1.00 25.00 C ATOM 164 O ARG A 10 -13.035 2.442 5.014 1.00 25.00 O ATOM 165 CB ARG A 10 -13.618 2.660 1.776 1.00 25.00 C ATOM 166 CG ARG A 10 -14.576 3.194 0.719 1.00 25.00 C ATOM 167 CD ARG A 10 -14.477 2.327 -0.542 1.00 25.00 C ATOM 168 NE ARG A 10 -14.654 0.892 -0.240 1.00 25.00 N ATOM 169 CZ ARG A 10 -14.215 -0.116 -0.991 1.00 25.00 C ATOM 170 NH1 ARG A 10 -13.579 0.077 -2.121 1.00 25.00 N ATOM 171 NH2 ARG A 10 -14.415 -1.341 -0.592 1.00 25.00 N ATOM 0 H ARG A 10 -12.285 4.724 1.424 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.193 4.034 3.356 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -12.688 2.375 1.284 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.046 1.752 2.200 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.597 3.186 1.100 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.333 4.230 0.482 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.234 2.643 -1.260 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -13.506 2.482 -1.013 1.00 25.00 H new ATOM 0 HE ARG A 10 -15.155 0.653 0.616 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -13.405 1.026 -2.453 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -13.258 -0.722 -2.668 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -14.903 -1.518 0.286 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -14.084 -2.122 -1.158 1.00 25.00 H new ATOM 185 N TYR A 11 -11.264 2.556 3.640 1.00 25.00 N ATOM 186 CA TYR A 11 -10.374 1.775 4.480 1.00 25.00 C ATOM 187 C TYR A 11 -10.007 2.570 5.718 1.00 25.00 C ATOM 188 O TYR A 11 -9.989 2.046 6.840 1.00 25.00 O ATOM 189 CB TYR A 11 -9.113 1.470 3.680 1.00 25.00 C ATOM 190 CG TYR A 11 -8.136 0.602 4.398 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.315 -0.785 4.430 1.00 25.00 C ATOM 192 CD2 TYR A 11 -7.010 1.156 5.039 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.391 -1.613 5.075 1.00 25.00 C ATOM 194 CE2 TYR A 11 -6.074 0.322 5.690 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.270 -1.056 5.695 1.00 25.00 C ATOM 196 OH TYR A 11 -5.352 -1.866 6.301 1.00 25.00 O ATOM 0 H TYR A 11 -10.832 2.881 2.775 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.863 0.851 4.788 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.396 0.986 2.745 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.625 2.409 3.417 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.178 -1.222 3.950 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.862 2.226 5.033 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.544 -2.682 5.094 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.212 0.751 6.180 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.386 -2.758 5.897 1.00 25.00 H new ATOM 206 N VAL A 12 -9.728 3.848 5.504 1.00 25.00 N ATOM 207 CA VAL A 12 -9.347 4.758 6.578 1.00 25.00 C ATOM 208 C VAL A 12 -10.404 4.781 7.674 1.00 25.00 C ATOM 209 O VAL A 12 -10.045 4.802 8.833 1.00 25.00 O ATOM 210 CB VAL A 12 -9.091 6.204 6.036 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.861 7.211 7.178 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.859 6.215 5.128 1.00 25.00 C ATOM 0 H VAL A 12 -9.759 4.284 4.582 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.415 4.387 7.005 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.981 6.499 5.480 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.687 8.202 6.759 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.740 7.238 7.822 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.993 6.906 7.762 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.690 7.226 4.756 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.987 5.886 5.693 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.021 5.541 4.287 1.00 25.00 H new ATOM 222 N GLU A 13 -11.689 4.719 7.352 1.00 25.00 N ATOM 223 CA GLU A 13 -12.714 4.726 8.408 1.00 25.00 C ATOM 224 C GLU A 13 -12.564 3.571 9.406 1.00 25.00 C ATOM 225 O GLU A 13 -12.674 3.777 10.619 1.00 25.00 O ATOM 226 CB GLU A 13 -14.127 4.697 7.815 1.00 25.00 C ATOM 227 CG GLU A 13 -14.552 6.016 7.175 1.00 25.00 C ATOM 228 CD GLU A 13 -14.357 7.203 8.113 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.732 7.116 9.312 1.00 25.00 O ATOM 230 OE2 GLU A 13 -13.732 8.198 7.690 1.00 25.00 O ATOM 0 H GLU A 13 -12.048 4.665 6.399 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.561 5.658 8.952 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -14.181 3.906 7.067 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.836 4.440 8.602 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.976 6.177 6.264 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.600 5.955 6.883 1.00 25.00 H new ATOM 237 N GLN A 14 -12.267 2.371 8.933 1.00 25.00 N ATOM 238 CA GLN A 14 -12.070 1.244 9.848 1.00 25.00 C ATOM 239 C GLN A 14 -10.717 1.339 10.544 1.00 25.00 C ATOM 240 O GLN A 14 -10.603 1.074 11.741 1.00 25.00 O ATOM 241 CB GLN A 14 -12.173 -0.092 9.108 1.00 25.00 C ATOM 242 CG GLN A 14 -13.594 -0.430 8.659 1.00 25.00 C ATOM 243 CD GLN A 14 -14.588 -0.423 9.812 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.557 0.313 9.796 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.338 -1.224 10.818 1.00 25.00 N ATOM 0 H GLN A 14 -12.158 2.148 7.944 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.860 1.291 10.598 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.521 -0.066 8.235 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.806 -0.887 9.757 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.913 0.288 7.904 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.598 -1.412 8.186 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.516 -1.828 10.797 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.965 -1.244 11.622 1.00 25.00 H new ATOM 254 N LEU A 15 -9.695 1.750 9.814 1.00 25.00 N ATOM 255 CA LEU A 15 -8.353 1.883 10.383 1.00 25.00 C ATOM 256 C LEU A 15 -8.310 3.002 11.443 1.00 25.00 C ATOM 257 O LEU A 15 -7.595 2.908 12.439 1.00 25.00 O ATOM 258 CB LEU A 15 -7.355 2.145 9.247 1.00 25.00 C ATOM 259 CG LEU A 15 -6.096 1.265 9.139 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.124 1.559 10.241 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.432 -0.223 9.141 1.00 25.00 C ATOM 0 H LEU A 15 -9.762 1.999 8.827 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.079 0.958 10.890 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.898 2.059 8.306 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.026 3.181 9.331 1.00 25.00 H new ATOM 0 HG LEU A 15 -5.635 1.511 8.183 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.248 0.920 10.133 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -4.819 2.604 10.188 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.597 1.367 11.204 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.513 -0.804 9.063 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -6.945 -0.479 10.068 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.078 -0.451 8.293 1.00 25.00 H new ATOM 273 N LYS A 16 -9.159 4.007 11.272 1.00 25.00 N ATOM 274 CA LYS A 16 -9.333 5.100 12.242 1.00 25.00 C ATOM 275 C LYS A 16 -9.827 4.544 13.564 1.00 25.00 C ATOM 276 O LYS A 16 -9.358 4.943 14.629 1.00 25.00 O ATOM 277 CB LYS A 16 -10.350 6.103 11.676 1.00 25.00 C ATOM 278 CG LYS A 16 -10.588 7.364 12.495 1.00 25.00 C ATOM 279 CD LYS A 16 -11.872 8.086 12.021 1.00 25.00 C ATOM 280 CE LYS A 16 -11.789 8.562 10.558 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.053 9.256 10.132 1.00 25.00 N ATOM 0 H LYS A 16 -9.756 4.095 10.450 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.380 5.600 12.413 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -10.019 6.400 10.681 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.304 5.590 11.555 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.677 7.107 13.551 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.732 8.033 12.401 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.722 7.413 12.131 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.059 8.944 12.667 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.944 9.240 10.442 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.604 7.708 9.906 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.191 9.129 9.109 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.862 8.849 10.643 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -12.982 10.271 10.349 1.00 25.00 H new ATOM 295 N GLN A 17 -10.757 3.608 13.499 1.00 25.00 N ATOM 296 CA GLN A 17 -11.281 2.977 14.705 1.00 25.00 C ATOM 297 C GLN A 17 -10.215 2.066 15.303 1.00 25.00 C ATOM 298 O GLN A 17 -10.060 1.992 16.516 1.00 25.00 O ATOM 299 CB GLN A 17 -12.519 2.143 14.378 1.00 25.00 C ATOM 300 CG GLN A 17 -13.689 2.929 13.815 1.00 25.00 C ATOM 301 CD GLN A 17 -14.721 2.012 13.199 1.00 25.00 C ATOM 302 OE1 GLN A 17 -15.141 1.041 13.811 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.093 2.288 11.982 1.00 25.00 N ATOM 0 H GLN A 17 -11.166 3.267 12.629 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.553 3.757 15.416 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.240 1.371 13.661 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.845 1.633 15.284 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.150 3.518 14.608 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.330 3.632 13.064 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -14.717 3.109 11.508 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.760 1.683 11.503 1.00 25.00 H new ATOM 312 N ALA A 18 -9.481 1.372 14.446 1.00 25.00 N ATOM 313 CA ALA A 18 -8.469 0.424 14.894 1.00 25.00 C ATOM 314 C ALA A 18 -7.301 1.094 15.646 1.00 25.00 C ATOM 315 O ALA A 18 -6.895 0.605 16.699 1.00 25.00 O ATOM 316 CB ALA A 18 -7.969 -0.391 13.710 1.00 25.00 C ATOM 0 H ALA A 18 -9.567 1.447 13.432 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.942 -0.240 15.617 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.212 -1.099 14.049 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.802 -0.936 13.265 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.534 0.277 12.966 1.00 25.00 H new ATOM 322 N LEU A 19 -6.792 2.223 15.157 1.00 25.00 N ATOM 323 CA LEU A 19 -5.723 2.931 15.883 1.00 25.00 C ATOM 324 C LEU A 19 -6.257 3.368 17.248 1.00 25.00 C ATOM 325 O LEU A 19 -5.571 3.253 18.264 1.00 25.00 O ATOM 326 CB LEU A 19 -5.217 4.180 15.128 1.00 25.00 C ATOM 327 CG LEU A 19 -3.955 4.011 14.251 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.319 3.515 12.875 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.177 5.327 14.112 1.00 25.00 C ATOM 0 H LEU A 19 -7.088 2.663 14.286 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.884 2.242 15.983 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.025 4.541 14.492 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.017 4.961 15.862 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.322 3.279 14.752 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.414 3.404 12.277 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.820 2.551 12.957 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -4.986 4.231 12.395 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.298 5.166 13.489 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -3.816 6.080 13.651 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.865 5.671 15.098 1.00 25.00 H new ATOM 341 N LYS A 20 -7.491 3.854 17.273 1.00 25.00 N ATOM 342 CA LYS A 20 -8.091 4.337 18.519 1.00 25.00 C ATOM 343 C LYS A 20 -8.326 3.228 19.533 1.00 25.00 C ATOM 344 O LYS A 20 -8.054 3.419 20.706 1.00 25.00 O ATOM 345 CB LYS A 20 -9.423 5.036 18.244 1.00 25.00 C ATOM 346 CG LYS A 20 -9.283 6.418 17.627 1.00 25.00 C ATOM 347 CD LYS A 20 -10.659 7.024 17.384 1.00 25.00 C ATOM 348 CE LYS A 20 -10.551 8.413 16.771 1.00 25.00 C ATOM 349 NZ LYS A 20 -11.911 9.048 16.637 1.00 25.00 N ATOM 0 H LYS A 20 -8.095 3.926 16.454 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.373 5.039 18.943 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -10.018 4.411 17.578 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.976 5.122 19.179 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.704 7.063 18.288 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.735 6.351 16.687 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.233 6.375 16.722 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.205 7.081 18.326 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -9.912 9.040 17.392 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -10.078 8.347 15.791 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -11.812 9.994 16.217 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.511 8.458 16.025 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.350 9.130 17.576 1.00 25.00 H new ATOM 363 N THR A 21 -8.827 2.080 19.099 1.00 25.00 N ATOM 364 CA THR A 21 -9.126 0.995 20.039 1.00 25.00 C ATOM 365 C THR A 21 -7.847 0.322 20.537 1.00 25.00 C ATOM 366 O THR A 21 -7.838 -0.287 21.600 1.00 25.00 O ATOM 367 CB THR A 21 -10.118 -0.052 19.440 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.699 -0.812 20.500 1.00 25.00 O ATOM 369 CG2 THR A 21 -9.445 -1.018 18.477 1.00 25.00 C ATOM 0 H THR A 21 -9.034 1.872 18.122 1.00 25.00 H new ATOM 0 HA THR A 21 -9.623 1.450 20.896 1.00 25.00 H new ATOM 0 HB THR A 21 -10.872 0.507 18.886 1.00 25.00 H new ATOM 0 HG1 THR A 21 -11.323 -1.469 20.127 1.00 25.00 H new ATOM 0 HG21 THR A 21 -10.183 -1.722 18.093 1.00 25.00 H new ATOM 0 HG22 THR A 21 -9.009 -0.461 17.648 1.00 25.00 H new ATOM 0 HG23 THR A 21 -8.660 -1.565 18.999 1.00 25.00 H new ATOM 377 N ARG A 22 -6.751 0.475 19.801 1.00 25.00 N ATOM 378 CA ARG A 22 -5.452 -0.022 20.264 1.00 25.00 C ATOM 379 C ARG A 22 -4.871 0.958 21.286 1.00 25.00 C ATOM 380 O ARG A 22 -4.065 0.587 22.126 1.00 25.00 O ATOM 381 CB ARG A 22 -4.498 -0.207 19.073 1.00 25.00 C ATOM 382 CG ARG A 22 -3.231 -1.034 19.381 1.00 25.00 C ATOM 383 CD ARG A 22 -3.395 -2.510 18.998 1.00 25.00 C ATOM 384 NE ARG A 22 -4.454 -3.178 19.778 1.00 25.00 N ATOM 385 CZ ARG A 22 -4.264 -3.926 20.862 1.00 25.00 C ATOM 386 NH1 ARG A 22 -3.081 -4.188 21.346 1.00 25.00 N ATOM 387 NH2 ARG A 22 -5.302 -4.435 21.466 1.00 25.00 N ATOM 0 H ARG A 22 -6.731 0.934 18.890 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.581 -0.993 20.742 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -5.042 -0.690 18.261 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -4.195 0.776 18.712 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.384 -0.612 18.840 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -3.000 -0.960 20.444 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.628 -2.583 17.936 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.450 -3.030 19.153 1.00 25.00 H new ATOM 0 HE ARG A 22 -5.415 -3.056 19.459 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -2.249 -3.814 20.890 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -2.988 -4.767 22.180 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -6.240 -4.257 21.106 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -5.176 -5.011 22.298 1.00 25.00 H new ATOM 401 N GLY A 23 -5.278 2.217 21.190 1.00 25.00 N ATOM 402 CA GLY A 23 -4.791 3.249 22.098 1.00 25.00 C ATOM 403 C GLY A 23 -3.363 3.648 21.782 1.00 25.00 C ATOM 404 O GLY A 23 -2.691 4.328 22.568 1.00 25.00 O ATOM 0 H GLY A 23 -5.944 2.549 20.493 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.436 4.125 22.032 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.849 2.887 23.124 1.00 25.00 H new ATOM 408 N VAL A 24 -2.888 3.186 20.636 1.00 25.00 N ATOM 409 CA VAL A 24 -1.507 3.396 20.224 1.00 25.00 C ATOM 410 C VAL A 24 -1.290 4.875 19.896 1.00 25.00 C ATOM 411 O VAL A 24 -2.085 5.503 19.195 1.00 25.00 O ATOM 412 CB VAL A 24 -1.135 2.449 19.025 1.00 25.00 C ATOM 413 CG1 VAL A 24 -2.066 2.650 17.813 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.317 2.633 18.617 1.00 25.00 C ATOM 0 H VAL A 24 -3.446 2.656 19.966 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.835 3.137 21.042 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.273 1.426 19.375 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -1.770 1.974 17.011 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -3.094 2.438 18.105 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -1.993 3.680 17.465 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.549 1.967 17.786 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.481 3.666 18.310 1.00 25.00 H new ATOM 0 HG23 VAL A 24 0.965 2.398 19.462 1.00 25.00 H new ATOM 424 N LYS A 25 -0.230 5.451 20.450 1.00 25.00 N ATOM 425 CA LYS A 25 0.043 6.871 20.245 1.00 25.00 C ATOM 426 C LYS A 25 1.051 7.009 19.114 1.00 25.00 C ATOM 427 O LYS A 25 2.246 7.133 19.344 1.00 25.00 O ATOM 428 CB LYS A 25 0.594 7.479 21.543 1.00 25.00 C ATOM 429 CG LYS A 25 -0.314 7.224 22.745 1.00 25.00 C ATOM 430 CD LYS A 25 0.191 7.928 23.996 1.00 25.00 C ATOM 431 CE LYS A 25 -0.513 7.389 25.246 1.00 25.00 C ATOM 432 NZ LYS A 25 -2.014 7.469 25.144 1.00 25.00 N ATOM 0 H LYS A 25 0.448 4.966 21.038 1.00 25.00 H new ATOM 0 HA LYS A 25 -0.871 7.403 19.980 1.00 25.00 H new ATOM 0 HB2 LYS A 25 1.581 7.063 21.744 1.00 25.00 H new ATOM 0 HB3 LYS A 25 0.722 8.553 21.411 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -1.323 7.568 22.517 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -0.377 6.152 22.932 1.00 25.00 H new ATOM 0 HD2 LYS A 25 1.268 7.785 24.089 1.00 25.00 H new ATOM 0 HD3 LYS A 25 0.018 9.001 23.910 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -0.218 6.352 25.406 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -0.181 7.953 26.118 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -2.437 7.254 26.070 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -2.291 8.427 24.851 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -2.351 6.781 24.441 1.00 25.00 H new ATOM 446 N VAL A 26 0.538 7.006 17.895 1.00 25.00 N ATOM 447 CA VAL A 26 1.352 7.090 16.682 1.00 25.00 C ATOM 448 C VAL A 26 0.538 7.918 15.688 1.00 25.00 C ATOM 449 O VAL A 26 -0.688 7.817 15.650 1.00 25.00 O ATOM 450 CB VAL A 26 1.654 5.648 16.109 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.184 5.704 14.691 1.00 25.00 C ATOM 452 CG2 VAL A 26 2.695 4.923 16.984 1.00 25.00 C ATOM 0 H VAL A 26 -0.464 6.945 17.712 1.00 25.00 H new ATOM 0 HA VAL A 26 2.320 7.551 16.880 1.00 25.00 H new ATOM 0 HB VAL A 26 0.709 5.106 16.116 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.379 4.692 14.335 1.00 25.00 H new ATOM 0 HG12 VAL A 26 1.446 6.180 14.045 1.00 25.00 H new ATOM 0 HG13 VAL A 26 3.109 6.280 14.671 1.00 25.00 H new ATOM 0 HG21 VAL A 26 2.889 3.932 16.573 1.00 25.00 H new ATOM 0 HG22 VAL A 26 3.621 5.498 16.999 1.00 25.00 H new ATOM 0 HG23 VAL A 26 2.312 4.826 18.000 1.00 25.00 H new ATOM 462 N LYS A 27 1.210 8.762 14.914 1.00 25.00 N ATOM 463 CA LYS A 27 0.541 9.591 13.907 1.00 25.00 C ATOM 464 C LYS A 27 -0.027 8.657 12.837 1.00 25.00 C ATOM 465 O LYS A 27 0.616 7.703 12.463 1.00 25.00 O ATOM 466 CB LYS A 27 1.561 10.563 13.299 1.00 25.00 C ATOM 467 CG LYS A 27 0.979 11.603 12.336 1.00 25.00 C ATOM 468 CD LYS A 27 2.088 12.384 11.608 1.00 25.00 C ATOM 469 CE LYS A 27 2.929 13.245 12.567 1.00 25.00 C ATOM 470 NZ LYS A 27 3.968 14.048 11.827 1.00 25.00 N ATOM 0 H LYS A 27 2.220 8.894 14.961 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.267 10.176 14.347 1.00 25.00 H new ATOM 0 HB2 LYS A 27 2.068 11.086 14.110 1.00 25.00 H new ATOM 0 HB3 LYS A 27 2.318 9.985 12.770 1.00 25.00 H new ATOM 0 HG2 LYS A 27 0.343 11.106 11.604 1.00 25.00 H new ATOM 0 HG3 LYS A 27 0.347 12.298 12.889 1.00 25.00 H new ATOM 0 HD2 LYS A 27 2.740 11.683 11.088 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.639 13.024 10.849 1.00 25.00 H new ATOM 0 HE2 LYS A 27 2.275 13.918 13.121 1.00 25.00 H new ATOM 0 HE3 LYS A 27 3.418 12.603 13.299 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 4.516 14.616 12.505 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 4.607 13.404 11.319 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 3.499 14.679 11.146 1.00 25.00 H new ATOM 484 N PHE A 28 -1.216 8.937 12.333 1.00 25.00 N ATOM 485 CA PHE A 28 -1.857 8.057 11.347 1.00 25.00 C ATOM 486 C PHE A 28 -0.988 7.756 10.126 1.00 25.00 C ATOM 487 O PHE A 28 -0.797 6.602 9.773 1.00 25.00 O ATOM 488 CB PHE A 28 -3.176 8.694 10.907 1.00 25.00 C ATOM 489 CG PHE A 28 -4.181 7.705 10.424 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.022 7.062 11.346 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.300 7.394 9.057 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.959 6.111 10.923 1.00 25.00 C ATOM 493 CE2 PHE A 28 -5.253 6.444 8.622 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.077 5.802 9.568 1.00 25.00 C ATOM 0 H PHE A 28 -1.763 9.761 12.583 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.024 7.096 11.834 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.598 9.251 11.743 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.976 9.414 10.114 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.945 7.304 12.396 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -3.661 7.883 8.337 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.591 5.617 11.646 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -5.349 6.212 7.572 1.00 25.00 H new ATOM 0 HZ PHE A 28 -6.801 5.069 9.243 1.00 25.00 H new ATOM 504 N ALA A 29 -0.425 8.790 9.517 1.00 25.00 N ATOM 505 CA ALA A 29 0.438 8.605 8.353 1.00 25.00 C ATOM 506 C ALA A 29 1.698 7.802 8.709 1.00 25.00 C ATOM 507 O ALA A 29 2.210 7.059 7.896 1.00 25.00 O ATOM 508 CB ALA A 29 0.826 9.972 7.774 1.00 25.00 C ATOM 0 H ALA A 29 -0.547 9.761 9.805 1.00 25.00 H new ATOM 0 HA ALA A 29 -0.116 8.037 7.605 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.470 9.830 6.906 1.00 25.00 H new ATOM 0 HB2 ALA A 29 -0.074 10.509 7.474 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.358 10.549 8.530 1.00 25.00 H new ATOM 514 N ASP A 30 2.175 7.956 9.936 1.00 25.00 N ATOM 515 CA ASP A 30 3.367 7.241 10.400 1.00 25.00 C ATOM 516 C ASP A 30 3.043 5.760 10.594 1.00 25.00 C ATOM 517 O ASP A 30 3.831 4.897 10.248 1.00 25.00 O ATOM 518 CB ASP A 30 3.848 7.855 11.719 1.00 25.00 C ATOM 519 CG ASP A 30 5.196 7.324 12.166 1.00 25.00 C ATOM 520 OD1 ASP A 30 6.044 7.012 11.312 1.00 25.00 O ATOM 521 OD2 ASP A 30 5.437 7.340 13.393 1.00 25.00 O ATOM 0 H ASP A 30 1.757 8.571 10.634 1.00 25.00 H new ATOM 0 HA ASP A 30 4.157 7.330 9.655 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.909 8.938 11.608 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.110 7.656 12.496 1.00 25.00 H new ATOM 526 N LEU A 31 1.849 5.462 11.094 1.00 25.00 N ATOM 527 CA LEU A 31 1.443 4.070 11.287 1.00 25.00 C ATOM 528 C LEU A 31 1.409 3.375 9.937 1.00 25.00 C ATOM 529 O LEU A 31 2.016 2.320 9.734 1.00 25.00 O ATOM 530 CB LEU A 31 0.065 3.984 11.972 1.00 25.00 C ATOM 531 CG LEU A 31 -0.490 2.590 12.348 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.269 1.953 11.199 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.596 1.625 12.803 1.00 25.00 C ATOM 0 H LEU A 31 1.152 6.153 11.371 1.00 25.00 H new ATOM 0 HA LEU A 31 2.164 3.575 11.938 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.111 4.579 12.884 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.661 4.463 11.316 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.165 2.770 13.185 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.640 0.976 11.508 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.110 2.592 10.931 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.614 1.836 10.336 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.147 0.664 13.053 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.321 1.489 12.001 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.099 2.031 13.681 1.00 25.00 H new ATOM 545 N LEU A 32 0.711 3.986 8.996 1.00 25.00 N ATOM 546 CA LEU A 32 0.619 3.415 7.655 1.00 25.00 C ATOM 547 C LEU A 32 1.952 3.429 6.924 1.00 25.00 C ATOM 548 O LEU A 32 2.160 2.642 6.018 1.00 25.00 O ATOM 549 CB LEU A 32 -0.422 4.141 6.801 1.00 25.00 C ATOM 550 CG LEU A 32 -1.896 3.723 6.951 1.00 25.00 C ATOM 551 CD1 LEU A 32 -2.106 2.208 6.884 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.457 4.270 8.234 1.00 25.00 C ATOM 0 H LEU A 32 0.206 4.863 9.127 1.00 25.00 H new ATOM 0 HA LEU A 32 0.312 2.379 7.798 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.352 5.206 7.023 1.00 25.00 H new ATOM 0 HB3 LEU A 32 -0.143 4.014 5.755 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.430 4.146 6.100 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.166 1.982 6.996 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.756 1.834 5.922 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.546 1.727 7.686 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.500 3.970 8.332 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.886 3.880 9.076 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.392 5.358 8.225 1.00 25.00 H new ATOM 564 N LYS A 33 2.889 4.264 7.329 1.00 25.00 N ATOM 565 CA LYS A 33 4.204 4.232 6.682 1.00 25.00 C ATOM 566 C LYS A 33 4.909 2.908 6.973 1.00 25.00 C ATOM 567 O LYS A 33 5.625 2.378 6.131 1.00 25.00 O ATOM 568 CB LYS A 33 5.090 5.417 7.093 1.00 25.00 C ATOM 569 CG LYS A 33 6.463 5.422 6.387 1.00 25.00 C ATOM 570 CD LYS A 33 6.321 5.524 4.842 1.00 25.00 C ATOM 571 CE LYS A 33 7.595 5.147 4.108 1.00 25.00 C ATOM 572 NZ LYS A 33 7.321 5.063 2.622 1.00 25.00 N ATOM 0 H LYS A 33 2.781 4.952 8.074 1.00 25.00 H new ATOM 0 HA LYS A 33 4.035 4.319 5.609 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.569 6.347 6.867 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.243 5.391 8.172 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.056 6.260 6.753 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.006 4.512 6.642 1.00 25.00 H new ATOM 0 HD2 LYS A 33 5.511 4.873 4.512 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.041 6.543 4.574 1.00 25.00 H new ATOM 0 HE2 LYS A 33 8.371 5.887 4.303 1.00 25.00 H new ATOM 0 HE3 LYS A 33 7.967 4.190 4.474 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 8.209 4.871 2.116 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 6.644 4.295 2.437 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 6.921 5.964 2.291 1.00 25.00 H new ATOM 586 N PHE A 34 4.665 2.325 8.128 1.00 25.00 N ATOM 587 CA PHE A 34 5.244 1.019 8.426 1.00 25.00 C ATOM 588 C PHE A 34 4.489 -0.104 7.712 1.00 25.00 C ATOM 589 O PHE A 34 5.071 -1.134 7.387 1.00 25.00 O ATOM 590 CB PHE A 34 5.347 0.818 9.926 1.00 25.00 C ATOM 591 CG PHE A 34 6.541 1.520 10.515 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.512 2.908 10.740 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.723 0.808 10.789 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.643 3.586 11.244 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.867 1.475 11.292 1.00 25.00 C ATOM 596 CZ PHE A 34 8.824 2.870 11.520 1.00 25.00 C ATOM 0 H PHE A 34 4.083 2.720 8.867 1.00 25.00 H new ATOM 0 HA PHE A 34 6.260 0.984 8.033 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.439 1.187 10.403 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.411 -0.248 10.144 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.611 3.463 10.524 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.759 -0.257 10.614 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.603 4.651 11.418 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.769 0.920 11.501 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.693 3.384 11.904 1.00 25.00 H new ATOM 606 N PHE A 35 3.229 0.132 7.369 1.00 25.00 N ATOM 607 CA PHE A 35 2.489 -0.803 6.508 1.00 25.00 C ATOM 608 C PHE A 35 3.109 -0.732 5.105 1.00 25.00 C ATOM 609 O PHE A 35 3.108 -1.699 4.366 1.00 25.00 O ATOM 610 CB PHE A 35 0.998 -0.425 6.399 1.00 25.00 C ATOM 611 CG PHE A 35 0.146 -0.827 7.587 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.609 -0.721 8.919 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.166 -1.291 7.365 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.225 -1.085 10.002 1.00 25.00 C ATOM 615 CE2 PHE A 35 -2.008 -1.645 8.445 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.534 -1.547 9.763 1.00 25.00 C ATOM 0 H PHE A 35 2.697 0.950 7.666 1.00 25.00 H new ATOM 0 HA PHE A 35 2.554 -1.802 6.938 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.921 0.654 6.265 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.586 -0.888 5.502 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.608 -0.359 9.111 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.535 -1.378 6.354 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.143 -1.008 11.015 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -3.014 -1.990 8.256 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.170 -1.825 10.590 1.00 25.00 H new ATOM 626 N ASP A 36 3.642 0.428 4.751 1.00 25.00 N ATOM 627 CA ASP A 36 4.257 0.641 3.438 1.00 25.00 C ATOM 628 C ASP A 36 5.613 -0.050 3.339 1.00 25.00 C ATOM 629 O ASP A 36 5.989 -0.566 2.293 1.00 25.00 O ATOM 630 CB ASP A 36 4.429 2.142 3.210 1.00 25.00 C ATOM 631 CG ASP A 36 4.554 2.497 1.763 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.588 2.249 1.011 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.549 3.171 1.408 1.00 25.00 O ATOM 0 H ASP A 36 3.663 1.247 5.358 1.00 25.00 H new ATOM 0 HA ASP A 36 3.606 0.212 2.676 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.576 2.670 3.637 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.316 2.487 3.742 1.00 25.00 H new ATOM 638 N PHE A 37 6.321 -0.099 4.458 1.00 25.00 N ATOM 639 CA PHE A 37 7.636 -0.743 4.535 1.00 25.00 C ATOM 640 C PHE A 37 7.546 -2.249 4.258 1.00 25.00 C ATOM 641 O PHE A 37 8.488 -2.860 3.758 1.00 25.00 O ATOM 642 CB PHE A 37 8.234 -0.484 5.920 1.00 25.00 C ATOM 643 CG PHE A 37 9.628 -1.015 6.093 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.672 -0.601 5.243 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.908 -1.930 7.120 1.00 25.00 C ATOM 646 CE1 PHE A 37 11.990 -1.096 5.417 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.227 -2.426 7.314 1.00 25.00 C ATOM 648 CZ PHE A 37 12.267 -2.006 6.459 1.00 25.00 C ATOM 0 H PHE A 37 6.006 0.304 5.340 1.00 25.00 H new ATOM 0 HA PHE A 37 8.282 -0.316 3.767 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.240 0.590 6.107 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.588 -0.935 6.673 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.467 0.102 4.449 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.112 -2.261 7.771 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.780 -0.777 4.753 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.431 -3.122 8.114 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.270 -2.379 6.601 1.00 25.00 H new ATOM 658 N VAL A 38 6.373 -2.821 4.492 1.00 25.00 N ATOM 659 CA VAL A 38 6.116 -4.224 4.142 1.00 25.00 C ATOM 660 C VAL A 38 6.333 -4.433 2.672 1.00 25.00 C ATOM 661 O VAL A 38 6.889 -5.446 2.260 1.00 25.00 O ATOM 662 CB VAL A 38 4.634 -4.632 4.396 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.362 -6.109 3.998 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.289 -4.419 5.810 1.00 25.00 C ATOM 0 H VAL A 38 5.581 -2.342 4.922 1.00 25.00 H new ATOM 0 HA VAL A 38 6.791 -4.816 4.760 1.00 25.00 H new ATOM 0 HB VAL A 38 4.006 -4.001 3.767 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.317 -6.351 4.191 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.576 -6.245 2.938 1.00 25.00 H new ATOM 0 HG13 VAL A 38 5.002 -6.768 4.585 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.251 -4.707 5.979 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.941 -5.026 6.439 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.419 -3.366 6.062 1.00 25.00 H new ATOM 674 N LYS A 39 5.841 -3.505 1.866 1.00 25.00 N ATOM 675 CA LYS A 39 5.842 -3.725 0.437 1.00 25.00 C ATOM 676 C LYS A 39 7.284 -3.765 -0.068 1.00 25.00 C ATOM 677 O LYS A 39 7.612 -4.520 -0.969 1.00 25.00 O ATOM 678 CB LYS A 39 5.058 -2.626 -0.305 1.00 25.00 C ATOM 679 CG LYS A 39 4.157 -3.118 -1.474 1.00 25.00 C ATOM 680 CD LYS A 39 4.937 -3.819 -2.612 1.00 25.00 C ATOM 681 CE LYS A 39 4.036 -4.124 -3.828 1.00 25.00 C ATOM 682 NZ LYS A 39 4.768 -4.907 -4.902 1.00 25.00 N ATOM 0 H LYS A 39 5.446 -2.615 2.171 1.00 25.00 H new ATOM 0 HA LYS A 39 5.350 -4.677 0.237 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.432 -2.101 0.416 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.769 -1.900 -0.699 1.00 25.00 H new ATOM 0 HG2 LYS A 39 3.411 -3.807 -1.080 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.617 -2.266 -1.887 1.00 25.00 H new ATOM 0 HD2 LYS A 39 5.767 -3.186 -2.926 1.00 25.00 H new ATOM 0 HD3 LYS A 39 5.368 -4.748 -2.238 1.00 25.00 H new ATOM 0 HE2 LYS A 39 3.164 -4.689 -3.499 1.00 25.00 H new ATOM 0 HE3 LYS A 39 3.669 -3.188 -4.250 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 4.165 -4.986 -5.746 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 5.649 -4.414 -5.151 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 4.992 -5.858 -4.546 1.00 25.00 H new ATOM 696 N ASP A 40 8.132 -2.938 0.526 1.00 25.00 N ATOM 697 CA ASP A 40 9.539 -2.852 0.130 1.00 25.00 C ATOM 698 C ASP A 40 10.329 -4.113 0.483 1.00 25.00 C ATOM 699 O ASP A 40 10.960 -4.724 -0.377 1.00 25.00 O ATOM 700 CB ASP A 40 10.195 -1.656 0.826 1.00 25.00 C ATOM 701 CG ASP A 40 11.677 -1.551 0.520 1.00 25.00 C ATOM 702 OD1 ASP A 40 12.032 -1.229 -0.634 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.490 -1.781 1.442 1.00 25.00 O ATOM 0 H ASP A 40 7.873 -2.312 1.288 1.00 25.00 H new ATOM 0 HA ASP A 40 9.557 -2.736 -0.954 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.696 -0.739 0.513 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.054 -1.744 1.903 1.00 25.00 H new ATOM 708 N THR A 41 10.313 -4.497 1.750 1.00 25.00 N ATOM 709 CA THR A 41 11.125 -5.628 2.198 1.00 25.00 C ATOM 710 C THR A 41 10.512 -6.982 1.851 1.00 25.00 C ATOM 711 O THR A 41 11.216 -7.975 1.670 1.00 25.00 O ATOM 712 CB THR A 41 11.326 -5.570 3.717 1.00 25.00 C ATOM 713 OG1 THR A 41 11.358 -4.205 4.134 1.00 25.00 O ATOM 714 CG2 THR A 41 12.629 -6.221 4.113 1.00 25.00 C ATOM 0 H THR A 41 9.757 -4.053 2.480 1.00 25.00 H new ATOM 0 HA THR A 41 12.076 -5.540 1.672 1.00 25.00 H new ATOM 0 HB THR A 41 10.502 -6.102 4.193 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.771 -4.143 5.020 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.749 -6.167 5.195 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.624 -7.265 3.800 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.457 -5.702 3.630 1.00 25.00 H new ATOM 722 N CYS A 42 9.193 -7.027 1.775 1.00 25.00 N ATOM 723 CA CYS A 42 8.466 -8.266 1.501 1.00 25.00 C ATOM 724 C CYS A 42 7.445 -8.065 0.362 1.00 25.00 C ATOM 725 O CYS A 42 6.232 -8.116 0.586 1.00 25.00 O ATOM 726 CB CYS A 42 7.773 -8.720 2.797 1.00 25.00 C ATOM 727 SG CYS A 42 7.320 -10.473 2.845 1.00 25.00 S ATOM 0 H CYS A 42 8.593 -6.212 1.900 1.00 25.00 H new ATOM 0 HA CYS A 42 9.162 -9.038 1.171 1.00 25.00 H new ATOM 0 HB2 CYS A 42 8.432 -8.507 3.638 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.872 -8.123 2.939 1.00 25.00 H new ATOM 0 HG CYS A 42 7.713 -11.053 1.750 1.00 25.00 H new ATOM 733 N PRO A 43 7.923 -7.849 -0.884 1.00 25.00 N ATOM 734 CA PRO A 43 6.981 -7.555 -1.977 1.00 25.00 C ATOM 735 C PRO A 43 6.109 -8.728 -2.401 1.00 25.00 C ATOM 736 O PRO A 43 5.095 -8.552 -3.067 1.00 25.00 O ATOM 737 CB PRO A 43 7.912 -7.132 -3.119 1.00 25.00 C ATOM 738 CG PRO A 43 9.164 -7.876 -2.861 1.00 25.00 C ATOM 739 CD PRO A 43 9.319 -7.817 -1.366 1.00 25.00 C ATOM 0 HA PRO A 43 6.252 -6.804 -1.673 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.491 -7.387 -4.091 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.081 -6.055 -3.117 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.098 -8.905 -3.215 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.013 -7.418 -3.369 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.896 -8.660 -0.987 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.834 -6.910 -1.049 1.00 25.00 H new ATOM 747 N TRP A 44 6.483 -9.923 -1.974 1.00 25.00 N ATOM 748 CA TRP A 44 5.725 -11.130 -2.278 1.00 25.00 C ATOM 749 C TRP A 44 4.580 -11.358 -1.288 1.00 25.00 C ATOM 750 O TRP A 44 3.718 -12.194 -1.521 1.00 25.00 O ATOM 751 CB TRP A 44 6.671 -12.327 -2.297 1.00 25.00 C ATOM 752 CG TRP A 44 7.865 -12.096 -1.437 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.888 -12.022 -0.098 1.00 25.00 C ATOM 754 CD2 TRP A 44 9.225 -11.869 -1.861 1.00 25.00 C ATOM 755 NE1 TRP A 44 9.145 -11.776 0.377 1.00 25.00 N ATOM 756 CE2 TRP A 44 10.001 -11.666 -0.682 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.865 -11.801 -3.116 1.00 25.00 C ATOM 758 CZ2 TRP A 44 11.384 -11.401 -0.723 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.261 -11.542 -3.164 1.00 25.00 C ATOM 760 CH2 TRP A 44 12.003 -11.340 -1.960 1.00 25.00 C ATOM 0 H TRP A 44 7.317 -10.086 -1.409 1.00 25.00 H new ATOM 0 HA TRP A 44 5.268 -11.007 -3.260 1.00 25.00 H new ATOM 0 HB2 TRP A 44 6.141 -13.216 -1.954 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.991 -12.522 -3.320 1.00 25.00 H new ATOM 0 HD1 TRP A 44 7.017 -12.142 0.529 1.00 25.00 H new ATOM 0 HE1 TRP A 44 9.402 -11.689 1.360 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.302 -11.944 -4.027 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.947 -11.249 0.186 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.765 -11.497 -4.118 1.00 25.00 H new ATOM 0 HH2 TRP A 44 13.062 -11.137 -2.016 1.00 25.00 H new ATOM 771 N PHE A 45 4.530 -10.593 -0.205 1.00 25.00 N ATOM 772 CA PHE A 45 3.396 -10.696 0.721 1.00 25.00 C ATOM 773 C PHE A 45 2.103 -10.138 0.091 1.00 25.00 C ATOM 774 O PHE A 45 1.091 -10.845 0.044 1.00 25.00 O ATOM 775 CB PHE A 45 3.693 -9.997 2.056 1.00 25.00 C ATOM 776 CG PHE A 45 2.539 -10.040 3.019 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.366 -11.139 3.880 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.605 -8.987 3.060 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.268 -11.188 4.775 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.505 -9.032 3.943 1.00 25.00 C ATOM 781 CZ PHE A 45 0.340 -10.134 4.803 1.00 25.00 C ATOM 0 H PHE A 45 5.240 -9.908 0.055 1.00 25.00 H new ATOM 0 HA PHE A 45 3.243 -11.756 0.924 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.561 -10.466 2.519 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.958 -8.957 1.863 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.076 -11.953 3.859 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.732 -8.135 2.408 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.145 -12.034 5.434 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.209 -8.222 3.959 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.498 -10.169 5.483 1.00 25.00 H new ATOM 791 N PRO A 46 2.115 -8.887 -0.434 1.00 25.00 N ATOM 792 CA PRO A 46 0.843 -8.464 -1.033 1.00 25.00 C ATOM 793 C PRO A 46 0.488 -9.192 -2.330 1.00 25.00 C ATOM 794 O PRO A 46 -0.660 -9.172 -2.744 1.00 25.00 O ATOM 795 CB PRO A 46 1.072 -6.973 -1.293 1.00 25.00 C ATOM 796 CG PRO A 46 2.504 -6.869 -1.531 1.00 25.00 C ATOM 797 CD PRO A 46 3.110 -7.797 -0.526 1.00 25.00 C ATOM 0 HA PRO A 46 0.001 -8.689 -0.378 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.499 -6.626 -2.153 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.765 -6.368 -0.440 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.761 -7.161 -2.549 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.858 -5.847 -1.394 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.083 -8.165 -0.852 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.261 -7.307 0.436 1.00 25.00 H new ATOM 805 N GLN A 47 1.458 -9.871 -2.933 1.00 25.00 N ATOM 806 CA GLN A 47 1.225 -10.650 -4.151 1.00 25.00 C ATOM 807 C GLN A 47 0.212 -11.773 -3.892 1.00 25.00 C ATOM 808 O GLN A 47 -0.622 -12.076 -4.736 1.00 25.00 O ATOM 809 CB GLN A 47 2.552 -11.253 -4.625 1.00 25.00 C ATOM 810 CG GLN A 47 2.508 -11.877 -6.011 1.00 25.00 C ATOM 811 CD GLN A 47 3.780 -12.637 -6.323 1.00 25.00 C ATOM 812 OE1 GLN A 47 3.906 -13.811 -6.012 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.729 -11.972 -6.913 1.00 25.00 N ATOM 0 H GLN A 47 2.421 -9.899 -2.598 1.00 25.00 H new ATOM 0 HA GLN A 47 0.820 -9.991 -4.919 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.313 -10.473 -4.617 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.866 -12.013 -3.909 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.655 -12.552 -6.079 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.358 -11.097 -6.757 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.589 -10.992 -7.158 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.614 -12.430 -7.130 1.00 25.00 H new ATOM 822 N GLU A 48 0.278 -12.381 -2.713 1.00 25.00 N ATOM 823 CA GLU A 48 -0.662 -13.447 -2.357 1.00 25.00 C ATOM 824 C GLU A 48 -2.030 -12.868 -2.012 1.00 25.00 C ATOM 825 O GLU A 48 -3.051 -13.554 -2.088 1.00 25.00 O ATOM 826 CB GLU A 48 -0.152 -14.230 -1.147 1.00 25.00 C ATOM 827 CG GLU A 48 1.144 -14.976 -1.398 1.00 25.00 C ATOM 828 CD GLU A 48 1.491 -15.911 -0.254 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.194 -15.577 0.918 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.042 -17.005 -0.509 1.00 25.00 O ATOM 0 H GLU A 48 0.964 -12.160 -1.991 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.749 -14.109 -3.219 1.00 25.00 H new ATOM 0 HB2 GLU A 48 -0.007 -13.540 -0.315 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.917 -14.944 -0.840 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.060 -15.549 -2.322 1.00 25.00 H new ATOM 0 HG3 GLU A 48 1.953 -14.260 -1.539 1.00 25.00 H new ATOM 837 N GLY A 49 -2.032 -11.611 -1.588 1.00 25.00 N ATOM 838 CA GLY A 49 -3.266 -10.927 -1.240 1.00 25.00 C ATOM 839 C GLY A 49 -4.074 -11.607 -0.152 1.00 25.00 C ATOM 840 O GLY A 49 -5.297 -11.498 -0.119 1.00 25.00 O ATOM 0 H GLY A 49 -1.190 -11.045 -1.477 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.027 -9.913 -0.918 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.884 -10.840 -2.134 1.00 25.00 H new ATOM 844 N THR A 50 -3.400 -12.348 0.713 1.00 25.00 N ATOM 845 CA THR A 50 -4.066 -13.094 1.778 1.00 25.00 C ATOM 846 C THR A 50 -3.372 -12.753 3.084 1.00 25.00 C ATOM 847 O THR A 50 -2.143 -12.776 3.167 1.00 25.00 O ATOM 848 CB THR A 50 -3.997 -14.607 1.519 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.504 -14.896 0.212 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.832 -15.379 2.538 1.00 25.00 C ATOM 0 H THR A 50 -2.385 -12.451 0.701 1.00 25.00 H new ATOM 0 HA THR A 50 -5.120 -12.820 1.819 1.00 25.00 H new ATOM 0 HB THR A 50 -2.954 -14.913 1.604 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.899 -14.523 -0.463 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.764 -16.447 2.330 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.456 -15.180 3.542 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.873 -15.062 2.471 1.00 25.00 H new ATOM 858 N ILE A 51 -4.152 -12.373 4.083 1.00 25.00 N ATOM 859 CA ILE A 51 -3.618 -11.829 5.325 1.00 25.00 C ATOM 860 C ILE A 51 -4.061 -12.686 6.506 1.00 25.00 C ATOM 861 O ILE A 51 -5.099 -12.485 7.147 1.00 25.00 O ATOM 862 CB ILE A 51 -4.005 -10.327 5.451 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.402 -9.565 4.250 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.498 -9.691 6.773 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.768 -8.140 4.178 1.00 25.00 C ATOM 0 H ILE A 51 -5.170 -12.432 4.058 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.529 -11.865 5.321 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.093 -10.257 5.459 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.316 -9.645 4.295 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.720 -10.055 3.330 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.795 -8.643 6.810 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.931 -10.221 7.621 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.411 -9.762 6.818 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.299 -7.688 3.304 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -4.851 -8.046 4.098 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.425 -7.630 5.078 1.00 25.00 H new ATOM 877 N ASP A 52 -3.211 -13.655 6.787 1.00 25.00 N ATOM 878 CA ASP A 52 -3.355 -14.539 7.931 1.00 25.00 C ATOM 879 C ASP A 52 -2.054 -14.405 8.679 1.00 25.00 C ATOM 880 O ASP A 52 -1.039 -14.012 8.099 1.00 25.00 O ATOM 881 CB ASP A 52 -3.539 -15.987 7.503 1.00 25.00 C ATOM 882 CG ASP A 52 -3.493 -16.940 8.673 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.175 -16.682 9.682 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.632 -17.839 8.657 1.00 25.00 O ATOM 0 H ASP A 52 -2.388 -13.854 6.219 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.229 -14.275 8.526 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.494 -16.093 6.988 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.760 -16.254 6.789 1.00 25.00 H new ATOM 889 N ILE A 53 -2.062 -14.744 9.952 1.00 25.00 N ATOM 890 CA ILE A 53 -0.887 -14.590 10.774 1.00 25.00 C ATOM 891 C ILE A 53 0.272 -15.452 10.283 1.00 25.00 C ATOM 892 O ILE A 53 1.418 -15.055 10.406 1.00 25.00 O ATOM 893 CB ILE A 53 -1.237 -14.876 12.252 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.179 -14.282 13.193 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.376 -16.386 12.535 1.00 25.00 C ATOM 896 CD1 ILE A 53 -0.139 -12.774 13.247 1.00 25.00 C ATOM 0 H ILE A 53 -2.873 -15.128 10.437 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.548 -13.557 10.696 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.200 -14.401 12.439 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.358 -14.661 14.199 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.802 -14.644 12.885 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.622 -16.538 13.586 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.169 -16.801 11.913 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.435 -16.887 12.307 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.641 -12.455 13.939 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.074 -12.380 12.253 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -1.103 -12.396 13.588 1.00 25.00 H new ATOM 908 N LYS A 54 -0.010 -16.597 9.668 1.00 25.00 N ATOM 909 CA LYS A 54 1.060 -17.468 9.170 1.00 25.00 C ATOM 910 C LYS A 54 1.794 -16.808 8.013 1.00 25.00 C ATOM 911 O LYS A 54 2.994 -16.982 7.854 1.00 25.00 O ATOM 912 CB LYS A 54 0.487 -18.812 8.713 1.00 25.00 C ATOM 913 CG LYS A 54 -0.200 -19.599 9.827 1.00 25.00 C ATOM 914 CD LYS A 54 -0.978 -20.776 9.257 1.00 25.00 C ATOM 915 CE LYS A 54 -1.848 -21.420 10.331 1.00 25.00 C ATOM 916 NZ LYS A 54 -2.708 -22.510 9.756 1.00 25.00 N ATOM 0 H LYS A 54 -0.955 -16.943 9.502 1.00 25.00 H new ATOM 0 HA LYS A 54 1.763 -17.638 9.985 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.229 -18.637 7.910 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.292 -19.417 8.296 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.545 -19.959 10.537 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.875 -18.944 10.378 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.603 -20.439 8.430 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.285 -21.514 8.853 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -1.215 -21.830 11.117 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.479 -20.662 10.794 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -3.288 -22.929 10.511 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.329 -22.112 9.023 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -2.103 -23.245 9.336 1.00 25.00 H new ATOM 930 N ARG A 55 1.080 -16.024 7.215 1.00 25.00 N ATOM 931 CA ARG A 55 1.708 -15.312 6.100 1.00 25.00 C ATOM 932 C ARG A 55 2.377 -14.051 6.632 1.00 25.00 C ATOM 933 O ARG A 55 3.425 -13.649 6.151 1.00 25.00 O ATOM 934 CB ARG A 55 0.666 -14.977 5.028 1.00 25.00 C ATOM 935 CG ARG A 55 0.019 -16.226 4.414 1.00 25.00 C ATOM 936 CD ARG A 55 -1.110 -15.844 3.486 1.00 25.00 C ATOM 937 NE ARG A 55 -1.936 -17.001 3.085 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.864 -17.643 1.921 1.00 25.00 C ATOM 939 NH1 ARG A 55 -0.998 -17.341 0.997 1.00 25.00 N ATOM 940 NH2 ARG A 55 -2.698 -18.618 1.685 1.00 25.00 N ATOM 0 H ARG A 55 0.078 -15.864 7.314 1.00 25.00 H new ATOM 0 HA ARG A 55 2.465 -15.945 5.636 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.110 -14.350 5.466 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.139 -14.393 4.238 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.768 -16.797 3.866 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.358 -16.872 5.206 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.743 -15.104 3.976 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.698 -15.371 2.595 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.623 -17.338 3.760 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -0.334 -16.582 1.149 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -0.983 -17.864 0.121 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -3.391 -18.877 2.387 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -2.657 -19.121 0.798 1.00 25.00 H new ATOM 954 N TRP A 56 1.800 -13.468 7.674 1.00 25.00 N ATOM 955 CA TRP A 56 2.369 -12.282 8.316 1.00 25.00 C ATOM 956 C TRP A 56 3.726 -12.573 8.960 1.00 25.00 C ATOM 957 O TRP A 56 4.572 -11.681 9.048 1.00 25.00 O ATOM 958 CB TRP A 56 1.398 -11.740 9.369 1.00 25.00 C ATOM 959 CG TRP A 56 1.820 -10.415 9.945 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.107 -10.135 11.243 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.021 -9.173 9.236 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.469 -8.830 11.409 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.442 -8.206 10.195 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.900 -8.782 7.887 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.760 -6.881 9.840 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.214 -7.446 7.528 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.644 -6.511 8.513 1.00 25.00 C ATOM 0 H TRP A 56 0.932 -13.797 8.098 1.00 25.00 H new ATOM 0 HA TRP A 56 2.526 -11.533 7.540 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.410 -11.635 8.921 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.307 -12.466 10.177 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.055 -10.857 12.045 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.719 -8.392 12.296 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.573 -9.489 7.138 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.086 -6.171 10.586 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.126 -7.135 6.498 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.883 -5.499 8.219 1.00 25.00 H new ATOM 978 N ARG A 57 3.959 -13.822 9.364 1.00 25.00 N ATOM 979 CA ARG A 57 5.262 -14.214 9.938 1.00 25.00 C ATOM 980 C ARG A 57 6.385 -13.832 8.977 1.00 25.00 C ATOM 981 O ARG A 57 7.369 -13.231 9.382 1.00 25.00 O ATOM 982 CB ARG A 57 5.379 -15.728 10.215 1.00 25.00 C ATOM 983 CG ARG A 57 4.250 -16.398 11.014 1.00 25.00 C ATOM 984 CD ARG A 57 3.886 -15.702 12.325 1.00 25.00 C ATOM 985 NE ARG A 57 3.049 -16.563 13.185 1.00 25.00 N ATOM 986 CZ ARG A 57 2.488 -16.191 14.333 1.00 25.00 C ATOM 987 NH1 ARG A 57 2.659 -14.995 14.841 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.726 -17.030 14.978 1.00 25.00 N ATOM 0 H ARG A 57 3.276 -14.578 9.309 1.00 25.00 H new ATOM 0 HA ARG A 57 5.342 -13.687 10.889 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.460 -16.239 9.256 1.00 25.00 H new ATOM 0 HB3 ARG A 57 6.314 -15.900 10.748 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.360 -16.446 10.386 1.00 25.00 H new ATOM 0 HG3 ARG A 57 4.541 -17.425 11.234 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.797 -15.430 12.858 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.354 -14.775 12.110 1.00 25.00 H new ATOM 0 HE ARG A 57 2.888 -17.521 12.874 1.00 25.00 H new ATOM 0 HH11 ARG A 57 3.239 -14.312 14.354 1.00 25.00 H new ATOM 0 HH12 ARG A 57 2.212 -14.747 15.724 1.00 25.00 H new ATOM 0 HH21 ARG A 57 1.563 -17.964 14.602 1.00 25.00 H new ATOM 0 HH22 ARG A 57 1.293 -16.752 15.859 1.00 25.00 H new ATOM 1002 N ARG A 58 6.177 -14.125 7.696 1.00 25.00 N ATOM 1003 CA ARG A 58 7.175 -13.865 6.648 1.00 25.00 C ATOM 1004 C ARG A 58 7.667 -12.438 6.610 1.00 25.00 C ATOM 1005 O ARG A 58 8.787 -12.183 6.223 1.00 25.00 O ATOM 1006 CB ARG A 58 6.602 -14.136 5.259 1.00 25.00 C ATOM 1007 CG ARG A 58 6.043 -15.516 5.012 1.00 25.00 C ATOM 1008 CD ARG A 58 5.581 -15.546 3.568 1.00 25.00 C ATOM 1009 NE ARG A 58 4.759 -16.715 3.230 1.00 25.00 N ATOM 1010 CZ ARG A 58 4.161 -16.895 2.056 1.00 25.00 C ATOM 1011 NH1 ARG A 58 4.287 -16.042 1.073 1.00 25.00 N ATOM 1012 NH2 ARG A 58 3.415 -17.942 1.864 1.00 25.00 N ATOM 0 H ARG A 58 5.316 -14.548 7.350 1.00 25.00 H new ATOM 0 HA ARG A 58 7.999 -14.533 6.899 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.811 -13.410 5.070 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.387 -13.951 4.525 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.801 -16.279 5.192 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.214 -15.725 5.688 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.010 -14.641 3.361 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.455 -15.528 2.917 1.00 25.00 H new ATOM 0 HE ARG A 58 4.639 -17.436 3.942 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.859 -15.206 1.193 1.00 25.00 H new ATOM 0 HH12 ARG A 58 3.814 -16.213 0.186 1.00 25.00 H new ATOM 0 HH21 ARG A 58 3.289 -18.623 2.613 1.00 25.00 H new ATOM 0 HH22 ARG A 58 2.955 -18.083 0.964 1.00 25.00 H new ATOM 1026 N VAL A 59 6.806 -11.496 6.944 1.00 25.00 N ATOM 1027 CA VAL A 59 7.164 -10.085 6.861 1.00 25.00 C ATOM 1028 C VAL A 59 8.187 -9.760 7.934 1.00 25.00 C ATOM 1029 O VAL A 59 9.149 -9.036 7.699 1.00 25.00 O ATOM 1030 CB VAL A 59 5.913 -9.200 7.034 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.265 -7.737 6.877 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.861 -9.604 6.011 1.00 25.00 C ATOM 0 H VAL A 59 5.858 -11.676 7.274 1.00 25.00 H new ATOM 0 HA VAL A 59 7.593 -9.884 5.879 1.00 25.00 H new ATOM 0 HB VAL A 59 5.514 -9.344 8.038 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.368 -7.131 7.003 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.001 -7.457 7.631 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.681 -7.567 5.884 1.00 25.00 H new ATOM 0 HG21 VAL A 59 3.976 -8.979 6.133 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.262 -9.474 5.006 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.590 -10.649 6.161 1.00 25.00 H new ATOM 1042 N GLY A 60 8.000 -10.342 9.104 1.00 25.00 N ATOM 1043 CA GLY A 60 8.930 -10.122 10.190 1.00 25.00 C ATOM 1044 C GLY A 60 10.205 -10.893 9.949 1.00 25.00 C ATOM 1045 O GLY A 60 11.290 -10.402 10.238 1.00 25.00 O ATOM 0 H GLY A 60 7.221 -10.963 9.323 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.151 -9.058 10.279 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.480 -10.434 11.132 1.00 25.00 H new ATOM 1049 N ASP A 61 10.077 -12.072 9.354 1.00 25.00 N ATOM 1050 CA ASP A 61 11.237 -12.887 8.991 1.00 25.00 C ATOM 1051 C ASP A 61 12.079 -12.104 7.977 1.00 25.00 C ATOM 1052 O ASP A 61 13.304 -12.086 8.042 1.00 25.00 O ATOM 1053 CB ASP A 61 10.793 -14.222 8.363 1.00 25.00 C ATOM 1054 CG ASP A 61 9.932 -15.067 9.301 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.162 -15.052 10.529 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.002 -15.745 8.796 1.00 25.00 O ATOM 0 H ASP A 61 9.179 -12.490 9.110 1.00 25.00 H new ATOM 0 HA ASP A 61 11.817 -13.107 9.887 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.234 -14.019 7.450 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.676 -14.793 8.076 1.00 25.00 H new ATOM 1061 N CYS A 62 11.399 -11.416 7.069 1.00 25.00 N ATOM 1062 CA CYS A 62 12.048 -10.582 6.059 1.00 25.00 C ATOM 1063 C CYS A 62 12.821 -9.437 6.699 1.00 25.00 C ATOM 1064 O CYS A 62 13.967 -9.174 6.336 1.00 25.00 O ATOM 1065 CB CYS A 62 10.993 -9.990 5.121 1.00 25.00 C ATOM 1066 SG CYS A 62 11.071 -10.626 3.431 1.00 25.00 S ATOM 0 H CYS A 62 10.381 -11.419 7.010 1.00 25.00 H new ATOM 0 HA CYS A 62 12.743 -11.213 5.505 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.003 -10.194 5.530 1.00 25.00 H new ATOM 0 HB3 CYS A 62 11.111 -8.907 5.096 1.00 25.00 H new ATOM 0 HG CYS A 62 11.133 -9.632 2.596 1.00 25.00 H new ATOM 1072 N PHE A 63 12.203 -8.760 7.659 1.00 25.00 N ATOM 1073 CA PHE A 63 12.875 -7.655 8.338 1.00 25.00 C ATOM 1074 C PHE A 63 14.087 -8.193 9.075 1.00 25.00 C ATOM 1075 O PHE A 63 15.117 -7.541 9.128 1.00 25.00 O ATOM 1076 CB PHE A 63 11.967 -6.970 9.368 1.00 25.00 C ATOM 1077 CG PHE A 63 10.710 -6.340 8.795 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.662 -5.842 7.475 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.563 -6.216 9.606 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.483 -5.232 6.971 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.385 -5.601 9.111 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.350 -5.107 7.791 1.00 25.00 C ATOM 0 H PHE A 63 11.254 -8.950 7.982 1.00 25.00 H new ATOM 0 HA PHE A 63 13.153 -6.925 7.578 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.677 -7.704 10.120 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.541 -6.198 9.880 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.532 -5.926 6.841 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.582 -6.594 10.617 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.458 -4.864 5.956 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.515 -5.511 9.745 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.456 -4.635 7.412 1.00 25.00 H new ATOM 1092 N GLN A 64 13.954 -9.374 9.663 1.00 25.00 N ATOM 1093 CA GLN A 64 15.027 -9.961 10.456 1.00 25.00 C ATOM 1094 C GLN A 64 16.207 -10.379 9.585 1.00 25.00 C ATOM 1095 O GLN A 64 17.344 -10.196 9.971 1.00 25.00 O ATOM 1096 CB GLN A 64 14.496 -11.158 11.249 1.00 25.00 C ATOM 1097 CG GLN A 64 15.459 -11.661 12.313 1.00 25.00 C ATOM 1098 CD GLN A 64 14.833 -12.717 13.197 1.00 25.00 C ATOM 1099 OE1 GLN A 64 13.946 -12.434 13.988 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.298 -13.933 13.077 1.00 25.00 N ATOM 0 H GLN A 64 13.112 -9.946 9.606 1.00 25.00 H new ATOM 0 HA GLN A 64 15.387 -9.201 11.150 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.556 -10.879 11.725 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.275 -11.971 10.558 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.347 -12.072 11.832 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.788 -10.823 12.928 1.00 25.00 H new ATOM 0 HE21 GLN A 64 16.039 -14.131 12.405 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.919 -14.683 13.655 1.00 25.00 H new ATOM 1109 N ASP A 65 15.948 -10.908 8.401 1.00 25.00 N ATOM 1110 CA ASP A 65 17.034 -11.313 7.505 1.00 25.00 C ATOM 1111 C ASP A 65 17.792 -10.093 7.000 1.00 25.00 C ATOM 1112 O ASP A 65 19.023 -10.061 6.962 1.00 25.00 O ATOM 1113 CB ASP A 65 16.467 -12.078 6.316 1.00 25.00 C ATOM 1114 CG ASP A 65 17.543 -12.811 5.531 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.453 -13.388 6.165 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.464 -12.834 4.280 1.00 25.00 O ATOM 0 H ASP A 65 15.009 -11.068 8.035 1.00 25.00 H new ATOM 0 HA ASP A 65 17.719 -11.953 8.062 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.726 -12.796 6.669 1.00 25.00 H new ATOM 0 HB3 ASP A 65 15.948 -11.384 5.655 1.00 25.00 H new ATOM 1121 N TYR A 66 17.044 -9.056 6.665 1.00 25.00 N ATOM 1122 CA TYR A 66 17.633 -7.803 6.213 1.00 25.00 C ATOM 1123 C TYR A 66 18.433 -7.190 7.374 1.00 25.00 C ATOM 1124 O TYR A 66 19.525 -6.644 7.186 1.00 25.00 O ATOM 1125 CB TYR A 66 16.509 -6.873 5.750 1.00 25.00 C ATOM 1126 CG TYR A 66 16.919 -5.806 4.750 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.893 -4.832 5.064 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.311 -5.755 3.478 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.247 -3.829 4.120 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.657 -4.747 2.541 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.622 -3.795 2.874 1.00 25.00 C ATOM 1132 OH TYR A 66 17.952 -2.814 1.973 1.00 25.00 O ATOM 0 H TYR A 66 16.025 -9.055 6.697 1.00 25.00 H new ATOM 0 HA TYR A 66 18.312 -7.963 5.375 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.719 -7.478 5.307 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.082 -6.383 6.625 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.374 -4.849 6.031 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.570 -6.495 3.213 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.999 -3.095 4.368 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.176 -4.717 1.575 1.00 25.00 H new ATOM 0 HH TYR A 66 17.427 -2.932 1.154 1.00 25.00 H new ATOM 1142 N PHE A 67 17.914 -7.341 8.586 1.00 25.00 N ATOM 1143 CA PHE A 67 18.600 -6.848 9.787 1.00 25.00 C ATOM 1144 C PHE A 67 19.879 -7.649 10.039 1.00 25.00 C ATOM 1145 O PHE A 67 20.890 -7.089 10.425 1.00 25.00 O ATOM 1146 CB PHE A 67 17.669 -6.949 11.001 1.00 25.00 C ATOM 1147 CG PHE A 67 18.214 -6.309 12.252 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.136 -6.992 13.070 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.784 -5.026 12.637 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.632 -6.396 14.255 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.262 -4.427 13.823 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.194 -5.111 14.631 1.00 25.00 C ATOM 0 H PHE A 67 17.022 -7.800 8.770 1.00 25.00 H new ATOM 0 HA PHE A 67 18.869 -5.803 9.631 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.715 -6.483 10.753 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.466 -8.001 11.203 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.468 -7.981 12.790 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.079 -4.492 12.017 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.345 -6.926 14.869 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.914 -3.446 14.111 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.570 -4.652 15.533 1.00 25.00 H new ATOM 1162 N ASN A 68 19.852 -8.950 9.791 1.00 25.00 N ATOM 1163 CA ASN A 68 21.038 -9.786 9.986 1.00 25.00 C ATOM 1164 C ASN A 68 22.126 -9.390 8.997 1.00 25.00 C ATOM 1165 O ASN A 68 23.311 -9.514 9.281 1.00 25.00 O ATOM 1166 CB ASN A 68 20.712 -11.271 9.768 1.00 25.00 C ATOM 1167 CG ASN A 68 19.808 -11.839 10.830 1.00 25.00 C ATOM 1168 OD1 ASN A 68 19.818 -11.413 11.975 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.040 -12.828 10.461 1.00 25.00 N ATOM 0 H ASN A 68 19.030 -9.452 9.456 1.00 25.00 H new ATOM 0 HA ASN A 68 21.379 -9.636 11.010 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.240 -11.394 8.793 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.641 -11.841 9.746 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.420 -13.273 11.138 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.060 -13.156 9.495 1.00 25.00 H new ATOM 1176 N THR A 69 21.712 -8.937 7.824 1.00 25.00 N ATOM 1177 CA THR A 69 22.651 -8.580 6.765 1.00 25.00 C ATOM 1178 C THR A 69 23.463 -7.319 7.089 1.00 25.00 C ATOM 1179 O THR A 69 24.669 -7.287 6.858 1.00 25.00 O ATOM 1180 CB THR A 69 21.898 -8.354 5.422 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.118 -9.512 5.108 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.861 -8.126 4.266 1.00 25.00 C ATOM 0 H THR A 69 20.731 -8.807 7.578 1.00 25.00 H new ATOM 0 HA THR A 69 23.344 -9.417 6.680 1.00 25.00 H new ATOM 0 HB THR A 69 21.271 -7.472 5.549 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.404 -9.615 5.771 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.296 -7.972 3.347 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.471 -7.246 4.469 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.507 -8.997 4.154 1.00 25.00 H new ATOM 1190 N PHE A 70 22.800 -6.262 7.552 1.00 25.00 N ATOM 1191 CA PHE A 70 23.483 -4.976 7.774 1.00 25.00 C ATOM 1192 C PHE A 70 23.333 -4.331 9.158 1.00 25.00 C ATOM 1193 O PHE A 70 23.845 -3.242 9.393 1.00 25.00 O ATOM 1194 CB PHE A 70 23.022 -3.985 6.716 1.00 25.00 C ATOM 1195 CG PHE A 70 24.140 -3.453 5.866 1.00 25.00 C ATOM 1196 CD1 PHE A 70 24.992 -2.448 6.359 1.00 25.00 C ATOM 1197 CD2 PHE A 70 24.347 -3.950 4.568 1.00 25.00 C ATOM 1198 CE1 PHE A 70 26.040 -1.930 5.562 1.00 25.00 C ATOM 1199 CE2 PHE A 70 25.396 -3.441 3.757 1.00 25.00 C ATOM 1200 CZ PHE A 70 26.243 -2.427 4.259 1.00 25.00 C ATOM 0 H PHE A 70 21.806 -6.262 7.780 1.00 25.00 H new ATOM 0 HA PHE A 70 24.543 -5.220 7.706 1.00 25.00 H new ATOM 0 HB2 PHE A 70 22.286 -4.468 6.073 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.520 -3.151 7.205 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.844 -2.067 7.359 1.00 25.00 H new ATOM 0 HD2 PHE A 70 23.702 -4.726 4.183 1.00 25.00 H new ATOM 0 HE1 PHE A 70 26.683 -1.155 5.952 1.00 25.00 H new ATOM 0 HE2 PHE A 70 25.546 -3.828 2.760 1.00 25.00 H new ATOM 0 HZ PHE A 70 27.042 -2.035 3.647 1.00 25.00 H new ATOM 1210 N GLY A 71 22.624 -4.971 10.068 1.00 25.00 N ATOM 1211 CA GLY A 71 22.442 -4.408 11.396 1.00 25.00 C ATOM 1212 C GLY A 71 21.340 -3.360 11.488 1.00 25.00 C ATOM 1213 O GLY A 71 20.558 -3.165 10.543 1.00 25.00 O ATOM 0 H GLY A 71 22.168 -5.871 9.917 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.218 -5.216 12.093 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.381 -3.960 11.719 1.00 25.00 H new ATOM 1217 N PRO A 72 21.246 -2.653 12.630 1.00 25.00 N ATOM 1218 CA PRO A 72 20.165 -1.684 12.864 1.00 25.00 C ATOM 1219 C PRO A 72 20.248 -0.394 12.055 1.00 25.00 C ATOM 1220 O PRO A 72 19.323 0.411 12.075 1.00 25.00 O ATOM 1221 CB PRO A 72 20.297 -1.388 14.360 1.00 25.00 C ATOM 1222 CG PRO A 72 21.737 -1.547 14.629 1.00 25.00 C ATOM 1223 CD PRO A 72 22.132 -2.749 13.808 1.00 25.00 C ATOM 0 HA PRO A 72 19.208 -2.100 12.550 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.955 -0.381 14.599 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.701 -2.078 14.958 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.298 -0.660 14.334 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.929 -1.708 15.690 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.184 -2.716 13.525 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.977 -3.679 14.354 1.00 25.00 H new ATOM 1231 N GLU A 73 21.342 -0.195 11.335 1.00 25.00 N ATOM 1232 CA GLU A 73 21.488 0.996 10.500 1.00 25.00 C ATOM 1233 C GLU A 73 20.687 0.872 9.202 1.00 25.00 C ATOM 1234 O GLU A 73 20.499 1.855 8.488 1.00 25.00 O ATOM 1235 CB GLU A 73 22.963 1.249 10.177 1.00 25.00 C ATOM 1236 CG GLU A 73 23.663 0.089 9.494 1.00 25.00 C ATOM 1237 CD GLU A 73 24.977 0.513 8.863 1.00 25.00 C ATOM 1238 OE1 GLU A 73 25.916 0.862 9.600 1.00 25.00 O ATOM 1239 OE2 GLU A 73 25.046 0.549 7.612 1.00 25.00 O ATOM 0 H GLU A 73 22.137 -0.834 11.309 1.00 25.00 H new ATOM 0 HA GLU A 73 21.094 1.841 11.065 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.037 2.129 9.538 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.490 1.482 11.102 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.848 -0.702 10.221 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.010 -0.328 8.727 1.00 25.00 H new ATOM 1246 N LYS A 74 20.216 -0.334 8.894 1.00 25.00 N ATOM 1247 CA LYS A 74 19.422 -0.562 7.676 1.00 25.00 C ATOM 1248 C LYS A 74 17.967 -0.856 7.976 1.00 25.00 C ATOM 1249 O LYS A 74 17.090 -0.373 7.274 1.00 25.00 O ATOM 1250 CB LYS A 74 20.020 -1.698 6.852 1.00 25.00 C ATOM 1251 CG LYS A 74 20.791 -1.223 5.605 1.00 25.00 C ATOM 1252 CD LYS A 74 21.992 -0.344 5.960 1.00 25.00 C ATOM 1253 CE LYS A 74 22.801 0.027 4.735 1.00 25.00 C ATOM 1254 NZ LYS A 74 23.934 0.927 5.128 1.00 25.00 N ATOM 0 H LYS A 74 20.366 -1.167 9.463 1.00 25.00 H new ATOM 0 HA LYS A 74 19.457 0.364 7.102 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.692 -2.278 7.484 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.219 -2.368 6.539 1.00 25.00 H new ATOM 0 HG2 LYS A 74 21.134 -2.091 5.041 1.00 25.00 H new ATOM 0 HG3 LYS A 74 20.116 -0.666 4.955 1.00 25.00 H new ATOM 0 HD2 LYS A 74 21.645 0.563 6.454 1.00 25.00 H new ATOM 0 HD3 LYS A 74 22.630 -0.870 6.671 1.00 25.00 H new ATOM 0 HE2 LYS A 74 23.188 -0.873 4.257 1.00 25.00 H new ATOM 0 HE3 LYS A 74 22.164 0.526 4.005 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 24.746 0.757 4.501 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 23.634 1.919 5.045 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 24.209 0.729 6.111 1.00 25.00 H new ATOM 1268 N VAL A 75 17.698 -1.596 9.042 1.00 25.00 N ATOM 1269 CA VAL A 75 16.316 -1.802 9.470 1.00 25.00 C ATOM 1270 C VAL A 75 16.235 -1.283 10.895 1.00 25.00 C ATOM 1271 O VAL A 75 17.039 -1.671 11.743 1.00 25.00 O ATOM 1272 CB VAL A 75 15.940 -3.316 9.438 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.505 -3.556 9.943 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.075 -3.864 8.028 1.00 25.00 C ATOM 0 H VAL A 75 18.401 -2.057 9.619 1.00 25.00 H new ATOM 0 HA VAL A 75 15.624 -1.284 8.806 1.00 25.00 H new ATOM 0 HB VAL A 75 16.630 -3.836 10.103 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.280 -4.622 9.906 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.417 -3.202 10.970 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.801 -3.014 9.311 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.809 -4.921 8.022 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.408 -3.318 7.360 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.104 -3.746 7.689 1.00 25.00 H new ATOM 1284 N PRO A 76 15.230 -0.449 11.207 1.00 25.00 N ATOM 1285 CA PRO A 76 15.194 -0.006 12.600 1.00 25.00 C ATOM 1286 C PRO A 76 14.614 -1.070 13.512 1.00 25.00 C ATOM 1287 O PRO A 76 13.756 -1.849 13.108 1.00 25.00 O ATOM 1288 CB PRO A 76 14.285 1.219 12.541 1.00 25.00 C ATOM 1289 CG PRO A 76 13.342 0.925 11.434 1.00 25.00 C ATOM 1290 CD PRO A 76 14.153 0.172 10.406 1.00 25.00 C ATOM 0 HA PRO A 76 16.184 0.204 13.005 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.758 1.368 13.483 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.855 2.128 12.347 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.499 0.328 11.784 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.930 1.843 11.014 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.552 -0.578 9.891 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.554 0.839 9.643 1.00 25.00 H new ATOM 1298 N VAL A 77 15.009 -1.061 14.773 1.00 25.00 N ATOM 1299 CA VAL A 77 14.450 -2.010 15.734 1.00 25.00 C ATOM 1300 C VAL A 77 12.957 -1.736 15.959 1.00 25.00 C ATOM 1301 O VAL A 77 12.204 -2.621 16.360 1.00 25.00 O ATOM 1302 CB VAL A 77 15.226 -1.982 17.081 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.676 -2.447 16.864 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.219 -0.572 17.704 1.00 25.00 C ATOM 0 H VAL A 77 15.704 -0.420 15.156 1.00 25.00 H new ATOM 0 HA VAL A 77 14.558 -3.010 15.314 1.00 25.00 H new ATOM 0 HB VAL A 77 14.724 -2.661 17.770 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.211 -2.424 17.813 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.677 -3.464 16.471 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.168 -1.783 16.153 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.770 -0.587 18.644 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.691 0.131 17.018 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.191 -0.262 17.891 1.00 25.00 H new ATOM 1314 N THR A 78 12.507 -0.528 15.634 1.00 25.00 N ATOM 1315 CA THR A 78 11.091 -0.198 15.770 1.00 25.00 C ATOM 1316 C THR A 78 10.258 -0.875 14.693 1.00 25.00 C ATOM 1317 O THR A 78 9.072 -1.068 14.878 1.00 25.00 O ATOM 1318 CB THR A 78 10.826 1.334 15.756 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.573 1.602 16.386 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.783 1.913 14.360 1.00 25.00 C ATOM 0 H THR A 78 13.092 0.229 15.280 1.00 25.00 H new ATOM 0 HA THR A 78 10.788 -0.576 16.746 1.00 25.00 H new ATOM 0 HB THR A 78 11.654 1.801 16.289 1.00 25.00 H new ATOM 0 HG1 THR A 78 8.864 1.622 15.709 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.595 2.985 14.416 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.738 1.738 13.864 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.986 1.434 13.792 1.00 25.00 H new ATOM 1328 N ALA A 79 10.868 -1.292 13.589 1.00 25.00 N ATOM 1329 CA ALA A 79 10.110 -1.975 12.543 1.00 25.00 C ATOM 1330 C ALA A 79 9.523 -3.269 13.104 1.00 25.00 C ATOM 1331 O ALA A 79 8.402 -3.637 12.788 1.00 25.00 O ATOM 1332 CB ALA A 79 10.997 -2.260 11.341 1.00 25.00 C ATOM 0 H ALA A 79 11.862 -1.174 13.395 1.00 25.00 H new ATOM 0 HA ALA A 79 9.295 -1.331 12.211 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.416 -2.769 10.572 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.383 -1.322 10.943 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.830 -2.894 11.645 1.00 25.00 H new ATOM 1338 N PHE A 80 10.269 -3.926 13.980 1.00 25.00 N ATOM 1339 CA PHE A 80 9.798 -5.155 14.614 1.00 25.00 C ATOM 1340 C PHE A 80 8.728 -4.858 15.658 1.00 25.00 C ATOM 1341 O PHE A 80 7.835 -5.664 15.893 1.00 25.00 O ATOM 1342 CB PHE A 80 10.967 -5.875 15.279 1.00 25.00 C ATOM 1343 CG PHE A 80 12.076 -6.208 14.329 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.046 -7.405 13.591 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.156 -5.322 14.153 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.080 -7.717 12.687 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.192 -5.617 13.244 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.154 -6.818 12.506 1.00 25.00 C ATOM 0 H PHE A 80 11.202 -3.632 14.270 1.00 25.00 H new ATOM 0 HA PHE A 80 9.363 -5.789 13.842 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.360 -5.250 16.081 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.604 -6.794 15.739 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.222 -8.092 13.719 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.191 -4.405 14.722 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.052 -8.643 12.132 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.012 -4.926 13.113 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.943 -7.049 11.805 1.00 25.00 H new ATOM 1358 N SER A 81 8.810 -3.693 16.278 1.00 25.00 N ATOM 1359 CA SER A 81 7.828 -3.290 17.287 1.00 25.00 C ATOM 1360 C SER A 81 6.510 -2.989 16.585 1.00 25.00 C ATOM 1361 O SER A 81 5.450 -3.467 16.985 1.00 25.00 O ATOM 1362 CB SER A 81 8.312 -2.053 18.051 1.00 25.00 C ATOM 1363 OG SER A 81 7.392 -1.688 19.064 1.00 25.00 O ATOM 0 H SER A 81 9.544 -3.006 16.105 1.00 25.00 H new ATOM 0 HA SER A 81 7.694 -4.097 18.007 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.287 -2.254 18.496 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.444 -1.222 17.358 1.00 25.00 H new ATOM 0 HG SER A 81 7.724 -0.897 19.538 1.00 25.00 H new ATOM 1369 N TYR A 82 6.604 -2.266 15.480 1.00 25.00 N ATOM 1370 CA TYR A 82 5.453 -1.975 14.641 1.00 25.00 C ATOM 1371 C TYR A 82 4.864 -3.272 14.116 1.00 25.00 C ATOM 1372 O TYR A 82 3.663 -3.480 14.165 1.00 25.00 O ATOM 1373 CB TYR A 82 5.880 -1.107 13.461 1.00 25.00 C ATOM 1374 CG TYR A 82 5.685 0.369 13.694 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.429 0.955 13.463 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.748 1.200 14.131 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.233 2.347 13.640 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.549 2.596 14.306 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.294 3.153 14.051 1.00 25.00 C ATOM 1380 OH TYR A 82 5.079 4.496 14.191 1.00 25.00 O ATOM 0 H TYR A 82 7.478 -1.865 15.140 1.00 25.00 H new ATOM 0 HA TYR A 82 4.707 -1.445 15.233 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.931 -1.296 13.244 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.314 -1.405 12.578 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.602 0.336 13.146 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.717 0.768 14.333 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.262 2.784 13.457 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.364 3.223 14.635 1.00 25.00 H new ATOM 0 HH TYR A 82 5.562 4.980 13.489 1.00 25.00 H new ATOM 1390 N TRP A 83 5.722 -4.163 13.644 1.00 25.00 N ATOM 1391 CA TRP A 83 5.286 -5.450 13.118 1.00 25.00 C ATOM 1392 C TRP A 83 4.514 -6.258 14.163 1.00 25.00 C ATOM 1393 O TRP A 83 3.507 -6.906 13.850 1.00 25.00 O ATOM 1394 CB TRP A 83 6.511 -6.250 12.667 1.00 25.00 C ATOM 1395 CG TRP A 83 6.165 -7.607 12.159 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.767 -7.950 10.910 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.173 -8.837 12.908 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.511 -9.286 10.814 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.744 -9.869 12.026 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.499 -9.174 14.239 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.621 -11.208 12.434 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.391 -10.525 14.653 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.950 -11.529 13.740 1.00 25.00 C ATOM 0 H TRP A 83 6.731 -4.018 13.614 1.00 25.00 H new ATOM 0 HA TRP A 83 4.619 -5.262 12.277 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.031 -5.697 11.885 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.203 -6.347 13.504 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.665 -7.252 10.092 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.197 -9.771 9.973 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.826 -8.413 14.932 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.279 -11.967 11.746 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.644 -10.797 15.667 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.872 -12.554 14.072 1.00 25.00 H new ATOM 1414 N ASN A 84 4.971 -6.200 15.407 1.00 25.00 N ATOM 1415 CA ASN A 84 4.328 -6.926 16.502 1.00 25.00 C ATOM 1416 C ASN A 84 2.914 -6.406 16.760 1.00 25.00 C ATOM 1417 O ASN A 84 2.043 -7.169 17.172 1.00 25.00 O ATOM 1418 CB ASN A 84 5.156 -6.814 17.788 1.00 25.00 C ATOM 1419 CG ASN A 84 6.077 -7.994 17.989 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.651 -9.065 18.400 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.331 -7.815 17.697 1.00 25.00 N ATOM 0 H ASN A 84 5.787 -5.656 15.687 1.00 25.00 H new ATOM 0 HA ASN A 84 4.265 -7.973 16.204 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.746 -5.898 17.757 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.484 -6.732 18.643 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.995 -8.581 17.808 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.651 -6.908 17.357 1.00 25.00 H new ATOM 1428 N LEU A 85 2.683 -5.127 16.489 1.00 25.00 N ATOM 1429 CA LEU A 85 1.370 -4.516 16.705 1.00 25.00 C ATOM 1430 C LEU A 85 0.350 -5.088 15.729 1.00 25.00 C ATOM 1431 O LEU A 85 -0.782 -5.365 16.087 1.00 25.00 O ATOM 1432 CB LEU A 85 1.471 -2.998 16.531 1.00 25.00 C ATOM 1433 CG LEU A 85 0.198 -2.201 16.848 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.545 -1.042 17.767 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.436 -1.671 15.558 1.00 25.00 C ATOM 0 H LEU A 85 3.387 -4.489 16.118 1.00 25.00 H new ATOM 0 HA LEU A 85 1.040 -4.739 17.720 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.275 -2.631 17.170 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.761 -2.788 15.501 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.519 -2.857 17.342 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.358 -0.474 17.994 1.00 25.00 H new ATOM 0 HD12 LEU A 85 0.973 -1.427 18.692 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.269 -0.392 17.275 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.338 -1.108 15.800 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.272 -1.019 15.046 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.694 -2.508 14.909 1.00 25.00 H new ATOM 1447 N ILE A 86 0.748 -5.300 14.487 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.179 -5.885 13.526 1.00 25.00 C ATOM 1449 C ILE A 86 -0.286 -7.386 13.794 1.00 25.00 C ATOM 1450 O ILE A 86 -1.334 -7.993 13.595 1.00 25.00 O ATOM 1451 CB ILE A 86 0.242 -5.628 12.071 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.361 -4.118 11.817 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.793 -6.210 11.106 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.770 -3.679 11.519 1.00 25.00 C ATOM 0 H ILE A 86 1.677 -5.085 14.125 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.150 -5.407 13.656 1.00 25.00 H new ATOM 0 HB ILE A 86 1.206 -6.109 11.904 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.283 -3.844 10.981 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.004 -3.579 12.691 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.481 -6.020 10.079 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.876 -7.285 11.267 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.761 -5.741 11.284 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.787 -2.602 11.349 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.414 -3.923 12.364 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.130 -4.193 10.628 1.00 25.00 H new ATOM 1466 N LYS A 87 0.784 -7.984 14.300 1.00 25.00 N ATOM 1467 CA LYS A 87 0.765 -9.405 14.624 1.00 25.00 C ATOM 1468 C LYS A 87 -0.317 -9.699 15.660 1.00 25.00 C ATOM 1469 O LYS A 87 -1.092 -10.621 15.469 1.00 25.00 O ATOM 1470 CB LYS A 87 2.158 -9.855 15.098 1.00 25.00 C ATOM 1471 CG LYS A 87 2.168 -10.864 16.242 1.00 25.00 C ATOM 1472 CD LYS A 87 3.576 -11.145 16.705 1.00 25.00 C ATOM 1473 CE LYS A 87 3.565 -11.797 18.083 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.946 -11.824 18.683 1.00 25.00 N ATOM 0 H LYS A 87 1.668 -7.514 14.494 1.00 25.00 H new ATOM 0 HA LYS A 87 0.520 -9.978 13.730 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.689 -10.288 14.250 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.719 -8.974 15.409 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.578 -10.481 17.074 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.697 -11.792 15.917 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.076 -11.799 15.991 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.146 -10.216 16.740 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.890 -11.250 18.742 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.180 -12.814 18.004 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 4.889 -12.147 19.670 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.548 -12.475 18.140 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.356 -10.869 18.654 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.408 -8.918 16.728 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.437 -9.178 17.742 1.00 25.00 C ATOM 1490 C GLU A 88 -2.823 -8.891 17.161 1.00 25.00 C ATOM 1491 O GLU A 88 -3.799 -9.560 17.501 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.193 -8.356 19.024 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.148 -6.844 18.814 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.927 -6.053 20.092 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.135 -6.602 21.194 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.628 -4.837 19.987 1.00 25.00 O ATOM 0 H GLU A 88 0.197 -8.119 16.918 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.382 -10.230 18.022 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.980 -8.586 19.742 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.251 -8.675 19.470 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.350 -6.608 18.109 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.083 -6.522 18.356 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.900 -7.929 16.250 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.170 -7.560 15.641 1.00 25.00 C ATOM 1505 C LEU A 89 -4.717 -8.645 14.721 1.00 25.00 C ATOM 1506 O LEU A 89 -5.911 -8.898 14.734 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.036 -6.235 14.888 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.032 -4.978 15.783 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.636 -3.753 14.957 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.402 -4.728 16.438 1.00 25.00 C ATOM 0 H LEU A 89 -2.099 -7.392 15.918 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.889 -7.441 16.452 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.113 -6.254 14.309 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.857 -6.154 14.176 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.306 -5.148 16.578 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.635 -2.869 15.595 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.639 -3.901 14.541 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.351 -3.615 14.146 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.351 -3.833 17.058 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.156 -4.590 15.663 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.671 -5.584 17.057 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.869 -9.307 13.944 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.349 -10.390 13.075 1.00 25.00 C ATOM 1524 C ILE A 90 -4.570 -11.654 13.904 1.00 25.00 C ATOM 1525 O ILE A 90 -5.557 -12.360 13.713 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.358 -10.763 11.925 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.033 -9.553 11.034 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.983 -11.886 11.033 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.765 -9.766 10.167 1.00 25.00 C ATOM 0 H ILE A 90 -2.867 -9.124 13.892 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.270 -10.019 12.625 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.435 -11.109 12.390 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.883 -9.349 10.382 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.894 -8.673 11.662 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.289 -12.143 10.233 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.177 -12.769 11.642 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.918 -11.530 10.602 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.586 -8.879 9.560 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.906 -9.941 10.815 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.910 -10.628 9.516 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.647 -11.950 14.812 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.707 -13.193 15.591 1.00 25.00 C ATOM 1543 C ASP A 91 -5.003 -13.251 16.391 1.00 25.00 C ATOM 1544 O ASP A 91 -5.613 -14.302 16.526 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.493 -13.290 16.526 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.292 -14.685 17.097 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -3.025 -15.071 18.032 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -1.338 -15.372 16.649 1.00 25.00 O ATOM 0 H ASP A 91 -2.849 -11.353 15.030 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.686 -14.040 14.905 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.597 -12.994 15.981 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.615 -12.582 17.346 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.454 -12.095 16.862 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.709 -11.996 17.609 1.00 25.00 C ATOM 1555 C LYS A 92 -7.731 -11.135 16.873 1.00 25.00 C ATOM 1556 O LYS A 92 -8.525 -10.431 17.500 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.422 -11.452 19.016 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.619 -12.427 19.888 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.506 -13.561 20.428 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.767 -14.902 20.468 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.704 -15.548 19.112 1.00 25.00 N ATOM 0 H LYS A 92 -4.969 -11.206 16.741 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.146 -12.990 17.698 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.873 -10.514 18.931 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.366 -11.225 19.511 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.801 -12.850 19.305 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.170 -11.887 20.721 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.848 -13.306 21.431 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -7.394 -13.655 19.803 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.756 -14.748 20.844 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -6.268 -15.572 21.166 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -5.241 -16.476 19.191 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -6.668 -15.672 18.741 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.159 -14.943 18.464 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.762 -11.222 15.544 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.761 -10.465 14.760 1.00 25.00 C ATOM 1577 C LYS A 93 -10.169 -10.958 15.084 1.00 25.00 C ATOM 1578 O LYS A 93 -11.142 -10.245 14.906 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.477 -10.507 13.245 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.581 -11.871 12.553 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.121 -11.737 11.085 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.016 -13.094 10.377 1.00 25.00 C ATOM 1583 NZ LYS A 93 -7.610 -12.967 8.913 1.00 25.00 N ATOM 0 H LYS A 93 -7.125 -11.794 14.989 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.685 -9.417 15.052 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.169 -9.824 12.752 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.472 -10.119 13.078 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.964 -12.603 13.074 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.608 -12.234 12.592 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.823 -11.102 10.544 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.152 -11.239 11.055 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.288 -13.715 10.899 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -8.976 -13.607 10.440 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -7.653 -13.901 8.458 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -8.260 -12.316 8.428 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -6.640 -12.597 8.853 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.239 -12.156 15.645 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.490 -12.766 16.100 1.00 25.00 C ATOM 1599 C GLU A 94 -12.223 -11.951 17.184 1.00 25.00 C ATOM 1600 O GLU A 94 -13.442 -12.011 17.275 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.175 -14.178 16.625 1.00 25.00 C ATOM 1602 CG GLU A 94 -10.190 -14.199 17.808 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.653 -15.586 18.115 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -10.413 -16.567 18.047 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.448 -15.681 18.442 1.00 25.00 O ATOM 0 H GLU A 94 -9.420 -12.744 15.801 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.168 -12.798 15.247 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -12.105 -14.657 16.931 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.762 -14.774 15.811 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -9.355 -13.533 17.589 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.688 -13.805 18.694 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.491 -11.169 17.972 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.091 -10.343 19.034 1.00 25.00 C ATOM 1614 C VAL A 95 -11.793 -8.860 18.809 1.00 25.00 C ATOM 1615 O VAL A 95 -12.042 -8.023 19.669 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.598 -10.777 20.454 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.195 -12.139 20.833 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.060 -10.841 20.515 1.00 25.00 C ATOM 0 H VAL A 95 -10.477 -11.085 17.901 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.169 -10.498 18.987 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.937 -10.027 21.169 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.843 -12.428 21.823 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.283 -12.070 20.840 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.884 -12.888 20.105 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.748 -11.145 21.514 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.697 -11.565 19.785 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.646 -9.858 20.289 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.288 -8.538 17.628 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.008 -7.149 17.250 1.00 25.00 C ATOM 1630 C ASN A 96 -11.751 -6.854 15.941 1.00 25.00 C ATOM 1631 O ASN A 96 -11.150 -6.855 14.865 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.498 -6.930 17.063 1.00 25.00 C ATOM 1633 CG ASN A 96 -8.762 -6.781 18.371 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -8.639 -5.687 18.899 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.232 -7.859 18.874 1.00 25.00 N ATOM 0 H ASN A 96 -11.060 -9.221 16.905 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.345 -6.476 18.038 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.079 -7.771 16.510 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.337 -6.038 16.457 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -7.692 -7.807 19.738 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.357 -8.756 18.404 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.073 -6.613 16.005 1.00 25.00 N ATOM 1643 CA PRO A 97 -13.791 -6.454 14.731 1.00 25.00 C ATOM 1644 C PRO A 97 -13.418 -5.205 13.930 1.00 25.00 C ATOM 1645 O PRO A 97 -13.602 -5.171 12.714 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.259 -6.419 15.170 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.217 -5.875 16.550 1.00 25.00 C ATOM 1648 CD PRO A 97 -13.993 -6.514 17.155 1.00 25.00 C ATOM 0 HA PRO A 97 -13.542 -7.259 14.039 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -15.856 -5.788 14.512 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.704 -7.414 15.148 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.141 -4.788 16.549 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.118 -6.130 17.108 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.574 -5.906 17.957 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.216 -7.493 17.580 1.00 25.00 H new ATOM 1656 N GLN A 98 -12.844 -4.204 14.588 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.419 -2.984 13.901 1.00 25.00 C ATOM 1658 C GLN A 98 -11.347 -3.341 12.901 1.00 25.00 C ATOM 1659 O GLN A 98 -11.347 -2.867 11.766 1.00 25.00 O ATOM 1660 CB GLN A 98 -11.809 -1.973 14.880 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.794 -1.266 15.788 1.00 25.00 C ATOM 1662 CD GLN A 98 -13.450 -2.188 16.797 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -12.845 -3.140 17.271 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -14.693 -1.929 17.103 1.00 25.00 N ATOM 0 H GLN A 98 -12.662 -4.210 15.592 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.295 -2.544 13.424 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -11.077 -2.491 15.500 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.266 -1.221 14.307 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.278 -0.466 16.319 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -13.567 -0.797 15.179 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -15.164 -1.126 16.687 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -15.193 -2.530 17.758 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.410 -4.169 13.339 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.297 -4.523 12.489 1.00 25.00 C ATOM 1675 C VAL A 99 -9.672 -5.671 11.573 1.00 25.00 C ATOM 1676 O VAL A 99 -9.201 -5.719 10.471 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.001 -4.826 13.301 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -7.949 -6.277 13.792 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -6.782 -4.517 12.449 1.00 25.00 C ATOM 0 H VAL A 99 -10.402 -4.599 14.264 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.068 -3.656 11.869 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.007 -4.189 14.185 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.028 -6.439 14.352 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.805 -6.474 14.437 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -7.977 -6.952 12.936 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -5.877 -4.729 13.018 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -6.799 -5.135 11.551 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -6.794 -3.465 12.165 1.00 25.00 H new ATOM 1689 N MET A 100 -10.562 -6.561 11.991 1.00 25.00 N ATOM 1690 CA MET A 100 -10.973 -7.682 11.142 1.00 25.00 C ATOM 1691 C MET A 100 -11.576 -7.174 9.835 1.00 25.00 C ATOM 1692 O MET A 100 -11.253 -7.674 8.757 1.00 25.00 O ATOM 1693 CB MET A 100 -11.971 -8.561 11.896 1.00 25.00 C ATOM 1694 CG MET A 100 -12.394 -9.819 11.151 1.00 25.00 C ATOM 1695 SD MET A 100 -13.863 -9.529 10.140 1.00 25.00 S ATOM 1696 CE MET A 100 -13.444 -10.410 8.631 1.00 25.00 C ATOM 0 H MET A 100 -11.013 -6.533 12.905 1.00 25.00 H new ATOM 0 HA MET A 100 -10.096 -8.280 10.895 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.532 -8.850 12.851 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.859 -7.970 12.119 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.576 -10.159 10.516 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.595 -10.616 11.867 1.00 25.00 H new ATOM 0 HE1 MET A 100 -14.261 -10.316 7.916 1.00 25.00 H new ATOM 0 HE2 MET A 100 -12.536 -9.986 8.202 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.280 -11.463 8.858 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.377 -6.122 9.926 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.953 -5.501 8.739 1.00 25.00 C ATOM 1708 C ALA A 101 -11.861 -4.884 7.851 1.00 25.00 C ATOM 1709 O ALA A 101 -12.003 -4.822 6.637 1.00 25.00 O ATOM 1710 CB ALA A 101 -13.960 -4.432 9.164 1.00 25.00 C ATOM 0 H ALA A 101 -12.643 -5.681 10.806 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.461 -6.268 8.155 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.392 -3.966 8.278 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.752 -4.892 9.755 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.455 -3.674 9.763 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.771 -4.437 8.459 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.670 -3.841 7.720 1.00 25.00 C ATOM 1718 C ALA A 102 -8.785 -4.936 7.126 1.00 25.00 C ATOM 1719 O ALA A 102 -8.201 -4.748 6.077 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.852 -2.934 8.636 1.00 25.00 C ATOM 0 H ALA A 102 -10.627 -4.477 9.468 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.074 -3.239 6.906 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.030 -2.493 8.072 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.490 -2.141 9.027 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.451 -3.519 9.464 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.694 -6.082 7.787 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.903 -7.199 7.272 1.00 25.00 C ATOM 1728 C VAL A 103 -8.534 -7.639 5.968 1.00 25.00 C ATOM 1729 O VAL A 103 -7.856 -7.729 4.950 1.00 25.00 O ATOM 1730 CB VAL A 103 -7.866 -8.402 8.268 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.202 -9.618 7.626 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.095 -8.022 9.548 1.00 25.00 C ATOM 0 H VAL A 103 -9.155 -6.266 8.678 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.873 -6.872 7.130 1.00 25.00 H new ATOM 0 HB VAL A 103 -8.896 -8.651 8.525 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.188 -10.443 8.338 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.763 -9.913 6.740 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.180 -9.367 7.341 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.080 -8.872 10.230 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.073 -7.747 9.289 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.587 -7.178 10.032 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.845 -7.837 5.994 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.577 -8.253 4.808 1.00 25.00 C ATOM 1744 C ALA A 104 -10.434 -7.205 3.702 1.00 25.00 C ATOM 1745 O ALA A 104 -10.150 -7.535 2.563 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.046 -8.471 5.163 1.00 25.00 C ATOM 0 H ALA A 104 -10.423 -7.716 6.825 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.163 -9.192 4.439 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.593 -8.783 4.273 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.125 -9.245 5.927 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.470 -7.542 5.543 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.577 -5.938 4.055 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.421 -4.871 3.075 1.00 25.00 C ATOM 1754 C GLN A 105 -9.006 -4.789 2.509 1.00 25.00 C ATOM 1755 O GLN A 105 -8.838 -4.485 1.341 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.804 -3.526 3.680 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.301 -3.283 3.668 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.659 -1.917 4.193 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.501 -0.911 3.513 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.133 -1.868 5.407 1.00 25.00 N ATOM 0 H GLN A 105 -10.798 -5.624 5.000 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.092 -5.112 2.251 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.441 -3.477 4.706 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.306 -2.729 3.128 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.677 -3.389 2.650 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.796 -4.044 4.272 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.251 -2.727 5.944 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.386 -0.970 5.820 1.00 25.00 H new ATOM 1769 N THR A 106 -7.980 -5.078 3.298 1.00 25.00 N ATOM 1770 CA THR A 106 -6.623 -5.020 2.769 1.00 25.00 C ATOM 1771 C THR A 106 -6.465 -6.169 1.775 1.00 25.00 C ATOM 1772 O THR A 106 -5.888 -5.996 0.712 1.00 25.00 O ATOM 1773 CB THR A 106 -5.548 -5.129 3.872 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.851 -4.242 4.945 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.180 -4.741 3.347 1.00 25.00 C ATOM 0 H THR A 106 -8.055 -5.348 4.279 1.00 25.00 H new ATOM 0 HA THR A 106 -6.476 -4.052 2.290 1.00 25.00 H new ATOM 0 HB THR A 106 -5.541 -6.166 4.208 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.548 -4.637 5.509 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.445 -4.828 4.147 1.00 25.00 H new ATOM 0 HG22 THR A 106 -3.904 -5.404 2.527 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.206 -3.712 2.989 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.038 -7.324 2.095 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.020 -8.468 1.178 1.00 25.00 C ATOM 1785 C GLU A 107 -7.752 -8.135 -0.128 1.00 25.00 C ATOM 1786 O GLU A 107 -7.306 -8.539 -1.193 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.646 -9.708 1.839 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.801 -10.260 2.974 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.448 -11.428 3.712 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.401 -11.213 4.489 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.910 -12.556 3.603 1.00 25.00 O ATOM 0 H GLU A 107 -7.520 -7.497 2.977 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.979 -8.690 0.942 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.634 -9.451 2.220 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.786 -10.484 1.086 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.839 -10.583 2.575 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.598 -9.460 3.686 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.839 -7.374 -0.054 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.574 -6.938 -1.255 1.00 25.00 C ATOM 1800 C GLU A 108 -8.732 -5.989 -2.110 1.00 25.00 C ATOM 1801 O GLU A 108 -8.605 -6.166 -3.324 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.850 -6.173 -0.870 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.974 -7.002 -0.278 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.080 -6.110 0.287 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.621 -5.267 -0.471 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.377 -6.214 1.497 1.00 25.00 O ATOM 0 H GLU A 108 -9.238 -7.041 0.824 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.815 -7.843 -1.812 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.581 -5.398 -0.153 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.228 -5.668 -1.759 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.388 -7.658 -1.044 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.580 -7.642 0.512 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.182 -4.965 -1.469 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.423 -3.918 -2.160 1.00 25.00 C ATOM 1815 C ILE A 109 -6.197 -4.522 -2.826 1.00 25.00 C ATOM 1816 O ILE A 109 -5.846 -4.154 -3.940 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.007 -2.782 -1.159 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.267 -2.023 -0.684 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.011 -1.776 -1.813 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.077 -1.230 0.614 1.00 25.00 C ATOM 0 H ILE A 109 -8.246 -4.833 -0.460 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.057 -3.474 -2.928 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.507 -3.249 -0.310 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.582 -1.338 -1.471 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.076 -2.740 -0.543 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.746 -1.004 -1.090 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.111 -2.306 -2.125 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.479 -1.314 -2.682 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.009 -0.729 0.874 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.794 -1.910 1.418 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.292 -0.487 0.475 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.576 -5.492 -2.178 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.391 -6.143 -2.734 1.00 25.00 C ATOM 1834 C LEU A 110 -4.663 -6.877 -4.051 1.00 25.00 C ATOM 1835 O LEU A 110 -3.799 -6.909 -4.913 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.791 -7.097 -1.699 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.649 -6.525 -0.825 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.804 -5.043 -0.418 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.508 -7.370 0.442 1.00 25.00 C ATOM 0 H LEU A 110 -5.868 -5.849 -1.268 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.676 -5.355 -2.970 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.591 -7.435 -1.040 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.415 -7.977 -2.221 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.760 -6.570 -1.453 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.952 -4.742 0.192 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.847 -4.422 -1.313 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.723 -4.917 0.155 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.704 -6.969 1.059 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.443 -7.345 1.002 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.277 -8.400 0.169 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.870 -7.395 -4.252 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.220 -8.023 -5.539 1.00 25.00 C ATOM 1853 C LYS A 111 -6.310 -6.987 -6.649 1.00 25.00 C ATOM 1854 O LYS A 111 -6.074 -7.288 -7.809 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.573 -8.748 -5.450 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.686 -9.733 -4.300 1.00 25.00 C ATOM 1857 CD LYS A 111 -6.750 -10.917 -4.438 1.00 25.00 C ATOM 1858 CE LYS A 111 -6.350 -11.440 -3.074 1.00 25.00 C ATOM 1859 NZ LYS A 111 -7.495 -11.762 -2.165 1.00 25.00 N ATOM 0 H LYS A 111 -6.618 -7.398 -3.558 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.430 -8.739 -5.765 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.364 -8.004 -5.353 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.748 -9.280 -6.385 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.473 -9.216 -3.364 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -8.713 -10.094 -4.238 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -7.237 -11.708 -5.009 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -5.861 -10.622 -4.996 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -5.747 -12.338 -3.207 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -5.716 -10.699 -2.588 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -7.129 -12.096 -1.251 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -8.071 -10.909 -2.017 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.082 -12.505 -2.595 1.00 25.00 H new ATOM 1873 N SER A 112 -6.706 -5.778 -6.283 1.00 25.00 N ATOM 1874 CA SER A 112 -6.846 -4.679 -7.237 1.00 25.00 C ATOM 1875 C SER A 112 -5.514 -3.982 -7.502 1.00 25.00 C ATOM 1876 O SER A 112 -5.386 -3.193 -8.439 1.00 25.00 O ATOM 1877 CB SER A 112 -7.836 -3.656 -6.688 1.00 25.00 C ATOM 1878 OG SER A 112 -8.220 -2.734 -7.692 1.00 25.00 O ATOM 0 H SER A 112 -6.939 -5.527 -5.322 1.00 25.00 H new ATOM 0 HA SER A 112 -7.204 -5.100 -8.177 1.00 25.00 H new ATOM 0 HB2 SER A 112 -8.718 -4.168 -6.303 1.00 25.00 H new ATOM 0 HB3 SER A 112 -7.386 -3.122 -5.851 1.00 25.00 H new ATOM 0 HG SER A 112 -7.438 -2.493 -8.231 1.00 25.00 H new ATOM 1884 N ASN A 113 -4.564 -4.197 -6.607 1.00 25.00 N ATOM 1885 CA ASN A 113 -3.287 -3.487 -6.636 1.00 25.00 C ATOM 1886 C ASN A 113 -2.372 -3.937 -7.771 1.00 25.00 C ATOM 1887 O ASN A 113 -2.343 -5.106 -8.150 1.00 25.00 O ATOM 1888 CB ASN A 113 -2.561 -3.694 -5.307 1.00 25.00 C ATOM 1889 CG ASN A 113 -1.508 -2.652 -5.059 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -0.329 -2.883 -5.264 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -1.926 -1.503 -4.620 1.00 25.00 N ATOM 0 H ASN A 113 -4.651 -4.865 -5.841 1.00 25.00 H new ATOM 0 HA ASN A 113 -3.518 -2.435 -6.803 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -3.286 -3.674 -4.493 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -2.100 -4.682 -5.299 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -1.258 -0.755 -4.434 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -2.922 -1.349 -4.461 1.00 25.00 H new ATOM 1898 N SER A 114 -1.586 -3.006 -8.281 1.00 25.00 N ATOM 1899 CA SER A 114 -0.614 -3.308 -9.317 1.00 25.00 C ATOM 1900 C SER A 114 0.564 -4.085 -8.731 1.00 25.00 C ATOM 1901 O SER A 114 1.316 -3.557 -7.911 1.00 25.00 O ATOM 1902 CB SER A 114 -0.118 -2.001 -9.916 1.00 25.00 C ATOM 1903 OG SER A 114 0.279 -1.110 -8.889 1.00 25.00 O ATOM 0 H SER A 114 -1.602 -2.028 -7.992 1.00 25.00 H new ATOM 0 HA SER A 114 -1.083 -3.920 -10.087 1.00 25.00 H new ATOM 0 HB2 SER A 114 0.721 -2.194 -10.584 1.00 25.00 H new ATOM 0 HB3 SER A 114 -0.905 -1.546 -10.517 1.00 25.00 H new ATOM 0 HG SER A 114 0.884 -1.572 -8.271 1.00 25.00 H new ATOM 1909 N GLN A 115 0.740 -5.324 -9.179 1.00 25.00 N ATOM 1910 CA GLN A 115 1.808 -6.201 -8.681 1.00 25.00 C ATOM 1911 C GLN A 115 3.178 -5.534 -8.582 1.00 25.00 C ATOM 1912 O GLN A 115 3.840 -5.631 -7.549 1.00 25.00 O ATOM 1913 CB GLN A 115 1.963 -7.408 -9.604 1.00 25.00 C ATOM 1914 CG GLN A 115 0.937 -8.500 -9.404 1.00 25.00 C ATOM 1915 CD GLN A 115 1.273 -9.731 -10.220 1.00 25.00 C ATOM 1916 OE1 GLN A 115 0.658 -10.000 -11.238 1.00 25.00 O ATOM 1917 NE2 GLN A 115 2.273 -10.458 -9.796 1.00 25.00 N ATOM 0 H GLN A 115 0.152 -5.752 -9.894 1.00 25.00 H new ATOM 0 HA GLN A 115 1.497 -6.480 -7.674 1.00 25.00 H new ATOM 0 HB2 GLN A 115 1.910 -7.065 -10.637 1.00 25.00 H new ATOM 0 HB3 GLN A 115 2.956 -7.832 -9.459 1.00 25.00 H new ATOM 0 HG2 GLN A 115 0.886 -8.765 -8.348 1.00 25.00 H new ATOM 0 HG3 GLN A 115 -0.049 -8.131 -9.688 1.00 25.00 H new ATOM 0 HE21 GLN A 115 2.763 -10.201 -8.939 1.00 25.00 H new ATOM 0 HE22 GLN A 115 2.563 -11.282 -10.322 1.00 25.00 H new ATOM 1926 N THR A 116 3.592 -4.877 -9.663 1.00 25.00 N ATOM 1927 CA THR A 116 4.912 -4.243 -9.752 1.00 25.00 C ATOM 1928 C THR A 116 5.993 -5.269 -9.385 1.00 25.00 C ATOM 1929 O THR A 116 6.831 -5.072 -8.505 1.00 25.00 O ATOM 1930 CB THR A 116 4.976 -3.017 -8.852 1.00 25.00 C ATOM 1931 OG1 THR A 116 3.735 -2.307 -8.940 1.00 25.00 O ATOM 1932 CG2 THR A 116 6.088 -2.078 -9.281 1.00 25.00 C ATOM 0 H THR A 116 3.025 -4.767 -10.503 1.00 25.00 H new ATOM 0 HA THR A 116 5.088 -3.905 -10.773 1.00 25.00 H new ATOM 0 HB THR A 116 5.167 -3.354 -7.833 1.00 25.00 H new ATOM 0 HG1 THR A 116 3.044 -2.794 -8.445 1.00 25.00 H new ATOM 0 HG21 THR A 116 6.108 -1.212 -8.619 1.00 25.00 H new ATOM 0 HG22 THR A 116 7.044 -2.598 -9.228 1.00 25.00 H new ATOM 0 HG23 THR A 116 5.911 -1.748 -10.305 1.00 25.00 H new ATOM 1940 N ASP A 117 5.892 -6.404 -10.052 1.00 25.00 N ATOM 1941 CA ASP A 117 6.734 -7.571 -9.793 1.00 25.00 C ATOM 1942 C ASP A 117 7.695 -7.850 -10.943 1.00 25.00 C ATOM 1943 O ASP A 117 7.450 -7.441 -12.076 1.00 25.00 O ATOM 1944 CB ASP A 117 5.848 -8.808 -9.607 1.00 25.00 C ATOM 1945 CG ASP A 117 5.495 -9.063 -8.160 1.00 25.00 C ATOM 1946 OD1 ASP A 117 6.428 -9.162 -7.335 1.00 25.00 O ATOM 1947 OD2 ASP A 117 4.301 -9.300 -7.867 1.00 25.00 O ATOM 0 H ASP A 117 5.215 -6.549 -10.801 1.00 25.00 H new ATOM 0 HA ASP A 117 7.314 -7.358 -8.895 1.00 25.00 H new ATOM 0 HB2 ASP A 117 4.931 -8.683 -10.183 1.00 25.00 H new ATOM 0 HB3 ASP A 117 6.361 -9.681 -10.010 1.00 25.00 H new ATOM 1952 N LEU A 118 8.735 -8.620 -10.621 1.00 25.00 N ATOM 1953 CA LEU A 118 9.759 -9.123 -11.532 1.00 25.00 C ATOM 1954 C LEU A 118 10.666 -8.102 -12.227 1.00 25.00 C ATOM 1955 O LEU A 118 10.238 -7.096 -12.772 1.00 25.00 O ATOM 1956 CB LEU A 118 9.137 -10.037 -12.584 1.00 25.00 C ATOM 1957 CG LEU A 118 8.203 -11.171 -12.126 1.00 25.00 C ATOM 1958 CD1 LEU A 118 7.615 -11.867 -13.351 1.00 25.00 C ATOM 1959 CD2 LEU A 118 8.941 -12.197 -11.254 1.00 25.00 C ATOM 0 H LEU A 118 8.893 -8.926 -9.661 1.00 25.00 H new ATOM 0 HA LEU A 118 10.430 -9.657 -10.859 1.00 25.00 H new ATOM 0 HB2 LEU A 118 8.577 -9.409 -13.277 1.00 25.00 H new ATOM 0 HB3 LEU A 118 9.951 -10.489 -13.150 1.00 25.00 H new ATOM 0 HG LEU A 118 7.408 -10.733 -11.523 1.00 25.00 H new ATOM 0 HD11 LEU A 118 6.953 -12.671 -13.030 1.00 25.00 H new ATOM 0 HD12 LEU A 118 7.050 -11.146 -13.943 1.00 25.00 H new ATOM 0 HD13 LEU A 118 8.421 -12.281 -13.956 1.00 25.00 H new ATOM 0 HD21 LEU A 118 8.248 -12.982 -10.950 1.00 25.00 H new ATOM 0 HD22 LEU A 118 9.760 -12.636 -11.823 1.00 25.00 H new ATOM 0 HD23 LEU A 118 9.339 -11.702 -10.368 1.00 25.00 H new ATOM 1971 N GLU A 119 11.950 -8.426 -12.241 1.00 25.00 N ATOM 1972 CA GLU A 119 12.954 -7.639 -12.943 1.00 25.00 C ATOM 1973 C GLU A 119 14.090 -8.628 -13.239 1.00 25.00 C ATOM 1974 O GLU A 119 13.932 -9.823 -12.997 1.00 25.00 O ATOM 1975 CB GLU A 119 13.378 -6.402 -12.106 1.00 25.00 C ATOM 1976 CG GLU A 119 14.535 -6.564 -11.113 1.00 25.00 C ATOM 1977 CD GLU A 119 14.349 -7.703 -10.133 1.00 25.00 C ATOM 1978 OE1 GLU A 119 13.776 -7.484 -9.058 1.00 25.00 O ATOM 1979 OE2 GLU A 119 14.895 -8.800 -10.391 1.00 25.00 O ATOM 0 H GLU A 119 12.327 -9.245 -11.764 1.00 25.00 H new ATOM 0 HA GLU A 119 12.590 -7.203 -13.874 1.00 25.00 H new ATOM 0 HB2 GLU A 119 13.644 -5.605 -12.800 1.00 25.00 H new ATOM 0 HB3 GLU A 119 12.505 -6.062 -11.549 1.00 25.00 H new ATOM 0 HG2 GLU A 119 15.458 -6.724 -11.670 1.00 25.00 H new ATOM 0 HG3 GLU A 119 14.655 -5.635 -10.556 1.00 25.00 H new ATOM 1986 N HIS A 120 15.216 -8.164 -13.765 1.00 25.00 N ATOM 1987 CA HIS A 120 16.339 -9.054 -14.086 1.00 25.00 C ATOM 1988 C HIS A 120 17.571 -8.731 -13.217 1.00 25.00 C ATOM 1989 O HIS A 120 18.671 -8.508 -13.735 1.00 25.00 O ATOM 1990 CB HIS A 120 16.642 -8.940 -15.587 1.00 25.00 C ATOM 1991 CG HIS A 120 17.300 -10.154 -16.166 1.00 25.00 C ATOM 1992 ND1 HIS A 120 18.683 -10.346 -16.192 1.00 25.00 N ATOM 1993 CD2 HIS A 120 16.786 -11.262 -16.764 1.00 25.00 C ATOM 1994 CE1 HIS A 120 18.942 -11.507 -16.787 1.00 25.00 C ATOM 1995 NE2 HIS A 120 17.816 -12.074 -17.131 1.00 25.00 N ATOM 0 H HIS A 120 15.382 -7.181 -13.980 1.00 25.00 H new ATOM 0 HA HIS A 120 16.070 -10.086 -13.860 1.00 25.00 H new ATOM 0 HB2 HIS A 120 15.711 -8.753 -16.123 1.00 25.00 H new ATOM 0 HB3 HIS A 120 17.285 -8.076 -15.753 1.00 25.00 H new ATOM 0 HD2 HIS A 120 15.737 -11.464 -16.921 1.00 25.00 H new ATOM 0 HE1 HIS A 120 19.927 -11.916 -16.959 1.00 25.00 H new ATOM 0 HE2 HIS A 120 17.724 -12.976 -17.598 1.00 25.00 H new ATOM 2003 N HIS A 121 17.376 -8.650 -11.903 1.00 25.00 N ATOM 2004 CA HIS A 121 18.438 -8.226 -10.970 1.00 25.00 C ATOM 2005 C HIS A 121 18.389 -9.028 -9.660 1.00 25.00 C ATOM 2006 O HIS A 121 17.327 -9.234 -9.101 1.00 25.00 O ATOM 2007 CB HIS A 121 18.240 -6.732 -10.669 1.00 25.00 C ATOM 2008 CG HIS A 121 19.366 -6.102 -9.909 1.00 25.00 C ATOM 2009 ND1 HIS A 121 20.539 -5.633 -10.509 1.00 25.00 N ATOM 2010 CD2 HIS A 121 19.516 -5.812 -8.589 1.00 25.00 C ATOM 2011 CE1 HIS A 121 21.317 -5.102 -9.571 1.00 25.00 C ATOM 2012 NE2 HIS A 121 20.721 -5.203 -8.412 1.00 25.00 N ATOM 0 H HIS A 121 16.490 -8.872 -11.450 1.00 25.00 H new ATOM 0 HA HIS A 121 19.410 -8.406 -11.429 1.00 25.00 H new ATOM 0 HB2 HIS A 121 18.109 -6.198 -11.610 1.00 25.00 H new ATOM 0 HB3 HIS A 121 17.319 -6.607 -10.100 1.00 25.00 H new ATOM 0 HD2 HIS A 121 18.799 -6.029 -7.811 1.00 25.00 H new ATOM 0 HE1 HIS A 121 22.287 -4.658 -9.740 1.00 25.00 H new ATOM 0 HE2 HIS A 121 21.097 -4.879 -7.521 1.00 25.00 H new ATOM 2020 N HIS A 122 19.550 -9.444 -9.153 1.00 25.00 N ATOM 2021 CA HIS A 122 19.625 -10.259 -7.919 1.00 25.00 C ATOM 2022 C HIS A 122 18.737 -11.503 -8.145 1.00 25.00 C ATOM 2023 O HIS A 122 18.775 -12.057 -9.230 1.00 25.00 O ATOM 2024 CB HIS A 122 19.210 -9.415 -6.685 1.00 25.00 C ATOM 2025 CG HIS A 122 19.741 -9.927 -5.376 1.00 25.00 C ATOM 2026 ND1 HIS A 122 19.246 -9.517 -4.130 1.00 25.00 N ATOM 2027 CD2 HIS A 122 20.743 -10.802 -5.074 1.00 25.00 C ATOM 2028 CE1 HIS A 122 19.934 -10.131 -3.172 1.00 25.00 C ATOM 2029 NE2 HIS A 122 20.834 -10.905 -3.717 1.00 25.00 N ATOM 0 H HIS A 122 20.457 -9.235 -9.571 1.00 25.00 H new ATOM 0 HA HIS A 122 20.643 -10.589 -7.709 1.00 25.00 H new ATOM 0 HB2 HIS A 122 19.555 -8.391 -6.828 1.00 25.00 H new ATOM 0 HB3 HIS A 122 18.122 -9.380 -6.633 1.00 25.00 H new ATOM 0 HD2 HIS A 122 21.360 -11.325 -5.789 1.00 25.00 H new ATOM 0 HE1 HIS A 122 19.774 -10.009 -2.111 1.00 25.00 H new ATOM 0 HE2 HIS A 122 21.497 -11.491 -3.210 1.00 25.00 H new ATOM 2037 N HIS A 123 17.958 -11.920 -7.146 1.00 25.00 N ATOM 2038 CA HIS A 123 17.014 -13.052 -7.282 1.00 25.00 C ATOM 2039 C HIS A 123 17.642 -14.321 -7.901 1.00 25.00 C ATOM 2040 O HIS A 123 17.165 -14.825 -8.905 1.00 25.00 O ATOM 2041 CB HIS A 123 15.782 -12.621 -8.107 1.00 25.00 C ATOM 2042 CG HIS A 123 14.934 -11.585 -7.430 1.00 25.00 C ATOM 2043 ND1 HIS A 123 14.672 -10.319 -7.966 1.00 25.00 N ATOM 2044 CD2 HIS A 123 14.240 -11.607 -6.256 1.00 25.00 C ATOM 2045 CE1 HIS A 123 13.872 -9.659 -7.136 1.00 25.00 C ATOM 2046 NE2 HIS A 123 13.606 -10.411 -6.105 1.00 25.00 N ATOM 0 H HIS A 123 17.956 -11.491 -6.221 1.00 25.00 H new ATOM 0 HA HIS A 123 16.718 -13.320 -6.268 1.00 25.00 H new ATOM 0 HB2 HIS A 123 16.118 -12.231 -9.068 1.00 25.00 H new ATOM 0 HB3 HIS A 123 15.170 -13.499 -8.315 1.00 25.00 H new ATOM 0 HD1 HIS A 123 15.036 -9.962 -8.849 1.00 25.00 H new ATOM 0 HD2 HIS A 123 14.200 -12.434 -5.563 1.00 25.00 H new ATOM 0 HE1 HIS A 123 13.500 -8.657 -7.291 1.00 25.00 H new ATOM 2054 N HIS A 124 18.681 -14.840 -7.246 1.00 25.00 N ATOM 2055 CA HIS A 124 19.411 -16.049 -7.692 1.00 25.00 C ATOM 2056 C HIS A 124 20.076 -15.823 -9.064 1.00 25.00 C ATOM 2057 O HIS A 124 20.649 -14.752 -9.315 1.00 25.00 O ATOM 2058 CB HIS A 124 18.498 -17.302 -7.732 1.00 25.00 C ATOM 2059 CG HIS A 124 17.613 -17.455 -6.534 1.00 25.00 C ATOM 2060 ND1 HIS A 124 16.222 -17.317 -6.586 1.00 25.00 N ATOM 2061 CD2 HIS A 124 17.880 -17.770 -5.237 1.00 25.00 C ATOM 2062 CE1 HIS A 124 15.725 -17.539 -5.374 1.00 25.00 C ATOM 2063 NE2 HIS A 124 16.705 -17.809 -4.551 1.00 25.00 N ATOM 0 H HIS A 124 19.050 -14.438 -6.384 1.00 25.00 H new ATOM 0 HA HIS A 124 20.191 -16.235 -6.954 1.00 25.00 H new ATOM 0 HB2 HIS A 124 17.876 -17.256 -8.626 1.00 25.00 H new ATOM 0 HB3 HIS A 124 19.123 -18.190 -7.824 1.00 25.00 H new ATOM 0 HD2 HIS A 124 18.859 -17.957 -4.822 1.00 25.00 H new ATOM 0 HE1 HIS A 124 14.678 -17.502 -5.110 1.00 25.00 H new ATOM 0 HE2 HIS A 124 16.605 -18.015 -3.557 1.00 25.00 H new ATOM 2071 N HIS A 125 20.045 -16.842 -9.907 1.00 25.00 N ATOM 2072 CA HIS A 125 20.585 -16.806 -11.254 1.00 25.00 C ATOM 2073 C HIS A 125 19.814 -17.913 -11.923 1.00 25.00 C ATOM 2074 O HIS A 125 19.146 -18.632 -11.143 1.00 25.00 O ATOM 2075 CB HIS A 125 22.081 -17.119 -11.273 1.00 25.00 C ATOM 2076 CG HIS A 125 22.907 -16.014 -11.842 1.00 25.00 C ATOM 2077 ND1 HIS A 125 22.805 -14.688 -11.421 1.00 25.00 N ATOM 2078 CD2 HIS A 125 23.848 -15.995 -12.822 1.00 25.00 C ATOM 2079 CE1 HIS A 125 23.657 -13.950 -12.124 1.00 25.00 C ATOM 2080 NE2 HIS A 125 24.296 -14.718 -12.967 1.00 25.00 N ATOM 2081 OXT HIS A 125 19.879 -18.065 -13.150 1.00 25.00 O ATOM 0 H HIS A 125 19.631 -17.742 -9.665 1.00 25.00 H new ATOM 0 HA HIS A 125 20.489 -15.830 -11.731 1.00 25.00 H new ATOM 0 HB2 HIS A 125 22.415 -17.327 -10.256 1.00 25.00 H new ATOM 0 HB3 HIS A 125 22.248 -18.025 -11.855 1.00 25.00 H new ATOM 0 HD1 HIS A 125 22.179 -14.342 -10.693 1.00 25.00 H new ATOM 0 HD2 HIS A 125 24.184 -16.850 -13.390 1.00 25.00 H new ATOM 0 HE1 HIS A 125 23.799 -12.885 -12.016 1.00 25.00 H new TER 2089 HIS A 125