USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1035 hydrogens (27 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 THR OG1 : rot -98:sc= 1.24 USER MOD Set 1.2: A 125 HIS : no HE2:sc= -0.419 K(o=0.82,f=-3.6!) USER MOD Set 2.1: A 11 TYR OH : rot 23:sc= 0.561 USER MOD Set 2.2: A 106 THR OG1 : rot 81:sc= 1.78 USER MOD Set 3.1: A 17 GLN : amide:sc=-0.00301 X(o=-0.3,f=-0.29) USER MOD Set 3.2: A 98 GLN : amide:sc= -0.292 K(o=-0.3,f=-0.86) USER MOD Set 4.1: A 84 ASN : amide:sc= 0.618 K(o=1.2,f=-2.2!) USER MOD Set 4.2: A 87 LYS NZ :NH3+ 140:sc= 0.595 (180deg=0) USER MOD Set 5.1: A 66 TYR OH : rot 2:sc= 0.757 USER MOD Set 5.2: A 74 LYS NZ :NH3+ 164:sc= 0.442 (180deg=-0.0933) USER MOD Set 6.1: A 64 GLN : amide:sc= 0.255 K(o=0.61,f=-0.3) USER MOD Set 6.2: A 68 ASN : amide:sc= 0.353 K(o=0.61,f=-1.2) USER MOD Set 7.1: A 42 CYS SG : rot -52:sc= 0.511 USER MOD Set 7.2: A 62 CYS SG : rot -129:sc= 0.69 USER MOD Set 8.1: A 39 LYS NZ :NH3+ 146:sc= 1.03 (180deg=0) USER MOD Set 8.2: A 113 ASN : amide:sc= 0.889 K(o=1.9,f=-2.2) USER MOD Single : A 3 GLN : amide:sc= 0.485 X(o=0.48,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.837 K(o=0.84,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.255 K(o=0.26,f=-1.7!) USER MOD Single : A 14 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.088) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0.0494 (180deg=0.0464) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0.841 (180deg=0.804) USER MOD Single : A 41 THR OG1 : rot 168:sc= 0.006 USER MOD Single : A 47 GLN : amide:sc= 0.239 X(o=0.24,f=-0.05) USER MOD Single : A 50 THR OG1 : rot 71:sc= 0.785 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 150:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.07) USER MOD Single : A 93 LYS NZ :NH3+ 144:sc= 0.743 (180deg=0.148) USER MOD Single : A 96 ASN : amide:sc= 0.621 K(o=0.62,f=0) USER MOD Single : A 100 MET CE :methyl -145:sc= -0.0712 (180deg=-0.385) USER MOD Single : A 105 GLN : amide:sc= 0.45 K(o=0.45,f=-2.3!) USER MOD Single : A 111 LYS NZ :NH3+ -121:sc= 1.21 (180deg=-0.0871) USER MOD Single : A 112 SER OG : rot -39:sc= 0.0843 USER MOD Single : A 114 SER OG : rot 40:sc= 1.26 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot -20:sc= 0.981 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 121 HIS : no HD1:sc= 0.307 K(o=0.31,f=-4.6!) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 HIS :FLIP no HD1:sc= -0.0229 F(o=-0.82,f=-0.023) USER MOD Single : A 124 HIS : no HD1:sc=-0.00582 X(o=-0.0058,f=-0.18) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.190 1.054 0.974 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.919 1.530 0.871 1.00 25.00 O HETATM 3 C2 MYR A 1 0.821 0.244 -0.145 1.00 25.00 C HETATM 4 C3 MYR A 1 0.412 -1.256 -0.058 1.00 25.00 C HETATM 5 C4 MYR A 1 1.180 -1.985 1.078 1.00 25.00 C HETATM 6 C5 MYR A 1 0.781 -3.474 1.211 1.00 25.00 C HETATM 7 C6 MYR A 1 1.712 -4.208 2.231 1.00 25.00 C HETATM 8 C7 MYR A 1 0.973 -5.271 3.086 1.00 25.00 C HETATM 9 C8 MYR A 1 0.188 -4.661 4.290 1.00 25.00 C HETATM 10 C9 MYR A 1 -0.499 -5.781 5.115 1.00 25.00 C HETATM 11 C10 MYR A 1 -1.244 -5.231 6.360 1.00 25.00 C HETATM 12 C11 MYR A 1 -1.845 -6.393 7.211 1.00 25.00 C HETATM 13 C12 MYR A 1 -2.851 -5.911 8.297 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.259 -5.600 7.718 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.259 -5.225 8.826 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.352 -6.054 9.528 1.00 25.00 H new HETATM 0 H142 MYR A 1 -4.902 -4.341 9.354 1.00 25.00 H new HETATM 0 H141 MYR A 1 -6.232 -5.015 8.382 1.00 25.00 H new HETATM 0 H132 MYR A 1 -4.185 -4.782 7.002 1.00 25.00 H new HETATM 0 H131 MYR A 1 -4.628 -6.469 7.173 1.00 25.00 H new HETATM 0 H122 MYR A 1 -2.941 -6.677 9.068 1.00 25.00 H new HETATM 0 H121 MYR A 1 -2.456 -5.017 8.780 1.00 25.00 H new HETATM 0 H112 MYR A 1 -2.348 -7.096 6.547 1.00 25.00 H new HETATM 0 H111 MYR A 1 -1.033 -6.936 7.695 1.00 25.00 H new HETATM 0 H102 MYR A 1 -0.556 -4.646 6.971 1.00 25.00 H new HETATM 0 H101 MYR A 1 -2.041 -4.558 6.043 1.00 25.00 H new HETATM 0 H92 MYR A 1 -1.206 -6.315 4.479 1.00 25.00 H new HETATM 0 H91 MYR A 1 0.251 -6.504 5.435 1.00 25.00 H new HETATM 0 H82 MYR A 1 0.869 -4.097 4.928 1.00 25.00 H new HETATM 0 H81 MYR A 1 -0.561 -3.959 3.925 1.00 25.00 H new HETATM 0 H72 MYR A 1 0.279 -5.820 2.450 1.00 25.00 H new HETATM 0 H71 MYR A 1 1.698 -5.992 3.463 1.00 25.00 H new HETATM 0 H62 MYR A 1 2.525 -4.690 1.688 1.00 25.00 H new HETATM 0 H61 MYR A 1 2.165 -3.471 2.894 1.00 25.00 H new HETATM 0 H52 MYR A 1 -0.256 -3.550 1.538 1.00 25.00 H new HETATM 0 H51 MYR A 1 0.845 -3.961 0.238 1.00 25.00 H new HETATM 0 H42 MYR A 1 2.251 -1.916 0.889 1.00 25.00 H new HETATM 0 H41 MYR A 1 0.990 -1.477 2.023 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.661 -1.333 0.118 1.00 25.00 H new HETATM 0 H31 MYR A 1 0.615 -1.746 -1.010 1.00 25.00 H new HETATM 0 H22 MYR A 1 0.515 0.651 -1.109 1.00 25.00 H new HETATM 0 H21 MYR A 1 1.906 0.331 -0.092 1.00 25.00 H new ATOM 43 N GLY A 2 0.945 1.221 2.084 1.00 25.00 N ATOM 44 CA GLY A 2 0.494 1.914 3.287 1.00 25.00 C ATOM 45 C GLY A 2 0.073 3.336 2.991 1.00 25.00 C ATOM 46 O GLY A 2 -0.883 3.854 3.566 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.343 1.371 3.727 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.295 1.918 4.026 1.00 25.00 H new ATOM 50 N GLN A 3 0.761 3.964 2.053 1.00 25.00 N ATOM 51 CA GLN A 3 0.429 5.331 1.668 1.00 25.00 C ATOM 52 C GLN A 3 -0.929 5.416 0.960 1.00 25.00 C ATOM 53 O GLN A 3 -1.619 6.416 1.093 1.00 25.00 O ATOM 54 CB GLN A 3 1.539 5.925 0.803 1.00 25.00 C ATOM 55 CG GLN A 3 2.855 6.065 1.568 1.00 25.00 C ATOM 56 CD GLN A 3 3.917 6.784 0.772 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.829 7.976 0.542 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.934 6.070 0.370 1.00 25.00 N ATOM 0 H GLN A 3 1.547 3.556 1.546 1.00 25.00 H new ATOM 0 HA GLN A 3 0.347 5.920 2.581 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.694 5.292 -0.071 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.228 6.903 0.437 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.675 6.605 2.497 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.219 5.075 1.841 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.973 5.073 0.582 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.690 6.509 -0.156 1.00 25.00 H new ATOM 67 N GLU A 4 -1.358 4.361 0.278 1.00 25.00 N ATOM 68 CA GLU A 4 -2.710 4.339 -0.271 1.00 25.00 C ATOM 69 C GLU A 4 -3.696 4.128 0.863 1.00 25.00 C ATOM 70 O GLU A 4 -4.716 4.788 0.938 1.00 25.00 O ATOM 71 CB GLU A 4 -2.906 3.194 -1.268 1.00 25.00 C ATOM 72 CG GLU A 4 -4.352 3.126 -1.725 1.00 25.00 C ATOM 73 CD GLU A 4 -4.689 1.930 -2.578 1.00 25.00 C ATOM 74 OE1 GLU A 4 -3.779 1.258 -3.103 1.00 25.00 O ATOM 75 OE2 GLU A 4 -5.907 1.623 -2.654 1.00 25.00 O ATOM 0 H GLU A 4 -0.803 3.525 0.094 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.872 5.287 -0.784 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.253 3.338 -2.129 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.620 2.249 -0.806 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -4.996 3.121 -0.846 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.584 4.032 -2.285 1.00 25.00 H new ATOM 82 N LEU A 5 -3.396 3.171 1.724 1.00 25.00 N ATOM 83 CA LEU A 5 -4.309 2.774 2.802 1.00 25.00 C ATOM 84 C LEU A 5 -4.753 3.952 3.675 1.00 25.00 C ATOM 85 O LEU A 5 -5.903 4.005 4.091 1.00 25.00 O ATOM 86 CB LEU A 5 -3.664 1.693 3.681 1.00 25.00 C ATOM 87 CG LEU A 5 -3.348 0.326 3.044 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.650 -0.581 4.059 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.596 -0.359 2.534 1.00 25.00 C ATOM 0 H LEU A 5 -2.522 2.646 1.703 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.201 2.376 2.319 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.733 2.098 4.077 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.323 1.519 4.531 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.689 0.508 2.195 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.432 -1.544 3.597 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.720 -0.115 4.384 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.301 -0.731 4.921 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.329 -1.319 2.093 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.287 -0.519 3.362 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.072 0.267 1.780 1.00 25.00 H new ATOM 101 N SER A 6 -3.873 4.916 3.905 1.00 25.00 N ATOM 102 CA SER A 6 -4.225 6.124 4.665 1.00 25.00 C ATOM 103 C SER A 6 -5.141 7.098 3.904 1.00 25.00 C ATOM 104 O SER A 6 -5.758 7.965 4.515 1.00 25.00 O ATOM 105 CB SER A 6 -2.948 6.860 5.065 1.00 25.00 C ATOM 106 OG SER A 6 -2.226 7.258 3.916 1.00 25.00 O ATOM 0 H SER A 6 -2.907 4.892 3.579 1.00 25.00 H new ATOM 0 HA SER A 6 -4.783 5.783 5.537 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.198 7.734 5.666 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.328 6.214 5.686 1.00 25.00 H new ATOM 0 HG SER A 6 -1.411 7.730 4.189 1.00 25.00 H new ATOM 112 N GLN A 7 -5.221 6.958 2.588 1.00 25.00 N ATOM 113 CA GLN A 7 -6.089 7.796 1.742 1.00 25.00 C ATOM 114 C GLN A 7 -7.369 7.041 1.365 1.00 25.00 C ATOM 115 O GLN A 7 -8.346 7.624 0.900 1.00 25.00 O ATOM 116 CB GLN A 7 -5.357 8.151 0.444 1.00 25.00 C ATOM 117 CG GLN A 7 -4.059 8.918 0.639 1.00 25.00 C ATOM 118 CD GLN A 7 -3.351 9.150 -0.677 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.709 10.029 -1.441 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.357 8.350 -0.951 1.00 25.00 N ATOM 0 H GLN A 7 -4.689 6.261 2.067 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.340 8.695 2.305 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -5.142 7.231 -0.100 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -6.023 8.744 -0.183 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -4.269 9.876 1.115 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -3.405 8.364 1.313 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -2.087 7.626 -0.285 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.850 8.449 -1.831 1.00 25.00 H new ATOM 129 N HIS A 8 -7.323 5.726 1.516 1.00 25.00 N ATOM 130 CA HIS A 8 -8.418 4.831 1.134 1.00 25.00 C ATOM 131 C HIS A 8 -9.504 4.944 2.193 1.00 25.00 C ATOM 132 O HIS A 8 -9.545 4.145 3.104 1.00 25.00 O ATOM 133 CB HIS A 8 -7.869 3.389 1.055 1.00 25.00 C ATOM 134 CG HIS A 8 -8.686 2.453 0.215 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.285 2.000 -1.051 1.00 25.00 N ATOM 136 CD2 HIS A 8 -9.872 1.825 0.443 1.00 25.00 C ATOM 137 CE1 HIS A 8 -9.206 1.168 -1.518 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.165 1.047 -0.637 1.00 25.00 N ATOM 0 H HIS A 8 -6.518 5.240 1.911 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.835 5.097 0.163 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -6.855 3.422 0.657 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.802 2.984 2.065 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -7.426 2.267 -1.533 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.479 1.926 1.331 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -9.170 0.669 -2.475 1.00 25.00 H new ATOM 146 N GLU A 9 -10.347 5.961 2.110 1.00 25.00 N ATOM 147 CA GLU A 9 -11.297 6.271 3.189 1.00 25.00 C ATOM 148 C GLU A 9 -12.125 5.094 3.710 1.00 25.00 C ATOM 149 O GLU A 9 -12.388 5.025 4.889 1.00 25.00 O ATOM 150 CB GLU A 9 -12.226 7.414 2.779 1.00 25.00 C ATOM 151 CG GLU A 9 -11.786 8.772 3.337 1.00 25.00 C ATOM 152 CD GLU A 9 -11.903 8.851 4.864 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.037 8.890 5.385 1.00 25.00 O ATOM 154 OE2 GLU A 9 -10.858 8.863 5.553 1.00 25.00 O ATOM 0 H GLU A 9 -10.400 6.591 1.310 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.662 6.564 4.025 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.266 7.470 1.691 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -13.236 7.195 3.124 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.753 8.962 3.046 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -12.394 9.558 2.889 1.00 25.00 H new ATOM 161 N ARG A 10 -12.466 4.127 2.869 1.00 25.00 N ATOM 162 CA ARG A 10 -13.229 2.952 3.343 1.00 25.00 C ATOM 163 C ARG A 10 -12.415 2.098 4.318 1.00 25.00 C ATOM 164 O ARG A 10 -12.950 1.487 5.238 1.00 25.00 O ATOM 165 CB ARG A 10 -13.685 2.097 2.157 1.00 25.00 C ATOM 166 CG ARG A 10 -15.189 2.169 1.909 1.00 25.00 C ATOM 167 CD ARG A 10 -15.622 3.537 1.377 1.00 25.00 C ATOM 168 NE ARG A 10 -16.874 3.966 2.016 1.00 25.00 N ATOM 169 CZ ARG A 10 -18.091 3.856 1.502 1.00 25.00 C ATOM 170 NH1 ARG A 10 -18.311 3.352 0.309 1.00 25.00 N ATOM 171 NH2 ARG A 10 -19.107 4.261 2.206 1.00 25.00 N ATOM 0 H ARG A 10 -12.239 4.119 1.875 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.103 3.327 3.876 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.159 2.422 1.259 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -13.402 1.060 2.335 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.475 1.396 1.196 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.719 1.958 2.838 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -14.840 4.272 1.567 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.757 3.487 0.297 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.800 4.388 2.942 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -17.529 3.027 -0.260 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -19.264 3.286 -0.049 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -18.959 4.654 3.135 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -20.052 4.185 1.829 1.00 25.00 H new ATOM 185 N TYR A 11 -11.109 2.098 4.125 1.00 25.00 N ATOM 186 CA TYR A 11 -10.183 1.391 4.995 1.00 25.00 C ATOM 187 C TYR A 11 -9.997 2.231 6.248 1.00 25.00 C ATOM 188 O TYR A 11 -10.038 1.736 7.378 1.00 25.00 O ATOM 189 CB TYR A 11 -8.849 1.235 4.261 1.00 25.00 C ATOM 190 CG TYR A 11 -7.895 0.278 4.904 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.073 -1.103 4.753 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.789 0.739 5.646 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.170 -2.014 5.316 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.869 -0.181 6.218 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.068 -1.551 6.040 1.00 25.00 C ATOM 196 OH TYR A 11 -5.181 -2.448 6.569 1.00 25.00 O ATOM 0 H TYR A 11 -10.656 2.591 3.356 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.559 0.404 5.262 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.046 0.902 3.242 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.371 2.212 4.190 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -8.920 -1.471 4.193 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.639 1.800 5.781 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.326 -3.075 5.190 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.023 0.177 6.786 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.232 -3.291 6.071 1.00 25.00 H new ATOM 206 N VAL A 12 -9.828 3.527 6.027 1.00 25.00 N ATOM 207 CA VAL A 12 -9.649 4.499 7.103 1.00 25.00 C ATOM 208 C VAL A 12 -10.871 4.530 8.037 1.00 25.00 C ATOM 209 O VAL A 12 -10.711 4.723 9.226 1.00 25.00 O ATOM 210 CB VAL A 12 -9.356 5.918 6.516 1.00 25.00 C ATOM 211 CG1 VAL A 12 -9.108 6.945 7.611 1.00 25.00 C ATOM 212 CG2 VAL A 12 -8.120 5.883 5.617 1.00 25.00 C ATOM 0 H VAL A 12 -9.811 3.938 5.094 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.790 4.190 7.698 1.00 25.00 H new ATOM 0 HB VAL A 12 -10.239 6.206 5.945 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.908 7.917 7.160 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.988 7.015 8.250 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -8.249 6.639 8.209 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.932 6.880 5.218 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -7.257 5.556 6.197 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.288 5.188 4.794 1.00 25.00 H new ATOM 222 N GLU A 13 -12.072 4.283 7.529 1.00 25.00 N ATOM 223 CA GLU A 13 -13.287 4.244 8.365 1.00 25.00 C ATOM 224 C GLU A 13 -13.127 3.269 9.539 1.00 25.00 C ATOM 225 O GLU A 13 -13.396 3.621 10.694 1.00 25.00 O ATOM 226 CB GLU A 13 -14.507 3.847 7.518 1.00 25.00 C ATOM 227 CG GLU A 13 -15.144 5.017 6.756 1.00 25.00 C ATOM 228 CD GLU A 13 -16.164 4.559 5.708 1.00 25.00 C ATOM 229 OE1 GLU A 13 -17.137 3.871 6.072 1.00 25.00 O ATOM 230 OE2 GLU A 13 -15.997 4.897 4.512 1.00 25.00 O ATOM 0 H GLU A 13 -12.241 4.105 6.539 1.00 25.00 H new ATOM 0 HA GLU A 13 -13.442 5.244 8.771 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -14.206 3.081 6.803 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -15.258 3.398 8.168 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -15.634 5.683 7.466 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -14.360 5.595 6.265 1.00 25.00 H new ATOM 237 N GLN A 14 -12.621 2.078 9.259 1.00 25.00 N ATOM 238 CA GLN A 14 -12.371 1.093 10.311 1.00 25.00 C ATOM 239 C GLN A 14 -11.094 1.431 11.073 1.00 25.00 C ATOM 240 O GLN A 14 -11.024 1.303 12.292 1.00 25.00 O ATOM 241 CB GLN A 14 -12.238 -0.305 9.701 1.00 25.00 C ATOM 242 CG GLN A 14 -13.521 -0.811 9.051 1.00 25.00 C ATOM 243 CD GLN A 14 -14.659 -0.946 10.046 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.541 -0.110 10.115 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.645 -2.005 10.811 1.00 25.00 N ATOM 0 H GLN A 14 -12.375 1.767 8.319 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.214 1.113 11.002 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.443 -0.293 8.955 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.934 -1.005 10.480 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.817 -0.127 8.256 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.332 -1.778 8.585 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.890 -2.686 10.726 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -15.389 -2.151 11.493 1.00 25.00 H new ATOM 254 N LEU A 15 -10.073 1.877 10.357 1.00 25.00 N ATOM 255 CA LEU A 15 -8.782 2.176 10.978 1.00 25.00 C ATOM 256 C LEU A 15 -8.847 3.364 11.943 1.00 25.00 C ATOM 257 O LEU A 15 -8.058 3.439 12.876 1.00 25.00 O ATOM 258 CB LEU A 15 -7.724 2.427 9.897 1.00 25.00 C ATOM 259 CG LEU A 15 -6.810 1.262 9.475 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.705 1.061 10.503 1.00 25.00 C ATOM 261 CD2 LEU A 15 -7.563 -0.053 9.262 1.00 25.00 C ATOM 0 H LEU A 15 -10.108 2.041 9.351 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.504 1.304 11.570 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -8.240 2.783 9.005 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.086 3.241 10.241 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.382 1.541 8.512 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -5.066 0.234 10.193 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.110 1.971 10.580 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -6.147 0.834 11.473 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -6.860 -0.831 8.966 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -8.057 -0.344 10.189 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -8.309 0.078 8.479 1.00 25.00 H new ATOM 273 N LYS A 16 -9.805 4.265 11.756 1.00 25.00 N ATOM 274 CA LYS A 16 -9.981 5.410 12.664 1.00 25.00 C ATOM 275 C LYS A 16 -10.371 4.888 14.030 1.00 25.00 C ATOM 276 O LYS A 16 -9.925 5.396 15.058 1.00 25.00 O ATOM 277 CB LYS A 16 -11.061 6.375 12.132 1.00 25.00 C ATOM 278 CG LYS A 16 -10.507 7.430 11.156 1.00 25.00 C ATOM 279 CD LYS A 16 -11.591 8.374 10.566 1.00 25.00 C ATOM 280 CE LYS A 16 -12.419 7.722 9.436 1.00 25.00 C ATOM 281 NZ LYS A 16 -12.374 8.506 8.130 1.00 25.00 N ATOM 0 H LYS A 16 -10.475 4.231 10.987 1.00 25.00 H new ATOM 0 HA LYS A 16 -9.045 5.965 12.730 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.838 5.799 11.630 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.533 6.881 12.974 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.758 8.031 11.673 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.998 6.921 10.337 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.263 8.688 11.365 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -11.110 9.273 10.182 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -12.049 6.712 9.259 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -13.455 7.629 9.761 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.014 8.066 7.439 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -12.673 9.487 8.303 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -11.404 8.501 7.755 1.00 25.00 H new ATOM 295 N GLN A 17 -11.172 3.840 14.037 1.00 25.00 N ATOM 296 CA GLN A 17 -11.596 3.214 15.278 1.00 25.00 C ATOM 297 C GLN A 17 -10.481 2.311 15.803 1.00 25.00 C ATOM 298 O GLN A 17 -10.235 2.248 17.004 1.00 25.00 O ATOM 299 CB GLN A 17 -12.866 2.400 15.027 1.00 25.00 C ATOM 300 CG GLN A 17 -14.003 3.226 14.419 1.00 25.00 C ATOM 301 CD GLN A 17 -15.237 2.400 14.148 1.00 25.00 C ATOM 302 OE1 GLN A 17 -15.875 1.905 15.064 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.581 2.257 12.895 1.00 25.00 N ATOM 0 H GLN A 17 -11.544 3.402 13.195 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.807 3.980 16.024 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.632 1.570 14.360 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -13.204 1.967 15.968 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.257 4.042 15.096 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.661 3.679 13.488 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.020 2.687 12.160 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.410 1.715 12.653 1.00 25.00 H new ATOM 312 N ALA A 18 -9.795 1.626 14.896 1.00 25.00 N ATOM 313 CA ALA A 18 -8.729 0.702 15.272 1.00 25.00 C ATOM 314 C ALA A 18 -7.524 1.401 15.928 1.00 25.00 C ATOM 315 O ALA A 18 -7.036 0.932 16.949 1.00 25.00 O ATOM 316 CB ALA A 18 -8.283 -0.106 14.053 1.00 25.00 C ATOM 0 H ALA A 18 -9.958 1.693 13.891 1.00 25.00 H new ATOM 0 HA ALA A 18 -9.142 0.032 16.026 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.488 -0.793 14.343 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.128 -0.673 13.664 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.915 0.571 13.282 1.00 25.00 H new ATOM 322 N LEU A 19 -7.058 2.516 15.372 1.00 25.00 N ATOM 323 CA LEU A 19 -5.926 3.244 15.972 1.00 25.00 C ATOM 324 C LEU A 19 -6.327 3.687 17.379 1.00 25.00 C ATOM 325 O LEU A 19 -5.550 3.580 18.328 1.00 25.00 O ATOM 326 CB LEU A 19 -5.532 4.490 15.145 1.00 25.00 C ATOM 327 CG LEU A 19 -4.313 4.390 14.199 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.638 3.664 12.903 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.790 5.790 13.846 1.00 25.00 C ATOM 0 H LEU A 19 -7.434 2.936 14.522 1.00 25.00 H new ATOM 0 HA LEU A 19 -5.065 2.576 15.996 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.395 4.776 14.545 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.344 5.306 15.843 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.556 3.819 14.737 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.747 3.622 12.276 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.972 2.651 13.127 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.428 4.198 12.375 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.932 5.701 13.180 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.577 6.358 13.350 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.489 6.306 14.757 1.00 25.00 H new ATOM 341 N LYS A 20 -7.564 4.155 17.510 1.00 25.00 N ATOM 342 CA LYS A 20 -8.074 4.630 18.796 1.00 25.00 C ATOM 343 C LYS A 20 -8.165 3.517 19.834 1.00 25.00 C ATOM 344 O LYS A 20 -7.713 3.691 20.956 1.00 25.00 O ATOM 345 CB LYS A 20 -9.460 5.265 18.610 1.00 25.00 C ATOM 346 CG LYS A 20 -10.027 5.888 19.884 1.00 25.00 C ATOM 347 CD LYS A 20 -11.459 6.362 19.678 1.00 25.00 C ATOM 348 CE LYS A 20 -12.019 6.954 20.970 1.00 25.00 C ATOM 349 NZ LYS A 20 -13.467 7.342 20.824 1.00 25.00 N ATOM 0 H LYS A 20 -8.233 4.216 16.743 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.365 5.371 19.165 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.398 6.032 17.838 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -10.153 4.505 18.249 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -9.996 5.158 20.693 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -9.404 6.729 20.189 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.490 7.110 18.885 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -12.081 5.528 19.354 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -11.916 6.229 21.777 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -11.434 7.830 21.252 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -13.812 7.740 21.721 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -13.562 8.053 20.071 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -14.029 6.502 20.579 1.00 25.00 H new ATOM 363 N THR A 21 -8.761 2.387 19.482 1.00 25.00 N ATOM 364 CA THR A 21 -8.969 1.311 20.458 1.00 25.00 C ATOM 365 C THR A 21 -7.667 0.591 20.796 1.00 25.00 C ATOM 366 O THR A 21 -7.555 -0.036 21.842 1.00 25.00 O ATOM 367 CB THR A 21 -10.048 0.292 19.984 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.497 -0.476 21.101 1.00 25.00 O ATOM 369 CG2 THR A 21 -9.522 -0.668 18.927 1.00 25.00 C ATOM 0 H THR A 21 -9.107 2.186 18.544 1.00 25.00 H new ATOM 0 HA THR A 21 -9.337 1.788 21.366 1.00 25.00 H new ATOM 0 HB THR A 21 -10.861 0.870 19.544 1.00 25.00 H new ATOM 0 HG1 THR A 21 -11.177 -1.117 20.805 1.00 25.00 H new ATOM 0 HG21 THR A 21 -10.315 -1.356 18.633 1.00 25.00 H new ATOM 0 HG22 THR A 21 -9.190 -0.103 18.056 1.00 25.00 H new ATOM 0 HG23 THR A 21 -8.684 -1.234 19.334 1.00 25.00 H new ATOM 377 N ARG A 22 -6.664 0.720 19.935 1.00 25.00 N ATOM 378 CA ARG A 22 -5.345 0.153 20.211 1.00 25.00 C ATOM 379 C ARG A 22 -4.636 1.006 21.261 1.00 25.00 C ATOM 380 O ARG A 22 -3.740 0.539 21.948 1.00 25.00 O ATOM 381 CB ARG A 22 -4.525 0.109 18.916 1.00 25.00 C ATOM 382 CG ARG A 22 -3.243 -0.723 18.981 1.00 25.00 C ATOM 383 CD ARG A 22 -3.558 -2.207 18.950 1.00 25.00 C ATOM 384 NE ARG A 22 -3.373 -2.856 20.262 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.336 -3.614 20.605 1.00 25.00 C ATOM 386 NH1 ARG A 22 -1.337 -3.831 19.797 1.00 25.00 N ATOM 387 NH2 ARG A 22 -2.310 -4.173 21.779 1.00 25.00 N ATOM 0 H ARG A 22 -6.736 1.210 19.043 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.452 -0.862 20.594 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -5.155 -0.287 18.120 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -4.262 1.129 18.637 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.596 -0.467 18.142 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.695 -0.483 19.892 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -4.587 -2.349 18.621 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.918 -2.695 18.215 1.00 25.00 H new ATOM 0 HE ARG A 22 -4.100 -2.711 20.963 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -1.334 -3.413 18.866 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -0.558 -4.418 20.095 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -3.082 -4.029 22.430 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -1.518 -4.756 22.049 1.00 25.00 H new ATOM 401 N GLY A 23 -5.033 2.269 21.350 1.00 25.00 N ATOM 402 CA GLY A 23 -4.427 3.193 22.297 1.00 25.00 C ATOM 403 C GLY A 23 -3.085 3.697 21.807 1.00 25.00 C ATOM 404 O GLY A 23 -2.322 4.308 22.554 1.00 25.00 O ATOM 0 H GLY A 23 -5.772 2.676 20.777 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.096 4.038 22.460 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.300 2.697 23.259 1.00 25.00 H new ATOM 408 N VAL A 24 -2.778 3.421 20.549 1.00 25.00 N ATOM 409 CA VAL A 24 -1.484 3.781 19.988 1.00 25.00 C ATOM 410 C VAL A 24 -1.529 5.242 19.523 1.00 25.00 C ATOM 411 O VAL A 24 -2.315 5.632 18.656 1.00 25.00 O ATOM 412 CB VAL A 24 -1.039 2.751 18.882 1.00 25.00 C ATOM 413 CG1 VAL A 24 -1.995 2.728 17.669 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.397 3.015 18.439 1.00 25.00 C ATOM 0 H VAL A 24 -3.406 2.950 19.898 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.705 3.718 20.748 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.087 1.762 19.337 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -1.639 2.001 16.939 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -2.996 2.450 18.000 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -2.025 3.717 17.211 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.681 2.291 17.675 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.472 4.023 18.030 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.065 2.920 19.295 1.00 25.00 H new ATOM 424 N LYS A 25 -0.736 6.077 20.181 1.00 25.00 N ATOM 425 CA LYS A 25 -0.737 7.517 19.908 1.00 25.00 C ATOM 426 C LYS A 25 0.211 7.826 18.759 1.00 25.00 C ATOM 427 O LYS A 25 1.359 8.192 18.974 1.00 25.00 O ATOM 428 CB LYS A 25 -0.303 8.282 21.165 1.00 25.00 C ATOM 429 CG LYS A 25 -1.269 8.114 22.348 1.00 25.00 C ATOM 430 CD LYS A 25 -0.728 8.745 23.637 1.00 25.00 C ATOM 431 CE LYS A 25 -0.717 10.277 23.581 1.00 25.00 C ATOM 432 NZ LYS A 25 -0.192 10.855 24.870 1.00 25.00 N ATOM 0 H LYS A 25 -0.082 5.787 20.908 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.744 7.829 19.630 1.00 25.00 H new ATOM 0 HB2 LYS A 25 0.688 7.941 21.464 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -0.217 9.342 20.924 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -2.228 8.569 22.098 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.453 7.053 22.515 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -1.337 8.420 24.480 1.00 25.00 H new ATOM 0 HD3 LYS A 25 0.285 8.384 23.817 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -0.098 10.611 22.748 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -1.726 10.646 23.396 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -0.193 11.893 24.811 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -0.799 10.553 25.659 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 0.779 10.518 25.031 1.00 25.00 H new ATOM 446 N VAL A 26 -0.290 7.684 17.544 1.00 25.00 N ATOM 447 CA VAL A 26 0.496 7.908 16.327 1.00 25.00 C ATOM 448 C VAL A 26 -0.327 8.694 15.325 1.00 25.00 C ATOM 449 O VAL A 26 -1.559 8.706 15.381 1.00 25.00 O ATOM 450 CB VAL A 26 0.920 6.551 15.669 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.066 5.919 16.453 1.00 25.00 C ATOM 452 CG2 VAL A 26 -0.267 5.585 15.602 1.00 25.00 C ATOM 0 H VAL A 26 -1.256 7.409 17.365 1.00 25.00 H new ATOM 0 HA VAL A 26 1.392 8.463 16.605 1.00 25.00 H new ATOM 0 HB VAL A 26 1.256 6.755 14.652 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.351 4.977 15.985 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.921 6.595 16.457 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.746 5.733 17.478 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.051 4.650 15.142 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.633 5.388 16.610 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -1.065 6.030 15.007 1.00 25.00 H new ATOM 462 N LYS A 27 0.349 9.341 14.389 1.00 25.00 N ATOM 463 CA LYS A 27 -0.336 10.042 13.305 1.00 25.00 C ATOM 464 C LYS A 27 -0.751 8.944 12.341 1.00 25.00 C ATOM 465 O LYS A 27 -0.049 7.960 12.204 1.00 25.00 O ATOM 466 CB LYS A 27 0.618 11.047 12.640 1.00 25.00 C ATOM 467 CG LYS A 27 -0.053 12.037 11.678 1.00 25.00 C ATOM 468 CD LYS A 27 0.978 13.037 11.138 1.00 25.00 C ATOM 469 CE LYS A 27 0.327 14.204 10.375 1.00 25.00 C ATOM 470 NZ LYS A 27 -0.315 13.796 9.073 1.00 25.00 N ATOM 0 H LYS A 27 1.367 9.398 14.354 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.195 10.619 13.648 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.129 11.611 13.420 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.382 10.494 12.094 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.513 11.496 10.851 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.852 12.570 12.193 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.564 13.432 11.967 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.671 12.517 10.477 1.00 25.00 H new ATOM 0 HE2 LYS A 27 -0.427 14.667 11.012 1.00 25.00 H new ATOM 0 HE3 LYS A 27 1.084 14.962 10.174 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 -0.732 14.631 8.615 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 0.404 13.380 8.447 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 -1.060 13.094 9.258 1.00 25.00 H new ATOM 484 N PHE A 28 -1.859 9.111 11.641 1.00 25.00 N ATOM 485 CA PHE A 28 -2.294 8.099 10.677 1.00 25.00 C ATOM 486 C PHE A 28 -1.230 7.833 9.622 1.00 25.00 C ATOM 487 O PHE A 28 -0.935 6.692 9.307 1.00 25.00 O ATOM 488 CB PHE A 28 -3.570 8.574 9.982 1.00 25.00 C ATOM 489 CG PHE A 28 -4.732 7.663 10.179 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.953 6.593 9.297 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.626 7.872 11.243 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.048 5.730 9.477 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.731 7.022 11.426 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.942 5.952 10.540 1.00 25.00 C ATOM 0 H PHE A 28 -2.471 9.924 11.715 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.475 7.174 11.224 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.829 9.565 10.355 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -3.376 8.676 8.914 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.275 6.431 8.472 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.463 8.693 11.926 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.202 4.901 8.802 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.415 7.191 12.245 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.792 5.299 10.675 1.00 25.00 H new ATOM 504 N ALA A 29 -0.627 8.896 9.111 1.00 25.00 N ATOM 505 CA ALA A 29 0.418 8.768 8.103 1.00 25.00 C ATOM 506 C ALA A 29 1.629 8.008 8.656 1.00 25.00 C ATOM 507 O ALA A 29 2.289 7.292 7.930 1.00 25.00 O ATOM 508 CB ALA A 29 0.841 10.160 7.613 1.00 25.00 C ATOM 0 H ALA A 29 -0.842 9.857 9.377 1.00 25.00 H new ATOM 0 HA ALA A 29 0.019 8.197 7.264 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.622 10.059 6.860 1.00 25.00 H new ATOM 0 HB2 ALA A 29 -0.019 10.669 7.178 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.220 10.742 8.453 1.00 25.00 H new ATOM 514 N ASP A 30 1.895 8.174 9.943 1.00 25.00 N ATOM 515 CA ASP A 30 3.022 7.507 10.596 1.00 25.00 C ATOM 516 C ASP A 30 2.717 6.022 10.774 1.00 25.00 C ATOM 517 O ASP A 30 3.527 5.173 10.445 1.00 25.00 O ATOM 518 CB ASP A 30 3.270 8.154 11.963 1.00 25.00 C ATOM 519 CG ASP A 30 4.500 7.614 12.656 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.495 7.306 11.974 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.486 7.574 13.903 1.00 25.00 O ATOM 0 H ASP A 30 1.344 8.768 10.563 1.00 25.00 H new ATOM 0 HA ASP A 30 3.913 7.612 9.976 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.375 9.231 11.836 1.00 25.00 H new ATOM 0 HB3 ASP A 30 2.400 7.991 12.599 1.00 25.00 H new ATOM 526 N LEU A 31 1.517 5.708 11.243 1.00 25.00 N ATOM 527 CA LEU A 31 1.139 4.313 11.458 1.00 25.00 C ATOM 528 C LEU A 31 1.169 3.553 10.140 1.00 25.00 C ATOM 529 O LEU A 31 1.800 2.502 10.010 1.00 25.00 O ATOM 530 CB LEU A 31 -0.254 4.225 12.101 1.00 25.00 C ATOM 531 CG LEU A 31 -0.764 2.850 12.597 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.494 2.110 11.497 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.336 1.944 13.152 1.00 25.00 C ATOM 0 H LEU A 31 0.795 6.388 11.480 1.00 25.00 H new ATOM 0 HA LEU A 31 1.858 3.857 12.139 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.268 4.908 12.951 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.976 4.602 11.377 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.443 3.082 13.418 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.841 1.148 11.874 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.349 2.700 11.167 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.819 1.948 10.657 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -0.100 1.000 13.479 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.076 1.752 12.375 1.00 25.00 H new ATOM 0 HD23 LEU A 31 0.818 2.433 13.999 1.00 25.00 H new ATOM 545 N LEU A 32 0.496 4.103 9.146 1.00 25.00 N ATOM 546 CA LEU A 32 0.457 3.477 7.824 1.00 25.00 C ATOM 547 C LEU A 32 1.805 3.476 7.125 1.00 25.00 C ATOM 548 O LEU A 32 2.027 2.681 6.226 1.00 25.00 O ATOM 549 CB LEU A 32 -0.581 4.133 6.915 1.00 25.00 C ATOM 550 CG LEU A 32 -2.029 3.621 7.031 1.00 25.00 C ATOM 551 CD1 LEU A 32 -2.139 2.106 6.897 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.622 4.054 8.336 1.00 25.00 C ATOM 0 H LEU A 32 -0.029 4.974 9.221 1.00 25.00 H new ATOM 0 HA LEU A 32 0.173 2.441 8.008 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.582 5.204 7.118 1.00 25.00 H new ATOM 0 HB3 LEU A 32 -0.257 4.005 5.882 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.583 4.057 6.200 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.183 1.808 6.988 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.757 1.798 5.924 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.556 1.628 7.684 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.646 3.688 8.410 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -2.031 3.647 9.157 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.621 5.143 8.393 1.00 25.00 H new ATOM 564 N LYS A 33 2.725 4.332 7.529 1.00 25.00 N ATOM 565 CA LYS A 33 4.065 4.286 6.925 1.00 25.00 C ATOM 566 C LYS A 33 4.728 2.938 7.218 1.00 25.00 C ATOM 567 O LYS A 33 5.472 2.409 6.400 1.00 25.00 O ATOM 568 CB LYS A 33 4.966 5.440 7.400 1.00 25.00 C ATOM 569 CG LYS A 33 6.391 5.387 6.817 1.00 25.00 C ATOM 570 CD LYS A 33 6.401 5.483 5.265 1.00 25.00 C ATOM 571 CE LYS A 33 7.718 4.995 4.677 1.00 25.00 C ATOM 572 NZ LYS A 33 7.642 4.932 3.167 1.00 25.00 N ATOM 0 H LYS A 33 2.589 5.046 8.245 1.00 25.00 H new ATOM 0 HA LYS A 33 3.938 4.404 5.849 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.504 6.388 7.124 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.026 5.419 8.488 1.00 25.00 H new ATOM 0 HG2 LYS A 33 6.981 6.204 7.233 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.872 4.458 7.124 1.00 25.00 H new ATOM 0 HD2 LYS A 33 5.580 4.892 4.859 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.229 6.516 4.964 1.00 25.00 H new ATOM 0 HE2 LYS A 33 8.525 5.663 4.977 1.00 25.00 H new ATOM 0 HE3 LYS A 33 7.956 4.009 5.075 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 8.497 4.471 2.795 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 6.803 4.386 2.884 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.573 5.896 2.782 1.00 25.00 H new ATOM 586 N PHE A 34 4.411 2.334 8.345 1.00 25.00 N ATOM 587 CA PHE A 34 4.957 1.018 8.649 1.00 25.00 C ATOM 588 C PHE A 34 4.253 -0.085 7.843 1.00 25.00 C ATOM 589 O PHE A 34 4.865 -1.099 7.514 1.00 25.00 O ATOM 590 CB PHE A 34 4.925 0.791 10.152 1.00 25.00 C ATOM 591 CG PHE A 34 6.035 1.517 10.867 1.00 25.00 C ATOM 592 CD1 PHE A 34 5.940 2.898 11.125 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.207 0.836 11.245 1.00 25.00 C ATOM 594 CE1 PHE A 34 6.987 3.592 11.770 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.266 1.520 11.892 1.00 25.00 C ATOM 596 CZ PHE A 34 8.151 2.902 12.159 1.00 25.00 C ATOM 0 H PHE A 34 3.791 2.720 9.056 1.00 25.00 H new ATOM 0 HA PHE A 34 6.000 0.974 8.337 1.00 25.00 H new ATOM 0 HB2 PHE A 34 3.965 1.123 10.546 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.002 -0.277 10.357 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.052 3.435 10.825 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.300 -0.220 11.040 1.00 25.00 H new ATOM 0 HE1 PHE A 34 6.895 4.650 11.965 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.159 0.986 12.180 1.00 25.00 H new ATOM 0 HZ PHE A 34 8.952 3.427 12.659 1.00 25.00 H new ATOM 606 N PHE A 35 3.024 0.171 7.408 1.00 25.00 N ATOM 607 CA PHE A 35 2.326 -0.723 6.465 1.00 25.00 C ATOM 608 C PHE A 35 2.934 -0.554 5.065 1.00 25.00 C ATOM 609 O PHE A 35 2.739 -1.375 4.185 1.00 25.00 O ATOM 610 CB PHE A 35 0.827 -0.386 6.365 1.00 25.00 C ATOM 611 CG PHE A 35 -0.001 -0.852 7.540 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.276 -0.427 8.857 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.101 -1.704 7.320 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.527 -0.858 9.937 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.917 -2.130 8.395 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.627 -1.706 9.703 1.00 25.00 C ATOM 0 H PHE A 35 2.483 0.989 7.688 1.00 25.00 H new ATOM 0 HA PHE A 35 2.440 -1.743 6.833 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.716 0.694 6.265 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.427 -0.833 5.455 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.110 0.234 9.041 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.325 -2.037 6.317 1.00 25.00 H new ATOM 0 HE1 PHE A 35 -0.297 -0.537 10.942 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.760 -2.779 8.211 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.246 -2.030 10.527 1.00 25.00 H new ATOM 626 N ASP A 36 3.650 0.537 4.858 1.00 25.00 N ATOM 627 CA ASP A 36 4.290 0.814 3.573 1.00 25.00 C ATOM 628 C ASP A 36 5.652 0.113 3.506 1.00 25.00 C ATOM 629 O ASP A 36 6.074 -0.368 2.459 1.00 25.00 O ATOM 630 CB ASP A 36 4.472 2.328 3.435 1.00 25.00 C ATOM 631 CG ASP A 36 4.608 2.776 2.011 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.674 2.537 1.215 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.569 3.530 1.731 1.00 25.00 O ATOM 0 H ASP A 36 3.807 1.254 5.566 1.00 25.00 H new ATOM 0 HA ASP A 36 3.668 0.440 2.759 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.620 2.833 3.889 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.358 2.634 3.992 1.00 25.00 H new ATOM 638 N PHE A 37 6.321 0.049 4.649 1.00 25.00 N ATOM 639 CA PHE A 37 7.664 -0.535 4.758 1.00 25.00 C ATOM 640 C PHE A 37 7.709 -2.035 4.444 1.00 25.00 C ATOM 641 O PHE A 37 8.661 -2.522 3.825 1.00 25.00 O ATOM 642 CB PHE A 37 8.192 -0.288 6.177 1.00 25.00 C ATOM 643 CG PHE A 37 9.602 -0.774 6.398 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.689 -0.125 5.781 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.853 -1.876 7.235 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.020 -0.575 5.996 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.178 -2.333 7.457 1.00 25.00 C ATOM 648 CZ PHE A 37 12.260 -1.680 6.835 1.00 25.00 C ATOM 0 H PHE A 37 5.952 0.400 5.533 1.00 25.00 H new ATOM 0 HA PHE A 37 8.290 -0.049 4.010 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.149 0.780 6.389 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.532 -0.781 6.891 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.509 0.724 5.138 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.027 -2.381 7.715 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.846 -0.070 5.517 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.357 -3.181 8.102 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.270 -2.026 7.001 1.00 25.00 H new ATOM 658 N VAL A 38 6.676 -2.766 4.843 1.00 25.00 N ATOM 659 CA VAL A 38 6.624 -4.213 4.594 1.00 25.00 C ATOM 660 C VAL A 38 6.674 -4.508 3.093 1.00 25.00 C ATOM 661 O VAL A 38 7.292 -5.481 2.679 1.00 25.00 O ATOM 662 CB VAL A 38 5.352 -4.885 5.266 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.191 -3.913 5.363 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.890 -6.155 4.512 1.00 25.00 C ATOM 0 H VAL A 38 5.866 -2.391 5.337 1.00 25.00 H new ATOM 0 HA VAL A 38 7.504 -4.656 5.060 1.00 25.00 H new ATOM 0 HB VAL A 38 5.663 -5.173 6.270 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.339 -4.409 5.828 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.485 -3.054 5.967 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.914 -3.576 4.364 1.00 25.00 H new ATOM 0 HG21 VAL A 38 4.018 -6.577 5.011 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.631 -5.895 3.486 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.696 -6.889 4.508 1.00 25.00 H new ATOM 674 N LYS A 39 6.068 -3.657 2.275 1.00 25.00 N ATOM 675 CA LYS A 39 6.014 -3.898 0.827 1.00 25.00 C ATOM 676 C LYS A 39 7.394 -3.976 0.170 1.00 25.00 C ATOM 677 O LYS A 39 7.607 -4.805 -0.706 1.00 25.00 O ATOM 678 CB LYS A 39 5.177 -2.807 0.143 1.00 25.00 C ATOM 679 CG LYS A 39 4.822 -3.127 -1.314 1.00 25.00 C ATOM 680 CD LYS A 39 3.986 -2.020 -1.955 1.00 25.00 C ATOM 681 CE LYS A 39 3.790 -2.291 -3.450 1.00 25.00 C ATOM 682 NZ LYS A 39 2.977 -1.218 -4.129 1.00 25.00 N ATOM 0 H LYS A 39 5.609 -2.799 2.580 1.00 25.00 H new ATOM 0 HA LYS A 39 5.547 -4.874 0.695 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.257 -2.659 0.708 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.726 -1.866 0.176 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.738 -3.268 -1.888 1.00 25.00 H new ATOM 0 HG3 LYS A 39 4.272 -4.067 -1.355 1.00 25.00 H new ATOM 0 HD2 LYS A 39 3.016 -1.956 -1.461 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.478 -1.058 -1.816 1.00 25.00 H new ATOM 0 HE2 LYS A 39 4.764 -2.365 -3.933 1.00 25.00 H new ATOM 0 HE3 LYS A 39 3.296 -3.254 -3.580 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 3.318 -1.088 -5.103 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 1.976 -1.500 -4.147 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 3.075 -0.325 -3.606 1.00 25.00 H new ATOM 696 N ASP A 40 8.326 -3.125 0.581 1.00 25.00 N ATOM 697 CA ASP A 40 9.664 -3.118 -0.033 1.00 25.00 C ATOM 698 C ASP A 40 10.461 -4.361 0.353 1.00 25.00 C ATOM 699 O ASP A 40 11.139 -4.962 -0.475 1.00 25.00 O ATOM 700 CB ASP A 40 10.451 -1.874 0.389 1.00 25.00 C ATOM 701 CG ASP A 40 11.763 -1.722 -0.386 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.727 -1.713 -1.639 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.824 -1.572 0.258 1.00 25.00 O ATOM 0 H ASP A 40 8.192 -2.439 1.324 1.00 25.00 H new ATOM 0 HA ASP A 40 9.519 -3.110 -1.113 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.836 -0.988 0.233 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.667 -1.929 1.456 1.00 25.00 H new ATOM 708 N THR A 41 10.360 -4.760 1.613 1.00 25.00 N ATOM 709 CA THR A 41 11.092 -5.935 2.096 1.00 25.00 C ATOM 710 C THR A 41 10.441 -7.215 1.567 1.00 25.00 C ATOM 711 O THR A 41 11.106 -8.219 1.309 1.00 25.00 O ATOM 712 CB THR A 41 11.115 -5.990 3.648 1.00 25.00 C ATOM 713 OG1 THR A 41 11.503 -4.714 4.168 1.00 25.00 O ATOM 714 CG2 THR A 41 12.123 -7.021 4.149 1.00 25.00 C ATOM 0 H THR A 41 9.786 -4.297 2.317 1.00 25.00 H new ATOM 0 HA THR A 41 12.116 -5.856 1.731 1.00 25.00 H new ATOM 0 HB THR A 41 10.115 -6.264 3.984 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.329 -4.687 5.132 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.116 -7.037 5.239 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.854 -8.007 3.770 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.120 -6.757 3.796 1.00 25.00 H new ATOM 722 N CYS A 42 9.126 -7.171 1.416 1.00 25.00 N ATOM 723 CA CYS A 42 8.349 -8.319 0.966 1.00 25.00 C ATOM 724 C CYS A 42 7.552 -8.021 -0.306 1.00 25.00 C ATOM 725 O CYS A 42 6.325 -7.889 -0.252 1.00 25.00 O ATOM 726 CB CYS A 42 7.377 -8.738 2.070 1.00 25.00 C ATOM 727 SG CYS A 42 8.168 -9.040 3.650 1.00 25.00 S ATOM 0 H CYS A 42 8.566 -6.339 1.602 1.00 25.00 H new ATOM 0 HA CYS A 42 9.053 -9.120 0.741 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.624 -7.960 2.194 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.853 -9.641 1.757 1.00 25.00 H new ATOM 0 HG CYS A 42 9.151 -9.875 3.490 1.00 25.00 H new ATOM 733 N PRO A 43 8.215 -7.985 -1.476 1.00 25.00 N ATOM 734 CA PRO A 43 7.446 -7.740 -2.705 1.00 25.00 C ATOM 735 C PRO A 43 6.560 -8.931 -3.077 1.00 25.00 C ATOM 736 O PRO A 43 5.677 -8.830 -3.922 1.00 25.00 O ATOM 737 CB PRO A 43 8.541 -7.504 -3.748 1.00 25.00 C ATOM 738 CG PRO A 43 9.676 -8.329 -3.270 1.00 25.00 C ATOM 739 CD PRO A 43 9.650 -8.176 -1.769 1.00 25.00 C ATOM 0 HA PRO A 43 6.750 -6.906 -2.611 1.00 25.00 H new ATOM 0 HB2 PRO A 43 8.217 -7.809 -4.743 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.812 -6.450 -3.810 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.560 -9.372 -3.565 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.621 -7.983 -3.688 1.00 25.00 H new ATOM 0 HD2 PRO A 43 10.050 -9.057 -1.267 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.245 -7.324 -1.440 1.00 25.00 H new ATOM 747 N TRP A 44 6.783 -10.050 -2.403 1.00 25.00 N ATOM 748 CA TRP A 44 5.978 -11.251 -2.577 1.00 25.00 C ATOM 749 C TRP A 44 4.758 -11.271 -1.657 1.00 25.00 C ATOM 750 O TRP A 44 3.861 -12.071 -1.849 1.00 25.00 O ATOM 751 CB TRP A 44 6.849 -12.477 -2.334 1.00 25.00 C ATOM 752 CG TRP A 44 7.907 -12.203 -1.332 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.739 -12.041 -0.012 1.00 25.00 C ATOM 754 CD2 TRP A 44 9.318 -12.023 -1.569 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.921 -11.787 0.625 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.922 -11.755 -0.307 1.00 25.00 C ATOM 757 CE3 TRP A 44 10.131 -12.053 -2.721 1.00 25.00 C ATOM 758 CZ2 TRP A 44 11.302 -11.505 -0.169 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.523 -11.802 -2.587 1.00 25.00 C ATOM 760 CH2 TRP A 44 12.090 -11.525 -1.307 1.00 25.00 C ATOM 0 H TRP A 44 7.531 -10.151 -1.717 1.00 25.00 H new ATOM 0 HA TRP A 44 5.600 -11.259 -3.599 1.00 25.00 H new ATOM 0 HB2 TRP A 44 6.227 -13.304 -1.991 1.00 25.00 H new ATOM 0 HB3 TRP A 44 7.307 -12.790 -3.272 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.784 -12.104 0.488 1.00 25.00 H new ATOM 0 HE1 TRP A 44 9.038 -11.645 1.628 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.702 -12.263 -3.690 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.734 -11.303 0.800 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 12.157 -11.821 -3.461 1.00 25.00 H new ATOM 0 HH2 TRP A 44 13.149 -11.328 -1.225 1.00 25.00 H new ATOM 771 N PHE A 45 4.682 -10.366 -0.693 1.00 25.00 N ATOM 772 CA PHE A 45 3.503 -10.312 0.178 1.00 25.00 C ATOM 773 C PHE A 45 2.221 -9.948 -0.604 1.00 25.00 C ATOM 774 O PHE A 45 1.215 -10.650 -0.484 1.00 25.00 O ATOM 775 CB PHE A 45 3.727 -9.341 1.340 1.00 25.00 C ATOM 776 CG PHE A 45 2.650 -9.396 2.382 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.468 -8.653 2.229 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.810 -10.195 3.529 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.454 -8.703 3.207 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.802 -10.244 4.524 1.00 25.00 C ATOM 781 CZ PHE A 45 0.624 -9.496 4.361 1.00 25.00 C ATOM 0 H PHE A 45 5.401 -9.671 -0.491 1.00 25.00 H new ATOM 0 HA PHE A 45 3.358 -11.312 0.587 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.686 -9.562 1.808 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.790 -8.326 0.948 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.334 -8.037 1.352 1.00 25.00 H new ATOM 0 HD2 PHE A 45 3.711 -10.777 3.653 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.454 -8.134 3.073 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.939 -10.854 5.404 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.148 -9.528 5.116 1.00 25.00 H new ATOM 791 N PRO A 46 2.246 -8.890 -1.456 1.00 25.00 N ATOM 792 CA PRO A 46 0.994 -8.702 -2.203 1.00 25.00 C ATOM 793 C PRO A 46 0.723 -9.796 -3.241 1.00 25.00 C ATOM 794 O PRO A 46 -0.409 -9.974 -3.657 1.00 25.00 O ATOM 795 CB PRO A 46 1.199 -7.343 -2.878 1.00 25.00 C ATOM 796 CG PRO A 46 2.655 -7.256 -3.079 1.00 25.00 C ATOM 797 CD PRO A 46 3.230 -7.846 -1.820 1.00 25.00 C ATOM 0 HA PRO A 46 0.125 -8.751 -1.547 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.662 -7.283 -3.825 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.834 -6.528 -2.253 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.970 -7.813 -3.961 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.978 -6.225 -3.221 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.221 -8.268 -1.989 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.332 -7.097 -1.034 1.00 25.00 H new ATOM 805 N GLN A 47 1.747 -10.556 -3.618 1.00 25.00 N ATOM 806 CA GLN A 47 1.571 -11.670 -4.555 1.00 25.00 C ATOM 807 C GLN A 47 0.828 -12.821 -3.873 1.00 25.00 C ATOM 808 O GLN A 47 0.046 -13.516 -4.504 1.00 25.00 O ATOM 809 CB GLN A 47 2.923 -12.160 -5.079 1.00 25.00 C ATOM 810 CG GLN A 47 3.663 -11.117 -5.901 1.00 25.00 C ATOM 811 CD GLN A 47 5.027 -11.592 -6.347 1.00 25.00 C ATOM 812 OE1 GLN A 47 5.184 -12.680 -6.867 1.00 25.00 O ATOM 813 NE2 GLN A 47 6.021 -10.778 -6.132 1.00 25.00 N ATOM 0 H GLN A 47 2.705 -10.425 -3.293 1.00 25.00 H new ATOM 0 HA GLN A 47 0.981 -11.314 -5.400 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.546 -12.457 -4.235 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.768 -13.050 -5.689 1.00 25.00 H new ATOM 0 HG2 GLN A 47 3.067 -10.860 -6.777 1.00 25.00 H new ATOM 0 HG3 GLN A 47 3.774 -10.207 -5.312 1.00 25.00 H new ATOM 0 HE21 GLN A 47 5.853 -9.873 -5.693 1.00 25.00 H new ATOM 0 HE22 GLN A 47 6.967 -11.046 -6.402 1.00 25.00 H new ATOM 822 N GLU A 48 1.036 -12.988 -2.570 1.00 25.00 N ATOM 823 CA GLU A 48 0.290 -13.995 -1.808 1.00 25.00 C ATOM 824 C GLU A 48 -1.173 -13.542 -1.689 1.00 25.00 C ATOM 825 O GLU A 48 -2.077 -14.367 -1.555 1.00 25.00 O ATOM 826 CB GLU A 48 0.902 -14.216 -0.411 1.00 25.00 C ATOM 827 CG GLU A 48 2.288 -14.883 -0.443 1.00 25.00 C ATOM 828 CD GLU A 48 2.801 -15.274 0.946 1.00 25.00 C ATOM 829 OE1 GLU A 48 2.244 -16.219 1.544 1.00 25.00 O ATOM 830 OE2 GLU A 48 3.804 -14.686 1.420 1.00 25.00 O ATOM 0 H GLU A 48 1.706 -12.448 -2.022 1.00 25.00 H new ATOM 0 HA GLU A 48 0.343 -14.947 -2.336 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.982 -13.255 0.097 1.00 25.00 H new ATOM 0 HB3 GLU A 48 0.225 -14.833 0.179 1.00 25.00 H new ATOM 0 HG2 GLU A 48 2.241 -15.773 -1.070 1.00 25.00 H new ATOM 0 HG3 GLU A 48 3.001 -14.202 -0.908 1.00 25.00 H new ATOM 837 N GLY A 49 -1.387 -12.230 -1.766 1.00 25.00 N ATOM 838 CA GLY A 49 -2.727 -11.648 -1.836 1.00 25.00 C ATOM 839 C GLY A 49 -3.663 -11.950 -0.684 1.00 25.00 C ATOM 840 O GLY A 49 -4.863 -11.751 -0.809 1.00 25.00 O ATOM 0 H GLY A 49 -0.636 -11.540 -1.782 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.624 -10.566 -1.915 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.199 -11.991 -2.756 1.00 25.00 H new ATOM 844 N THR A 50 -3.137 -12.477 0.407 1.00 25.00 N ATOM 845 CA THR A 50 -3.956 -12.978 1.507 1.00 25.00 C ATOM 846 C THR A 50 -3.428 -12.445 2.824 1.00 25.00 C ATOM 847 O THR A 50 -2.215 -12.449 3.053 1.00 25.00 O ATOM 848 CB THR A 50 -3.874 -14.518 1.544 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.211 -15.056 0.264 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.795 -15.129 2.585 1.00 25.00 C ATOM 0 H THR A 50 -2.133 -12.572 0.560 1.00 25.00 H new ATOM 0 HA THR A 50 -4.986 -12.653 1.358 1.00 25.00 H new ATOM 0 HB THR A 50 -2.848 -14.769 1.812 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.490 -14.865 -0.371 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.696 -16.214 2.566 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.525 -14.757 3.573 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.827 -14.855 2.364 1.00 25.00 H new ATOM 858 N ILE A 51 -4.321 -12.012 3.698 1.00 25.00 N ATOM 859 CA ILE A 51 -3.928 -11.511 5.005 1.00 25.00 C ATOM 860 C ILE A 51 -4.274 -12.546 6.044 1.00 25.00 C ATOM 861 O ILE A 51 -5.428 -12.822 6.344 1.00 25.00 O ATOM 862 CB ILE A 51 -4.619 -10.190 5.367 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.379 -9.127 4.293 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.120 -9.665 6.747 1.00 25.00 C ATOM 865 CD1 ILE A 51 -2.945 -8.789 3.983 1.00 25.00 C ATOM 0 H ILE A 51 -5.326 -11.997 3.526 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.856 -11.319 4.975 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.689 -10.387 5.428 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.856 -9.461 3.372 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -4.885 -8.212 4.601 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.623 -8.727 6.983 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.344 -10.401 7.519 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.044 -9.498 6.705 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -2.911 -8.024 3.207 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.457 -8.415 4.883 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.428 -9.683 3.634 1.00 25.00 H new ATOM 877 N ASP A 52 -3.230 -13.110 6.605 1.00 25.00 N ATOM 878 CA ASP A 52 -3.358 -14.101 7.654 1.00 25.00 C ATOM 879 C ASP A 52 -2.136 -13.955 8.513 1.00 25.00 C ATOM 880 O ASP A 52 -1.133 -13.378 8.091 1.00 25.00 O ATOM 881 CB ASP A 52 -3.408 -15.516 7.083 1.00 25.00 C ATOM 882 CG ASP A 52 -3.536 -16.567 8.161 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.293 -16.354 9.128 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.730 -17.516 8.140 1.00 25.00 O ATOM 0 H ASP A 52 -2.266 -12.896 6.349 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.281 -13.947 8.212 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.251 -15.599 6.397 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.505 -15.703 6.502 1.00 25.00 H new ATOM 889 N ILE A 53 -2.200 -14.497 9.709 1.00 25.00 N ATOM 890 CA ILE A 53 -1.097 -14.418 10.631 1.00 25.00 C ATOM 891 C ILE A 53 0.101 -15.207 10.106 1.00 25.00 C ATOM 892 O ILE A 53 1.235 -14.820 10.329 1.00 25.00 O ATOM 893 CB ILE A 53 -1.562 -14.890 12.022 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.521 -14.548 13.094 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.874 -16.396 12.045 1.00 25.00 C ATOM 896 CD1 ILE A 53 -0.290 -13.063 13.325 1.00 25.00 C ATOM 0 H ILE A 53 -3.013 -15.000 10.065 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.763 -13.385 10.727 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.486 -14.356 12.246 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.831 -15.001 14.036 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.427 -15.007 12.816 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.198 -16.685 13.045 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.667 -16.614 11.329 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.979 -16.957 11.777 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.463 -12.928 14.101 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.055 -12.600 12.400 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -1.223 -12.594 13.639 1.00 25.00 H new ATOM 908 N LYS A 54 -0.133 -16.262 9.335 1.00 25.00 N ATOM 909 CA LYS A 54 0.980 -17.020 8.749 1.00 25.00 C ATOM 910 C LYS A 54 1.736 -16.141 7.760 1.00 25.00 C ATOM 911 O LYS A 54 2.961 -16.162 7.711 1.00 25.00 O ATOM 912 CB LYS A 54 0.467 -18.276 8.042 1.00 25.00 C ATOM 913 CG LYS A 54 -0.213 -19.271 8.983 1.00 25.00 C ATOM 914 CD LYS A 54 -0.977 -20.326 8.195 1.00 25.00 C ATOM 915 CE LYS A 54 -1.893 -21.123 9.115 1.00 25.00 C ATOM 916 NZ LYS A 54 -2.783 -22.045 8.331 1.00 25.00 N ATOM 0 H LYS A 54 -1.062 -16.612 9.101 1.00 25.00 H new ATOM 0 HA LYS A 54 1.652 -17.326 9.551 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.238 -17.983 7.264 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.302 -18.770 7.545 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.535 -19.752 9.613 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.896 -18.742 9.647 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.566 -19.848 7.412 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.275 -20.998 7.701 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -1.293 -21.702 9.817 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.503 -20.440 9.706 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -3.395 -22.575 8.984 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.372 -21.488 7.679 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -2.199 -22.712 7.787 1.00 25.00 H new ATOM 930 N ARG A 55 1.001 -15.338 7.001 1.00 25.00 N ATOM 931 CA ARG A 55 1.621 -14.417 6.044 1.00 25.00 C ATOM 932 C ARG A 55 2.324 -13.289 6.782 1.00 25.00 C ATOM 933 O ARG A 55 3.413 -12.894 6.414 1.00 25.00 O ATOM 934 CB ARG A 55 0.579 -13.816 5.089 1.00 25.00 C ATOM 935 CG ARG A 55 0.326 -14.639 3.832 1.00 25.00 C ATOM 936 CD ARG A 55 -0.830 -15.625 3.982 1.00 25.00 C ATOM 937 NE ARG A 55 -1.159 -16.246 2.688 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.629 -17.358 2.192 1.00 25.00 C ATOM 939 NH1 ARG A 55 0.264 -18.066 2.838 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.019 -17.764 1.016 1.00 25.00 N ATOM 0 H ARG A 55 -0.018 -15.302 7.025 1.00 25.00 H new ATOM 0 HA ARG A 55 2.343 -14.988 5.460 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.362 -13.698 5.626 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.906 -12.819 4.795 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.116 -13.966 3.001 1.00 25.00 H new ATOM 0 HG3 ARG A 55 1.232 -15.188 3.576 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.564 -16.397 4.704 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -1.705 -15.109 4.376 1.00 25.00 H new ATOM 0 HE ARG A 55 -1.862 -15.777 2.117 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.579 -17.769 3.761 1.00 25.00 H new ATOM 0 HH12 ARG A 55 0.644 -18.914 2.418 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -1.717 -17.230 0.498 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -0.626 -18.615 0.614 1.00 25.00 H new ATOM 954 N TRP A 56 1.711 -12.774 7.835 1.00 25.00 N ATOM 955 CA TRP A 56 2.315 -11.671 8.576 1.00 25.00 C ATOM 956 C TRP A 56 3.553 -12.096 9.368 1.00 25.00 C ATOM 957 O TRP A 56 4.497 -11.329 9.506 1.00 25.00 O ATOM 958 CB TRP A 56 1.293 -11.030 9.505 1.00 25.00 C ATOM 959 CG TRP A 56 1.786 -9.728 10.052 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.150 -9.459 11.326 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.004 -8.499 9.326 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.568 -8.171 11.472 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.503 -7.544 10.261 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.843 -8.109 7.980 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.850 -6.231 9.887 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.193 -6.785 7.599 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.689 -5.860 8.564 1.00 25.00 C ATOM 0 H TRP A 56 0.811 -13.093 8.194 1.00 25.00 H new ATOM 0 HA TRP A 56 2.644 -10.941 7.837 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.360 -10.868 8.965 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.071 -11.710 10.327 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.114 -10.178 12.131 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.879 -7.744 12.345 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.459 -8.806 7.250 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.232 -5.531 10.615 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.082 -6.477 6.570 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.943 -4.856 8.258 1.00 25.00 H new ATOM 978 N ARG A 57 3.581 -13.328 9.854 1.00 25.00 N ATOM 979 CA ARG A 57 4.761 -13.828 10.566 1.00 25.00 C ATOM 980 C ARG A 57 5.944 -13.900 9.608 1.00 25.00 C ATOM 981 O ARG A 57 7.030 -13.442 9.932 1.00 25.00 O ATOM 982 CB ARG A 57 4.474 -15.185 11.204 1.00 25.00 C ATOM 983 CG ARG A 57 3.611 -15.064 12.465 1.00 25.00 C ATOM 984 CD ARG A 57 3.066 -16.412 12.888 1.00 25.00 C ATOM 985 NE ARG A 57 2.188 -16.298 14.075 1.00 25.00 N ATOM 986 CZ ARG A 57 1.643 -17.313 14.739 1.00 25.00 C ATOM 987 NH1 ARG A 57 1.899 -18.562 14.434 1.00 25.00 N ATOM 988 NH2 ARG A 57 0.818 -17.069 15.720 1.00 25.00 N ATOM 0 H ARG A 57 2.815 -13.996 9.773 1.00 25.00 H new ATOM 0 HA ARG A 57 5.012 -13.139 11.372 1.00 25.00 H new ATOM 0 HB2 ARG A 57 3.968 -15.825 10.480 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.416 -15.672 11.456 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.204 -14.638 13.275 1.00 25.00 H new ATOM 0 HG3 ARG A 57 2.785 -14.377 12.279 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.508 -16.854 12.063 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.893 -17.086 13.110 1.00 25.00 H new ATOM 0 HE ARG A 57 1.983 -15.358 14.413 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.534 -18.780 13.666 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.463 -19.316 14.965 1.00 25.00 H new ATOM 0 HH21 ARG A 57 0.596 -16.106 15.972 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.395 -17.841 16.235 1.00 25.00 H new ATOM 1002 N ARG A 58 5.678 -14.342 8.386 1.00 25.00 N ATOM 1003 CA ARG A 58 6.688 -14.341 7.307 1.00 25.00 C ATOM 1004 C ARG A 58 7.291 -12.959 7.027 1.00 25.00 C ATOM 1005 O ARG A 58 8.436 -12.863 6.611 1.00 25.00 O ATOM 1006 CB ARG A 58 6.081 -14.896 6.011 1.00 25.00 C ATOM 1007 CG ARG A 58 5.999 -16.410 5.974 1.00 25.00 C ATOM 1008 CD ARG A 58 5.002 -16.914 4.909 1.00 25.00 C ATOM 1009 NE ARG A 58 5.230 -16.366 3.556 1.00 25.00 N ATOM 1010 CZ ARG A 58 6.181 -16.747 2.711 1.00 25.00 C ATOM 1011 NH1 ARG A 58 7.077 -17.656 3.011 1.00 25.00 N ATOM 1012 NH2 ARG A 58 6.224 -16.191 1.536 1.00 25.00 N ATOM 0 H ARG A 58 4.769 -14.710 8.105 1.00 25.00 H new ATOM 0 HA ARG A 58 7.499 -14.979 7.658 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.080 -14.484 5.884 1.00 25.00 H new ATOM 0 HB3 ARG A 58 6.677 -14.553 5.165 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.987 -16.821 5.767 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.699 -16.780 6.954 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.057 -18.002 4.862 1.00 25.00 H new ATOM 0 HD3 ARG A 58 3.990 -16.660 5.226 1.00 25.00 H new ATOM 0 HE ARG A 58 4.600 -15.628 3.242 1.00 25.00 H new ATOM 0 HH11 ARG A 58 7.062 -18.104 3.927 1.00 25.00 H new ATOM 0 HH12 ARG A 58 7.789 -17.916 2.328 1.00 25.00 H new ATOM 0 HH21 ARG A 58 5.537 -15.481 1.283 1.00 25.00 H new ATOM 0 HH22 ARG A 58 6.944 -16.465 0.868 1.00 25.00 H new ATOM 1026 N VAL A 59 6.547 -11.890 7.277 1.00 25.00 N ATOM 1027 CA VAL A 59 7.076 -10.530 7.084 1.00 25.00 C ATOM 1028 C VAL A 59 8.175 -10.263 8.100 1.00 25.00 C ATOM 1029 O VAL A 59 9.197 -9.658 7.792 1.00 25.00 O ATOM 1030 CB VAL A 59 5.970 -9.454 7.276 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.522 -8.053 7.096 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.855 -9.687 6.300 1.00 25.00 C ATOM 0 H VAL A 59 5.584 -11.928 7.611 1.00 25.00 H new ATOM 0 HA VAL A 59 7.460 -10.468 6.066 1.00 25.00 H new ATOM 0 HB VAL A 59 5.591 -9.541 8.294 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.722 -7.326 7.237 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.308 -7.875 7.830 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.933 -7.950 6.092 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.084 -8.929 6.441 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.243 -9.626 5.283 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.427 -10.676 6.466 1.00 25.00 H new ATOM 1042 N GLY A 60 7.965 -10.735 9.316 1.00 25.00 N ATOM 1043 CA GLY A 60 8.939 -10.531 10.366 1.00 25.00 C ATOM 1044 C GLY A 60 10.188 -11.339 10.103 1.00 25.00 C ATOM 1045 O GLY A 60 11.297 -10.868 10.336 1.00 25.00 O ATOM 0 H GLY A 60 7.135 -11.258 9.597 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.192 -9.473 10.433 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.511 -10.817 11.326 1.00 25.00 H new ATOM 1049 N ASP A 61 10.009 -12.532 9.555 1.00 25.00 N ATOM 1050 CA ASP A 61 11.139 -13.387 9.186 1.00 25.00 C ATOM 1051 C ASP A 61 11.956 -12.665 8.110 1.00 25.00 C ATOM 1052 O ASP A 61 13.184 -12.645 8.140 1.00 25.00 O ATOM 1053 CB ASP A 61 10.644 -14.737 8.640 1.00 25.00 C ATOM 1054 CG ASP A 61 9.807 -15.514 9.651 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.115 -15.474 10.859 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.816 -16.157 9.226 1.00 25.00 O ATOM 0 H ASP A 61 9.093 -12.934 9.354 1.00 25.00 H new ATOM 0 HA ASP A 61 11.751 -13.581 10.067 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.052 -14.565 7.741 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.502 -15.341 8.345 1.00 25.00 H new ATOM 1061 N CYS A 62 11.251 -12.025 7.186 1.00 25.00 N ATOM 1062 CA CYS A 62 11.881 -11.244 6.123 1.00 25.00 C ATOM 1063 C CYS A 62 12.661 -10.053 6.677 1.00 25.00 C ATOM 1064 O CYS A 62 13.784 -9.788 6.245 1.00 25.00 O ATOM 1065 CB CYS A 62 10.812 -10.724 5.165 1.00 25.00 C ATOM 1066 SG CYS A 62 11.001 -11.302 3.468 1.00 25.00 S ATOM 0 H CYS A 62 10.232 -12.031 7.150 1.00 25.00 H new ATOM 0 HA CYS A 62 12.578 -11.902 5.604 1.00 25.00 H new ATOM 0 HB2 CYS A 62 9.831 -11.026 5.533 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.833 -9.634 5.171 1.00 25.00 H new ATOM 0 HG CYS A 62 10.960 -10.287 2.657 1.00 25.00 H new ATOM 1072 N PHE A 63 12.083 -9.336 7.635 1.00 25.00 N ATOM 1073 CA PHE A 63 12.781 -8.200 8.234 1.00 25.00 C ATOM 1074 C PHE A 63 14.039 -8.696 8.906 1.00 25.00 C ATOM 1075 O PHE A 63 15.070 -8.052 8.824 1.00 25.00 O ATOM 1076 CB PHE A 63 11.958 -7.499 9.320 1.00 25.00 C ATOM 1077 CG PHE A 63 10.750 -6.742 8.817 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.780 -6.029 7.599 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.578 -6.699 9.598 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.648 -5.297 7.159 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.449 -5.955 9.175 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.485 -5.259 7.951 1.00 25.00 C ATOM 0 H PHE A 63 11.151 -9.515 8.009 1.00 25.00 H new ATOM 0 HA PHE A 63 12.978 -7.496 7.426 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.626 -8.245 10.042 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.606 -6.805 9.855 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.675 -6.041 6.995 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.540 -7.241 10.532 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.678 -4.769 6.217 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.562 -5.922 9.790 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.623 -4.698 7.621 1.00 25.00 H new ATOM 1092 N GLN A 64 13.951 -9.824 9.595 1.00 25.00 N ATOM 1093 CA GLN A 64 15.092 -10.341 10.335 1.00 25.00 C ATOM 1094 C GLN A 64 16.202 -10.777 9.391 1.00 25.00 C ATOM 1095 O GLN A 64 17.364 -10.544 9.662 1.00 25.00 O ATOM 1096 CB GLN A 64 14.673 -11.510 11.225 1.00 25.00 C ATOM 1097 CG GLN A 64 15.744 -11.904 12.244 1.00 25.00 C ATOM 1098 CD GLN A 64 16.078 -10.769 13.197 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.219 -10.273 13.907 1.00 25.00 O ATOM 1100 NE2 GLN A 64 17.316 -10.349 13.204 1.00 25.00 N ATOM 0 H GLN A 64 13.108 -10.395 9.657 1.00 25.00 H new ATOM 0 HA GLN A 64 15.471 -9.537 10.966 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.757 -11.246 11.754 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.442 -12.371 10.598 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.399 -12.766 12.815 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.648 -12.211 11.718 1.00 25.00 H new ATOM 0 HE21 GLN A 64 18.007 -10.789 12.596 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.591 -9.582 13.817 1.00 25.00 H new ATOM 1109 N ASP A 65 15.851 -11.378 8.268 1.00 25.00 N ATOM 1110 CA ASP A 65 16.859 -11.784 7.288 1.00 25.00 C ATOM 1111 C ASP A 65 17.582 -10.577 6.725 1.00 25.00 C ATOM 1112 O ASP A 65 18.811 -10.551 6.602 1.00 25.00 O ATOM 1113 CB ASP A 65 16.198 -12.515 6.134 1.00 25.00 C ATOM 1114 CG ASP A 65 17.212 -13.075 5.152 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.201 -13.692 5.599 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.065 -12.836 3.932 1.00 25.00 O ATOM 0 H ASP A 65 14.889 -11.596 8.008 1.00 25.00 H new ATOM 0 HA ASP A 65 17.571 -12.435 7.796 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.586 -13.328 6.524 1.00 25.00 H new ATOM 0 HB3 ASP A 65 15.527 -11.833 5.611 1.00 25.00 H new ATOM 1121 N TYR A 66 16.815 -9.554 6.392 1.00 25.00 N ATOM 1122 CA TYR A 66 17.394 -8.351 5.824 1.00 25.00 C ATOM 1123 C TYR A 66 18.202 -7.613 6.886 1.00 25.00 C ATOM 1124 O TYR A 66 19.243 -7.016 6.591 1.00 25.00 O ATOM 1125 CB TYR A 66 16.297 -7.467 5.232 1.00 25.00 C ATOM 1126 CG TYR A 66 16.735 -6.777 3.960 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.248 -7.529 2.878 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.643 -5.379 3.820 1.00 25.00 C ATOM 1129 CE1 TYR A 66 17.679 -6.895 1.692 1.00 25.00 C ATOM 1130 CE2 TYR A 66 17.066 -4.741 2.622 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.589 -5.510 1.579 1.00 25.00 C ATOM 1132 OH TYR A 66 18.028 -4.916 0.428 1.00 25.00 O ATOM 0 H TYR A 66 15.801 -9.532 6.503 1.00 25.00 H new ATOM 0 HA TYR A 66 18.072 -8.621 5.015 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.416 -8.075 5.027 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.003 -6.717 5.966 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.311 -8.604 2.960 1.00 25.00 H new ATOM 0 HD2 TYR A 66 16.247 -4.785 4.631 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.076 -7.481 0.877 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.984 -3.669 2.519 1.00 25.00 H new ATOM 0 HH TYR A 66 18.335 -5.604 -0.199 1.00 25.00 H new ATOM 1142 N PHE A 67 17.763 -7.730 8.132 1.00 25.00 N ATOM 1143 CA PHE A 67 18.495 -7.151 9.261 1.00 25.00 C ATOM 1144 C PHE A 67 19.813 -7.895 9.459 1.00 25.00 C ATOM 1145 O PHE A 67 20.837 -7.286 9.689 1.00 25.00 O ATOM 1146 CB PHE A 67 17.651 -7.236 10.538 1.00 25.00 C ATOM 1147 CG PHE A 67 18.288 -6.591 11.743 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.256 -7.282 12.501 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.905 -5.299 12.142 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.843 -6.682 13.642 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.476 -4.695 13.285 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.452 -5.385 14.033 1.00 25.00 C ATOM 0 H PHE A 67 16.906 -8.219 8.391 1.00 25.00 H new ATOM 0 HA PHE A 67 18.704 -6.103 9.047 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.686 -6.764 10.355 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.455 -8.285 10.762 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.553 -8.278 12.209 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.165 -4.761 11.568 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.589 -7.217 14.211 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.165 -3.705 13.585 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.898 -4.922 14.901 1.00 25.00 H new ATOM 1162 N ASN A 68 19.796 -9.213 9.340 1.00 25.00 N ATOM 1163 CA ASN A 68 21.004 -10.018 9.542 1.00 25.00 C ATOM 1164 C ASN A 68 22.039 -9.731 8.459 1.00 25.00 C ATOM 1165 O ASN A 68 23.234 -9.881 8.673 1.00 25.00 O ATOM 1166 CB ASN A 68 20.669 -11.515 9.507 1.00 25.00 C ATOM 1167 CG ASN A 68 19.822 -11.958 10.676 1.00 25.00 C ATOM 1168 OD1 ASN A 68 19.750 -11.301 11.704 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.181 -13.087 10.526 1.00 25.00 N ATOM 0 H ASN A 68 18.963 -9.753 9.105 1.00 25.00 H new ATOM 0 HA ASN A 68 21.412 -9.751 10.517 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.145 -11.743 8.579 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.596 -12.089 9.499 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.597 -13.446 11.281 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.265 -13.609 9.654 1.00 25.00 H new ATOM 1176 N THR A 69 21.567 -9.348 7.283 1.00 25.00 N ATOM 1177 CA THR A 69 22.449 -9.104 6.145 1.00 25.00 C ATOM 1178 C THR A 69 23.276 -7.815 6.286 1.00 25.00 C ATOM 1179 O THR A 69 24.418 -7.764 5.836 1.00 25.00 O ATOM 1180 CB THR A 69 21.621 -9.034 4.835 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.791 -10.194 4.738 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.513 -9.030 3.599 1.00 25.00 C ATOM 0 H THR A 69 20.577 -9.198 7.088 1.00 25.00 H new ATOM 0 HA THR A 69 23.149 -9.939 6.114 1.00 25.00 H new ATOM 0 HB THR A 69 21.040 -8.113 4.872 1.00 25.00 H new ATOM 0 HG1 THR A 69 21.218 -10.854 4.153 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.894 -8.980 2.703 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.175 -8.165 3.631 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.109 -9.942 3.578 1.00 25.00 H new ATOM 1190 N PHE A 70 22.689 -6.770 6.860 1.00 25.00 N ATOM 1191 CA PHE A 70 23.353 -5.455 6.924 1.00 25.00 C ATOM 1192 C PHE A 70 23.444 -4.820 8.313 1.00 25.00 C ATOM 1193 O PHE A 70 24.146 -3.836 8.500 1.00 25.00 O ATOM 1194 CB PHE A 70 22.585 -4.486 6.032 1.00 25.00 C ATOM 1195 CG PHE A 70 22.899 -4.623 4.568 1.00 25.00 C ATOM 1196 CD1 PHE A 70 23.945 -3.876 3.996 1.00 25.00 C ATOM 1197 CD2 PHE A 70 22.142 -5.478 3.747 1.00 25.00 C ATOM 1198 CE1 PHE A 70 24.245 -3.986 2.615 1.00 25.00 C ATOM 1199 CE2 PHE A 70 22.432 -5.600 2.361 1.00 25.00 C ATOM 1200 CZ PHE A 70 23.487 -4.850 1.797 1.00 25.00 C ATOM 0 H PHE A 70 21.763 -6.798 7.287 1.00 25.00 H new ATOM 0 HA PHE A 70 24.379 -5.637 6.604 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.516 -4.641 6.180 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.806 -3.466 6.347 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.527 -3.211 4.617 1.00 25.00 H new ATOM 0 HD2 PHE A 70 21.331 -6.049 4.175 1.00 25.00 H new ATOM 0 HE1 PHE A 70 25.053 -3.409 2.190 1.00 25.00 H new ATOM 0 HE2 PHE A 70 21.848 -6.264 1.741 1.00 25.00 H new ATOM 0 HZ PHE A 70 23.713 -4.937 0.744 1.00 25.00 H new ATOM 1210 N GLY A 71 22.708 -5.342 9.276 1.00 25.00 N ATOM 1211 CA GLY A 71 22.644 -4.726 10.589 1.00 25.00 C ATOM 1212 C GLY A 71 21.483 -3.747 10.681 1.00 25.00 C ATOM 1213 O GLY A 71 20.626 -3.696 9.782 1.00 25.00 O ATOM 0 H GLY A 71 22.148 -6.188 9.175 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.534 -5.498 11.351 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.579 -4.206 10.796 1.00 25.00 H new ATOM 1217 N PRO A 72 21.418 -2.936 11.752 1.00 25.00 N ATOM 1218 CA PRO A 72 20.290 -2.017 11.955 1.00 25.00 C ATOM 1219 C PRO A 72 20.238 -0.821 11.007 1.00 25.00 C ATOM 1220 O PRO A 72 19.281 -0.055 11.034 1.00 25.00 O ATOM 1221 CB PRO A 72 20.491 -1.553 13.401 1.00 25.00 C ATOM 1222 CG PRO A 72 21.955 -1.595 13.587 1.00 25.00 C ATOM 1223 CD PRO A 72 22.379 -2.852 12.870 1.00 25.00 C ATOM 0 HA PRO A 72 19.345 -2.520 11.753 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.097 -0.549 13.557 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.980 -2.209 14.106 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.436 -0.713 13.164 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.222 -1.629 14.643 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.407 -2.787 12.514 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.321 -3.726 13.519 1.00 25.00 H new ATOM 1231 N GLU A 73 21.237 -0.673 10.145 1.00 25.00 N ATOM 1232 CA GLU A 73 21.229 0.405 9.154 1.00 25.00 C ATOM 1233 C GLU A 73 20.153 0.166 8.096 1.00 25.00 C ATOM 1234 O GLU A 73 19.727 1.092 7.411 1.00 25.00 O ATOM 1235 CB GLU A 73 22.598 0.523 8.464 1.00 25.00 C ATOM 1236 CG GLU A 73 23.000 -0.715 7.656 1.00 25.00 C ATOM 1237 CD GLU A 73 24.197 -0.468 6.754 1.00 25.00 C ATOM 1238 OE1 GLU A 73 25.197 0.119 7.215 1.00 25.00 O ATOM 1239 OE2 GLU A 73 24.113 -0.836 5.555 1.00 25.00 O ATOM 0 H GLU A 73 22.057 -1.278 10.109 1.00 25.00 H new ATOM 0 HA GLU A 73 21.011 1.333 9.682 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.585 1.388 7.801 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.359 0.713 9.221 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.230 -1.531 8.341 1.00 25.00 H new ATOM 0 HG3 GLU A 73 22.154 -1.037 7.049 1.00 25.00 H new ATOM 1246 N LYS A 74 19.738 -1.087 7.939 1.00 25.00 N ATOM 1247 CA LYS A 74 18.786 -1.442 6.889 1.00 25.00 C ATOM 1248 C LYS A 74 17.374 -1.616 7.371 1.00 25.00 C ATOM 1249 O LYS A 74 16.439 -1.216 6.684 1.00 25.00 O ATOM 1250 CB LYS A 74 19.236 -2.719 6.200 1.00 25.00 C ATOM 1251 CG LYS A 74 20.015 -2.476 4.929 1.00 25.00 C ATOM 1252 CD LYS A 74 19.167 -1.837 3.834 1.00 25.00 C ATOM 1253 CE LYS A 74 19.935 -1.786 2.529 1.00 25.00 C ATOM 1254 NZ LYS A 74 20.275 -3.167 2.059 1.00 25.00 N ATOM 0 H LYS A 74 20.042 -1.869 8.519 1.00 25.00 H new ATOM 0 HA LYS A 74 18.777 -0.600 6.197 1.00 25.00 H new ATOM 0 HB2 LYS A 74 19.852 -3.297 6.889 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.360 -3.326 5.970 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.866 -1.831 5.147 1.00 25.00 H new ATOM 0 HG3 LYS A 74 20.416 -3.422 4.567 1.00 25.00 H new ATOM 0 HD2 LYS A 74 18.247 -2.406 3.699 1.00 25.00 H new ATOM 0 HD3 LYS A 74 18.877 -0.829 4.132 1.00 25.00 H new ATOM 0 HE2 LYS A 74 19.341 -1.275 1.772 1.00 25.00 H new ATOM 0 HE3 LYS A 74 20.849 -1.207 2.662 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 20.551 -3.135 1.057 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 21.064 -3.541 2.624 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 19.446 -3.785 2.170 1.00 25.00 H new ATOM 1268 N VAL A 75 17.202 -2.197 8.544 1.00 25.00 N ATOM 1269 CA VAL A 75 15.872 -2.297 9.123 1.00 25.00 C ATOM 1270 C VAL A 75 16.000 -1.722 10.525 1.00 25.00 C ATOM 1271 O VAL A 75 16.875 -2.137 11.287 1.00 25.00 O ATOM 1272 CB VAL A 75 15.402 -3.788 9.192 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.008 -3.897 9.813 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.391 -4.421 7.789 1.00 25.00 C ATOM 0 H VAL A 75 17.950 -2.601 9.107 1.00 25.00 H new ATOM 0 HA VAL A 75 15.135 -1.763 8.524 1.00 25.00 H new ATOM 0 HB VAL A 75 16.110 -4.327 9.822 1.00 25.00 H new ATOM 0 HG11 VAL A 75 13.706 -4.944 9.849 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.027 -3.490 10.824 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.296 -3.335 9.209 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.061 -5.457 7.860 1.00 25.00 H new ATOM 0 HG22 VAL A 75 14.709 -3.866 7.145 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.395 -4.388 7.367 1.00 25.00 H new ATOM 1284 N PRO A 76 15.099 -0.806 10.913 1.00 25.00 N ATOM 1285 CA PRO A 76 15.233 -0.304 12.278 1.00 25.00 C ATOM 1286 C PRO A 76 14.596 -1.240 13.289 1.00 25.00 C ATOM 1287 O PRO A 76 13.675 -1.984 12.969 1.00 25.00 O ATOM 1288 CB PRO A 76 14.483 1.020 12.218 1.00 25.00 C ATOM 1289 CG PRO A 76 13.403 0.786 11.233 1.00 25.00 C ATOM 1290 CD PRO A 76 14.000 -0.134 10.189 1.00 25.00 C ATOM 0 HA PRO A 76 16.271 -0.210 12.596 1.00 25.00 H new ATOM 0 HB2 PRO A 76 14.079 1.293 13.193 1.00 25.00 H new ATOM 0 HB3 PRO A 76 15.137 1.834 11.905 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.533 0.331 11.706 1.00 25.00 H new ATOM 0 HG3 PRO A 76 13.070 1.723 10.786 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.267 -0.850 9.818 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.368 0.422 9.327 1.00 25.00 H new ATOM 1298 N VAL A 77 15.021 -1.153 14.537 1.00 25.00 N ATOM 1299 CA VAL A 77 14.427 -1.981 15.586 1.00 25.00 C ATOM 1300 C VAL A 77 12.955 -1.610 15.827 1.00 25.00 C ATOM 1301 O VAL A 77 12.161 -2.440 16.265 1.00 25.00 O ATOM 1302 CB VAL A 77 15.242 -1.901 16.905 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.644 -2.501 16.693 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.370 -0.448 17.395 1.00 25.00 C ATOM 0 H VAL A 77 15.764 -0.529 14.852 1.00 25.00 H new ATOM 0 HA VAL A 77 14.459 -3.014 15.239 1.00 25.00 H new ATOM 0 HB VAL A 77 14.709 -2.473 17.665 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.210 -2.441 17.623 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.551 -3.544 16.391 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.165 -1.943 15.915 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.946 -0.425 18.320 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.878 0.148 16.637 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.377 -0.036 17.575 1.00 25.00 H new ATOM 1314 N THR A 78 12.564 -0.390 15.472 1.00 25.00 N ATOM 1315 CA THR A 78 11.164 0.018 15.620 1.00 25.00 C ATOM 1316 C THR A 78 10.275 -0.684 14.610 1.00 25.00 C ATOM 1317 O THR A 78 9.094 -0.872 14.856 1.00 25.00 O ATOM 1318 CB THR A 78 10.968 1.561 15.509 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.605 1.898 15.763 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.351 2.123 14.153 1.00 25.00 C ATOM 0 H THR A 78 13.181 0.325 15.086 1.00 25.00 H new ATOM 0 HA THR A 78 10.871 -0.281 16.627 1.00 25.00 H new ATOM 0 HB THR A 78 11.633 2.002 16.252 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.489 2.869 15.693 1.00 25.00 H new ATOM 0 HG21 THR A 78 11.189 3.201 14.147 1.00 25.00 H new ATOM 0 HG22 THR A 78 12.402 1.913 13.956 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.737 1.660 13.381 1.00 25.00 H new ATOM 1328 N ALA A 79 10.835 -1.133 13.495 1.00 25.00 N ATOM 1329 CA ALA A 79 10.025 -1.824 12.506 1.00 25.00 C ATOM 1330 C ALA A 79 9.515 -3.143 13.080 1.00 25.00 C ATOM 1331 O ALA A 79 8.379 -3.514 12.842 1.00 25.00 O ATOM 1332 CB ALA A 79 10.821 -2.050 11.251 1.00 25.00 C ATOM 0 H ALA A 79 11.822 -1.034 13.257 1.00 25.00 H new ATOM 0 HA ALA A 79 9.163 -1.207 12.252 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.204 -2.568 10.517 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.139 -1.090 10.844 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.698 -2.656 11.480 1.00 25.00 H new ATOM 1338 N PHE A 80 10.331 -3.816 13.879 1.00 25.00 N ATOM 1339 CA PHE A 80 9.912 -5.065 14.522 1.00 25.00 C ATOM 1340 C PHE A 80 8.885 -4.778 15.617 1.00 25.00 C ATOM 1341 O PHE A 80 8.009 -5.589 15.901 1.00 25.00 O ATOM 1342 CB PHE A 80 11.111 -5.775 15.152 1.00 25.00 C ATOM 1343 CG PHE A 80 12.189 -6.137 14.169 1.00 25.00 C ATOM 1344 CD1 PHE A 80 13.224 -5.230 13.885 1.00 25.00 C ATOM 1345 CD2 PHE A 80 12.190 -7.395 13.536 1.00 25.00 C ATOM 1346 CE1 PHE A 80 14.256 -5.561 12.985 1.00 25.00 C ATOM 1347 CE2 PHE A 80 13.219 -7.744 12.630 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.253 -6.826 12.353 1.00 25.00 C ATOM 0 H PHE A 80 11.283 -3.525 14.100 1.00 25.00 H new ATOM 0 HA PHE A 80 9.471 -5.703 13.757 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.537 -5.133 15.923 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.765 -6.682 15.647 1.00 25.00 H new ATOM 0 HD1 PHE A 80 13.228 -4.263 14.365 1.00 25.00 H new ATOM 0 HD2 PHE A 80 11.398 -8.100 13.744 1.00 25.00 H new ATOM 0 HE1 PHE A 80 15.045 -4.853 12.779 1.00 25.00 H new ATOM 0 HE2 PHE A 80 13.213 -8.712 12.151 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.040 -7.088 11.661 1.00 25.00 H new ATOM 1358 N SER A 81 9.004 -3.617 16.237 1.00 25.00 N ATOM 1359 CA SER A 81 8.096 -3.226 17.317 1.00 25.00 C ATOM 1360 C SER A 81 6.717 -2.941 16.734 1.00 25.00 C ATOM 1361 O SER A 81 5.711 -3.478 17.193 1.00 25.00 O ATOM 1362 CB SER A 81 8.630 -1.988 18.042 1.00 25.00 C ATOM 1363 OG SER A 81 7.781 -1.613 19.110 1.00 25.00 O ATOM 0 H SER A 81 9.719 -2.924 16.016 1.00 25.00 H new ATOM 0 HA SER A 81 8.024 -4.040 18.039 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.631 -2.191 18.424 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.719 -1.161 17.337 1.00 25.00 H new ATOM 0 HG SER A 81 8.147 -0.821 19.556 1.00 25.00 H new ATOM 1369 N TYR A 82 6.687 -2.161 15.665 1.00 25.00 N ATOM 1370 CA TYR A 82 5.446 -1.875 14.959 1.00 25.00 C ATOM 1371 C TYR A 82 4.872 -3.152 14.382 1.00 25.00 C ATOM 1372 O TYR A 82 3.676 -3.373 14.426 1.00 25.00 O ATOM 1373 CB TYR A 82 5.706 -0.905 13.815 1.00 25.00 C ATOM 1374 CG TYR A 82 5.453 0.535 14.170 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.463 1.342 14.747 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.200 1.113 13.907 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.213 2.712 15.040 1.00 25.00 C ATOM 1378 CE2 TYR A 82 3.951 2.478 14.200 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.960 3.263 14.756 1.00 25.00 C ATOM 1380 OH TYR A 82 4.694 4.581 15.007 1.00 25.00 O ATOM 0 H TYR A 82 7.511 -1.712 15.265 1.00 25.00 H new ATOM 0 HA TYR A 82 4.743 -1.435 15.666 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.740 -1.012 13.488 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.074 -1.177 12.969 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.430 0.915 14.966 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.415 0.509 13.476 1.00 25.00 H new ATOM 0 HE1 TYR A 82 6.987 3.323 15.480 1.00 25.00 H new ATOM 0 HE2 TYR A 82 2.982 2.908 13.993 1.00 25.00 H new ATOM 0 HH TYR A 82 4.032 4.910 14.363 1.00 25.00 H new ATOM 1390 N TRP A 83 5.732 -4.004 13.854 1.00 25.00 N ATOM 1391 CA TRP A 83 5.302 -5.260 13.257 1.00 25.00 C ATOM 1392 C TRP A 83 4.545 -6.115 14.268 1.00 25.00 C ATOM 1393 O TRP A 83 3.526 -6.728 13.937 1.00 25.00 O ATOM 1394 CB TRP A 83 6.533 -6.015 12.754 1.00 25.00 C ATOM 1395 CG TRP A 83 6.278 -7.433 12.383 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.748 -7.909 11.230 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.568 -8.598 13.180 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.668 -9.271 11.240 1.00 25.00 N ATOM 1399 CE2 TRP A 83 6.176 -9.736 12.420 1.00 25.00 C ATOM 1400 CE3 TRP A 83 7.130 -8.795 14.458 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 6.344 -11.051 12.894 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 7.300 -10.120 14.938 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.908 -11.234 14.144 1.00 25.00 C ATOM 0 H TRP A 83 6.740 -3.849 13.826 1.00 25.00 H new ATOM 0 HA TRP A 83 4.628 -5.046 12.427 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.935 -5.492 11.886 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.301 -5.987 13.527 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.429 -7.288 10.406 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.290 -9.848 10.489 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.427 -7.951 15.063 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 6.040 -11.897 12.296 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 7.731 -10.284 15.915 1.00 25.00 H new ATOM 0 HH2 TRP A 83 7.053 -12.235 14.522 1.00 25.00 H new ATOM 1414 N ASN A 84 5.014 -6.120 15.509 1.00 25.00 N ATOM 1415 CA ASN A 84 4.366 -6.882 16.574 1.00 25.00 C ATOM 1416 C ASN A 84 2.973 -6.330 16.898 1.00 25.00 C ATOM 1417 O ASN A 84 2.091 -7.082 17.304 1.00 25.00 O ATOM 1418 CB ASN A 84 5.227 -6.873 17.843 1.00 25.00 C ATOM 1419 CG ASN A 84 6.191 -8.040 17.904 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.791 -9.192 18.044 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.456 -7.753 17.808 1.00 25.00 N ATOM 0 H ASN A 84 5.843 -5.604 15.806 1.00 25.00 H new ATOM 0 HA ASN A 84 4.255 -7.906 16.216 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.789 -5.940 17.889 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.577 -6.898 18.718 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.152 -8.497 17.848 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.752 -6.784 17.692 1.00 25.00 H new ATOM 1428 N LEU A 85 2.763 -5.035 16.687 1.00 25.00 N ATOM 1429 CA LEU A 85 1.471 -4.405 16.972 1.00 25.00 C ATOM 1430 C LEU A 85 0.403 -4.935 16.022 1.00 25.00 C ATOM 1431 O LEU A 85 -0.728 -5.194 16.419 1.00 25.00 O ATOM 1432 CB LEU A 85 1.589 -2.879 16.831 1.00 25.00 C ATOM 1433 CG LEU A 85 0.340 -2.060 17.182 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.709 -0.928 18.133 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.308 -1.489 15.918 1.00 25.00 C ATOM 0 H LEU A 85 3.469 -4.397 16.319 1.00 25.00 H new ATOM 0 HA LEU A 85 1.181 -4.647 17.994 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.408 -2.540 17.465 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.868 -2.652 15.802 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.377 -2.720 17.670 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.184 -0.352 18.377 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.133 -1.344 19.047 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.442 -0.277 17.657 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.192 -0.912 16.191 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.403 -0.842 15.405 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.598 -2.306 15.257 1.00 25.00 H new ATOM 1447 N ILE A 86 0.763 -5.112 14.760 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.187 -5.636 13.780 1.00 25.00 C ATOM 1449 C ILE A 86 -0.272 -7.155 13.913 1.00 25.00 C ATOM 1450 O ILE A 86 -1.318 -7.757 13.696 1.00 25.00 O ATOM 1451 CB ILE A 86 0.203 -5.257 12.339 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.273 -3.730 12.202 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.831 -5.800 11.345 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.651 -3.232 11.870 1.00 25.00 C ATOM 0 H ILE A 86 1.691 -4.905 14.390 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.160 -5.188 13.985 1.00 25.00 H new ATOM 0 HB ILE A 86 1.178 -5.693 12.120 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.420 -3.408 11.425 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.058 -3.272 13.134 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.541 -5.524 10.331 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.878 -6.886 11.426 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.810 -5.377 11.571 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.635 -2.145 11.786 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.344 -3.525 12.659 1.00 25.00 H new ATOM 0 HD13 ILE A 86 1.976 -3.664 10.923 1.00 25.00 H new ATOM 1466 N LYS A 87 0.826 -7.773 14.317 1.00 25.00 N ATOM 1467 CA LYS A 87 0.870 -9.217 14.516 1.00 25.00 C ATOM 1468 C LYS A 87 -0.195 -9.638 15.508 1.00 25.00 C ATOM 1469 O LYS A 87 -0.997 -10.503 15.201 1.00 25.00 O ATOM 1470 CB LYS A 87 2.261 -9.594 15.014 1.00 25.00 C ATOM 1471 CG LYS A 87 2.452 -11.009 15.498 1.00 25.00 C ATOM 1472 CD LYS A 87 3.787 -11.046 16.209 1.00 25.00 C ATOM 1473 CE LYS A 87 4.031 -12.324 16.974 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.300 -12.156 17.770 1.00 25.00 N ATOM 0 H LYS A 87 1.705 -7.296 14.515 1.00 25.00 H new ATOM 0 HA LYS A 87 0.671 -9.734 13.577 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.971 -9.413 14.207 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.525 -8.919 15.828 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.646 -11.300 16.172 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.438 -11.709 14.663 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.583 -10.914 15.476 1.00 25.00 H new ATOM 0 HD3 LYS A 87 3.845 -10.204 16.898 1.00 25.00 H new ATOM 0 HE2 LYS A 87 3.192 -12.538 17.636 1.00 25.00 H new ATOM 0 HE3 LYS A 87 4.120 -13.167 16.289 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.181 -12.587 18.709 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 6.086 -12.622 17.273 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.510 -11.143 17.878 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.233 -9.017 16.677 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.231 -9.391 17.679 1.00 25.00 C ATOM 1490 C GLU A 88 -2.642 -9.004 17.222 1.00 25.00 C ATOM 1491 O GLU A 88 -3.609 -9.680 17.558 1.00 25.00 O ATOM 1492 CB GLU A 88 -0.897 -8.770 19.044 1.00 25.00 C ATOM 1493 CG GLU A 88 -0.939 -7.256 19.074 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.470 -6.685 20.399 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.139 -6.912 21.425 1.00 25.00 O ATOM 1496 OE2 GLU A 88 0.492 -5.886 20.390 1.00 25.00 O ATOM 0 H GLU A 88 0.399 -8.267 16.956 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.206 -10.475 17.791 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.598 -9.155 19.785 1.00 25.00 H new ATOM 0 HB3 GLU A 88 0.098 -9.099 19.345 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.314 -6.863 18.272 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -1.957 -6.921 18.878 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.758 -7.963 16.403 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.060 -7.561 15.870 1.00 25.00 C ATOM 1505 C LEU A 89 -4.637 -8.636 14.953 1.00 25.00 C ATOM 1506 O LEU A 89 -5.828 -8.907 15.002 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.966 -6.227 15.122 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.097 -4.962 15.988 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.734 -3.729 15.155 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.522 -4.801 16.542 1.00 25.00 C ATOM 0 H LEU A 89 -1.976 -7.386 16.095 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.732 -7.434 16.719 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.009 -6.191 14.602 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.744 -6.204 14.359 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.414 -5.061 16.831 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.827 -2.834 15.770 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.708 -3.819 14.799 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.408 -3.655 14.302 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.577 -3.897 17.149 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.228 -4.726 15.715 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.773 -5.666 17.156 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.801 -9.261 14.135 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.273 -10.330 13.248 1.00 25.00 C ATOM 1524 C ILE A 90 -4.455 -11.626 14.048 1.00 25.00 C ATOM 1525 O ILE A 90 -5.436 -12.343 13.853 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.291 -10.602 12.066 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.090 -9.336 11.213 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.842 -11.732 11.145 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.921 -9.455 10.234 1.00 25.00 C ATOM 0 H ILE A 90 -2.805 -9.054 14.063 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.222 -9.999 12.827 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.338 -10.906 12.499 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -4.004 -9.131 10.656 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.920 -8.484 11.871 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.144 -11.907 10.327 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.960 -12.648 11.724 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.808 -11.432 10.739 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.830 -8.532 9.662 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.999 -9.631 10.788 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -2.100 -10.288 9.554 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.528 -11.916 14.956 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.587 -13.148 15.767 1.00 25.00 C ATOM 1543 C ASP A 91 -4.893 -13.170 16.564 1.00 25.00 C ATOM 1544 O ASP A 91 -5.517 -14.210 16.737 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.384 -13.223 16.730 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.655 -14.572 16.672 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.310 -15.625 16.766 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -0.403 -14.570 16.511 1.00 25.00 O ATOM 0 H ASP A 91 -2.724 -11.321 15.156 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.549 -14.010 15.101 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.681 -12.426 16.488 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.729 -13.046 17.749 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.333 -11.996 17.001 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.583 -11.865 17.750 1.00 25.00 C ATOM 1555 C LYS A 92 -7.642 -11.095 16.969 1.00 25.00 C ATOM 1556 O LYS A 92 -8.471 -10.399 17.558 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.310 -11.188 19.104 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.329 -11.964 20.012 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.862 -13.348 20.450 1.00 25.00 C ATOM 1560 CE LYS A 92 -6.980 -13.242 21.486 1.00 25.00 C ATOM 1561 NZ LYS A 92 -7.478 -14.606 21.868 1.00 25.00 N ATOM 0 H LYS A 92 -4.842 -11.115 16.850 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.978 -12.867 17.919 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.910 -10.190 18.925 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.255 -11.063 19.632 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.385 -12.097 19.484 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.117 -11.367 20.899 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.230 -13.885 19.576 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -5.042 -13.936 20.863 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -6.615 -12.721 22.371 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -7.801 -12.649 21.083 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -8.071 -14.533 22.719 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -8.039 -15.002 21.087 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -6.668 -15.229 22.063 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.665 -11.251 15.649 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.692 -10.584 14.823 1.00 25.00 C ATOM 1577 C LYS A 93 -10.072 -11.144 15.141 1.00 25.00 C ATOM 1578 O LYS A 93 -11.083 -10.502 14.907 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.386 -10.713 13.324 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.531 -12.122 12.747 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.960 -12.173 11.333 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.069 -13.564 10.715 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.499 -13.938 10.434 1.00 25.00 N ATOM 0 H LYS A 93 -7.001 -11.821 15.126 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.678 -9.522 15.068 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.049 -10.044 12.776 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.367 -10.369 13.147 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.011 -12.839 13.383 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.582 -12.411 12.733 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.488 -11.456 10.704 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -6.914 -11.868 11.355 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.496 -13.596 9.789 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.627 -14.297 11.389 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.546 -14.493 9.556 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.871 -14.505 11.223 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.069 -13.075 10.329 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.083 -12.328 15.734 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.309 -12.997 16.175 1.00 25.00 C ATOM 1599 C GLU A 94 -12.109 -12.166 17.181 1.00 25.00 C ATOM 1600 O GLU A 94 -13.331 -12.215 17.192 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.937 -14.336 16.829 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.642 -14.271 17.654 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.479 -15.447 18.591 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.620 -16.602 18.154 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -9.176 -15.203 19.781 1.00 25.00 O ATOM 0 H GLU A 94 -9.235 -12.861 15.927 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.936 -13.141 15.295 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.755 -14.657 17.474 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.827 -15.093 16.053 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.788 -14.231 16.977 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.633 -13.348 18.233 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.417 -11.399 18.016 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.068 -10.597 19.057 1.00 25.00 C ATOM 1614 C VAL A 95 -11.907 -9.109 18.754 1.00 25.00 C ATOM 1615 O VAL A 95 -12.256 -8.251 19.555 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.499 -10.941 20.471 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.815 -12.405 20.830 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -9.977 -10.721 20.535 1.00 25.00 C ATOM 0 H VAL A 95 -10.401 -11.313 17.996 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.131 -10.838 19.061 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.976 -10.273 21.188 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.413 -12.632 21.817 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.895 -12.554 20.834 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.361 -13.067 20.092 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.615 -10.970 21.533 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.486 -11.360 19.801 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.751 -9.677 20.317 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.394 -8.815 17.569 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.208 -7.437 17.113 1.00 25.00 C ATOM 1630 C ASN A 96 -11.929 -7.254 15.776 1.00 25.00 C ATOM 1631 O ASN A 96 -11.303 -7.270 14.713 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.716 -7.121 16.957 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.059 -6.781 18.261 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.192 -5.674 18.751 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.330 -7.707 18.815 1.00 25.00 N ATOM 0 H ASN A 96 -11.094 -9.519 16.895 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.625 -6.752 17.851 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.211 -7.979 16.513 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.595 -6.287 16.265 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -7.845 -7.517 19.692 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.244 -8.622 18.372 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.260 -7.059 15.801 1.00 25.00 N ATOM 1643 CA PRO A 97 -13.957 -6.966 14.510 1.00 25.00 C ATOM 1644 C PRO A 97 -13.588 -5.737 13.676 1.00 25.00 C ATOM 1645 O PRO A 97 -13.762 -5.736 12.460 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.433 -6.941 14.919 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.427 -6.347 16.281 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.207 -6.948 16.929 1.00 25.00 C ATOM 0 HA PRO A 97 -13.685 -7.793 13.854 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.027 -6.344 14.227 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.861 -7.943 14.924 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.365 -5.259 16.243 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.335 -6.596 16.830 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.817 -6.313 17.724 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.422 -7.920 17.374 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.032 -4.712 14.311 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.611 -3.519 13.585 1.00 25.00 C ATOM 1658 C GLN A 98 -11.482 -3.878 12.643 1.00 25.00 C ATOM 1659 O GLN A 98 -11.492 -3.501 11.472 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.119 -2.430 14.547 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.229 -1.721 15.301 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.207 -1.041 14.365 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -13.813 -0.428 13.392 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -15.474 -1.163 14.647 1.00 25.00 N ATOM 0 H GLN A 98 -12.863 -4.682 15.316 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.469 -3.138 13.031 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -11.435 -2.879 15.267 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.549 -1.692 13.982 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -13.762 -2.441 15.922 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -12.795 -0.980 15.973 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -15.765 -1.686 15.473 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -16.175 -0.736 14.041 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.506 -4.617 13.148 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.365 -4.965 12.326 1.00 25.00 C ATOM 1675 C VAL A 99 -9.717 -6.127 11.410 1.00 25.00 C ATOM 1676 O VAL A 99 -9.208 -6.198 10.321 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.075 -5.239 13.168 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.036 -6.664 13.715 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -6.828 -4.965 12.324 1.00 25.00 C ATOM 0 H VAL A 99 -10.482 -4.979 14.101 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.125 -4.102 11.705 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.094 -4.562 14.022 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.123 -6.807 14.292 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.901 -6.831 14.357 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.056 -7.372 12.887 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -5.936 -5.159 12.919 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -6.830 -5.617 11.450 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -6.829 -3.924 12.000 1.00 25.00 H new ATOM 1689 N MET A 100 -10.642 -6.992 11.806 1.00 25.00 N ATOM 1690 CA MET A 100 -11.063 -8.101 10.943 1.00 25.00 C ATOM 1691 C MET A 100 -11.654 -7.574 9.634 1.00 25.00 C ATOM 1692 O MET A 100 -11.370 -8.091 8.561 1.00 25.00 O ATOM 1693 CB MET A 100 -12.077 -8.985 11.678 1.00 25.00 C ATOM 1694 CG MET A 100 -12.677 -10.108 10.831 1.00 25.00 C ATOM 1695 SD MET A 100 -11.436 -11.173 10.060 1.00 25.00 S ATOM 1696 CE MET A 100 -12.090 -11.247 8.352 1.00 25.00 C ATOM 0 H MET A 100 -11.114 -6.953 12.709 1.00 25.00 H new ATOM 0 HA MET A 100 -10.188 -8.703 10.699 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.591 -9.425 12.549 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.886 -8.356 12.048 1.00 25.00 H new ATOM 0 HG2 MET A 100 -13.328 -10.717 11.458 1.00 25.00 H new ATOM 0 HG3 MET A 100 -13.303 -9.671 10.053 1.00 25.00 H new ATOM 0 HE1 MET A 100 -11.898 -12.234 7.931 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.164 -11.061 8.365 1.00 25.00 H new ATOM 0 HE3 MET A 100 -11.598 -10.490 7.741 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.420 -6.500 9.697 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.958 -5.920 8.472 1.00 25.00 C ATOM 1708 C ALA A 101 -11.828 -5.325 7.611 1.00 25.00 C ATOM 1709 O ALA A 101 -11.925 -5.281 6.388 1.00 25.00 O ATOM 1710 CB ALA A 101 -13.987 -4.853 8.816 1.00 25.00 C ATOM 0 H ALA A 101 -12.681 -6.019 10.558 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.444 -6.706 7.894 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.386 -4.423 7.897 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.799 -5.301 9.389 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.515 -4.069 9.408 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.752 -4.887 8.251 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.619 -4.308 7.543 1.00 25.00 C ATOM 1718 C ALA A 102 -8.764 -5.424 6.937 1.00 25.00 C ATOM 1719 O ALA A 102 -8.174 -5.242 5.894 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.790 -3.440 8.495 1.00 25.00 C ATOM 0 H ALA A 102 -10.640 -4.922 9.264 1.00 25.00 H new ATOM 0 HA ALA A 102 -9.984 -3.673 6.736 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.945 -3.012 7.955 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.412 -2.637 8.890 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.422 -4.052 9.318 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.736 -6.583 7.578 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.027 -7.761 7.060 1.00 25.00 C ATOM 1728 C VAL A 103 -8.631 -8.098 5.705 1.00 25.00 C ATOM 1729 O VAL A 103 -7.915 -8.270 4.722 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.195 -8.968 8.056 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.773 -10.308 7.455 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.396 -8.701 9.342 1.00 25.00 C ATOM 0 H VAL A 103 -9.201 -6.741 8.472 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.961 -7.559 6.958 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.259 -9.043 8.280 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.914 -11.098 8.193 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.381 -10.520 6.576 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.723 -10.263 7.167 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.517 -9.541 10.027 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.341 -8.582 9.097 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.763 -7.791 9.816 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.956 -8.130 5.653 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.660 -8.437 4.417 1.00 25.00 C ATOM 1744 C ALA A 104 -10.446 -7.338 3.368 1.00 25.00 C ATOM 1745 O ALA A 104 -10.141 -7.626 2.218 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.148 -8.624 4.714 1.00 25.00 C ATOM 0 H ALA A 104 -10.563 -7.947 6.452 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.258 -9.362 4.003 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.677 -8.854 3.789 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.278 -9.444 5.420 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.551 -7.707 5.144 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.576 -6.082 3.774 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.381 -4.967 2.847 1.00 25.00 C ATOM 1754 C GLN A 105 -8.963 -4.915 2.294 1.00 25.00 C ATOM 1755 O GLN A 105 -8.762 -4.576 1.137 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.679 -3.633 3.526 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.138 -3.221 3.459 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.328 -1.758 3.801 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.774 -0.879 3.149 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.092 -1.489 4.826 1.00 25.00 N ATOM 0 H GLN A 105 -10.813 -5.808 4.727 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.075 -5.135 2.023 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.376 -3.693 4.571 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.071 -2.857 3.062 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.524 -3.413 2.458 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.720 -3.833 4.148 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.536 -2.247 5.344 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.244 -0.521 5.108 1.00 25.00 H new ATOM 1769 N THR A 106 -7.972 -5.238 3.113 1.00 25.00 N ATOM 1770 CA THR A 106 -6.588 -5.185 2.653 1.00 25.00 C ATOM 1771 C THR A 106 -6.424 -6.155 1.496 1.00 25.00 C ATOM 1772 O THR A 106 -5.820 -5.806 0.502 1.00 25.00 O ATOM 1773 CB THR A 106 -5.566 -5.548 3.754 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.788 -4.751 4.915 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.141 -5.279 3.298 1.00 25.00 C ATOM 0 H THR A 106 -8.094 -5.534 4.081 1.00 25.00 H new ATOM 0 HA THR A 106 -6.386 -4.157 2.353 1.00 25.00 H new ATOM 0 HB THR A 106 -5.697 -6.608 3.970 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.519 -5.136 5.441 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.447 -5.545 4.096 1.00 25.00 H new ATOM 0 HG22 THR A 106 -3.923 -5.877 2.413 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.029 -4.222 3.058 1.00 25.00 H new ATOM 1783 N GLU A 107 -6.997 -7.350 1.596 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.891 -8.320 0.502 1.00 25.00 C ATOM 1785 C GLU A 107 -7.456 -7.786 -0.805 1.00 25.00 C ATOM 1786 O GLU A 107 -6.879 -8.034 -1.856 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.607 -9.628 0.833 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.929 -10.408 1.921 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.475 -11.813 2.081 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.268 -12.273 1.235 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.028 -12.493 3.030 1.00 25.00 O ATOM 0 H GLU A 107 -7.530 -7.670 2.405 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.823 -8.503 0.381 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.631 -9.409 1.135 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.664 -10.242 -0.066 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.861 -10.463 1.708 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.039 -9.873 2.864 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.556 -7.047 -0.752 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.146 -6.465 -1.963 1.00 25.00 C ATOM 1800 C GLU A 108 -8.166 -5.465 -2.575 1.00 25.00 C ATOM 1801 O GLU A 108 -7.930 -5.445 -3.784 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.448 -5.720 -1.631 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.535 -6.580 -1.004 1.00 25.00 C ATOM 1804 CD GLU A 108 -12.777 -5.764 -0.665 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -12.666 -4.805 0.137 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.861 -6.069 -1.206 1.00 25.00 O ATOM 0 H GLU A 108 -9.060 -6.834 0.109 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.360 -7.274 -2.661 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.217 -4.899 -0.952 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -10.839 -5.276 -2.546 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.804 -7.383 -1.690 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.150 -7.049 -0.099 1.00 25.00 H new ATOM 1813 N ILE A 109 -7.588 -4.645 -1.713 1.00 25.00 N ATOM 1814 CA ILE A 109 -6.660 -3.594 -2.125 1.00 25.00 C ATOM 1815 C ILE A 109 -5.385 -4.215 -2.688 1.00 25.00 C ATOM 1816 O ILE A 109 -4.820 -3.702 -3.645 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.341 -2.652 -0.923 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -7.639 -1.951 -0.469 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.275 -1.587 -1.302 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.578 -1.363 0.930 1.00 25.00 C ATOM 0 H ILE A 109 -7.746 -4.686 -0.706 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.124 -2.995 -2.908 1.00 25.00 H new ATOM 0 HB ILE A 109 -5.936 -3.256 -0.111 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -7.873 -1.154 -1.175 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -8.459 -2.668 -0.513 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.077 -0.948 -0.441 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.354 -2.086 -1.603 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -5.645 -0.979 -2.128 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.531 -0.890 1.168 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.377 -2.157 1.650 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -6.782 -0.620 0.978 1.00 25.00 H new ATOM 1832 N LEU A 110 -4.960 -5.348 -2.147 1.00 25.00 N ATOM 1833 CA LEU A 110 -3.766 -6.028 -2.659 1.00 25.00 C ATOM 1834 C LEU A 110 -3.953 -6.463 -4.108 1.00 25.00 C ATOM 1835 O LEU A 110 -3.011 -6.397 -4.885 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.391 -7.261 -1.817 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.901 -7.056 -0.371 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.422 -8.391 0.191 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -1.795 -6.007 -0.261 1.00 25.00 C ATOM 0 H LEU A 110 -5.414 -5.816 -1.363 1.00 25.00 H new ATOM 0 HA LEU A 110 -2.956 -5.301 -2.595 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.264 -7.912 -1.779 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -2.613 -7.803 -2.355 1.00 25.00 H new ATOM 0 HG LEU A 110 -3.742 -6.680 0.211 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.074 -8.251 1.214 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -3.245 -9.106 0.182 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -1.604 -8.771 -0.421 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.491 -5.907 0.781 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -0.939 -6.317 -0.861 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.165 -5.048 -0.625 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.159 -6.879 -4.487 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.402 -7.300 -5.879 1.00 25.00 C ATOM 1853 C LYS A 111 -5.448 -6.089 -6.804 1.00 25.00 C ATOM 1854 O LYS A 111 -5.199 -6.199 -7.996 1.00 25.00 O ATOM 1855 CB LYS A 111 -6.730 -8.061 -6.030 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.002 -9.165 -5.008 1.00 25.00 C ATOM 1857 CD LYS A 111 -5.929 -10.245 -4.922 1.00 25.00 C ATOM 1858 CE LYS A 111 -6.432 -11.403 -4.047 1.00 25.00 C ATOM 1859 NZ LYS A 111 -6.823 -10.958 -2.658 1.00 25.00 N ATOM 0 H LYS A 111 -5.971 -6.936 -3.872 1.00 25.00 H new ATOM 0 HA LYS A 111 -4.579 -7.961 -6.149 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.545 -7.339 -5.978 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -6.759 -8.503 -7.026 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.116 -8.709 -4.025 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -7.953 -9.638 -5.252 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -5.685 -10.609 -5.920 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -5.013 -9.829 -4.502 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.290 -11.871 -4.529 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -5.654 -12.163 -3.975 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -6.253 -11.471 -1.956 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -6.655 -9.936 -2.561 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -7.831 -11.160 -2.500 1.00 25.00 H new ATOM 1873 N SER A 112 -5.808 -4.946 -6.242 1.00 25.00 N ATOM 1874 CA SER A 112 -5.915 -3.695 -6.995 1.00 25.00 C ATOM 1875 C SER A 112 -4.563 -3.008 -7.133 1.00 25.00 C ATOM 1876 O SER A 112 -4.417 -2.025 -7.858 1.00 25.00 O ATOM 1877 CB SER A 112 -6.860 -2.747 -6.266 1.00 25.00 C ATOM 1878 OG SER A 112 -7.262 -1.682 -7.109 1.00 25.00 O ATOM 0 H SER A 112 -6.035 -4.854 -5.252 1.00 25.00 H new ATOM 0 HA SER A 112 -6.291 -3.936 -7.989 1.00 25.00 H new ATOM 0 HB2 SER A 112 -7.738 -3.295 -5.923 1.00 25.00 H new ATOM 0 HB3 SER A 112 -6.367 -2.348 -5.379 1.00 25.00 H new ATOM 0 HG SER A 112 -6.503 -1.396 -7.659 1.00 25.00 H new ATOM 1884 N ASN A 113 -3.600 -3.489 -6.367 1.00 25.00 N ATOM 1885 CA ASN A 113 -2.269 -2.896 -6.328 1.00 25.00 C ATOM 1886 C ASN A 113 -1.364 -3.544 -7.369 1.00 25.00 C ATOM 1887 O ASN A 113 -1.550 -4.709 -7.702 1.00 25.00 O ATOM 1888 CB ASN A 113 -1.662 -3.080 -4.934 1.00 25.00 C ATOM 1889 CG ASN A 113 -1.058 -1.815 -4.400 1.00 25.00 C ATOM 1890 OD1 ASN A 113 0.160 -1.633 -4.417 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -1.888 -0.934 -3.927 1.00 25.00 N ATOM 0 H ASN A 113 -3.714 -4.298 -5.756 1.00 25.00 H new ATOM 0 HA ASN A 113 -2.355 -1.833 -6.552 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -2.434 -3.428 -4.248 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -0.897 -3.856 -4.974 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -1.537 -0.053 -3.551 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -2.890 -1.124 -3.931 1.00 25.00 H new ATOM 1898 N SER A 114 -0.363 -2.784 -7.816 1.00 25.00 N ATOM 1899 CA SER A 114 0.637 -3.220 -8.815 1.00 25.00 C ATOM 1900 C SER A 114 0.026 -3.395 -10.216 1.00 25.00 C ATOM 1901 O SER A 114 -1.171 -3.568 -10.382 1.00 25.00 O ATOM 1902 CB SER A 114 1.361 -4.508 -8.352 1.00 25.00 C ATOM 1903 OG SER A 114 2.351 -4.952 -9.268 1.00 25.00 O ATOM 0 H SER A 114 -0.214 -1.828 -7.493 1.00 25.00 H new ATOM 0 HA SER A 114 1.378 -2.424 -8.893 1.00 25.00 H new ATOM 0 HB2 SER A 114 1.826 -4.327 -7.383 1.00 25.00 H new ATOM 0 HB3 SER A 114 0.625 -5.300 -8.210 1.00 25.00 H new ATOM 0 HG SER A 114 2.835 -4.179 -9.626 1.00 25.00 H new ATOM 1909 N GLN A 115 0.877 -3.321 -11.226 1.00 25.00 N ATOM 1910 CA GLN A 115 0.478 -3.500 -12.620 1.00 25.00 C ATOM 1911 C GLN A 115 1.261 -4.716 -13.106 1.00 25.00 C ATOM 1912 O GLN A 115 1.802 -4.740 -14.207 1.00 25.00 O ATOM 1913 CB GLN A 115 0.809 -2.236 -13.426 1.00 25.00 C ATOM 1914 CG GLN A 115 0.074 -2.127 -14.766 1.00 25.00 C ATOM 1915 CD GLN A 115 0.428 -0.857 -15.516 1.00 25.00 C ATOM 1916 OE1 GLN A 115 0.987 -0.896 -16.598 1.00 25.00 O ATOM 1917 NE2 GLN A 115 0.091 0.272 -14.947 1.00 25.00 N ATOM 0 H GLN A 115 1.872 -3.134 -11.105 1.00 25.00 H new ATOM 0 HA GLN A 115 -0.594 -3.659 -12.738 1.00 25.00 H new ATOM 0 HB2 GLN A 115 0.568 -1.361 -12.822 1.00 25.00 H new ATOM 0 HB3 GLN A 115 1.883 -2.209 -13.612 1.00 25.00 H new ATOM 0 HG2 GLN A 115 0.319 -2.991 -15.384 1.00 25.00 H new ATOM 0 HG3 GLN A 115 -1.002 -2.155 -14.591 1.00 25.00 H new ATOM 0 HE21 GLN A 115 -0.376 0.267 -14.040 1.00 25.00 H new ATOM 0 HE22 GLN A 115 0.295 1.157 -15.410 1.00 25.00 H new ATOM 1926 N THR A 116 1.384 -5.689 -12.205 1.00 25.00 N ATOM 1927 CA THR A 116 2.185 -6.881 -12.369 1.00 25.00 C ATOM 1928 C THR A 116 3.628 -6.603 -12.762 1.00 25.00 C ATOM 1929 O THR A 116 4.354 -7.438 -13.299 1.00 25.00 O ATOM 1930 CB THR A 116 1.513 -7.839 -13.270 1.00 25.00 C ATOM 1931 OG1 THR A 116 1.634 -7.433 -14.636 1.00 25.00 O ATOM 1932 CG2 THR A 116 0.038 -7.982 -12.922 1.00 25.00 C ATOM 0 H THR A 116 0.904 -5.658 -11.305 1.00 25.00 H new ATOM 0 HA THR A 116 2.264 -7.348 -11.387 1.00 25.00 H new ATOM 0 HB THR A 116 2.006 -8.802 -13.136 1.00 25.00 H new ATOM 0 HG1 THR A 116 1.850 -6.478 -14.675 1.00 25.00 H new ATOM 0 HG21 THR A 116 -0.429 -8.694 -13.603 1.00 25.00 H new ATOM 0 HG22 THR A 116 -0.061 -8.341 -11.898 1.00 25.00 H new ATOM 0 HG23 THR A 116 -0.454 -7.014 -13.016 1.00 25.00 H new ATOM 1940 N ASP A 117 4.033 -5.421 -12.355 1.00 25.00 N ATOM 1941 CA ASP A 117 5.387 -4.881 -12.502 1.00 25.00 C ATOM 1942 C ASP A 117 6.290 -5.450 -11.405 1.00 25.00 C ATOM 1943 O ASP A 117 6.961 -4.729 -10.670 1.00 25.00 O ATOM 1944 CB ASP A 117 5.355 -3.337 -12.443 1.00 25.00 C ATOM 1945 CG ASP A 117 4.784 -2.786 -11.119 1.00 25.00 C ATOM 1946 OD1 ASP A 117 3.649 -3.175 -10.731 1.00 25.00 O ATOM 1947 OD2 ASP A 117 5.415 -1.891 -10.521 1.00 25.00 O ATOM 0 H ASP A 117 3.403 -4.769 -11.887 1.00 25.00 H new ATOM 0 HA ASP A 117 5.789 -5.174 -13.472 1.00 25.00 H new ATOM 0 HB2 ASP A 117 6.366 -2.954 -12.581 1.00 25.00 H new ATOM 0 HB3 ASP A 117 4.756 -2.961 -13.273 1.00 25.00 H new ATOM 1952 N LEU A 118 6.264 -6.765 -11.277 1.00 25.00 N ATOM 1953 CA LEU A 118 7.012 -7.438 -10.230 1.00 25.00 C ATOM 1954 C LEU A 118 8.497 -7.287 -10.498 1.00 25.00 C ATOM 1955 O LEU A 118 8.992 -7.506 -11.603 1.00 25.00 O ATOM 1956 CB LEU A 118 6.638 -8.911 -10.140 1.00 25.00 C ATOM 1957 CG LEU A 118 5.132 -9.217 -10.015 1.00 25.00 C ATOM 1958 CD1 LEU A 118 4.919 -10.727 -9.983 1.00 25.00 C ATOM 1959 CD2 LEU A 118 4.516 -8.573 -8.764 1.00 25.00 C ATOM 0 H LEU A 118 5.733 -7.388 -11.885 1.00 25.00 H new ATOM 0 HA LEU A 118 6.763 -6.977 -9.274 1.00 25.00 H new ATOM 0 HB2 LEU A 118 7.020 -9.418 -11.026 1.00 25.00 H new ATOM 0 HB3 LEU A 118 7.150 -9.344 -9.280 1.00 25.00 H new ATOM 0 HG LEU A 118 4.630 -8.789 -10.883 1.00 25.00 H new ATOM 0 HD11 LEU A 118 3.854 -10.942 -9.895 1.00 25.00 H new ATOM 0 HD12 LEU A 118 5.303 -11.168 -10.903 1.00 25.00 H new ATOM 0 HD13 LEU A 118 5.447 -11.151 -9.129 1.00 25.00 H new ATOM 0 HD21 LEU A 118 3.454 -8.814 -8.716 1.00 25.00 H new ATOM 0 HD22 LEU A 118 5.016 -8.956 -7.874 1.00 25.00 H new ATOM 0 HD23 LEU A 118 4.640 -7.491 -8.813 1.00 25.00 H new ATOM 1971 N GLU A 119 9.189 -6.866 -9.464 1.00 25.00 N ATOM 1972 CA GLU A 119 10.580 -6.463 -9.566 1.00 25.00 C ATOM 1973 C GLU A 119 11.403 -7.070 -8.443 1.00 25.00 C ATOM 1974 O GLU A 119 10.858 -7.610 -7.483 1.00 25.00 O ATOM 1975 CB GLU A 119 10.654 -4.935 -9.510 1.00 25.00 C ATOM 1976 CG GLU A 119 10.924 -4.299 -10.866 1.00 25.00 C ATOM 1977 CD GLU A 119 12.410 -4.282 -11.190 1.00 25.00 C ATOM 1978 OE1 GLU A 119 13.117 -5.269 -10.855 1.00 25.00 O ATOM 1979 OE2 GLU A 119 12.916 -3.202 -11.572 1.00 25.00 O ATOM 0 H GLU A 119 8.804 -6.792 -8.522 1.00 25.00 H new ATOM 0 HA GLU A 119 10.991 -6.821 -10.510 1.00 25.00 H new ATOM 0 HB2 GLU A 119 9.716 -4.546 -9.114 1.00 25.00 H new ATOM 0 HB3 GLU A 119 11.440 -4.641 -8.815 1.00 25.00 H new ATOM 0 HG2 GLU A 119 10.389 -4.849 -11.640 1.00 25.00 H new ATOM 0 HG3 GLU A 119 10.537 -3.280 -10.874 1.00 25.00 H new ATOM 1986 N HIS A 120 12.721 -7.004 -8.567 1.00 25.00 N ATOM 1987 CA HIS A 120 13.616 -7.588 -7.563 1.00 25.00 C ATOM 1988 C HIS A 120 14.866 -6.733 -7.396 1.00 25.00 C ATOM 1989 O HIS A 120 15.735 -6.699 -8.263 1.00 25.00 O ATOM 1990 CB HIS A 120 13.991 -9.026 -7.953 1.00 25.00 C ATOM 1991 CG HIS A 120 14.013 -9.266 -9.433 1.00 25.00 C ATOM 1992 ND1 HIS A 120 12.898 -9.685 -10.168 1.00 25.00 N ATOM 1993 CD2 HIS A 120 15.006 -9.146 -10.355 1.00 25.00 C ATOM 1994 CE1 HIS A 120 13.242 -9.791 -11.445 1.00 25.00 C ATOM 1995 NE2 HIS A 120 14.504 -9.473 -11.577 1.00 25.00 N ATOM 0 H HIS A 120 13.199 -6.555 -9.348 1.00 25.00 H new ATOM 0 HA HIS A 120 13.092 -7.615 -6.607 1.00 25.00 H new ATOM 0 HB2 HIS A 120 14.973 -9.260 -7.542 1.00 25.00 H new ATOM 0 HB3 HIS A 120 13.281 -9.714 -7.493 1.00 25.00 H new ATOM 0 HD2 HIS A 120 16.022 -8.842 -10.151 1.00 25.00 H new ATOM 0 HE1 HIS A 120 12.585 -10.092 -12.248 1.00 25.00 H new ATOM 0 HE2 HIS A 120 15.027 -9.471 -12.453 1.00 25.00 H new ATOM 2003 N HIS A 121 14.947 -6.025 -6.277 1.00 25.00 N ATOM 2004 CA HIS A 121 16.047 -5.087 -6.030 1.00 25.00 C ATOM 2005 C HIS A 121 16.834 -5.444 -4.777 1.00 25.00 C ATOM 2006 O HIS A 121 16.277 -5.962 -3.825 1.00 25.00 O ATOM 2007 CB HIS A 121 15.479 -3.672 -5.867 1.00 25.00 C ATOM 2008 CG HIS A 121 14.694 -3.199 -7.052 1.00 25.00 C ATOM 2009 ND1 HIS A 121 13.527 -2.431 -6.952 1.00 25.00 N ATOM 2010 CD2 HIS A 121 14.875 -3.374 -8.389 1.00 25.00 C ATOM 2011 CE1 HIS A 121 13.078 -2.181 -8.176 1.00 25.00 C ATOM 2012 NE2 HIS A 121 13.875 -2.735 -9.046 1.00 25.00 N ATOM 0 H HIS A 121 14.265 -6.079 -5.521 1.00 25.00 H new ATOM 0 HA HIS A 121 16.723 -5.142 -6.883 1.00 25.00 H new ATOM 0 HB2 HIS A 121 14.840 -3.646 -4.985 1.00 25.00 H new ATOM 0 HB3 HIS A 121 16.300 -2.979 -5.686 1.00 25.00 H new ATOM 0 HD2 HIS A 121 15.679 -3.928 -8.850 1.00 25.00 H new ATOM 0 HE1 HIS A 121 12.193 -1.609 -8.413 1.00 25.00 H new ATOM 0 HE2 HIS A 121 13.764 -2.694 -10.059 1.00 25.00 H new ATOM 2020 N HIS A 122 18.122 -5.110 -4.783 1.00 25.00 N ATOM 2021 CA HIS A 122 19.006 -5.238 -3.604 1.00 25.00 C ATOM 2022 C HIS A 122 18.954 -6.604 -2.884 1.00 25.00 C ATOM 2023 O HIS A 122 19.009 -6.654 -1.658 1.00 25.00 O ATOM 2024 CB HIS A 122 18.665 -4.139 -2.577 1.00 25.00 C ATOM 2025 CG HIS A 122 18.575 -2.760 -3.155 1.00 25.00 C ATOM 2026 ND1 HIS A 122 19.666 -2.060 -3.687 1.00 25.00 N ATOM 2027 CD2 HIS A 122 17.527 -1.896 -3.268 1.00 25.00 C ATOM 2028 CE1 HIS A 122 19.251 -0.862 -4.088 1.00 25.00 C ATOM 2029 NE2 HIS A 122 17.971 -0.748 -3.846 1.00 25.00 N ATOM 0 H HIS A 122 18.595 -4.739 -5.607 1.00 25.00 H new ATOM 0 HA HIS A 122 20.016 -5.137 -4.001 1.00 25.00 H new ATOM 0 HB2 HIS A 122 17.715 -4.384 -2.103 1.00 25.00 H new ATOM 0 HB3 HIS A 122 19.423 -4.143 -1.793 1.00 25.00 H new ATOM 0 HD2 HIS A 122 16.513 -2.091 -2.951 1.00 25.00 H new ATOM 0 HE1 HIS A 122 19.872 -0.104 -4.541 1.00 25.00 H new ATOM 0 HE2 HIS A 122 17.398 0.069 -4.057 1.00 25.00 H new ATOM 2037 N HIS A 123 18.861 -7.692 -3.639 1.00 25.00 N ATOM 2038 CA HIS A 123 18.767 -9.044 -3.065 1.00 25.00 C ATOM 2039 C HIS A 123 19.901 -9.886 -3.648 1.00 25.00 C ATOM 2040 O HIS A 123 20.322 -9.633 -4.776 1.00 25.00 O ATOM 2041 CB HIS A 123 17.393 -9.643 -3.422 1.00 25.00 C ATOM 2042 CG HIS A 123 16.940 -10.734 -2.496 1.00 25.00 C ATOM 2043 ND1 HIS A 123 16.419 -10.694 -1.238 1.00 25.00 N flip ATOM 2044 CD2 HIS A 123 16.970 -12.096 -2.821 1.00 25.00 C flip ATOM 2045 CE1 HIS A 123 16.162 -11.967 -0.835 1.00 25.00 C flip ATOM 2046 NE2 HIS A 123 16.488 -12.788 -1.795 1.00 25.00 N flip ATOM 0 H HIS A 123 18.848 -7.671 -4.659 1.00 25.00 H new ATOM 0 HA HIS A 123 18.860 -9.021 -1.979 1.00 25.00 H new ATOM 0 HB2 HIS A 123 16.649 -8.846 -3.418 1.00 25.00 H new ATOM 0 HB3 HIS A 123 17.433 -10.037 -4.438 1.00 25.00 H new ATOM 0 HD2 HIS A 123 17.326 -12.514 -3.751 1.00 25.00 H new ATOM 0 HE1 HIS A 123 15.754 -12.252 0.124 1.00 25.00 H new ATOM 0 HE2 HIS A 123 16.388 -13.803 -1.763 1.00 25.00 H new ATOM 2054 N HIS A 124 20.382 -10.875 -2.908 1.00 25.00 N ATOM 2055 CA HIS A 124 21.398 -11.815 -3.412 1.00 25.00 C ATOM 2056 C HIS A 124 20.982 -13.171 -2.878 1.00 25.00 C ATOM 2057 O HIS A 124 20.267 -13.895 -3.558 1.00 25.00 O ATOM 2058 CB HIS A 124 22.817 -11.448 -2.951 1.00 25.00 C ATOM 2059 CG HIS A 124 23.457 -10.371 -3.774 1.00 25.00 C ATOM 2060 ND1 HIS A 124 23.723 -10.499 -5.141 1.00 25.00 N ATOM 2061 CD2 HIS A 124 23.915 -9.132 -3.448 1.00 25.00 C ATOM 2062 CE1 HIS A 124 24.308 -9.386 -5.569 1.00 25.00 C ATOM 2063 NE2 HIS A 124 24.433 -8.555 -4.568 1.00 25.00 N ATOM 0 H HIS A 124 20.088 -11.056 -1.948 1.00 25.00 H new ATOM 0 HA HIS A 124 21.443 -11.796 -4.501 1.00 25.00 H new ATOM 0 HB2 HIS A 124 22.779 -11.125 -1.911 1.00 25.00 H new ATOM 0 HB3 HIS A 124 23.443 -12.340 -2.985 1.00 25.00 H new ATOM 0 HD2 HIS A 124 23.875 -8.682 -2.467 1.00 25.00 H new ATOM 0 HE1 HIS A 124 24.629 -9.198 -6.583 1.00 25.00 H new ATOM 0 HE2 HIS A 124 24.850 -7.626 -4.617 1.00 25.00 H new ATOM 2071 N HIS A 125 21.280 -13.427 -1.610 1.00 25.00 N ATOM 2072 CA HIS A 125 20.582 -14.482 -0.894 1.00 25.00 C ATOM 2073 C HIS A 125 19.266 -13.805 -0.567 1.00 25.00 C ATOM 2074 O HIS A 125 18.296 -14.479 -0.189 1.00 25.00 O ATOM 2075 CB HIS A 125 21.305 -14.928 0.391 1.00 25.00 C ATOM 2076 CG HIS A 125 21.116 -13.997 1.554 1.00 25.00 C ATOM 2077 ND1 HIS A 125 19.935 -13.930 2.303 1.00 25.00 N ATOM 2078 CD2 HIS A 125 21.944 -13.091 2.143 1.00 25.00 C ATOM 2079 CE1 HIS A 125 20.084 -13.029 3.258 1.00 25.00 C ATOM 2080 NE2 HIS A 125 21.279 -12.514 3.182 1.00 25.00 N ATOM 2081 OXT HIS A 125 19.252 -12.547 -0.694 1.00 25.00 O ATOM 0 H HIS A 125 21.986 -12.929 -1.067 1.00 25.00 H new ATOM 0 HA HIS A 125 20.497 -15.401 -1.474 1.00 25.00 H new ATOM 0 HB2 HIS A 125 20.948 -15.919 0.671 1.00 25.00 H new ATOM 0 HB3 HIS A 125 22.371 -15.020 0.182 1.00 25.00 H new ATOM 0 HD1 HIS A 125 19.096 -14.486 2.138 1.00 25.00 H new ATOM 0 HD2 HIS A 125 22.956 -12.868 1.838 1.00 25.00 H new ATOM 0 HE1 HIS A 125 19.334 -12.761 3.987 1.00 25.00 H new TER 2089 HIS A 125