USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 TYR OH : rot 50:sc= 0.0592 USER MOD Set 1.2: A 106 THR OG1 : rot 64:sc= 1.32 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.35 K(o=2.4,f=-2.1) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 173:sc= 1.05 (180deg=0) USER MOD Set 3.1: A 66 TYR OH : rot 83:sc= 1.26 USER MOD Set 3.2: A 74 LYS NZ :NH3+ -146:sc= 0.914 (180deg=0.409) USER MOD Set 4.1: A 42 CYS SG : rot -26:sc= 0.228 USER MOD Set 4.2: A 62 CYS SG : rot -133:sc= 0.591 USER MOD Single : A 3 GLN : amide:sc= -0.0955 X(o=-0.096,f=0) USER MOD Single : A 6 SER OG : rot -5:sc= 1 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.052 K(o=-0.052,f=-1.8!) USER MOD Single : A 14 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.36) USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= -0.0379 (180deg=-1.22) USER MOD Single : A 17 GLN : amide:sc=-0.00106 X(o=-0.0011,f=-0.029) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0878 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+ -156:sc= 0.0723 (180deg=0.00401) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -177:sc= 0.105 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 50 THR OG1 : rot 68:sc= 0.382 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.2!) USER MOD Single : A 69 THR OG1 : rot 63:sc= 0.162 USER MOD Single : A 78 THR OG1 : rot -101:sc= 0.0367 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -155:sc= 0.951 (180deg=0.601) USER MOD Single : A 93 LYS NZ :NH3+ -125:sc= 1.46 (180deg=-0.352) USER MOD Single : A 96 ASN : amide:sc= -0.282 K(o=-0.28,f=-6!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 100 MET CE :methyl 166:sc=-0.00996 (180deg=-0.21) USER MOD Single : A 105 GLN : amide:sc=-0.00646 K(o=-0.0065,f=-1.5) USER MOD Single : A 111 LYS NZ :NH3+ 166:sc= 0.852 (180deg=0.711) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.153 0.918 2.167 1.00 25.00 N ATOM 44 CA GLY A 2 0.667 1.695 3.301 1.00 25.00 C ATOM 45 C GLY A 2 0.158 3.063 2.905 1.00 25.00 C ATOM 46 O GLY A 2 -0.897 3.494 3.368 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.134 1.145 3.795 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.471 1.809 4.028 1.00 25.00 H new ATOM 50 N GLN A 3 0.878 3.746 2.029 1.00 25.00 N ATOM 51 CA GLN A 3 0.443 5.068 1.579 1.00 25.00 C ATOM 52 C GLN A 3 -0.816 4.921 0.718 1.00 25.00 C ATOM 53 O GLN A 3 -1.762 5.688 0.848 1.00 25.00 O ATOM 54 CB GLN A 3 1.582 5.787 0.836 1.00 25.00 C ATOM 55 CG GLN A 3 2.036 5.137 -0.471 1.00 25.00 C ATOM 56 CD GLN A 3 3.418 5.587 -0.867 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.633 6.727 -1.221 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.367 4.703 -0.774 1.00 25.00 N ATOM 0 H GLN A 3 1.752 3.418 1.619 1.00 25.00 H new ATOM 0 HA GLN A 3 0.191 5.689 2.439 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.264 6.807 0.621 1.00 25.00 H new ATOM 0 HB3 GLN A 3 2.441 5.855 1.504 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.024 4.053 -0.361 1.00 25.00 H new ATOM 0 HG3 GLN A 3 1.331 5.385 -1.265 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.151 3.753 -0.473 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.327 4.960 -1.002 1.00 25.00 H new ATOM 67 N GLU A 4 -0.854 3.863 -0.078 1.00 25.00 N ATOM 68 CA GLU A 4 -1.994 3.547 -0.936 1.00 25.00 C ATOM 69 C GLU A 4 -3.241 3.285 -0.075 1.00 25.00 C ATOM 70 O GLU A 4 -4.354 3.712 -0.400 1.00 25.00 O ATOM 71 CB GLU A 4 -1.594 2.337 -1.812 1.00 25.00 C ATOM 72 CG GLU A 4 -2.641 1.237 -2.044 1.00 25.00 C ATOM 73 CD GLU A 4 -3.644 1.605 -3.111 1.00 25.00 C ATOM 74 OE1 GLU A 4 -3.787 2.808 -3.408 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.312 0.692 -3.640 1.00 25.00 O ATOM 0 H GLU A 4 -0.089 3.192 -0.150 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.251 4.379 -1.592 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.288 2.717 -2.787 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.717 1.873 -1.360 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.136 0.314 -2.328 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.166 1.038 -1.110 1.00 25.00 H new ATOM 82 N LEU A 5 -3.042 2.643 1.065 1.00 25.00 N ATOM 83 CA LEU A 5 -4.135 2.373 1.991 1.00 25.00 C ATOM 84 C LEU A 5 -4.637 3.659 2.646 1.00 25.00 C ATOM 85 O LEU A 5 -5.841 3.866 2.748 1.00 25.00 O ATOM 86 CB LEU A 5 -3.678 1.369 3.050 1.00 25.00 C ATOM 87 CG LEU A 5 -3.530 -0.081 2.554 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.788 -0.905 3.604 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.885 -0.724 2.246 1.00 25.00 C ATOM 0 H LEU A 5 -2.133 2.298 1.373 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.966 1.946 1.430 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.720 1.699 3.452 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.391 1.384 3.874 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.961 -0.061 1.625 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.683 -1.932 3.253 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.800 -0.476 3.772 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.351 -0.896 4.538 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.732 -1.746 1.899 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.496 -0.734 3.148 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.392 -0.150 1.471 1.00 25.00 H new ATOM 101 N SER A 6 -3.737 4.553 3.039 1.00 25.00 N ATOM 102 CA SER A 6 -4.152 5.853 3.580 1.00 25.00 C ATOM 103 C SER A 6 -4.749 6.793 2.524 1.00 25.00 C ATOM 104 O SER A 6 -5.341 7.809 2.873 1.00 25.00 O ATOM 105 CB SER A 6 -2.982 6.559 4.268 1.00 25.00 C ATOM 106 OG SER A 6 -1.876 6.750 3.404 1.00 25.00 O ATOM 0 H SER A 6 -2.728 4.410 2.997 1.00 25.00 H new ATOM 0 HA SER A 6 -4.936 5.629 4.303 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.316 7.526 4.643 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.667 5.974 5.132 1.00 25.00 H new ATOM 0 HG SER A 6 -2.055 6.317 2.543 1.00 25.00 H new ATOM 112 N GLN A 7 -4.603 6.456 1.248 1.00 25.00 N ATOM 113 CA GLN A 7 -5.148 7.275 0.162 1.00 25.00 C ATOM 114 C GLN A 7 -6.548 6.771 -0.175 1.00 25.00 C ATOM 115 O GLN A 7 -7.402 7.517 -0.645 1.00 25.00 O ATOM 116 CB GLN A 7 -4.226 7.205 -1.065 1.00 25.00 C ATOM 117 CG GLN A 7 -3.019 8.150 -0.949 1.00 25.00 C ATOM 118 CD GLN A 7 -1.777 7.660 -1.684 1.00 25.00 C ATOM 119 OE1 GLN A 7 -0.685 7.683 -1.137 1.00 25.00 O ATOM 120 NE2 GLN A 7 -1.931 7.246 -2.915 1.00 25.00 N ATOM 0 H GLN A 7 -4.111 5.619 0.935 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.209 8.318 0.473 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -3.872 6.182 -1.191 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.796 7.457 -1.959 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.298 9.129 -1.340 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -2.776 8.285 0.105 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -2.859 7.241 -3.339 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.123 6.928 -3.451 1.00 25.00 H new ATOM 129 N HIS A 8 -6.796 5.509 0.136 1.00 25.00 N ATOM 130 CA HIS A 8 -8.114 4.914 -0.048 1.00 25.00 C ATOM 131 C HIS A 8 -8.998 5.234 1.153 1.00 25.00 C ATOM 132 O HIS A 8 -9.055 4.486 2.123 1.00 25.00 O ATOM 133 CB HIS A 8 -7.974 3.409 -0.250 1.00 25.00 C ATOM 134 CG HIS A 8 -7.785 3.027 -1.684 1.00 25.00 C ATOM 135 ND1 HIS A 8 -6.538 2.956 -2.308 1.00 25.00 N ATOM 136 CD2 HIS A 8 -8.675 2.711 -2.664 1.00 25.00 C ATOM 137 CE1 HIS A 8 -6.714 2.613 -3.576 1.00 25.00 C ATOM 138 NE2 HIS A 8 -7.987 2.470 -3.810 1.00 25.00 N ATOM 0 H HIS A 8 -6.098 4.872 0.520 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.587 5.333 -0.936 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.126 3.047 0.331 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -8.863 2.912 0.139 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -5.639 3.138 -1.861 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -9.748 2.660 -2.550 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -5.926 2.474 -4.301 1.00 25.00 H new ATOM 146 N GLU A 9 -9.686 6.363 1.074 1.00 25.00 N ATOM 147 CA GLU A 9 -10.510 6.882 2.174 1.00 25.00 C ATOM 148 C GLU A 9 -11.455 5.882 2.858 1.00 25.00 C ATOM 149 O GLU A 9 -11.598 5.913 4.072 1.00 25.00 O ATOM 150 CB GLU A 9 -11.328 8.080 1.676 1.00 25.00 C ATOM 151 CG GLU A 9 -12.066 7.826 0.357 1.00 25.00 C ATOM 152 CD GLU A 9 -13.025 8.947 0.003 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.736 10.115 0.333 1.00 25.00 O ATOM 154 OE2 GLU A 9 -14.077 8.646 -0.598 1.00 25.00 O ATOM 0 H GLU A 9 -9.693 6.954 0.243 1.00 25.00 H new ATOM 0 HA GLU A 9 -9.789 7.156 2.945 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.055 8.353 2.441 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -10.662 8.934 1.549 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -11.338 7.708 -0.446 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -12.618 6.889 0.428 1.00 25.00 H new ATOM 161 N ARG A 10 -12.076 4.980 2.110 1.00 25.00 N ATOM 162 CA ARG A 10 -13.016 4.019 2.707 1.00 25.00 C ATOM 163 C ARG A 10 -12.326 3.028 3.644 1.00 25.00 C ATOM 164 O ARG A 10 -12.912 2.563 4.611 1.00 25.00 O ATOM 165 CB ARG A 10 -13.772 3.271 1.610 1.00 25.00 C ATOM 166 CG ARG A 10 -14.568 4.208 0.692 1.00 25.00 C ATOM 167 CD ARG A 10 -15.493 3.433 -0.230 1.00 25.00 C ATOM 168 NE ARG A 10 -16.621 2.845 0.512 1.00 25.00 N ATOM 169 CZ ARG A 10 -17.526 2.015 0.004 1.00 25.00 C ATOM 170 NH1 ARG A 10 -17.490 1.619 -1.246 1.00 25.00 N ATOM 171 NH2 ARG A 10 -18.483 1.575 0.770 1.00 25.00 N ATOM 0 H ARG A 10 -11.954 4.887 1.102 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.720 4.592 3.311 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.063 2.699 1.011 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.453 2.554 2.068 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.153 4.901 1.297 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -13.879 4.808 0.097 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.873 4.095 -1.008 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -14.933 2.643 -0.730 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.715 3.095 1.496 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -16.749 1.949 -1.864 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -18.203 0.981 -1.600 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -18.531 1.868 1.746 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -19.185 0.937 0.394 1.00 25.00 H new ATOM 185 N TYR A 11 -11.058 2.747 3.390 1.00 25.00 N ATOM 186 CA TYR A 11 -10.278 1.890 4.281 1.00 25.00 C ATOM 187 C TYR A 11 -9.893 2.683 5.515 1.00 25.00 C ATOM 188 O TYR A 11 -9.913 2.179 6.642 1.00 25.00 O ATOM 189 CB TYR A 11 -9.013 1.423 3.581 1.00 25.00 C ATOM 190 CG TYR A 11 -8.085 0.659 4.487 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.431 -0.615 4.965 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.853 1.210 4.883 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.560 -1.332 5.812 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.973 0.486 5.728 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.336 -0.780 6.179 1.00 25.00 C ATOM 196 OH TYR A 11 -5.480 -1.475 6.992 1.00 25.00 O ATOM 0 H TYR A 11 -10.545 3.096 2.580 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.876 1.022 4.559 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.285 0.793 2.734 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.487 2.289 3.178 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.377 -1.052 4.680 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.574 2.195 4.540 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.843 -2.309 6.176 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.026 0.915 6.020 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.361 -2.383 6.642 1.00 25.00 H new ATOM 206 N VAL A 12 -9.575 3.951 5.297 1.00 25.00 N ATOM 207 CA VAL A 12 -9.222 4.854 6.383 1.00 25.00 C ATOM 208 C VAL A 12 -10.388 4.907 7.366 1.00 25.00 C ATOM 209 O VAL A 12 -10.164 4.942 8.558 1.00 25.00 O ATOM 210 CB VAL A 12 -8.863 6.285 5.845 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.509 7.254 6.982 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.678 6.201 4.882 1.00 25.00 C ATOM 0 H VAL A 12 -9.554 4.380 4.372 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.332 4.482 6.891 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.745 6.665 5.330 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.267 8.232 6.565 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.359 7.348 7.658 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.649 6.871 7.532 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.437 7.198 4.514 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.814 5.787 5.403 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.937 5.557 4.041 1.00 25.00 H new ATOM 222 N GLU A 13 -11.626 4.849 6.889 1.00 25.00 N ATOM 223 CA GLU A 13 -12.791 4.860 7.786 1.00 25.00 C ATOM 224 C GLU A 13 -12.760 3.750 8.837 1.00 25.00 C ATOM 225 O GLU A 13 -12.947 4.017 10.028 1.00 25.00 O ATOM 226 CB GLU A 13 -14.095 4.772 6.994 1.00 25.00 C ATOM 227 CG GLU A 13 -14.360 6.000 6.153 1.00 25.00 C ATOM 228 CD GLU A 13 -15.710 5.958 5.473 1.00 25.00 C ATOM 229 OE1 GLU A 13 -15.928 5.099 4.589 1.00 25.00 O ATOM 230 OE2 GLU A 13 -16.553 6.806 5.827 1.00 25.00 O ATOM 0 H GLU A 13 -11.855 4.794 5.897 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.742 5.811 8.316 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -14.062 3.896 6.347 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.925 4.626 7.686 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.302 6.887 6.784 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -13.580 6.094 5.398 1.00 25.00 H new ATOM 237 N GLN A 14 -12.475 2.524 8.430 1.00 25.00 N ATOM 238 CA GLN A 14 -12.396 1.423 9.388 1.00 25.00 C ATOM 239 C GLN A 14 -11.130 1.546 10.223 1.00 25.00 C ATOM 240 O GLN A 14 -11.137 1.315 11.434 1.00 25.00 O ATOM 241 CB GLN A 14 -12.414 0.071 8.666 1.00 25.00 C ATOM 242 CG GLN A 14 -13.730 -0.223 7.947 1.00 25.00 C ATOM 243 CD GLN A 14 -14.923 -0.228 8.885 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.538 0.797 9.132 1.00 25.00 O ATOM 245 NE2 GLN A 14 -15.246 -1.377 9.415 1.00 25.00 N ATOM 0 H GLN A 14 -12.296 2.264 7.460 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.265 1.477 10.043 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.600 0.045 7.941 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -12.221 -0.720 9.390 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.888 0.524 7.169 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.659 -1.191 7.451 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -14.709 -2.213 9.186 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -16.035 -1.438 10.058 1.00 25.00 H new ATOM 254 N LEU A 15 -10.037 1.943 9.594 1.00 25.00 N ATOM 255 CA LEU A 15 -8.774 2.064 10.307 1.00 25.00 C ATOM 256 C LEU A 15 -8.781 3.201 11.342 1.00 25.00 C ATOM 257 O LEU A 15 -8.041 3.143 12.321 1.00 25.00 O ATOM 258 CB LEU A 15 -7.614 2.215 9.320 1.00 25.00 C ATOM 259 CG LEU A 15 -6.282 1.663 9.859 1.00 25.00 C ATOM 260 CD1 LEU A 15 -6.302 0.131 9.979 1.00 25.00 C ATOM 261 CD2 LEU A 15 -5.132 2.093 8.968 1.00 25.00 C ATOM 0 H LEU A 15 -9.996 2.185 8.604 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.634 1.142 10.871 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.865 1.699 8.393 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.490 3.270 9.074 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.142 2.076 10.858 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -5.343 -0.216 10.363 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -7.097 -0.170 10.662 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -6.481 -0.309 8.998 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -4.197 1.695 9.363 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.291 1.712 7.959 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -5.080 3.181 8.941 1.00 25.00 H new ATOM 273 N LYS A 16 -9.646 4.203 11.168 1.00 25.00 N ATOM 274 CA LYS A 16 -9.805 5.279 12.169 1.00 25.00 C ATOM 275 C LYS A 16 -10.176 4.630 13.482 1.00 25.00 C ATOM 276 O LYS A 16 -9.660 4.984 14.541 1.00 25.00 O ATOM 277 CB LYS A 16 -10.950 6.247 11.806 1.00 25.00 C ATOM 278 CG LYS A 16 -10.665 7.276 10.706 1.00 25.00 C ATOM 279 CD LYS A 16 -11.997 7.815 10.136 1.00 25.00 C ATOM 280 CE LYS A 16 -11.821 8.482 8.763 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.150 8.870 8.135 1.00 25.00 N ATOM 0 H LYS A 16 -10.248 4.298 10.350 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.872 5.841 12.215 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.812 5.654 11.501 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.238 6.786 12.709 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.072 8.097 11.108 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.077 6.818 9.910 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.710 6.995 10.050 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.423 8.535 10.835 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.199 9.371 8.870 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.292 7.801 8.096 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.070 8.829 7.099 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.889 8.210 8.451 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.402 9.837 8.425 1.00 25.00 H new ATOM 295 N GLN A 17 -11.091 3.677 13.399 1.00 25.00 N ATOM 296 CA GLN A 17 -11.586 2.996 14.579 1.00 25.00 C ATOM 297 C GLN A 17 -10.490 2.123 15.159 1.00 25.00 C ATOM 298 O GLN A 17 -10.258 2.135 16.353 1.00 25.00 O ATOM 299 CB GLN A 17 -12.798 2.128 14.230 1.00 25.00 C ATOM 300 CG GLN A 17 -13.923 2.885 13.534 1.00 25.00 C ATOM 301 CD GLN A 17 -15.092 1.986 13.221 1.00 25.00 C ATOM 302 OE1 GLN A 17 -15.617 1.322 14.096 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.492 1.949 11.981 1.00 25.00 N ATOM 0 H GLN A 17 -11.505 3.359 12.523 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.889 3.744 15.312 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.473 1.310 13.588 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -13.187 1.680 15.145 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.256 3.706 14.169 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.547 3.327 12.611 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.025 2.521 11.277 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.272 1.348 11.714 1.00 25.00 H new ATOM 312 N ALA A 18 -9.806 1.370 14.315 1.00 25.00 N ATOM 313 CA ALA A 18 -8.781 0.452 14.797 1.00 25.00 C ATOM 314 C ALA A 18 -7.585 1.171 15.465 1.00 25.00 C ATOM 315 O ALA A 18 -7.123 0.742 16.522 1.00 25.00 O ATOM 316 CB ALA A 18 -8.320 -0.444 13.657 1.00 25.00 C ATOM 0 H ALA A 18 -9.937 1.373 13.303 1.00 25.00 H new ATOM 0 HA ALA A 18 -9.231 -0.158 15.580 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.554 -1.129 14.020 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.167 -1.015 13.278 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.908 0.170 12.856 1.00 25.00 H new ATOM 322 N LEU A 19 -7.114 2.277 14.894 1.00 25.00 N ATOM 323 CA LEU A 19 -6.021 3.041 15.522 1.00 25.00 C ATOM 324 C LEU A 19 -6.489 3.566 16.885 1.00 25.00 C ATOM 325 O LEU A 19 -5.746 3.541 17.866 1.00 25.00 O ATOM 326 CB LEU A 19 -5.572 4.237 14.647 1.00 25.00 C ATOM 327 CG LEU A 19 -4.238 4.077 13.878 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.435 3.424 12.519 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.535 5.429 13.663 1.00 25.00 C ATOM 0 H LEU A 19 -7.458 2.664 14.016 1.00 25.00 H new ATOM 0 HA LEU A 19 -5.170 2.370 15.637 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.360 4.442 13.922 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.492 5.115 15.287 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.617 3.435 14.502 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.472 3.333 12.016 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.871 2.434 12.651 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.103 4.037 11.914 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.603 5.272 13.120 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.184 6.089 13.087 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.319 5.885 14.629 1.00 25.00 H new ATOM 341 N LYS A 20 -7.729 4.040 16.939 1.00 25.00 N ATOM 342 CA LYS A 20 -8.284 4.617 18.169 1.00 25.00 C ATOM 343 C LYS A 20 -8.549 3.579 19.257 1.00 25.00 C ATOM 344 O LYS A 20 -8.262 3.824 20.420 1.00 25.00 O ATOM 345 CB LYS A 20 -9.592 5.351 17.840 1.00 25.00 C ATOM 346 CG LYS A 20 -10.199 6.122 19.012 1.00 25.00 C ATOM 347 CD LYS A 20 -11.553 6.715 18.632 1.00 25.00 C ATOM 348 CE LYS A 20 -12.161 7.482 19.806 1.00 25.00 C ATOM 349 NZ LYS A 20 -13.541 7.999 19.486 1.00 25.00 N ATOM 0 H LYS A 20 -8.373 4.038 16.148 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.536 5.305 18.562 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.407 6.046 17.021 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -10.322 4.624 17.483 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -10.316 5.457 19.868 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -9.521 6.919 19.318 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.436 7.382 17.778 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -12.230 5.918 18.323 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -12.211 6.830 20.678 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -11.512 8.318 20.069 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -13.918 8.513 20.308 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -13.491 8.641 18.669 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -14.167 7.200 19.260 1.00 25.00 H new ATOM 363 N THR A 21 -9.108 2.436 18.888 1.00 25.00 N ATOM 364 CA THR A 21 -9.485 1.406 19.866 1.00 25.00 C ATOM 365 C THR A 21 -8.277 0.797 20.557 1.00 25.00 C ATOM 366 O THR A 21 -8.373 0.359 21.695 1.00 25.00 O ATOM 367 CB THR A 21 -10.270 0.248 19.210 1.00 25.00 C ATOM 368 OG1 THR A 21 -9.595 -0.176 18.026 1.00 25.00 O ATOM 369 CG2 THR A 21 -11.671 0.675 18.813 1.00 25.00 C ATOM 0 H THR A 21 -9.314 2.191 17.920 1.00 25.00 H new ATOM 0 HA THR A 21 -10.109 1.922 20.595 1.00 25.00 H new ATOM 0 HB THR A 21 -10.333 -0.557 19.942 1.00 25.00 H new ATOM 0 HG1 THR A 21 -10.093 -0.911 17.611 1.00 25.00 H new ATOM 0 HG21 THR A 21 -12.192 -0.166 18.355 1.00 25.00 H new ATOM 0 HG22 THR A 21 -12.217 1.001 19.698 1.00 25.00 H new ATOM 0 HG23 THR A 21 -11.612 1.497 18.100 1.00 25.00 H new ATOM 377 N ARG A 22 -7.130 0.795 19.892 1.00 25.00 N ATOM 378 CA ARG A 22 -5.913 0.270 20.511 1.00 25.00 C ATOM 379 C ARG A 22 -5.419 1.213 21.612 1.00 25.00 C ATOM 380 O ARG A 22 -4.681 0.801 22.504 1.00 25.00 O ATOM 381 CB ARG A 22 -4.830 0.044 19.444 1.00 25.00 C ATOM 382 CG ARG A 22 -3.576 -0.698 19.951 1.00 25.00 C ATOM 383 CD ARG A 22 -3.925 -2.125 20.384 1.00 25.00 C ATOM 384 NE ARG A 22 -2.803 -2.852 21.003 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.404 -2.733 22.266 1.00 25.00 C ATOM 386 NH1 ARG A 22 -2.936 -1.873 23.105 1.00 25.00 N ATOM 387 NH2 ARG A 22 -1.446 -3.506 22.685 1.00 25.00 N ATOM 0 H ARG A 22 -7.013 1.144 18.941 1.00 25.00 H new ATOM 0 HA ARG A 22 -6.140 -0.691 20.974 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -5.263 -0.522 18.619 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -4.527 1.011 19.042 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.822 -0.726 19.164 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -3.141 -0.155 20.790 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -4.754 -2.087 21.090 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -4.272 -2.684 19.515 1.00 25.00 H new ATOM 0 HE ARG A 22 -2.287 -3.503 20.411 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -3.690 -1.259 22.796 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -2.595 -1.819 24.065 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -1.021 -4.182 22.050 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -1.119 -3.437 23.649 1.00 25.00 H new ATOM 401 N GLY A 23 -5.839 2.469 21.547 1.00 25.00 N ATOM 402 CA GLY A 23 -5.477 3.446 22.563 1.00 25.00 C ATOM 403 C GLY A 23 -4.039 3.910 22.452 1.00 25.00 C ATOM 404 O GLY A 23 -3.498 4.511 23.377 1.00 25.00 O ATOM 0 H GLY A 23 -6.431 2.835 20.801 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -6.139 4.308 22.482 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -5.638 3.012 23.550 1.00 25.00 H new ATOM 408 N VAL A 24 -3.406 3.625 21.324 1.00 25.00 N ATOM 409 CA VAL A 24 -1.997 3.966 21.140 1.00 25.00 C ATOM 410 C VAL A 24 -1.912 5.280 20.358 1.00 25.00 C ATOM 411 O VAL A 24 -2.489 5.436 19.281 1.00 25.00 O ATOM 412 CB VAL A 24 -1.202 2.773 20.495 1.00 25.00 C ATOM 413 CG1 VAL A 24 -1.714 2.420 19.087 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.296 3.072 20.467 1.00 25.00 C ATOM 0 H VAL A 24 -3.839 3.162 20.525 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.510 4.128 22.101 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.373 1.900 21.124 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -1.132 1.590 18.686 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -2.764 2.133 19.143 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -1.609 3.286 18.434 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.826 2.233 20.017 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.476 3.972 19.880 1.00 25.00 H new ATOM 0 HG23 VAL A 24 0.656 3.224 21.485 1.00 25.00 H new ATOM 424 N LYS A 25 -1.266 6.270 20.961 1.00 25.00 N ATOM 425 CA LYS A 25 -1.237 7.619 20.391 1.00 25.00 C ATOM 426 C LYS A 25 -0.171 7.747 19.302 1.00 25.00 C ATOM 427 O LYS A 25 0.936 8.226 19.542 1.00 25.00 O ATOM 428 CB LYS A 25 -1.012 8.638 21.517 1.00 25.00 C ATOM 429 CG LYS A 25 -1.290 10.088 21.126 1.00 25.00 C ATOM 430 CD LYS A 25 -1.118 11.003 22.337 1.00 25.00 C ATOM 431 CE LYS A 25 -1.490 12.446 22.009 1.00 25.00 C ATOM 432 NZ LYS A 25 -1.354 13.330 23.226 1.00 25.00 N ATOM 0 H LYS A 25 -0.757 6.170 21.839 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.196 7.821 19.913 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -1.650 8.374 22.361 1.00 25.00 H new ATOM 0 HB3 LYS A 25 0.020 8.559 21.860 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -0.611 10.394 20.330 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -2.303 10.179 20.733 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -1.740 10.644 23.156 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -0.084 10.962 22.680 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -0.848 12.818 21.211 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -2.514 12.486 21.639 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -1.613 14.306 22.977 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -1.985 12.986 23.977 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -0.370 13.308 23.563 1.00 25.00 H new ATOM 446 N VAL A 26 -0.538 7.355 18.094 1.00 25.00 N ATOM 447 CA VAL A 26 0.331 7.471 16.921 1.00 25.00 C ATOM 448 C VAL A 26 -0.469 8.145 15.819 1.00 25.00 C ATOM 449 O VAL A 26 -1.695 8.201 15.875 1.00 25.00 O ATOM 450 CB VAL A 26 0.850 6.079 16.426 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.794 5.465 17.461 1.00 25.00 C ATOM 452 CG2 VAL A 26 -0.314 5.119 16.143 1.00 25.00 C ATOM 0 H VAL A 26 -1.450 6.945 17.892 1.00 25.00 H new ATOM 0 HA VAL A 26 1.211 8.056 17.189 1.00 25.00 H new ATOM 0 HB VAL A 26 1.394 6.238 15.495 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.147 4.498 17.103 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.646 6.128 17.615 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.263 5.332 18.404 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.079 4.162 15.801 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.892 4.969 17.055 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.957 5.544 15.372 1.00 25.00 H new ATOM 462 N LYS A 27 0.220 8.676 14.821 1.00 25.00 N ATOM 463 CA LYS A 27 -0.449 9.339 13.703 1.00 25.00 C ATOM 464 C LYS A 27 -0.587 8.332 12.575 1.00 25.00 C ATOM 465 O LYS A 27 0.299 7.521 12.374 1.00 25.00 O ATOM 466 CB LYS A 27 0.370 10.554 13.248 1.00 25.00 C ATOM 467 CG LYS A 27 -0.359 11.450 12.250 1.00 25.00 C ATOM 468 CD LYS A 27 0.457 12.685 11.899 1.00 25.00 C ATOM 469 CE LYS A 27 -0.349 13.600 10.972 1.00 25.00 C ATOM 470 NZ LYS A 27 0.389 14.865 10.635 1.00 25.00 N ATOM 0 H LYS A 27 1.238 8.663 14.758 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.435 9.695 14.004 1.00 25.00 H new ATOM 0 HB2 LYS A 27 0.641 11.146 14.122 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.300 10.206 12.798 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.572 10.885 11.342 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -1.318 11.755 12.668 1.00 25.00 H new ATOM 0 HD2 LYS A 27 0.728 13.222 12.808 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.387 12.390 11.414 1.00 25.00 H new ATOM 0 HE2 LYS A 27 -0.586 13.064 10.053 1.00 25.00 H new ATOM 0 HE3 LYS A 27 -1.297 13.851 11.448 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 -0.196 15.451 10.006 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 0.593 15.391 11.509 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 1.282 14.629 10.157 1.00 25.00 H new ATOM 484 N PHE A 28 -1.663 8.434 11.808 1.00 25.00 N ATOM 485 CA PHE A 28 -1.877 7.581 10.633 1.00 25.00 C ATOM 486 C PHE A 28 -0.657 7.542 9.725 1.00 25.00 C ATOM 487 O PHE A 28 -0.194 6.480 9.355 1.00 25.00 O ATOM 488 CB PHE A 28 -3.049 8.143 9.819 1.00 25.00 C ATOM 489 CG PHE A 28 -4.311 7.349 9.940 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.131 7.469 11.076 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.703 6.490 8.902 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.328 6.726 11.177 1.00 25.00 C ATOM 493 CE2 PHE A 28 -5.891 5.747 8.992 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.708 5.867 10.127 1.00 25.00 C ATOM 0 H PHE A 28 -2.413 9.105 11.976 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.078 6.571 10.991 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.244 9.166 10.141 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.760 8.188 8.769 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.844 8.134 11.877 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.083 6.399 8.022 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.949 6.816 12.056 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.176 5.084 8.189 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.626 5.302 10.195 1.00 25.00 H new ATOM 504 N ALA A 29 -0.129 8.713 9.394 1.00 25.00 N ATOM 505 CA ALA A 29 1.024 8.815 8.503 1.00 25.00 C ATOM 506 C ALA A 29 2.251 8.071 9.048 1.00 25.00 C ATOM 507 O ALA A 29 3.076 7.596 8.289 1.00 25.00 O ATOM 508 CB ALA A 29 1.363 10.293 8.273 1.00 25.00 C ATOM 0 H ALA A 29 -0.481 9.610 9.729 1.00 25.00 H new ATOM 0 HA ALA A 29 0.756 8.341 7.559 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.223 10.370 7.608 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.509 10.796 7.820 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.598 10.765 9.227 1.00 25.00 H new ATOM 514 N ASP A 30 2.372 7.987 10.364 1.00 25.00 N ATOM 515 CA ASP A 30 3.497 7.294 10.981 1.00 25.00 C ATOM 516 C ASP A 30 3.234 5.796 11.124 1.00 25.00 C ATOM 517 O ASP A 30 4.176 5.025 11.196 1.00 25.00 O ATOM 518 CB ASP A 30 3.814 7.899 12.347 1.00 25.00 C ATOM 519 CG ASP A 30 4.503 9.246 12.232 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.689 9.290 11.822 1.00 25.00 O ATOM 521 OD2 ASP A 30 3.874 10.277 12.563 1.00 25.00 O ATOM 0 H ASP A 30 1.708 8.388 11.026 1.00 25.00 H new ATOM 0 HA ASP A 30 4.356 7.421 10.322 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.891 8.013 12.915 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.451 7.214 12.907 1.00 25.00 H new ATOM 526 N LEU A 31 1.972 5.379 11.145 1.00 25.00 N ATOM 527 CA LEU A 31 1.649 3.949 11.235 1.00 25.00 C ATOM 528 C LEU A 31 1.675 3.306 9.857 1.00 25.00 C ATOM 529 O LEU A 31 2.382 2.329 9.632 1.00 25.00 O ATOM 530 CB LEU A 31 0.277 3.714 11.880 1.00 25.00 C ATOM 531 CG LEU A 31 0.294 2.538 12.884 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.054 2.367 13.531 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.699 1.211 12.247 1.00 25.00 C ATOM 0 H LEU A 31 1.162 5.997 11.102 1.00 25.00 H new ATOM 0 HA LEU A 31 2.409 3.489 11.867 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.041 4.622 12.393 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.459 3.513 11.101 1.00 25.00 H new ATOM 0 HG LEU A 31 1.045 2.798 13.630 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.018 1.534 14.233 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.320 3.280 14.064 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.802 2.163 12.765 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.691 0.427 13.004 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -0.006 0.958 11.455 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.701 1.300 11.827 1.00 25.00 H new ATOM 545 N LEU A 32 0.942 3.889 8.920 1.00 25.00 N ATOM 546 CA LEU A 32 0.931 3.383 7.537 1.00 25.00 C ATOM 547 C LEU A 32 2.315 3.434 6.894 1.00 25.00 C ATOM 548 O LEU A 32 2.594 2.692 5.972 1.00 25.00 O ATOM 549 CB LEU A 32 -0.050 4.154 6.652 1.00 25.00 C ATOM 550 CG LEU A 32 -1.539 3.768 6.685 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.802 2.270 6.583 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.214 4.317 7.893 1.00 25.00 C ATOM 0 H LEU A 32 0.350 4.704 9.079 1.00 25.00 H new ATOM 0 HA LEU A 32 0.610 2.344 7.608 1.00 25.00 H new ATOM 0 HB2 LEU A 32 0.024 5.208 6.919 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.292 4.061 5.621 1.00 25.00 H new ATOM 0 HG LEU A 32 -1.963 4.219 5.788 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.876 2.086 6.614 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.396 1.892 5.644 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.322 1.759 7.418 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.265 4.027 7.886 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.734 3.923 8.789 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.138 5.404 7.890 1.00 25.00 H new ATOM 564 N LYS A 33 3.202 4.251 7.438 1.00 25.00 N ATOM 565 CA LYS A 33 4.613 4.252 7.023 1.00 25.00 C ATOM 566 C LYS A 33 5.201 2.837 7.103 1.00 25.00 C ATOM 567 O LYS A 33 5.947 2.410 6.233 1.00 25.00 O ATOM 568 CB LYS A 33 5.387 5.191 7.949 1.00 25.00 C ATOM 569 CG LYS A 33 6.905 5.172 7.805 1.00 25.00 C ATOM 570 CD LYS A 33 7.542 6.245 8.702 1.00 25.00 C ATOM 571 CE LYS A 33 7.450 5.874 10.188 1.00 25.00 C ATOM 572 NZ LYS A 33 7.914 6.981 11.094 1.00 25.00 N ATOM 0 H LYS A 33 2.979 4.926 8.169 1.00 25.00 H new ATOM 0 HA LYS A 33 4.690 4.591 5.990 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.038 6.209 7.775 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.137 4.940 8.980 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.290 4.188 8.074 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.180 5.348 6.765 1.00 25.00 H new ATOM 0 HD2 LYS A 33 8.588 6.377 8.424 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.045 7.201 8.535 1.00 25.00 H new ATOM 0 HE2 LYS A 33 6.418 5.620 10.431 1.00 25.00 H new ATOM 0 HE3 LYS A 33 8.050 4.983 10.373 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 8.218 6.580 12.004 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 8.712 7.480 10.652 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.133 7.649 11.254 1.00 25.00 H new ATOM 586 N PHE A 34 4.840 2.105 8.143 1.00 25.00 N ATOM 587 CA PHE A 34 5.337 0.746 8.337 1.00 25.00 C ATOM 588 C PHE A 34 4.546 -0.268 7.516 1.00 25.00 C ATOM 589 O PHE A 34 5.072 -1.309 7.140 1.00 25.00 O ATOM 590 CB PHE A 34 5.298 0.408 9.821 1.00 25.00 C ATOM 591 CG PHE A 34 6.244 1.241 10.635 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.619 0.942 10.658 1.00 25.00 C ATOM 593 CD2 PHE A 34 5.776 2.349 11.355 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.519 1.738 11.407 1.00 25.00 C ATOM 595 CE2 PHE A 34 6.663 3.152 12.106 1.00 25.00 C ATOM 596 CZ PHE A 34 8.037 2.845 12.134 1.00 25.00 C ATOM 0 H PHE A 34 4.202 2.427 8.871 1.00 25.00 H new ATOM 0 HA PHE A 34 6.367 0.694 7.983 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.284 0.550 10.194 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.542 -0.646 9.955 1.00 25.00 H new ATOM 0 HD1 PHE A 34 7.992 0.097 10.099 1.00 25.00 H new ATOM 0 HD2 PHE A 34 4.724 2.592 11.335 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.572 1.498 11.421 1.00 25.00 H new ATOM 0 HE2 PHE A 34 6.288 4.001 12.658 1.00 25.00 H new ATOM 0 HZ PHE A 34 8.718 3.455 12.710 1.00 25.00 H new ATOM 606 N PHE A 35 3.310 0.071 7.172 1.00 25.00 N ATOM 607 CA PHE A 35 2.501 -0.768 6.278 1.00 25.00 C ATOM 608 C PHE A 35 3.083 -0.653 4.866 1.00 25.00 C ATOM 609 O PHE A 35 2.853 -1.495 4.023 1.00 25.00 O ATOM 610 CB PHE A 35 1.034 -0.311 6.234 1.00 25.00 C ATOM 611 CG PHE A 35 0.191 -0.742 7.422 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.703 -0.787 8.738 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.160 -1.087 7.216 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.122 -1.181 9.819 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.991 -1.470 8.298 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.466 -1.521 9.597 1.00 25.00 C ATOM 0 H PHE A 35 2.841 0.918 7.494 1.00 25.00 H new ATOM 0 HA PHE A 35 2.527 -1.793 6.649 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.010 0.777 6.166 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.576 -0.697 5.323 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.733 -0.518 8.921 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.569 -1.059 6.217 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.284 -1.220 10.819 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -3.026 -1.722 8.122 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.093 -1.821 10.424 1.00 25.00 H new ATOM 626 N ASP A 36 3.834 0.407 4.607 1.00 25.00 N ATOM 627 CA ASP A 36 4.485 0.578 3.311 1.00 25.00 C ATOM 628 C ASP A 36 5.819 -0.164 3.288 1.00 25.00 C ATOM 629 O ASP A 36 6.203 -0.742 2.283 1.00 25.00 O ATOM 630 CB ASP A 36 4.705 2.061 3.031 1.00 25.00 C ATOM 631 CG ASP A 36 4.563 2.393 1.568 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.403 2.482 1.099 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.579 2.596 0.885 1.00 25.00 O ATOM 0 H ASP A 36 4.009 1.160 5.272 1.00 25.00 H new ATOM 0 HA ASP A 36 3.841 0.163 2.536 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.988 2.647 3.606 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.699 2.349 3.372 1.00 25.00 H new ATOM 638 N PHE A 37 6.497 -0.172 4.428 1.00 25.00 N ATOM 639 CA PHE A 37 7.810 -0.811 4.562 1.00 25.00 C ATOM 640 C PHE A 37 7.771 -2.316 4.269 1.00 25.00 C ATOM 641 O PHE A 37 8.692 -2.857 3.667 1.00 25.00 O ATOM 642 CB PHE A 37 8.343 -0.560 5.979 1.00 25.00 C ATOM 643 CG PHE A 37 9.778 -0.977 6.174 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.827 -0.202 5.641 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.092 -2.140 6.903 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.182 -0.584 5.830 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.444 -2.531 7.099 1.00 25.00 C ATOM 648 CZ PHE A 37 12.488 -1.749 6.561 1.00 25.00 C ATOM 0 H PHE A 37 6.158 0.262 5.287 1.00 25.00 H new ATOM 0 HA PHE A 37 8.474 -0.369 3.820 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.249 0.501 6.209 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.718 -1.098 6.692 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.598 0.693 5.082 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.297 -2.741 7.318 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.977 0.018 5.414 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.672 -3.426 7.659 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.517 -2.042 6.709 1.00 25.00 H new ATOM 658 N VAL A 38 6.687 -2.984 4.645 1.00 25.00 N ATOM 659 CA VAL A 38 6.544 -4.420 4.365 1.00 25.00 C ATOM 660 C VAL A 38 6.543 -4.687 2.859 1.00 25.00 C ATOM 661 O VAL A 38 7.037 -5.711 2.419 1.00 25.00 O ATOM 662 CB VAL A 38 5.259 -5.041 5.052 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.098 -4.081 5.049 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.817 -6.365 4.388 1.00 25.00 C ATOM 0 H VAL A 38 5.899 -2.566 5.139 1.00 25.00 H new ATOM 0 HA VAL A 38 7.410 -4.917 4.802 1.00 25.00 H new ATOM 0 HB VAL A 38 5.551 -5.247 6.082 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.238 -4.548 5.530 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.372 -3.177 5.594 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.843 -3.822 4.021 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.932 -6.749 4.896 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.583 -6.186 3.339 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.623 -7.095 4.461 1.00 25.00 H new ATOM 674 N LYS A 39 6.032 -3.760 2.060 1.00 25.00 N ATOM 675 CA LYS A 39 5.983 -3.964 0.604 1.00 25.00 C ATOM 676 C LYS A 39 7.379 -4.093 0.001 1.00 25.00 C ATOM 677 O LYS A 39 7.578 -4.853 -0.935 1.00 25.00 O ATOM 678 CB LYS A 39 5.225 -2.821 -0.086 1.00 25.00 C ATOM 679 CG LYS A 39 4.763 -3.175 -1.506 1.00 25.00 C ATOM 680 CD LYS A 39 3.925 -2.062 -2.140 1.00 25.00 C ATOM 681 CE LYS A 39 3.308 -2.530 -3.474 1.00 25.00 C ATOM 682 NZ LYS A 39 2.383 -1.503 -4.098 1.00 25.00 N ATOM 0 H LYS A 39 5.649 -2.871 2.381 1.00 25.00 H new ATOM 0 HA LYS A 39 5.451 -4.900 0.434 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.357 -2.554 0.516 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.867 -1.941 -0.128 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.634 -3.371 -2.131 1.00 25.00 H new ATOM 0 HG3 LYS A 39 4.179 -4.095 -1.477 1.00 25.00 H new ATOM 0 HD2 LYS A 39 3.133 -1.762 -1.454 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.548 -1.184 -2.311 1.00 25.00 H new ATOM 0 HE2 LYS A 39 4.109 -2.762 -4.176 1.00 25.00 H new ATOM 0 HE3 LYS A 39 2.754 -3.454 -3.306 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 2.001 -1.877 -4.990 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 1.600 -1.299 -3.445 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 2.913 -0.628 -4.287 1.00 25.00 H new ATOM 696 N ASP A 40 8.339 -3.360 0.548 1.00 25.00 N ATOM 697 CA ASP A 40 9.721 -3.414 0.058 1.00 25.00 C ATOM 698 C ASP A 40 10.364 -4.760 0.387 1.00 25.00 C ATOM 699 O ASP A 40 10.888 -5.444 -0.486 1.00 25.00 O ATOM 700 CB ASP A 40 10.545 -2.289 0.693 1.00 25.00 C ATOM 701 CG ASP A 40 11.956 -2.211 0.132 1.00 25.00 C ATOM 702 OD1 ASP A 40 12.852 -2.914 0.648 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.180 -1.405 -0.795 1.00 25.00 O ATOM 0 H ASP A 40 8.193 -2.721 1.329 1.00 25.00 H new ATOM 0 HA ASP A 40 9.702 -3.290 -1.025 1.00 25.00 H new ATOM 0 HB2 ASP A 40 10.040 -1.337 0.530 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.594 -2.443 1.771 1.00 25.00 H new ATOM 708 N THR A 41 10.298 -5.148 1.652 1.00 25.00 N ATOM 709 CA THR A 41 10.907 -6.398 2.108 1.00 25.00 C ATOM 710 C THR A 41 10.167 -7.632 1.586 1.00 25.00 C ATOM 711 O THR A 41 10.737 -8.711 1.439 1.00 25.00 O ATOM 712 CB THR A 41 10.901 -6.443 3.644 1.00 25.00 C ATOM 713 OG1 THR A 41 11.123 -5.123 4.148 1.00 25.00 O ATOM 714 CG2 THR A 41 11.991 -7.339 4.176 1.00 25.00 C ATOM 0 H THR A 41 9.829 -4.617 2.386 1.00 25.00 H new ATOM 0 HA THR A 41 11.924 -6.419 1.717 1.00 25.00 H new ATOM 0 HB THR A 41 9.936 -6.835 3.966 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.164 -5.149 5.127 1.00 25.00 H new ATOM 0 HG21 THR A 41 11.956 -7.346 5.265 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.844 -8.352 3.801 1.00 25.00 H new ATOM 0 HG23 THR A 41 12.961 -6.967 3.846 1.00 25.00 H new ATOM 722 N CYS A 42 8.876 -7.473 1.346 1.00 25.00 N ATOM 723 CA CYS A 42 8.024 -8.558 0.875 1.00 25.00 C ATOM 724 C CYS A 42 7.165 -8.119 -0.313 1.00 25.00 C ATOM 725 O CYS A 42 5.963 -7.882 -0.160 1.00 25.00 O ATOM 726 CB CYS A 42 7.105 -9.019 2.007 1.00 25.00 C ATOM 727 SG CYS A 42 7.978 -9.724 3.409 1.00 25.00 S ATOM 0 H CYS A 42 8.386 -6.587 1.472 1.00 25.00 H new ATOM 0 HA CYS A 42 8.671 -9.375 0.554 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.512 -8.171 2.349 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.406 -9.759 1.617 1.00 25.00 H new ATOM 0 HG CYS A 42 9.112 -10.219 3.010 1.00 25.00 H new ATOM 733 N PRO A 43 7.744 -8.066 -1.525 1.00 25.00 N ATOM 734 CA PRO A 43 6.943 -7.659 -2.689 1.00 25.00 C ATOM 735 C PRO A 43 5.927 -8.725 -3.097 1.00 25.00 C ATOM 736 O PRO A 43 4.979 -8.465 -3.826 1.00 25.00 O ATOM 737 CB PRO A 43 8.003 -7.445 -3.770 1.00 25.00 C ATOM 738 CG PRO A 43 9.082 -8.407 -3.414 1.00 25.00 C ATOM 739 CD PRO A 43 9.135 -8.381 -1.906 1.00 25.00 C ATOM 0 HA PRO A 43 6.336 -6.775 -2.496 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.604 -7.643 -4.765 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.369 -6.418 -3.772 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.859 -9.407 -3.785 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.036 -8.111 -3.849 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.457 -9.339 -1.498 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.833 -7.628 -1.541 1.00 25.00 H new ATOM 747 N TRP A 44 6.114 -9.928 -2.577 1.00 25.00 N ATOM 748 CA TRP A 44 5.197 -11.035 -2.810 1.00 25.00 C ATOM 749 C TRP A 44 3.983 -10.976 -1.879 1.00 25.00 C ATOM 750 O TRP A 44 2.969 -11.609 -2.143 1.00 25.00 O ATOM 751 CB TRP A 44 5.950 -12.346 -2.612 1.00 25.00 C ATOM 752 CG TRP A 44 7.014 -12.218 -1.570 1.00 25.00 C ATOM 753 CD1 TRP A 44 6.834 -12.075 -0.245 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.443 -12.185 -1.769 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.019 -11.967 0.423 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.039 -12.021 -0.484 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.277 -12.259 -2.901 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.432 -11.926 -0.305 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.684 -12.167 -2.725 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.243 -12.000 -1.423 1.00 25.00 C ATOM 0 H TRP A 44 6.907 -10.166 -1.981 1.00 25.00 H new ATOM 0 HA TRP A 44 4.821 -10.966 -3.831 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.249 -13.129 -2.322 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.400 -12.654 -3.556 1.00 25.00 H new ATOM 0 HD1 TRP A 44 5.866 -12.049 0.234 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.125 -11.863 1.432 1.00 25.00 H new ATOM 0 HE3 TRP A 44 8.854 -12.384 -3.887 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 10.857 -11.799 0.680 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.336 -12.224 -3.584 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.315 -11.930 -1.309 1.00 25.00 H new ATOM 771 N PHE A 45 4.069 -10.202 -0.805 1.00 25.00 N ATOM 772 CA PHE A 45 2.956 -10.102 0.145 1.00 25.00 C ATOM 773 C PHE A 45 1.706 -9.471 -0.499 1.00 25.00 C ATOM 774 O PHE A 45 0.629 -10.075 -0.454 1.00 25.00 O ATOM 775 CB PHE A 45 3.393 -9.336 1.404 1.00 25.00 C ATOM 776 CG PHE A 45 2.387 -9.370 2.519 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.376 -10.442 3.435 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.456 -8.326 2.680 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.445 -10.475 4.504 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.518 -8.350 3.741 1.00 25.00 C ATOM 781 CZ PHE A 45 0.519 -9.425 4.657 1.00 25.00 C ATOM 0 H PHE A 45 4.885 -9.638 -0.567 1.00 25.00 H new ATOM 0 HA PHE A 45 2.677 -11.113 0.442 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.333 -9.754 1.764 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.588 -8.298 1.136 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.086 -11.248 3.321 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.457 -7.498 1.987 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.446 -11.302 5.198 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.197 -7.548 3.849 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.189 -9.442 5.473 1.00 25.00 H new ATOM 791 N PRO A 46 1.828 -8.290 -1.155 1.00 25.00 N ATOM 792 CA PRO A 46 0.585 -7.837 -1.791 1.00 25.00 C ATOM 793 C PRO A 46 0.179 -8.652 -3.018 1.00 25.00 C ATOM 794 O PRO A 46 -0.991 -8.684 -3.367 1.00 25.00 O ATOM 795 CB PRO A 46 0.915 -6.399 -2.194 1.00 25.00 C ATOM 796 CG PRO A 46 2.358 -6.425 -2.457 1.00 25.00 C ATOM 797 CD PRO A 46 2.915 -7.313 -1.383 1.00 25.00 C ATOM 0 HA PRO A 46 -0.264 -7.942 -1.116 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.354 -6.094 -3.077 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.667 -5.695 -1.400 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.574 -6.818 -3.450 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.789 -5.425 -2.410 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.836 -7.802 -1.702 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.149 -6.752 -0.478 1.00 25.00 H new ATOM 805 N GLN A 47 1.137 -9.312 -3.658 1.00 25.00 N ATOM 806 CA GLN A 47 0.854 -10.099 -4.858 1.00 25.00 C ATOM 807 C GLN A 47 0.002 -11.324 -4.546 1.00 25.00 C ATOM 808 O GLN A 47 -0.901 -11.662 -5.299 1.00 25.00 O ATOM 809 CB GLN A 47 2.163 -10.539 -5.519 1.00 25.00 C ATOM 810 CG GLN A 47 2.468 -9.816 -6.832 1.00 25.00 C ATOM 811 CD GLN A 47 3.081 -8.439 -6.630 1.00 25.00 C ATOM 812 OE1 GLN A 47 2.497 -7.563 -6.012 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.256 -8.244 -7.169 1.00 25.00 N ATOM 0 H GLN A 47 2.115 -9.320 -3.369 1.00 25.00 H new ATOM 0 HA GLN A 47 0.291 -9.463 -5.541 1.00 25.00 H new ATOM 0 HB2 GLN A 47 2.985 -10.370 -4.823 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.121 -11.612 -5.708 1.00 25.00 H new ATOM 0 HG2 GLN A 47 3.149 -10.426 -7.425 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.547 -9.716 -7.406 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.715 -8.999 -7.679 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.714 -7.337 -7.080 1.00 25.00 H new ATOM 822 N GLU A 48 0.273 -11.982 -3.426 1.00 25.00 N ATOM 823 CA GLU A 48 -0.547 -13.125 -3.014 1.00 25.00 C ATOM 824 C GLU A 48 -1.858 -12.609 -2.411 1.00 25.00 C ATOM 825 O GLU A 48 -2.862 -13.320 -2.366 1.00 25.00 O ATOM 826 CB GLU A 48 0.203 -14.008 -2.012 1.00 25.00 C ATOM 827 CG GLU A 48 1.402 -14.747 -2.627 1.00 25.00 C ATOM 828 CD GLU A 48 1.968 -15.803 -1.687 1.00 25.00 C ATOM 829 OE1 GLU A 48 2.870 -15.485 -0.876 1.00 25.00 O ATOM 830 OE2 GLU A 48 1.413 -16.922 -1.649 1.00 25.00 O ATOM 0 H GLU A 48 1.039 -11.753 -2.793 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.767 -13.740 -3.887 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.552 -13.390 -1.185 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.489 -14.739 -1.594 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.096 -15.220 -3.560 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.182 -14.027 -2.875 1.00 25.00 H new ATOM 837 N GLY A 49 -1.845 -11.351 -1.986 1.00 25.00 N ATOM 838 CA GLY A 49 -3.055 -10.667 -1.555 1.00 25.00 C ATOM 839 C GLY A 49 -3.831 -11.317 -0.428 1.00 25.00 C ATOM 840 O GLY A 49 -5.048 -11.176 -0.354 1.00 25.00 O ATOM 0 H GLY A 49 -1.001 -10.781 -1.931 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.785 -9.657 -1.246 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.718 -10.571 -2.415 1.00 25.00 H new ATOM 844 N THR A 50 -3.141 -12.054 0.426 1.00 25.00 N ATOM 845 CA THR A 50 -3.786 -12.782 1.516 1.00 25.00 C ATOM 846 C THR A 50 -3.099 -12.399 2.818 1.00 25.00 C ATOM 847 O THR A 50 -1.868 -12.360 2.890 1.00 25.00 O ATOM 848 CB THR A 50 -3.685 -14.299 1.287 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.202 -14.628 -0.005 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.481 -15.079 2.330 1.00 25.00 C ATOM 0 H THR A 50 -2.128 -12.167 0.388 1.00 25.00 H new ATOM 0 HA THR A 50 -4.843 -12.521 1.559 1.00 25.00 H new ATOM 0 HB THR A 50 -2.633 -14.571 1.366 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.610 -14.265 -0.696 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.386 -16.147 2.136 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.095 -14.855 3.324 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.531 -14.792 2.275 1.00 25.00 H new ATOM 858 N ILE A 51 -3.891 -12.066 3.826 1.00 25.00 N ATOM 859 CA ILE A 51 -3.381 -11.525 5.082 1.00 25.00 C ATOM 860 C ILE A 51 -3.889 -12.359 6.254 1.00 25.00 C ATOM 861 O ILE A 51 -5.033 -12.264 6.685 1.00 25.00 O ATOM 862 CB ILE A 51 -3.797 -10.033 5.220 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.206 -9.235 4.040 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.318 -9.424 6.566 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.648 -7.819 3.963 1.00 25.00 C ATOM 0 H ILE A 51 -4.906 -12.162 3.799 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.292 -11.573 5.086 1.00 25.00 H new ATOM 0 HB ILE A 51 -4.885 -9.976 5.205 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.119 -9.258 4.112 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.475 -9.736 3.110 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.628 -8.381 6.624 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.758 -9.980 7.394 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.231 -9.483 6.626 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.182 -7.339 3.103 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -4.732 -7.782 3.856 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.355 -7.296 4.874 1.00 25.00 H new ATOM 877 N ASP A 52 -2.998 -13.187 6.768 1.00 25.00 N ATOM 878 CA ASP A 52 -3.289 -14.047 7.904 1.00 25.00 C ATOM 879 C ASP A 52 -1.982 -14.158 8.668 1.00 25.00 C ATOM 880 O ASP A 52 -0.935 -13.774 8.160 1.00 25.00 O ATOM 881 CB ASP A 52 -3.808 -15.405 7.431 1.00 25.00 C ATOM 882 CG ASP A 52 -3.092 -16.559 8.066 1.00 25.00 C ATOM 883 OD1 ASP A 52 -2.057 -16.981 7.518 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.500 -17.004 9.156 1.00 25.00 O ATOM 0 H ASP A 52 -2.048 -13.283 6.409 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.075 -13.644 8.543 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.873 -15.478 7.653 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -3.703 -15.471 6.348 1.00 25.00 H new ATOM 889 N ILE A 53 -2.048 -14.615 9.903 1.00 25.00 N ATOM 890 CA ILE A 53 -0.892 -14.589 10.803 1.00 25.00 C ATOM 891 C ILE A 53 0.236 -15.498 10.337 1.00 25.00 C ATOM 892 O ILE A 53 1.407 -15.185 10.520 1.00 25.00 O ATOM 893 CB ILE A 53 -1.321 -14.937 12.265 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.190 -14.650 13.272 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.799 -16.390 12.395 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.183 -13.174 13.395 1.00 25.00 C ATOM 0 H ILE A 53 -2.892 -15.013 10.316 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.501 -13.572 10.785 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.163 -14.287 12.504 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.490 -15.020 14.253 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.695 -15.213 12.976 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.087 -16.587 13.428 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.657 -16.551 11.742 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.993 -17.065 12.108 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.986 -13.061 14.124 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.517 -12.801 12.427 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.687 -12.605 13.723 1.00 25.00 H new ATOM 908 N LYS A 54 -0.097 -16.597 9.680 1.00 25.00 N ATOM 909 CA LYS A 54 0.928 -17.523 9.190 1.00 25.00 C ATOM 910 C LYS A 54 1.683 -16.895 8.028 1.00 25.00 C ATOM 911 O LYS A 54 2.851 -17.197 7.810 1.00 25.00 O ATOM 912 CB LYS A 54 0.304 -18.861 8.770 1.00 25.00 C ATOM 913 CG LYS A 54 -0.391 -19.611 9.924 1.00 25.00 C ATOM 914 CD LYS A 54 -1.413 -20.648 9.433 1.00 25.00 C ATOM 915 CE LYS A 54 -2.701 -19.961 8.962 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.818 -20.899 8.622 1.00 25.00 N ATOM 0 H LYS A 54 -1.056 -16.874 9.472 1.00 25.00 H new ATOM 0 HA LYS A 54 1.630 -17.722 10.000 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.422 -18.680 7.977 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.082 -19.499 8.351 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.363 -20.111 10.532 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.894 -18.890 10.569 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -0.985 -21.229 8.616 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.642 -21.349 10.236 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -3.041 -19.280 9.742 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.474 -19.354 8.086 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.648 -20.353 8.314 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.517 -21.534 7.855 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -4.066 -21.462 9.460 1.00 25.00 H new ATOM 930 N ARG A 55 1.043 -15.967 7.332 1.00 25.00 N ATOM 931 CA ARG A 55 1.724 -15.197 6.290 1.00 25.00 C ATOM 932 C ARG A 55 2.441 -13.996 6.892 1.00 25.00 C ATOM 933 O ARG A 55 3.537 -13.658 6.483 1.00 25.00 O ATOM 934 CB ARG A 55 0.717 -14.725 5.248 1.00 25.00 C ATOM 935 CG ARG A 55 0.101 -15.871 4.474 1.00 25.00 C ATOM 936 CD ARG A 55 -0.857 -15.342 3.445 1.00 25.00 C ATOM 937 NE ARG A 55 -1.056 -16.288 2.336 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.257 -16.398 1.280 1.00 25.00 C ATOM 939 NH1 ARG A 55 0.825 -15.675 1.155 1.00 25.00 N ATOM 940 NH2 ARG A 55 -0.549 -17.248 0.341 1.00 25.00 N ATOM 0 H ARG A 55 0.061 -15.727 7.465 1.00 25.00 H new ATOM 0 HA ARG A 55 2.462 -15.842 5.813 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.073 -14.159 5.742 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.210 -14.045 4.553 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.883 -16.454 3.988 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.420 -16.543 5.156 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.816 -15.131 3.918 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.481 -14.397 3.052 1.00 25.00 H new ATOM 0 HE ARG A 55 -1.867 -16.905 2.381 1.00 25.00 H new ATOM 0 HH11 ARG A 55 1.076 -15.003 1.880 1.00 25.00 H new ATOM 0 HH12 ARG A 55 1.418 -15.783 0.332 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -1.387 -17.825 0.418 1.00 25.00 H new ATOM 0 HH22 ARG A 55 0.059 -17.338 -0.473 1.00 25.00 H new ATOM 954 N TRP A 56 1.829 -13.370 7.881 1.00 25.00 N ATOM 955 CA TRP A 56 2.407 -12.197 8.533 1.00 25.00 C ATOM 956 C TRP A 56 3.707 -12.508 9.251 1.00 25.00 C ATOM 957 O TRP A 56 4.622 -11.698 9.280 1.00 25.00 O ATOM 958 CB TRP A 56 1.433 -11.639 9.557 1.00 25.00 C ATOM 959 CG TRP A 56 1.884 -10.308 10.095 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.206 -9.999 11.377 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.094 -9.090 9.347 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.593 -8.696 11.500 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.547 -8.102 10.270 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.957 -8.737 7.988 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.875 -6.790 9.871 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.286 -7.419 7.583 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.741 -6.458 8.534 1.00 25.00 C ATOM 0 H TRP A 56 0.924 -13.653 8.256 1.00 25.00 H new ATOM 0 HA TRP A 56 2.610 -11.475 7.742 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.449 -11.531 9.101 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.327 -12.346 10.380 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.161 -10.698 12.199 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.871 -8.240 12.369 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.607 -9.460 7.267 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.222 -6.063 10.590 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.191 -7.140 6.544 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.984 -5.458 8.206 1.00 25.00 H new ATOM 978 N ARG A 57 3.797 -13.685 9.845 1.00 25.00 N ATOM 979 CA ARG A 57 5.008 -14.049 10.572 1.00 25.00 C ATOM 980 C ARG A 57 6.216 -14.149 9.654 1.00 25.00 C ATOM 981 O ARG A 57 7.291 -13.693 9.994 1.00 25.00 O ATOM 982 CB ARG A 57 4.794 -15.304 11.398 1.00 25.00 C ATOM 983 CG ARG A 57 4.338 -16.524 10.695 1.00 25.00 C ATOM 984 CD ARG A 57 3.679 -17.410 11.749 1.00 25.00 C ATOM 985 NE ARG A 57 3.570 -18.816 11.335 1.00 25.00 N ATOM 986 CZ ARG A 57 2.963 -19.768 12.036 1.00 25.00 C ATOM 987 NH1 ARG A 57 2.362 -19.521 13.178 1.00 25.00 N ATOM 988 NH2 ARG A 57 2.960 -20.990 11.583 1.00 25.00 N ATOM 0 H ARG A 57 3.064 -14.395 9.842 1.00 25.00 H new ATOM 0 HA ARG A 57 5.230 -13.243 11.271 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.732 -15.538 11.900 1.00 25.00 H new ATOM 0 HB3 ARG A 57 4.065 -15.073 12.175 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.633 -16.274 9.902 1.00 25.00 H new ATOM 0 HG3 ARG A 57 5.177 -17.038 10.226 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.254 -17.353 12.673 1.00 25.00 H new ATOM 0 HD3 ARG A 57 2.684 -17.024 11.968 1.00 25.00 H new ATOM 0 HE ARG A 57 3.991 -19.080 10.444 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.351 -18.573 13.554 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.906 -20.277 13.689 1.00 25.00 H new ATOM 0 HH21 ARG A 57 3.420 -21.207 10.699 1.00 25.00 H new ATOM 0 HH22 ARG A 57 2.497 -21.729 12.112 1.00 25.00 H new ATOM 1002 N ARG A 58 5.974 -14.601 8.436 1.00 25.00 N ATOM 1003 CA ARG A 58 7.008 -14.604 7.381 1.00 25.00 C ATOM 1004 C ARG A 58 7.534 -13.203 7.063 1.00 25.00 C ATOM 1005 O ARG A 58 8.663 -13.058 6.637 1.00 25.00 O ATOM 1006 CB ARG A 58 6.484 -15.210 6.078 1.00 25.00 C ATOM 1007 CG ARG A 58 6.138 -16.691 6.147 1.00 25.00 C ATOM 1008 CD ARG A 58 5.533 -17.148 4.814 1.00 25.00 C ATOM 1009 NE ARG A 58 6.490 -17.000 3.699 1.00 25.00 N ATOM 1010 CZ ARG A 58 6.172 -16.959 2.407 1.00 25.00 C ATOM 1011 NH1 ARG A 58 4.934 -17.061 1.981 1.00 25.00 N ATOM 1012 NH2 ARG A 58 7.118 -16.801 1.525 1.00 25.00 N ATOM 0 H ARG A 58 5.072 -14.974 8.139 1.00 25.00 H new ATOM 0 HA ARG A 58 7.820 -15.210 7.783 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.595 -14.659 5.771 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.234 -15.064 5.300 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.033 -17.273 6.369 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.432 -16.871 6.958 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.225 -18.191 4.893 1.00 25.00 H new ATOM 0 HD3 ARG A 58 4.636 -16.566 4.603 1.00 25.00 H new ATOM 0 HE ARG A 58 7.478 -16.923 3.939 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.172 -17.177 2.650 1.00 25.00 H new ATOM 0 HH12 ARG A 58 4.734 -17.025 0.981 1.00 25.00 H new ATOM 0 HH21 ARG A 58 8.088 -16.711 1.828 1.00 25.00 H new ATOM 0 HH22 ARG A 58 6.889 -16.768 0.532 1.00 25.00 H new ATOM 1026 N VAL A 59 6.725 -12.175 7.266 1.00 25.00 N ATOM 1027 CA VAL A 59 7.168 -10.798 7.021 1.00 25.00 C ATOM 1028 C VAL A 59 8.196 -10.427 8.074 1.00 25.00 C ATOM 1029 O VAL A 59 9.181 -9.758 7.795 1.00 25.00 O ATOM 1030 CB VAL A 59 5.987 -9.793 7.096 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.453 -8.375 6.819 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.908 -10.190 6.106 1.00 25.00 C ATOM 0 H VAL A 59 5.764 -12.259 7.597 1.00 25.00 H new ATOM 0 HA VAL A 59 7.593 -10.746 6.019 1.00 25.00 H new ATOM 0 HB VAL A 59 5.579 -9.822 8.106 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.604 -7.695 6.879 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.201 -8.087 7.558 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.889 -8.324 5.821 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.082 -9.481 6.164 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.320 -10.185 5.097 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.545 -11.190 6.345 1.00 25.00 H new ATOM 1042 N GLY A 60 7.980 -10.909 9.285 1.00 25.00 N ATOM 1043 CA GLY A 60 8.913 -10.654 10.361 1.00 25.00 C ATOM 1044 C GLY A 60 10.204 -11.408 10.141 1.00 25.00 C ATOM 1045 O GLY A 60 11.280 -10.881 10.397 1.00 25.00 O ATOM 0 H GLY A 60 7.172 -11.475 9.544 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.117 -9.585 10.426 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.470 -10.952 11.311 1.00 25.00 H new ATOM 1049 N ASP A 61 10.096 -12.617 9.608 1.00 25.00 N ATOM 1050 CA ASP A 61 11.273 -13.424 9.269 1.00 25.00 C ATOM 1051 C ASP A 61 12.071 -12.664 8.201 1.00 25.00 C ATOM 1052 O ASP A 61 13.291 -12.568 8.254 1.00 25.00 O ATOM 1053 CB ASP A 61 10.857 -14.802 8.715 1.00 25.00 C ATOM 1054 CG ASP A 61 10.009 -15.617 9.700 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.150 -15.446 10.928 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.168 -16.423 9.223 1.00 25.00 O ATOM 0 H ASP A 61 9.205 -13.067 9.398 1.00 25.00 H new ATOM 0 HA ASP A 61 11.873 -13.589 10.164 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.295 -14.661 7.792 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.752 -15.369 8.460 1.00 25.00 H new ATOM 1061 N CYS A 62 11.353 -12.069 7.258 1.00 25.00 N ATOM 1062 CA CYS A 62 11.968 -11.262 6.209 1.00 25.00 C ATOM 1063 C CYS A 62 12.662 -10.025 6.782 1.00 25.00 C ATOM 1064 O CYS A 62 13.775 -9.703 6.383 1.00 25.00 O ATOM 1065 CB CYS A 62 10.905 -10.821 5.201 1.00 25.00 C ATOM 1066 SG CYS A 62 11.203 -11.420 3.519 1.00 25.00 S ATOM 0 H CYS A 62 10.337 -12.130 7.197 1.00 25.00 H new ATOM 0 HA CYS A 62 12.719 -11.879 5.716 1.00 25.00 H new ATOM 0 HB2 CYS A 62 9.930 -11.176 5.536 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.860 -9.732 5.187 1.00 25.00 H new ATOM 0 HG CYS A 62 11.062 -10.439 2.678 1.00 25.00 H new ATOM 1072 N PHE A 63 12.025 -9.337 7.723 1.00 25.00 N ATOM 1073 CA PHE A 63 12.641 -8.157 8.337 1.00 25.00 C ATOM 1074 C PHE A 63 13.901 -8.561 9.077 1.00 25.00 C ATOM 1075 O PHE A 63 14.856 -7.802 9.121 1.00 25.00 O ATOM 1076 CB PHE A 63 11.725 -7.476 9.362 1.00 25.00 C ATOM 1077 CG PHE A 63 10.515 -6.789 8.773 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.566 -6.141 7.521 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.315 -6.746 9.510 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.429 -5.468 7.006 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.179 -6.063 9.009 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.238 -5.427 7.754 1.00 25.00 C ATOM 0 H PHE A 63 11.096 -9.568 8.076 1.00 25.00 H new ATOM 0 HA PHE A 63 12.847 -7.463 7.522 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.387 -8.224 10.080 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.308 -6.741 9.918 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.481 -6.158 6.948 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.260 -7.240 10.469 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.477 -4.987 6.040 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.269 -6.030 9.589 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.372 -4.910 7.367 1.00 25.00 H new ATOM 1092 N GLN A 64 13.896 -9.744 9.672 1.00 25.00 N ATOM 1093 CA GLN A 64 15.051 -10.219 10.418 1.00 25.00 C ATOM 1094 C GLN A 64 16.246 -10.375 9.484 1.00 25.00 C ATOM 1095 O GLN A 64 17.339 -9.944 9.807 1.00 25.00 O ATOM 1096 CB GLN A 64 14.737 -11.557 11.094 1.00 25.00 C ATOM 1097 CG GLN A 64 15.847 -12.076 11.991 1.00 25.00 C ATOM 1098 CD GLN A 64 15.569 -13.479 12.476 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.157 -13.688 13.607 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.790 -14.446 11.622 1.00 25.00 N ATOM 0 H GLN A 64 13.108 -10.391 9.653 1.00 25.00 H new ATOM 0 HA GLN A 64 15.293 -9.487 11.189 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.828 -11.448 11.686 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.529 -12.300 10.324 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.791 -12.060 11.446 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.962 -11.412 12.848 1.00 25.00 H new ATOM 0 HE21 GLN A 64 16.134 -14.231 10.686 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.618 -15.414 11.892 1.00 25.00 H new ATOM 1109 N ASP A 65 16.044 -10.966 8.318 1.00 25.00 N ATOM 1110 CA ASP A 65 17.156 -11.173 7.384 1.00 25.00 C ATOM 1111 C ASP A 65 17.584 -9.861 6.726 1.00 25.00 C ATOM 1112 O ASP A 65 18.769 -9.624 6.478 1.00 25.00 O ATOM 1113 CB ASP A 65 16.771 -12.200 6.321 1.00 25.00 C ATOM 1114 CG ASP A 65 16.721 -13.620 6.875 1.00 25.00 C ATOM 1115 OD1 ASP A 65 17.277 -13.861 7.977 1.00 25.00 O ATOM 1116 OD2 ASP A 65 16.145 -14.501 6.202 1.00 25.00 O ATOM 0 H ASP A 65 15.140 -11.308 7.993 1.00 25.00 H new ATOM 0 HA ASP A 65 18.005 -11.553 7.953 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.797 -11.941 5.905 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.489 -12.158 5.502 1.00 25.00 H new ATOM 1121 N TYR A 66 16.623 -8.978 6.497 1.00 25.00 N ATOM 1122 CA TYR A 66 16.906 -7.654 5.944 1.00 25.00 C ATOM 1123 C TYR A 66 17.770 -6.885 6.959 1.00 25.00 C ATOM 1124 O TYR A 66 18.732 -6.213 6.595 1.00 25.00 O ATOM 1125 CB TYR A 66 15.576 -6.941 5.672 1.00 25.00 C ATOM 1126 CG TYR A 66 15.583 -5.892 4.570 1.00 25.00 C ATOM 1127 CD1 TYR A 66 15.382 -6.262 3.220 1.00 25.00 C ATOM 1128 CD2 TYR A 66 15.725 -4.523 4.867 1.00 25.00 C ATOM 1129 CE1 TYR A 66 15.308 -5.273 2.196 1.00 25.00 C ATOM 1130 CE2 TYR A 66 15.651 -3.541 3.849 1.00 25.00 C ATOM 1131 CZ TYR A 66 15.440 -3.923 2.529 1.00 25.00 C ATOM 1132 OH TYR A 66 15.375 -2.949 1.571 1.00 25.00 O ATOM 0 H TYR A 66 15.636 -9.152 6.685 1.00 25.00 H new ATOM 0 HA TYR A 66 17.452 -7.719 5.003 1.00 25.00 H new ATOM 0 HB2 TYR A 66 14.830 -7.695 5.421 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.249 -6.464 6.596 1.00 25.00 H new ATOM 0 HD1 TYR A 66 15.283 -7.306 2.962 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.893 -4.216 5.889 1.00 25.00 H new ATOM 0 HE1 TYR A 66 15.151 -5.566 1.168 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.758 -2.496 4.098 1.00 25.00 H new ATOM 0 HH TYR A 66 14.437 -2.740 1.380 1.00 25.00 H new ATOM 1142 N PHE A 67 17.453 -7.048 8.241 1.00 25.00 N ATOM 1143 CA PHE A 67 18.233 -6.457 9.336 1.00 25.00 C ATOM 1144 C PHE A 67 19.599 -7.122 9.453 1.00 25.00 C ATOM 1145 O PHE A 67 20.591 -6.447 9.655 1.00 25.00 O ATOM 1146 CB PHE A 67 17.472 -6.631 10.657 1.00 25.00 C ATOM 1147 CG PHE A 67 18.201 -6.106 11.871 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.133 -6.918 12.550 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.938 -4.815 12.365 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.805 -6.441 13.702 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.595 -4.335 13.524 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.534 -5.147 14.189 1.00 25.00 C ATOM 0 H PHE A 67 16.649 -7.592 8.555 1.00 25.00 H new ATOM 0 HA PHE A 67 18.378 -5.398 9.122 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.511 -6.123 10.578 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.262 -7.690 10.804 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.337 -7.915 12.187 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.227 -4.183 11.854 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.525 -7.069 14.207 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.376 -3.346 13.898 1.00 25.00 H new ATOM 0 HZ PHE A 67 20.044 -4.780 15.068 1.00 25.00 H new ATOM 1162 N ASN A 68 19.658 -8.438 9.309 1.00 25.00 N ATOM 1163 CA ASN A 68 20.921 -9.176 9.440 1.00 25.00 C ATOM 1164 C ASN A 68 21.956 -8.699 8.426 1.00 25.00 C ATOM 1165 O ASN A 68 23.151 -8.836 8.647 1.00 25.00 O ATOM 1166 CB ASN A 68 20.697 -10.685 9.251 1.00 25.00 C ATOM 1167 CG ASN A 68 20.015 -11.330 10.437 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.144 -10.878 11.565 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.308 -12.404 10.194 1.00 25.00 N ATOM 0 H ASN A 68 18.849 -9.024 9.101 1.00 25.00 H new ATOM 0 HA ASN A 68 21.296 -8.985 10.445 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.094 -10.849 8.358 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.657 -11.172 9.081 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.843 -12.892 10.959 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.222 -12.753 9.239 1.00 25.00 H new ATOM 1176 N THR A 69 21.494 -8.120 7.327 1.00 25.00 N ATOM 1177 CA THR A 69 22.396 -7.615 6.296 1.00 25.00 C ATOM 1178 C THR A 69 23.276 -6.450 6.790 1.00 25.00 C ATOM 1179 O THR A 69 24.492 -6.489 6.632 1.00 25.00 O ATOM 1180 CB THR A 69 21.593 -7.149 5.053 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.737 -8.208 4.608 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.510 -6.778 3.898 1.00 25.00 C ATOM 0 H THR A 69 20.503 -7.987 7.124 1.00 25.00 H new ATOM 0 HA THR A 69 23.054 -8.443 6.033 1.00 25.00 H new ATOM 0 HB THR A 69 21.017 -6.272 5.349 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.082 -8.415 5.307 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.911 -6.457 3.046 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.170 -5.966 4.204 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.108 -7.645 3.615 1.00 25.00 H new ATOM 1190 N PHE A 70 22.664 -5.381 7.298 1.00 25.00 N ATOM 1191 CA PHE A 70 23.423 -4.191 7.733 1.00 25.00 C ATOM 1192 C PHE A 70 23.153 -3.691 9.158 1.00 25.00 C ATOM 1193 O PHE A 70 23.526 -2.573 9.515 1.00 25.00 O ATOM 1194 CB PHE A 70 23.226 -3.063 6.727 1.00 25.00 C ATOM 1195 CG PHE A 70 24.512 -2.499 6.210 1.00 25.00 C ATOM 1196 CD1 PHE A 70 25.205 -3.162 5.182 1.00 25.00 C ATOM 1197 CD2 PHE A 70 25.050 -1.319 6.751 1.00 25.00 C ATOM 1198 CE1 PHE A 70 26.432 -2.650 4.688 1.00 25.00 C ATOM 1199 CE2 PHE A 70 26.276 -0.793 6.268 1.00 25.00 C ATOM 1200 CZ PHE A 70 26.967 -1.462 5.233 1.00 25.00 C ATOM 0 H PHE A 70 21.654 -5.306 7.421 1.00 25.00 H new ATOM 0 HA PHE A 70 24.461 -4.521 7.766 1.00 25.00 H new ATOM 0 HB2 PHE A 70 22.636 -3.433 5.888 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.649 -2.265 7.195 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.799 -4.071 4.764 1.00 25.00 H new ATOM 0 HD2 PHE A 70 24.524 -0.807 7.543 1.00 25.00 H new ATOM 0 HE1 PHE A 70 26.956 -3.167 3.897 1.00 25.00 H new ATOM 0 HE2 PHE A 70 26.680 0.116 6.690 1.00 25.00 H new ATOM 0 HZ PHE A 70 27.900 -1.067 4.860 1.00 25.00 H new ATOM 1210 N GLY A 71 22.465 -4.482 9.962 1.00 25.00 N ATOM 1211 CA GLY A 71 22.123 -4.053 11.306 1.00 25.00 C ATOM 1212 C GLY A 71 20.956 -3.076 11.307 1.00 25.00 C ATOM 1213 O GLY A 71 20.106 -3.116 10.401 1.00 25.00 O ATOM 0 H GLY A 71 22.135 -5.414 9.712 1.00 25.00 H new ATOM 0 HA2 GLY A 71 21.869 -4.923 11.912 1.00 25.00 H new ATOM 0 HA3 GLY A 71 22.991 -3.584 11.770 1.00 25.00 H new ATOM 1217 N PRO A 72 20.882 -2.159 12.294 1.00 25.00 N ATOM 1218 CA PRO A 72 19.742 -1.233 12.355 1.00 25.00 C ATOM 1219 C PRO A 72 19.702 -0.211 11.225 1.00 25.00 C ATOM 1220 O PRO A 72 18.684 0.444 11.007 1.00 25.00 O ATOM 1221 CB PRO A 72 19.930 -0.551 13.712 1.00 25.00 C ATOM 1222 CG PRO A 72 21.390 -0.574 13.929 1.00 25.00 C ATOM 1223 CD PRO A 72 21.816 -1.924 13.412 1.00 25.00 C ATOM 0 HA PRO A 72 18.795 -1.761 12.242 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.545 0.469 13.702 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.401 -1.084 14.502 1.00 25.00 H new ATOM 0 HG2 PRO A 72 21.886 0.234 13.391 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.638 -0.454 14.984 1.00 25.00 H new ATOM 0 HD2 PRO A 72 22.853 -1.919 13.078 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.731 -2.695 14.178 1.00 25.00 H new ATOM 1231 N GLU A 73 20.790 -0.115 10.476 1.00 25.00 N ATOM 1232 CA GLU A 73 20.862 0.789 9.336 1.00 25.00 C ATOM 1233 C GLU A 73 19.983 0.281 8.193 1.00 25.00 C ATOM 1234 O GLU A 73 19.567 1.046 7.325 1.00 25.00 O ATOM 1235 CB GLU A 73 22.313 0.908 8.860 1.00 25.00 C ATOM 1236 CG GLU A 73 23.303 1.239 9.981 1.00 25.00 C ATOM 1237 CD GLU A 73 22.883 2.461 10.790 1.00 25.00 C ATOM 1238 OE1 GLU A 73 22.716 3.550 10.199 1.00 25.00 O ATOM 1239 OE2 GLU A 73 22.693 2.319 12.019 1.00 25.00 O ATOM 0 H GLU A 73 21.640 -0.655 10.638 1.00 25.00 H new ATOM 0 HA GLU A 73 20.500 1.770 9.645 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.610 -0.030 8.390 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.373 1.681 8.094 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.393 0.380 10.646 1.00 25.00 H new ATOM 0 HG3 GLU A 73 24.289 1.414 9.550 1.00 25.00 H new ATOM 1246 N LYS A 74 19.691 -1.017 8.200 1.00 25.00 N ATOM 1247 CA LYS A 74 18.847 -1.614 7.163 1.00 25.00 C ATOM 1248 C LYS A 74 17.386 -1.707 7.580 1.00 25.00 C ATOM 1249 O LYS A 74 16.498 -1.463 6.764 1.00 25.00 O ATOM 1250 CB LYS A 74 19.369 -2.998 6.789 1.00 25.00 C ATOM 1251 CG LYS A 74 19.978 -3.056 5.387 1.00 25.00 C ATOM 1252 CD LYS A 74 18.923 -2.948 4.306 1.00 25.00 C ATOM 1253 CE LYS A 74 19.532 -2.983 2.915 1.00 25.00 C ATOM 1254 NZ LYS A 74 18.464 -2.800 1.870 1.00 25.00 N ATOM 0 H LYS A 74 20.023 -1.674 8.906 1.00 25.00 H new ATOM 0 HA LYS A 74 18.896 -0.955 6.296 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.120 -3.304 7.517 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.552 -3.716 6.853 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.700 -2.247 5.271 1.00 25.00 H new ATOM 0 HG3 LYS A 74 20.525 -3.991 5.268 1.00 25.00 H new ATOM 0 HD2 LYS A 74 18.210 -3.766 4.411 1.00 25.00 H new ATOM 0 HD3 LYS A 74 18.365 -2.021 4.435 1.00 25.00 H new ATOM 0 HE2 LYS A 74 20.282 -2.198 2.819 1.00 25.00 H new ATOM 0 HE3 LYS A 74 20.044 -3.933 2.759 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 18.705 -3.357 1.026 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 17.550 -3.122 2.248 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 18.398 -1.794 1.614 1.00 25.00 H new ATOM 1268 N VAL A 75 17.130 -2.023 8.842 1.00 25.00 N ATOM 1269 CA VAL A 75 15.760 -2.006 9.367 1.00 25.00 C ATOM 1270 C VAL A 75 15.808 -1.295 10.709 1.00 25.00 C ATOM 1271 O VAL A 75 16.587 -1.680 11.580 1.00 25.00 O ATOM 1272 CB VAL A 75 15.209 -3.458 9.614 1.00 25.00 C ATOM 1273 CG1 VAL A 75 13.781 -3.435 10.163 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.224 -4.264 8.348 1.00 25.00 C ATOM 0 H VAL A 75 17.842 -2.293 9.521 1.00 25.00 H new ATOM 0 HA VAL A 75 15.110 -1.512 8.645 1.00 25.00 H new ATOM 0 HB VAL A 75 15.867 -3.919 10.351 1.00 25.00 H new ATOM 0 HG11 VAL A 75 13.435 -4.457 10.321 1.00 25.00 H new ATOM 0 HG12 VAL A 75 13.764 -2.896 11.110 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.125 -2.936 9.450 1.00 25.00 H new ATOM 0 HG21 VAL A 75 14.838 -5.263 8.548 1.00 25.00 H new ATOM 0 HG22 VAL A 75 14.599 -3.777 7.599 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.246 -4.338 7.976 1.00 25.00 H new ATOM 1284 N PRO A 76 14.917 -0.317 10.945 1.00 25.00 N ATOM 1285 CA PRO A 76 14.986 0.242 12.295 1.00 25.00 C ATOM 1286 C PRO A 76 14.411 -0.729 13.309 1.00 25.00 C ATOM 1287 O PRO A 76 13.456 -1.439 13.023 1.00 25.00 O ATOM 1288 CB PRO A 76 14.126 1.498 12.190 1.00 25.00 C ATOM 1289 CG PRO A 76 13.136 1.191 11.134 1.00 25.00 C ATOM 1290 CD PRO A 76 13.876 0.340 10.128 1.00 25.00 C ATOM 0 HA PRO A 76 16.004 0.447 12.627 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.637 1.723 13.138 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.727 2.368 11.928 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.277 0.659 11.543 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.756 2.103 10.674 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.217 -0.387 9.654 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.310 0.944 9.331 1.00 25.00 H new ATOM 1298 N VAL A 77 14.938 -0.731 14.521 1.00 25.00 N ATOM 1299 CA VAL A 77 14.441 -1.650 15.544 1.00 25.00 C ATOM 1300 C VAL A 77 12.973 -1.365 15.900 1.00 25.00 C ATOM 1301 O VAL A 77 12.248 -2.251 16.349 1.00 25.00 O ATOM 1302 CB VAL A 77 15.332 -1.625 16.814 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.745 -2.132 16.473 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.420 -0.208 17.406 1.00 25.00 C ATOM 0 H VAL A 77 15.697 -0.120 14.823 1.00 25.00 H new ATOM 0 HA VAL A 77 14.490 -2.653 15.120 1.00 25.00 H new ATOM 0 HB VAL A 77 14.877 -2.279 17.558 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.365 -2.112 17.369 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.684 -3.153 16.097 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.188 -1.491 15.711 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.051 -0.223 18.295 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.850 0.469 16.667 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.422 0.136 17.676 1.00 25.00 H new ATOM 1314 N THR A 78 12.500 -0.154 15.623 1.00 25.00 N ATOM 1315 CA THR A 78 11.094 0.166 15.863 1.00 25.00 C ATOM 1316 C THR A 78 10.191 -0.536 14.859 1.00 25.00 C ATOM 1317 O THR A 78 9.034 -0.785 15.157 1.00 25.00 O ATOM 1318 CB THR A 78 10.812 1.698 15.836 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.526 1.966 16.400 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.837 2.275 14.437 1.00 25.00 C ATOM 0 H THR A 78 13.056 0.610 15.239 1.00 25.00 H new ATOM 0 HA THR A 78 10.870 -0.196 16.867 1.00 25.00 H new ATOM 0 HB THR A 78 11.607 2.167 16.416 1.00 25.00 H new ATOM 0 HG1 THR A 78 8.877 2.112 15.680 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.634 3.345 14.481 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.819 2.110 13.993 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.076 1.786 13.828 1.00 25.00 H new ATOM 1328 N ALA A 79 10.707 -0.904 13.692 1.00 25.00 N ATOM 1329 CA ALA A 79 9.875 -1.594 12.712 1.00 25.00 C ATOM 1330 C ALA A 79 9.412 -2.943 13.261 1.00 25.00 C ATOM 1331 O ALA A 79 8.284 -3.335 13.031 1.00 25.00 O ATOM 1332 CB ALA A 79 10.620 -1.775 11.406 1.00 25.00 C ATOM 0 H ALA A 79 11.672 -0.742 13.405 1.00 25.00 H new ATOM 0 HA ALA A 79 8.995 -0.981 12.517 1.00 25.00 H new ATOM 0 HB1 ALA A 79 9.980 -2.292 10.691 1.00 25.00 H new ATOM 0 HB2 ALA A 79 10.897 -0.799 11.007 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.520 -2.365 11.579 1.00 25.00 H new ATOM 1338 N PHE A 80 10.254 -3.620 14.030 1.00 25.00 N ATOM 1339 CA PHE A 80 9.867 -4.899 14.637 1.00 25.00 C ATOM 1340 C PHE A 80 8.817 -4.691 15.725 1.00 25.00 C ATOM 1341 O PHE A 80 7.955 -5.534 15.951 1.00 25.00 O ATOM 1342 CB PHE A 80 11.080 -5.586 15.260 1.00 25.00 C ATOM 1343 CG PHE A 80 12.143 -5.948 14.268 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.076 -7.163 13.561 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.229 -5.084 14.042 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.084 -7.517 12.637 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.243 -5.422 13.122 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.168 -6.645 12.416 1.00 25.00 C ATOM 0 H PHE A 80 11.202 -3.314 14.250 1.00 25.00 H new ATOM 0 HA PHE A 80 9.453 -5.523 13.845 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.510 -4.929 16.016 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.751 -6.490 15.773 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.245 -7.832 13.727 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.287 -4.149 14.580 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.024 -8.453 12.102 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.073 -4.750 12.957 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.940 -6.910 11.709 1.00 25.00 H new ATOM 1358 N SER A 81 8.884 -3.553 16.394 1.00 25.00 N ATOM 1359 CA SER A 81 7.930 -3.235 17.459 1.00 25.00 C ATOM 1360 C SER A 81 6.579 -2.923 16.827 1.00 25.00 C ATOM 1361 O SER A 81 5.541 -3.425 17.251 1.00 25.00 O ATOM 1362 CB SER A 81 8.423 -2.040 18.279 1.00 25.00 C ATOM 1363 OG SER A 81 7.534 -1.759 19.343 1.00 25.00 O ATOM 0 H SER A 81 9.585 -2.831 16.224 1.00 25.00 H new ATOM 0 HA SER A 81 7.834 -4.087 18.132 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.416 -2.250 18.675 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.515 -1.165 17.636 1.00 25.00 H new ATOM 0 HG SER A 81 7.868 -0.993 19.855 1.00 25.00 H new ATOM 1369 N TYR A 82 6.612 -2.153 15.752 1.00 25.00 N ATOM 1370 CA TYR A 82 5.409 -1.836 14.999 1.00 25.00 C ATOM 1371 C TYR A 82 4.833 -3.096 14.384 1.00 25.00 C ATOM 1372 O TYR A 82 3.631 -3.297 14.379 1.00 25.00 O ATOM 1373 CB TYR A 82 5.736 -0.833 13.900 1.00 25.00 C ATOM 1374 CG TYR A 82 5.466 0.583 14.328 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.455 1.360 14.976 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.203 1.152 14.105 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.175 2.689 15.391 1.00 25.00 C ATOM 1378 CE2 TYR A 82 3.922 2.488 14.511 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.912 3.239 15.149 1.00 25.00 C ATOM 1380 OH TYR A 82 4.647 4.528 15.541 1.00 25.00 O ATOM 0 H TYR A 82 7.464 -1.734 15.379 1.00 25.00 H new ATOM 0 HA TYR A 82 4.673 -1.402 15.676 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.784 -0.933 13.619 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.145 -1.062 13.013 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.433 0.938 15.157 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.434 0.570 13.619 1.00 25.00 H new ATOM 0 HE1 TYR A 82 6.934 3.272 15.891 1.00 25.00 H new ATOM 0 HE2 TYR A 82 2.949 2.918 14.327 1.00 25.00 H new ATOM 0 HH TYR A 82 3.726 4.761 15.300 1.00 25.00 H new ATOM 1390 N TRP A 83 5.701 -3.963 13.898 1.00 25.00 N ATOM 1391 CA TRP A 83 5.284 -5.221 13.304 1.00 25.00 C ATOM 1392 C TRP A 83 4.543 -6.083 14.320 1.00 25.00 C ATOM 1393 O TRP A 83 3.545 -6.727 13.992 1.00 25.00 O ATOM 1394 CB TRP A 83 6.521 -5.968 12.806 1.00 25.00 C ATOM 1395 CG TRP A 83 6.262 -7.365 12.346 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.851 -7.771 11.119 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.424 -8.577 13.113 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.741 -9.127 11.049 1.00 25.00 N ATOM 1399 CE2 TRP A 83 6.098 -9.662 12.254 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.820 -8.856 14.438 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 6.180 -10.998 12.672 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.905 -10.204 14.860 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.588 -11.262 13.965 1.00 25.00 C ATOM 0 H TRP A 83 6.711 -3.817 13.903 1.00 25.00 H new ATOM 0 HA TRP A 83 4.608 -5.013 12.474 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.962 -5.405 11.984 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.260 -5.995 13.607 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.637 -7.102 10.299 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.441 -9.656 10.230 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.055 -8.052 15.120 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.930 -11.803 11.997 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 7.213 -10.431 15.870 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.667 -12.286 14.300 1.00 25.00 H new ATOM 1414 N ASN A 84 5.012 -6.065 15.563 1.00 25.00 N ATOM 1415 CA ASN A 84 4.387 -6.836 16.636 1.00 25.00 C ATOM 1416 C ASN A 84 2.976 -6.336 16.946 1.00 25.00 C ATOM 1417 O ASN A 84 2.133 -7.112 17.386 1.00 25.00 O ATOM 1418 CB ASN A 84 5.238 -6.788 17.910 1.00 25.00 C ATOM 1419 CG ASN A 84 6.175 -7.964 18.024 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.758 -9.072 18.334 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.432 -7.742 17.773 1.00 25.00 N ATOM 0 H ASN A 84 5.826 -5.523 15.855 1.00 25.00 H new ATOM 0 HA ASN A 84 4.317 -7.866 16.287 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.817 -5.864 17.922 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.582 -6.765 18.780 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.106 -8.505 17.832 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.743 -6.805 17.517 1.00 25.00 H new ATOM 1428 N LEU A 85 2.697 -5.067 16.676 1.00 25.00 N ATOM 1429 CA LEU A 85 1.350 -4.536 16.882 1.00 25.00 C ATOM 1430 C LEU A 85 0.396 -5.176 15.883 1.00 25.00 C ATOM 1431 O LEU A 85 -0.691 -5.598 16.232 1.00 25.00 O ATOM 1432 CB LEU A 85 1.329 -3.010 16.714 1.00 25.00 C ATOM 1433 CG LEU A 85 -0.057 -2.341 16.742 1.00 25.00 C ATOM 1434 CD1 LEU A 85 -0.819 -2.633 18.019 1.00 25.00 C ATOM 1435 CD2 LEU A 85 0.103 -0.830 16.566 1.00 25.00 C ATOM 0 H LEU A 85 3.373 -4.392 16.319 1.00 25.00 H new ATOM 0 HA LEU A 85 1.035 -4.772 17.899 1.00 25.00 H new ATOM 0 HB2 LEU A 85 1.937 -2.570 17.504 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.809 -2.763 15.767 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.639 -2.759 15.920 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -1.789 -2.137 17.985 1.00 25.00 H new ATOM 0 HD12 LEU A 85 -0.965 -3.709 18.118 1.00 25.00 H new ATOM 0 HD13 LEU A 85 -0.252 -2.264 18.874 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -0.878 -0.355 16.586 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.715 -0.432 17.376 1.00 25.00 H new ATOM 0 HD23 LEU A 85 0.586 -0.624 15.611 1.00 25.00 H new ATOM 1447 N ILE A 86 0.798 -5.277 14.629 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.089 -5.882 13.644 1.00 25.00 C ATOM 1449 C ILE A 86 -0.133 -7.392 13.886 1.00 25.00 C ATOM 1450 O ILE A 86 -1.144 -8.048 13.656 1.00 25.00 O ATOM 1451 CB ILE A 86 0.338 -5.577 12.199 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.418 -4.059 11.982 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.671 -6.166 11.215 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.814 -3.585 11.686 1.00 25.00 C ATOM 0 H ILE A 86 1.700 -4.961 14.274 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.082 -5.450 13.766 1.00 25.00 H new ATOM 0 HB ILE A 86 1.317 -6.024 12.028 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.238 -3.779 11.158 1.00 25.00 H new ATOM 0 HG13 ILE A 86 0.047 -3.549 12.871 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.357 -5.943 10.195 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.724 -7.246 11.351 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.653 -5.729 11.396 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.809 -2.505 11.542 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.468 -3.836 12.521 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.179 -4.070 10.780 1.00 25.00 H new ATOM 1466 N LYS A 87 0.958 -7.934 14.406 1.00 25.00 N ATOM 1467 CA LYS A 87 1.041 -9.359 14.711 1.00 25.00 C ATOM 1468 C LYS A 87 -0.053 -9.761 15.691 1.00 25.00 C ATOM 1469 O LYS A 87 -0.790 -10.695 15.425 1.00 25.00 O ATOM 1470 CB LYS A 87 2.417 -9.674 15.294 1.00 25.00 C ATOM 1471 CG LYS A 87 2.739 -11.133 15.457 1.00 25.00 C ATOM 1472 CD LYS A 87 3.964 -11.269 16.349 1.00 25.00 C ATOM 1473 CE LYS A 87 3.568 -11.707 17.759 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.757 -11.726 18.677 1.00 25.00 N ATOM 0 H LYS A 87 1.803 -7.408 14.627 1.00 25.00 H new ATOM 0 HA LYS A 87 0.900 -9.928 13.792 1.00 25.00 H new ATOM 0 HB2 LYS A 87 3.174 -9.223 14.653 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.497 -9.192 16.269 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.892 -11.659 15.897 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.928 -11.589 14.485 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.653 -11.996 15.919 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.493 -10.317 16.395 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.811 -11.029 18.154 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.119 -12.699 17.721 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 4.441 -11.911 19.650 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.414 -12.475 18.378 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.240 -10.806 18.639 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.185 -9.046 16.801 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.228 -9.374 17.781 1.00 25.00 C ATOM 1490 C GLU A 88 -2.621 -9.091 17.208 1.00 25.00 C ATOM 1491 O GLU A 88 -3.586 -9.777 17.539 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.015 -8.611 19.109 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.129 -7.087 19.002 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.953 -6.355 20.327 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -0.602 -6.985 21.342 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -1.163 -5.117 20.344 1.00 25.00 O ATOM 0 H GLU A 88 0.402 -8.249 17.048 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.156 -10.440 17.997 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.746 -8.965 19.836 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.029 -8.861 19.501 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.380 -6.726 18.298 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.105 -6.835 18.587 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.723 -8.111 16.320 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.012 -7.749 15.737 1.00 25.00 C ATOM 1505 C LEU A 89 -4.541 -8.824 14.793 1.00 25.00 C ATOM 1506 O LEU A 89 -5.726 -9.137 14.815 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.913 -6.405 15.011 1.00 25.00 C ATOM 1508 CG LEU A 89 -3.894 -5.162 15.925 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.527 -3.917 15.112 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.243 -4.933 16.621 1.00 25.00 C ATOM 0 H LEU A 89 -1.935 -7.554 15.988 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.723 -7.661 16.558 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.007 -6.404 14.405 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.756 -6.318 14.325 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.144 -5.342 16.696 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.516 -3.045 15.766 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.540 -4.050 14.669 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.263 -3.769 14.322 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.181 -4.047 17.253 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.020 -4.789 15.870 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.488 -5.800 17.234 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.674 -9.407 13.980 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.100 -10.472 13.070 1.00 25.00 C ATOM 1524 C ILE A 90 -4.277 -11.767 13.864 1.00 25.00 C ATOM 1525 O ILE A 90 -5.217 -12.522 13.629 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.079 -10.721 11.922 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.889 -9.453 11.068 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.576 -11.851 10.988 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.697 -9.546 10.111 1.00 25.00 C ATOM 0 H ILE A 90 -2.684 -9.169 13.927 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.039 -10.156 12.615 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.134 -11.001 12.387 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.796 -9.271 10.492 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.752 -8.596 11.727 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -2.849 -12.011 10.192 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.695 -12.771 11.561 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.535 -11.568 10.553 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.617 -8.622 9.538 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.782 -9.698 10.683 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.842 -10.384 9.429 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.392 -12.017 14.817 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.451 -13.246 15.619 1.00 25.00 C ATOM 1543 C ASP A 91 -4.768 -13.339 16.384 1.00 25.00 C ATOM 1544 O ASP A 91 -5.283 -14.425 16.623 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.285 -13.291 16.605 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.147 -14.641 17.274 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.797 -15.619 16.580 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.344 -14.718 18.508 1.00 25.00 O ATOM 0 H ASP A 91 -2.623 -11.392 15.059 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.383 -14.093 14.937 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.360 -13.052 16.080 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.427 -12.524 17.366 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.333 -12.187 16.727 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.615 -12.135 17.428 1.00 25.00 C ATOM 1555 C LYS A 92 -7.695 -11.427 16.614 1.00 25.00 C ATOM 1556 O LYS A 92 -8.614 -10.831 17.173 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.423 -11.489 18.807 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.573 -12.350 19.753 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.362 -13.572 20.254 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.457 -14.621 20.881 1.00 25.00 C ATOM 1561 NZ LYS A 92 -4.751 -15.415 19.814 1.00 25.00 N ATOM 0 H LYS A 92 -4.924 -11.273 16.531 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.969 -13.157 17.565 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.949 -10.515 18.684 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.399 -11.314 19.260 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.673 -12.682 19.236 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.249 -11.750 20.603 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -7.103 -13.249 20.986 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.908 -14.016 19.422 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.724 -14.138 21.528 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -6.046 -15.289 21.510 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.492 -16.349 20.191 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -5.382 -15.534 18.996 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -3.891 -14.911 19.518 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.637 -11.566 15.293 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.689 -11.021 14.410 1.00 25.00 C ATOM 1577 C LYS A 93 -10.018 -11.718 14.704 1.00 25.00 C ATOM 1578 O LYS A 93 -11.083 -11.183 14.447 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.302 -11.194 12.927 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.291 -12.660 12.427 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.397 -12.852 11.188 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.955 -12.229 9.915 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.066 -13.038 9.310 1.00 25.00 N ATOM 0 H LYS A 93 -6.882 -12.046 14.803 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.796 -9.954 14.606 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -8.998 -10.621 12.315 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.313 -10.764 12.771 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.942 -13.311 13.228 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.309 -12.967 12.188 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -6.416 -12.421 11.391 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.248 -13.919 11.022 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -8.321 -11.226 10.137 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.152 -12.121 9.186 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -8.836 -13.258 8.320 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.182 -13.923 9.844 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -9.951 -12.494 9.346 1.00 25.00 H new ATOM 1597 N GLU A 94 -9.918 -12.900 15.290 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.066 -13.716 15.682 1.00 25.00 C ATOM 1599 C GLU A 94 -11.969 -13.046 16.728 1.00 25.00 C ATOM 1600 O GLU A 94 -13.167 -13.294 16.752 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.545 -15.060 16.227 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.429 -14.915 17.292 1.00 25.00 C ATOM 1603 CD GLU A 94 -8.885 -16.249 17.790 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.177 -17.294 17.175 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.116 -16.233 18.783 1.00 25.00 O ATOM 0 H GLU A 94 -9.021 -13.332 15.513 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.685 -13.857 14.796 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.378 -15.613 16.661 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.166 -15.655 15.396 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.610 -14.332 16.871 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.818 -14.351 18.140 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.402 -12.189 17.570 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.168 -11.517 18.632 1.00 25.00 C ATOM 1614 C VAL A 95 -12.073 -9.998 18.502 1.00 25.00 C ATOM 1615 O VAL A 95 -12.497 -9.255 19.383 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.678 -11.957 20.049 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.985 -13.445 20.284 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.166 -11.704 20.220 1.00 25.00 C ATOM 0 H VAL A 95 -10.414 -11.938 17.544 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.210 -11.815 18.516 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.213 -11.358 20.786 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.638 -13.736 21.275 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.060 -13.610 20.213 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.475 -14.045 19.530 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.855 -12.020 21.216 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.615 -12.272 19.470 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.959 -10.641 20.095 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.524 -9.537 17.389 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.372 -8.104 17.138 1.00 25.00 C ATOM 1630 C ASN A 96 -12.030 -7.739 15.804 1.00 25.00 C ATOM 1631 O ASN A 96 -11.371 -7.712 14.759 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.888 -7.727 17.142 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.668 -6.230 17.122 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -10.387 -5.478 16.469 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.681 -5.786 17.848 1.00 25.00 N ATOM 0 H ASN A 96 -11.174 -10.134 16.640 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.867 -7.541 17.930 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.412 -8.149 18.027 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.401 -8.174 16.275 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.486 -4.786 17.886 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.104 -6.439 18.378 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.347 -7.460 15.816 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.006 -7.191 14.532 1.00 25.00 C ATOM 1644 C PRO A 97 -13.579 -5.890 13.848 1.00 25.00 C ATOM 1645 O PRO A 97 -13.691 -5.772 12.628 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.490 -7.159 14.911 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.499 -6.718 16.325 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.311 -7.412 16.934 1.00 25.00 C ATOM 0 HA PRO A 97 -13.742 -7.946 13.791 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.048 -6.470 14.276 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.950 -8.140 14.798 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.412 -5.634 16.405 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.425 -7.001 16.825 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.914 -6.860 17.786 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.565 -8.410 17.291 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.057 -4.932 14.607 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.626 -3.662 14.022 1.00 25.00 C ATOM 1658 C GLN A 98 -11.466 -3.913 13.093 1.00 25.00 C ATOM 1659 O GLN A 98 -11.431 -3.410 11.970 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.169 -2.670 15.096 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.278 -1.809 15.660 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.218 -2.585 16.560 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -15.247 -3.063 16.130 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -13.852 -2.729 17.808 1.00 25.00 N ATOM 0 H GLN A 98 -12.922 -5.006 15.615 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.476 -3.237 13.489 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -11.704 -3.224 15.912 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.401 -2.022 14.673 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.842 -0.983 16.222 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -13.846 -1.371 14.839 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -12.980 -2.313 18.135 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -14.439 -3.257 18.454 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.492 -4.679 13.561 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.328 -4.924 12.739 1.00 25.00 C ATOM 1675 C VAL A 99 -9.627 -6.006 11.717 1.00 25.00 C ATOM 1676 O VAL A 99 -9.130 -5.939 10.623 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.053 -5.226 13.572 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -7.994 -6.687 14.027 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -6.813 -4.868 12.756 1.00 25.00 C ATOM 0 H VAL A 99 -10.486 -5.127 14.477 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.102 -4.004 12.200 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.087 -4.614 14.473 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.085 -6.851 14.606 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.864 -6.911 14.645 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -7.991 -7.340 13.154 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -5.918 -5.080 13.341 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -6.796 -5.460 11.841 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -6.838 -3.808 12.503 1.00 25.00 H new ATOM 1689 N MET A 100 -10.497 -6.956 12.035 1.00 25.00 N ATOM 1690 CA MET A 100 -10.877 -8.005 11.083 1.00 25.00 C ATOM 1691 C MET A 100 -11.452 -7.397 9.809 1.00 25.00 C ATOM 1692 O MET A 100 -11.093 -7.804 8.705 1.00 25.00 O ATOM 1693 CB MET A 100 -11.897 -8.939 11.736 1.00 25.00 C ATOM 1694 CG MET A 100 -12.560 -9.946 10.806 1.00 25.00 C ATOM 1695 SD MET A 100 -11.388 -11.010 9.962 1.00 25.00 S ATOM 1696 CE MET A 100 -12.060 -10.970 8.278 1.00 25.00 C ATOM 0 H MET A 100 -10.956 -7.026 12.943 1.00 25.00 H new ATOM 0 HA MET A 100 -9.988 -8.575 10.811 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.401 -9.485 12.538 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.675 -8.331 12.198 1.00 25.00 H new ATOM 0 HG2 MET A 100 -13.251 -10.562 11.382 1.00 25.00 H new ATOM 0 HG3 MET A 100 -13.153 -9.410 10.065 1.00 25.00 H new ATOM 0 HE1 MET A 100 -11.322 -11.370 7.582 1.00 25.00 H new ATOM 0 HE2 MET A 100 -12.966 -11.574 8.233 1.00 25.00 H new ATOM 0 HE3 MET A 100 -12.296 -9.942 8.005 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.286 -6.378 9.952 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.837 -5.699 8.788 1.00 25.00 C ATOM 1708 C ALA A 101 -11.719 -5.036 7.973 1.00 25.00 C ATOM 1709 O ALA A 101 -11.785 -4.984 6.756 1.00 25.00 O ATOM 1710 CB ALA A 101 -13.863 -4.653 9.231 1.00 25.00 C ATOM 0 H ALA A 101 -12.593 -6.006 10.851 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.333 -6.435 8.155 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.271 -4.149 8.355 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.670 -5.143 9.776 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.380 -3.921 9.878 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.690 -4.545 8.650 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.589 -3.872 7.982 1.00 25.00 C ATOM 1718 C ALA A 102 -8.684 -4.906 7.309 1.00 25.00 C ATOM 1719 O ALA A 102 -8.106 -4.636 6.267 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.798 -3.024 8.993 1.00 25.00 C ATOM 0 H ALA A 102 -10.596 -4.601 9.664 1.00 25.00 H new ATOM 0 HA ALA A 102 -9.983 -3.206 7.215 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.975 -2.524 8.483 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.457 -2.278 9.437 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.401 -3.669 9.777 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.578 -6.096 7.884 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.775 -7.157 7.278 1.00 25.00 C ATOM 1728 C VAL A 103 -8.409 -7.519 5.948 1.00 25.00 C ATOM 1729 O VAL A 103 -7.737 -7.531 4.921 1.00 25.00 O ATOM 1730 CB VAL A 103 -7.702 -8.432 8.177 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -6.984 -9.563 7.445 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -6.972 -8.122 9.493 1.00 25.00 C ATOM 0 H VAL A 103 -9.032 -6.353 8.761 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.756 -6.792 7.152 1.00 25.00 H new ATOM 0 HB VAL A 103 -8.721 -8.746 8.402 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -6.943 -10.443 8.087 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.525 -9.806 6.531 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -5.971 -9.249 7.194 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -6.931 -9.022 10.107 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -5.959 -7.784 9.276 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.508 -7.340 10.031 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.715 -7.757 5.969 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.440 -8.127 4.761 1.00 25.00 C ATOM 1744 C ALA A 104 -10.348 -7.010 3.724 1.00 25.00 C ATOM 1745 O ALA A 104 -10.077 -7.260 2.561 1.00 25.00 O ATOM 1746 CB ALA A 104 -11.900 -8.426 5.101 1.00 25.00 C ATOM 0 H ALA A 104 -10.292 -7.700 6.808 1.00 25.00 H new ATOM 0 HA ALA A 104 -9.989 -9.024 4.338 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.436 -8.702 4.193 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -11.946 -9.249 5.814 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.360 -7.540 5.539 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.535 -5.774 4.155 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.445 -4.642 3.244 1.00 25.00 C ATOM 1754 C GLN A 105 -9.051 -4.497 2.647 1.00 25.00 C ATOM 1755 O GLN A 105 -8.917 -4.151 1.482 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.829 -3.354 3.960 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.333 -3.171 4.071 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.708 -1.860 4.716 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.884 -1.185 5.318 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.954 -1.488 4.591 1.00 25.00 N ATOM 0 H GLN A 105 -10.748 -5.528 5.122 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.142 -4.831 2.428 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.392 -3.354 4.959 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.402 -2.505 3.426 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.777 -3.223 3.077 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.754 -3.992 4.652 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -14.613 -2.077 4.082 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -14.268 -0.609 5.002 1.00 25.00 H new ATOM 1769 N THR A 106 -8.006 -4.778 3.411 1.00 25.00 N ATOM 1770 CA THR A 106 -6.660 -4.671 2.867 1.00 25.00 C ATOM 1771 C THR A 106 -6.482 -5.762 1.811 1.00 25.00 C ATOM 1772 O THR A 106 -5.929 -5.511 0.746 1.00 25.00 O ATOM 1773 CB THR A 106 -5.582 -4.798 3.963 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.845 -3.860 5.008 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.208 -4.480 3.420 1.00 25.00 C ATOM 0 H THR A 106 -8.059 -5.075 4.385 1.00 25.00 H new ATOM 0 HA THR A 106 -6.536 -3.684 2.421 1.00 25.00 H new ATOM 0 HB THR A 106 -5.610 -5.824 4.329 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.696 -4.082 5.440 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.470 -4.578 4.216 1.00 25.00 H new ATOM 0 HG22 THR A 106 -3.966 -5.173 2.614 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.195 -3.459 3.038 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.008 -6.952 2.073 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.943 -8.044 1.098 1.00 25.00 C ATOM 1785 C GLU A 107 -7.692 -7.669 -0.185 1.00 25.00 C ATOM 1786 O GLU A 107 -7.220 -7.965 -1.276 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.525 -9.341 1.686 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.657 -9.943 2.780 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.264 -11.186 3.420 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.303 -11.082 4.106 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.640 -12.269 3.298 1.00 25.00 O ATOM 0 H GLU A 107 -7.482 -7.189 2.945 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.894 -8.213 0.856 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.517 -9.137 2.089 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.650 -10.071 0.886 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.683 -10.198 2.362 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.486 -9.193 3.552 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.835 -7.005 -0.064 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.613 -6.570 -1.234 1.00 25.00 C ATOM 1800 C GLU A 108 -8.869 -5.511 -2.055 1.00 25.00 C ATOM 1801 O GLU A 108 -8.788 -5.600 -3.281 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.951 -5.964 -0.791 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.958 -6.967 -0.251 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.234 -6.285 0.235 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.153 -5.431 1.150 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.314 -6.588 -0.311 1.00 25.00 O ATOM 0 H GLU A 108 -9.251 -6.752 0.832 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.772 -7.456 -1.849 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.758 -5.215 -0.023 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.397 -5.444 -1.639 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.206 -7.688 -1.030 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.509 -7.526 0.570 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.336 -4.506 -1.376 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.652 -3.391 -2.045 1.00 25.00 C ATOM 1815 C ILE A 109 -6.410 -3.897 -2.758 1.00 25.00 C ATOM 1816 O ILE A 109 -6.087 -3.437 -3.850 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.284 -2.276 -1.021 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.577 -1.618 -0.511 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.368 -1.185 -1.655 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.416 -0.875 0.784 1.00 25.00 C ATOM 0 H ILE A 109 -8.360 -4.433 -0.359 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.327 -2.959 -2.783 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.735 -2.738 -0.200 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.945 -0.928 -1.270 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.338 -2.388 -0.384 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -6.135 -0.426 -0.908 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.444 -1.645 -2.006 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.884 -0.720 -2.495 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.372 -0.440 1.075 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -8.079 -1.563 1.559 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.680 -0.081 0.659 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.747 -4.885 -2.182 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.561 -5.471 -2.802 1.00 25.00 C ATOM 1834 C LEU A 110 -4.862 -6.099 -4.164 1.00 25.00 C ATOM 1835 O LEU A 110 -4.032 -6.026 -5.062 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.947 -6.504 -1.856 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.777 -6.017 -0.973 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.899 -4.570 -0.441 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.625 -6.971 0.209 1.00 25.00 C ATOM 0 H LEU A 110 -6.006 -5.301 -1.287 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.848 -4.666 -2.981 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.735 -6.880 -1.203 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.597 -7.347 -2.452 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.902 -6.012 -1.622 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.026 -4.331 0.166 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.958 -3.877 -1.281 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.799 -4.481 0.167 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.802 -6.639 0.841 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.547 -6.981 0.790 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.417 -7.976 -0.159 1.00 25.00 H new ATOM 1851 N LYS A 111 -6.059 -6.647 -4.350 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.450 -7.201 -5.657 1.00 25.00 C ATOM 1853 C LYS A 111 -6.586 -6.107 -6.705 1.00 25.00 C ATOM 1854 O LYS A 111 -6.338 -6.332 -7.880 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.801 -7.935 -5.568 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.917 -8.949 -4.440 1.00 25.00 C ATOM 1857 CD LYS A 111 -6.954 -10.119 -4.593 1.00 25.00 C ATOM 1858 CE LYS A 111 -6.306 -10.482 -3.266 1.00 25.00 C ATOM 1859 NZ LYS A 111 -7.286 -10.780 -2.168 1.00 25.00 N ATOM 0 H LYS A 111 -6.773 -6.723 -3.626 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.662 -7.897 -5.945 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.591 -7.194 -5.451 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.981 -8.446 -6.514 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.727 -8.451 -3.489 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -8.938 -9.328 -4.403 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -7.489 -10.983 -4.987 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -6.182 -9.864 -5.319 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -5.665 -11.351 -3.412 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -5.662 -9.661 -2.951 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -6.792 -11.242 -1.378 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -7.716 -9.893 -1.836 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.030 -11.412 -2.528 1.00 25.00 H new