USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 640 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 5 HIS : no HE2:sc= 1.15 K(o=1.2,f=-5!) USER MOD Set 1.2: A 6 SER OG : rot -170:sc= 0.00525 USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= -0.0128 (180deg=-0.144) USER MOD Single : A 8 SER OG : rot -17:sc= 1 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -89:sc= 0.673 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 68:sc= 0.695 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.13) USER MOD Single : A 44 THR OG1 : rot -140:sc= -1.67! USER MOD Single : A 46 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-7.2!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 40:sc= 1.19 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.747 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 1.05 (180deg=0.852) USER MOD Single : A 78 ASN : amide:sc= 0.931 K(o=0.93,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= -0.925 (180deg=-1.54!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= -0.0336 (180deg=-0.304) USER MOD Single : A 85 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.486 12.098 -3.335 1.00 0.00 N ATOM 36 CA LYS A 4 8.111 12.256 -3.041 1.00 0.00 C ATOM 37 C LYS A 4 7.953 12.947 -1.707 1.00 0.00 C ATOM 38 O LYS A 4 8.841 12.866 -0.855 1.00 0.00 O ATOM 39 CB LYS A 4 7.351 10.923 -3.139 1.00 0.00 C ATOM 40 CG LYS A 4 7.993 9.704 -2.452 1.00 0.00 C ATOM 41 CD LYS A 4 7.335 9.337 -1.127 1.00 0.00 C ATOM 42 CE LYS A 4 7.837 10.149 0.043 1.00 0.00 C ATOM 43 NZ LYS A 4 9.235 9.839 0.393 1.00 0.00 N ATOM 0 HA LYS A 4 7.652 12.897 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.357 11.067 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.216 10.686 -4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.940 8.848 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.050 9.909 -2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.257 9.472 -1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.508 8.280 -0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.753 11.210 -0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.201 9.964 0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.450 10.221 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.371 8.808 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.872 10.269 -0.308 1.00 0.00 H new ATOM 57 N HIS A 5 6.877 13.641 -1.522 1.00 0.00 N ATOM 58 CA HIS A 5 6.677 14.369 -0.275 1.00 0.00 C ATOM 59 C HIS A 5 5.779 13.591 0.702 1.00 0.00 C ATOM 60 O HIS A 5 5.912 13.719 1.919 1.00 0.00 O ATOM 61 CB HIS A 5 6.144 15.799 -0.546 1.00 0.00 C ATOM 62 CG HIS A 5 4.777 15.859 -1.159 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.485 15.443 -2.439 1.00 0.00 N ATOM 64 CD2 HIS A 5 3.602 16.247 -0.621 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.189 15.574 -2.632 1.00 0.00 C ATOM 66 NE2 HIS A 5 2.593 16.063 -1.558 1.00 0.00 N ATOM 0 H HIS A 5 6.120 13.730 -2.200 1.00 0.00 H new ATOM 0 HA HIS A 5 7.648 14.470 0.210 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.129 16.349 0.395 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.844 16.313 -1.205 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.158 15.093 -3.121 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.468 16.638 0.377 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.679 15.316 -3.548 1.00 0.00 H new ATOM 74 N SER A 6 4.904 12.760 0.170 1.00 0.00 N ATOM 75 CA SER A 6 3.979 11.995 0.981 1.00 0.00 C ATOM 76 C SER A 6 3.474 10.816 0.175 1.00 0.00 C ATOM 77 O SER A 6 3.969 10.566 -0.925 1.00 0.00 O ATOM 78 CB SER A 6 2.796 12.890 1.352 1.00 0.00 C ATOM 79 OG SER A 6 2.143 13.368 0.176 1.00 0.00 O ATOM 0 H SER A 6 4.815 12.597 -0.833 1.00 0.00 H new ATOM 0 HA SER A 6 4.477 11.639 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.089 12.332 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.143 13.732 1.950 1.00 0.00 H new ATOM 0 HG SER A 6 1.493 14.059 0.421 1.00 0.00 H new ATOM 85 N ILE A 7 2.510 10.090 0.718 1.00 0.00 N ATOM 86 CA ILE A 7 1.830 9.041 -0.015 1.00 0.00 C ATOM 87 C ILE A 7 0.914 9.691 -1.072 1.00 0.00 C ATOM 88 O ILE A 7 0.661 9.129 -2.126 1.00 0.00 O ATOM 89 CB ILE A 7 0.988 8.122 0.932 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.394 6.943 0.155 1.00 0.00 C ATOM 91 CG2 ILE A 7 -0.117 8.912 1.634 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.392 5.994 1.019 1.00 0.00 C ATOM 0 H ILE A 7 2.180 10.212 1.675 1.00 0.00 H new ATOM 0 HA ILE A 7 2.578 8.411 -0.495 1.00 0.00 H new ATOM 0 HB ILE A 7 1.659 7.731 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.254 7.326 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.200 6.396 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.684 8.246 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.328 9.709 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.784 9.345 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.784 5.183 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.257 5.583 1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.219 6.528 1.487 1.00 0.00 H new ATOM 104 N SER A 8 0.497 10.934 -0.794 1.00 0.00 N ATOM 105 CA SER A 8 -0.398 11.683 -1.651 1.00 0.00 C ATOM 106 C SER A 8 0.358 12.266 -2.851 1.00 0.00 C ATOM 107 O SER A 8 -0.210 12.968 -3.692 1.00 0.00 O ATOM 108 CB SER A 8 -1.095 12.768 -0.816 1.00 0.00 C ATOM 109 OG SER A 8 -1.695 12.179 0.317 1.00 0.00 O ATOM 0 H SER A 8 0.781 11.442 0.043 1.00 0.00 H new ATOM 0 HA SER A 8 -1.162 11.022 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.373 13.523 -0.506 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.849 13.276 -1.417 1.00 0.00 H new ATOM 0 HG SER A 8 -1.768 11.211 0.183 1.00 0.00 H new ATOM 115 N ASP A 9 1.648 11.987 -2.890 1.00 0.00 N ATOM 116 CA ASP A 9 2.503 12.323 -4.022 1.00 0.00 C ATOM 117 C ASP A 9 2.212 11.323 -5.140 1.00 0.00 C ATOM 118 O ASP A 9 2.246 11.650 -6.331 1.00 0.00 O ATOM 119 CB ASP A 9 3.964 12.188 -3.590 1.00 0.00 C ATOM 120 CG ASP A 9 4.970 12.765 -4.561 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.216 12.176 -5.623 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.597 13.790 -4.213 1.00 0.00 O ATOM 0 H ASP A 9 2.140 11.516 -2.131 1.00 0.00 H new ATOM 0 HA ASP A 9 2.317 13.341 -4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.089 12.679 -2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.188 11.132 -3.442 1.00 0.00 H new ATOM 127 N TYR A 10 1.882 10.111 -4.725 1.00 0.00 N ATOM 128 CA TYR A 10 1.575 9.014 -5.621 1.00 0.00 C ATOM 129 C TYR A 10 0.105 9.036 -5.944 1.00 0.00 C ATOM 130 O TYR A 10 -0.717 9.372 -5.089 1.00 0.00 O ATOM 131 CB TYR A 10 1.884 7.662 -4.952 1.00 0.00 C ATOM 132 CG TYR A 10 3.346 7.328 -4.731 1.00 0.00 C ATOM 133 CD1 TYR A 10 4.133 8.029 -3.817 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.929 6.269 -5.415 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.447 7.681 -3.605 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.247 5.921 -5.209 1.00 0.00 C ATOM 137 CZ TYR A 10 6.001 6.629 -4.302 1.00 0.00 C ATOM 138 OH TYR A 10 7.314 6.277 -4.077 1.00 0.00 O ATOM 0 H TYR A 10 1.820 9.860 -3.738 1.00 0.00 H new ATOM 0 HA TYR A 10 2.180 9.128 -6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.380 7.638 -3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.443 6.873 -5.561 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.705 8.855 -3.269 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.338 5.707 -6.123 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.044 8.232 -2.893 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.684 5.099 -5.756 1.00 0.00 H new ATOM 0 HH TYR A 10 7.551 5.516 -4.647 1.00 0.00 H new ATOM 148 N THR A 11 -0.237 8.703 -7.156 1.00 0.00 N ATOM 149 CA THR A 11 -1.627 8.579 -7.518 1.00 0.00 C ATOM 150 C THR A 11 -2.121 7.208 -7.069 1.00 0.00 C ATOM 151 O THR A 11 -1.289 6.338 -6.740 1.00 0.00 O ATOM 152 CB THR A 11 -1.831 8.772 -9.038 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.983 7.877 -9.771 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.528 10.203 -9.452 1.00 0.00 C ATOM 0 H THR A 11 0.422 8.512 -7.911 1.00 0.00 H new ATOM 0 HA THR A 11 -2.203 9.360 -7.021 1.00 0.00 H new ATOM 0 HB THR A 11 -2.875 8.554 -9.264 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.118 8.307 -9.936 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.680 10.311 -10.526 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.194 10.884 -8.921 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.493 10.442 -9.206 1.00 0.00 H new ATOM 162 N GLU A 12 -3.441 6.995 -7.051 1.00 0.00 N ATOM 163 CA GLU A 12 -3.993 5.722 -6.593 1.00 0.00 C ATOM 164 C GLU A 12 -3.436 4.588 -7.427 1.00 0.00 C ATOM 165 O GLU A 12 -3.055 3.569 -6.901 1.00 0.00 O ATOM 166 CB GLU A 12 -5.527 5.683 -6.657 1.00 0.00 C ATOM 167 CG GLU A 12 -6.102 4.378 -6.110 1.00 0.00 C ATOM 168 CD GLU A 12 -7.573 4.206 -6.359 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.387 4.716 -5.574 1.00 0.00 O ATOM 170 OE2 GLU A 12 -7.943 3.508 -7.324 1.00 0.00 O ATOM 0 H GLU A 12 -4.137 7.680 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.701 5.610 -5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.933 6.521 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.848 5.813 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.568 3.541 -6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.918 4.334 -5.037 1.00 0.00 H new ATOM 177 N ALA A 13 -3.334 4.814 -8.716 1.00 0.00 N ATOM 178 CA ALA A 13 -2.847 3.811 -9.636 1.00 0.00 C ATOM 179 C ALA A 13 -1.373 3.463 -9.379 1.00 0.00 C ATOM 180 O ALA A 13 -0.994 2.304 -9.452 1.00 0.00 O ATOM 181 CB ALA A 13 -3.072 4.257 -11.069 1.00 0.00 C ATOM 0 H ALA A 13 -3.586 5.698 -9.157 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.417 2.897 -9.467 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.700 3.492 -11.751 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.138 4.409 -11.240 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.540 5.191 -11.247 1.00 0.00 H new ATOM 187 N GLU A 14 -0.557 4.459 -9.058 1.00 0.00 N ATOM 188 CA GLU A 14 0.874 4.227 -8.767 1.00 0.00 C ATOM 189 C GLU A 14 1.029 3.554 -7.428 1.00 0.00 C ATOM 190 O GLU A 14 1.954 2.779 -7.203 1.00 0.00 O ATOM 191 CB GLU A 14 1.648 5.533 -8.785 1.00 0.00 C ATOM 192 CG GLU A 14 1.642 6.233 -10.119 1.00 0.00 C ATOM 193 CD GLU A 14 2.275 7.586 -10.037 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.612 8.532 -9.549 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.433 7.744 -10.452 1.00 0.00 O ATOM 0 H GLU A 14 -0.848 5.434 -8.990 1.00 0.00 H new ATOM 0 HA GLU A 14 1.279 3.577 -9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.228 6.202 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.680 5.335 -8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.175 5.626 -10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.616 6.332 -10.473 1.00 0.00 H new ATOM 202 N PHE A 15 0.126 3.841 -6.552 1.00 0.00 N ATOM 203 CA PHE A 15 0.109 3.223 -5.265 1.00 0.00 C ATOM 204 C PHE A 15 -0.442 1.820 -5.387 1.00 0.00 C ATOM 205 O PHE A 15 -0.074 0.940 -4.671 1.00 0.00 O ATOM 206 CB PHE A 15 -0.677 4.048 -4.272 1.00 0.00 C ATOM 207 CG PHE A 15 -0.634 3.471 -2.915 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.427 3.736 -2.083 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.644 2.644 -2.477 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.481 3.189 -0.837 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.602 2.100 -1.238 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.537 2.371 -0.409 1.00 0.00 C ATOM 0 H PHE A 15 -0.625 4.513 -6.707 1.00 0.00 H new ATOM 0 HA PHE A 15 1.129 3.163 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.278 5.062 -4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.713 4.121 -4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.224 4.383 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.478 2.427 -3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.319 3.397 -0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.401 1.456 -0.901 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.501 1.940 0.580 1.00 0.00 H new ATOM 222 N LEU A 16 -1.326 1.627 -6.285 1.00 0.00 N ATOM 223 CA LEU A 16 -1.876 0.320 -6.525 1.00 0.00 C ATOM 224 C LEU A 16 -0.826 -0.554 -7.193 1.00 0.00 C ATOM 225 O LEU A 16 -0.911 -1.777 -7.204 1.00 0.00 O ATOM 226 CB LEU A 16 -3.148 0.460 -7.330 1.00 0.00 C ATOM 227 CG LEU A 16 -4.053 -0.710 -7.307 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.459 -0.266 -7.021 1.00 0.00 C ATOM 229 CD2 LEU A 16 -4.031 -1.411 -8.586 1.00 0.00 C ATOM 0 H LEU A 16 -1.701 2.361 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.144 -0.175 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.696 1.327 -6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.880 0.669 -8.366 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.708 -1.386 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.119 -1.134 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.493 0.233 -6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.787 0.426 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.704 -2.267 -8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.354 -0.734 -9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.018 -1.756 -8.794 1.00 0.00 H new ATOM 241 N GLU A 17 0.157 0.089 -7.728 1.00 0.00 N ATOM 242 CA GLU A 17 1.332 -0.585 -8.200 1.00 0.00 C ATOM 243 C GLU A 17 2.245 -0.948 -7.025 1.00 0.00 C ATOM 244 O GLU A 17 3.047 -1.839 -7.156 1.00 0.00 O ATOM 245 CB GLU A 17 2.118 0.226 -9.218 1.00 0.00 C ATOM 246 CG GLU A 17 1.437 0.422 -10.547 1.00 0.00 C ATOM 247 CD GLU A 17 2.308 1.201 -11.487 1.00 0.00 C ATOM 248 OE1 GLU A 17 3.187 0.614 -12.116 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.156 2.439 -11.578 1.00 0.00 O ATOM 0 H GLU A 17 0.174 1.101 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 17 0.986 -1.488 -8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.333 1.205 -8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.076 -0.265 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.200 -0.548 -10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.492 0.946 -10.402 1.00 0.00 H new ATOM 256 N PHE A 18 2.086 -0.252 -5.860 1.00 0.00 N ATOM 257 CA PHE A 18 2.909 -0.534 -4.632 1.00 0.00 C ATOM 258 C PHE A 18 2.789 -1.981 -4.336 1.00 0.00 C ATOM 259 O PHE A 18 3.757 -2.707 -4.266 1.00 0.00 O ATOM 260 CB PHE A 18 2.442 0.326 -3.338 1.00 0.00 C ATOM 261 CG PHE A 18 1.690 -0.421 -2.140 1.00 0.00 C ATOM 262 CD1 PHE A 18 2.408 -0.963 -1.085 1.00 0.00 C ATOM 263 CD2 PHE A 18 0.284 -0.554 -2.088 1.00 0.00 C ATOM 264 CE1 PHE A 18 1.777 -1.612 -0.023 1.00 0.00 C ATOM 265 CE2 PHE A 18 -0.344 -1.217 -1.004 1.00 0.00 C ATOM 266 CZ PHE A 18 0.413 -1.735 0.011 1.00 0.00 C ATOM 0 H PHE A 18 1.406 0.499 -5.741 1.00 0.00 H new ATOM 0 HA PHE A 18 3.939 -0.243 -4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.329 0.803 -2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.787 1.123 -3.691 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.485 -0.881 -1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.320 -0.145 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.370 -2.022 0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.419 -1.313 -0.979 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.064 -2.240 0.838 1.00 0.00 H new ATOM 276 N VAL A 19 1.577 -2.381 -4.287 1.00 0.00 N ATOM 277 CA VAL A 19 1.212 -3.691 -3.914 1.00 0.00 C ATOM 278 C VAL A 19 1.552 -4.713 -4.996 1.00 0.00 C ATOM 279 O VAL A 19 2.098 -5.760 -4.700 1.00 0.00 O ATOM 280 CB VAL A 19 -0.270 -3.721 -3.477 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.190 -3.182 -4.540 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.687 -5.078 -2.968 1.00 0.00 C ATOM 0 H VAL A 19 0.782 -1.783 -4.514 1.00 0.00 H new ATOM 0 HA VAL A 19 1.808 -3.991 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.363 -3.041 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.220 -3.224 -4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.924 -2.148 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.093 -3.783 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.736 -5.049 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.552 -5.819 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.075 -5.347 -2.107 1.00 0.00 H new ATOM 292 N LYS A 20 1.292 -4.369 -6.240 1.00 0.00 N ATOM 293 CA LYS A 20 1.600 -5.247 -7.360 1.00 0.00 C ATOM 294 C LYS A 20 3.123 -5.461 -7.496 1.00 0.00 C ATOM 295 O LYS A 20 3.583 -6.548 -7.889 1.00 0.00 O ATOM 296 CB LYS A 20 0.995 -4.689 -8.637 1.00 0.00 C ATOM 297 CG LYS A 20 -0.504 -4.852 -8.662 1.00 0.00 C ATOM 298 CD LYS A 20 -1.156 -3.904 -9.622 1.00 0.00 C ATOM 299 CE LYS A 20 -2.656 -4.127 -9.709 1.00 0.00 C ATOM 300 NZ LYS A 20 -3.038 -5.293 -10.517 1.00 0.00 N ATOM 0 H LYS A 20 0.865 -3.482 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 20 1.157 -6.225 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.248 -3.633 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.431 -5.196 -9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.753 -5.876 -8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.903 -4.686 -7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.959 -2.879 -9.309 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.713 -4.027 -10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.054 -4.249 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.122 -3.236 -10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.074 -5.381 -10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.688 -5.172 -11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.623 -6.152 -10.104 1.00 0.00 H new ATOM 314 N LYS A 21 3.903 -4.427 -7.144 1.00 0.00 N ATOM 315 CA LYS A 21 5.356 -4.530 -7.109 1.00 0.00 C ATOM 316 C LYS A 21 5.775 -5.478 -6.016 1.00 0.00 C ATOM 317 O LYS A 21 6.707 -6.233 -6.180 1.00 0.00 O ATOM 318 CB LYS A 21 6.049 -3.175 -6.889 1.00 0.00 C ATOM 319 CG LYS A 21 5.959 -2.203 -8.057 1.00 0.00 C ATOM 320 CD LYS A 21 6.681 -0.883 -7.758 1.00 0.00 C ATOM 321 CE LYS A 21 8.180 -1.088 -7.523 1.00 0.00 C ATOM 322 NZ LYS A 21 8.890 0.191 -7.309 1.00 0.00 N ATOM 0 H LYS A 21 3.542 -3.510 -6.880 1.00 0.00 H new ATOM 0 HA LYS A 21 5.666 -4.903 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.614 -2.701 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.101 -3.355 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.393 -2.661 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.912 -2.001 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.536 -0.194 -8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.237 -0.418 -6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.326 -1.732 -6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.614 -1.604 -8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.901 0.005 -7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.774 0.797 -8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.495 0.672 -6.476 1.00 0.00 H new ATOM 336 N ILE A 22 5.069 -5.444 -4.910 1.00 0.00 N ATOM 337 CA ILE A 22 5.360 -6.326 -3.796 1.00 0.00 C ATOM 338 C ILE A 22 4.989 -7.764 -4.163 1.00 0.00 C ATOM 339 O ILE A 22 5.696 -8.713 -3.829 1.00 0.00 O ATOM 340 CB ILE A 22 4.639 -5.872 -2.511 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.033 -4.425 -2.211 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.021 -6.778 -1.350 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.374 -3.822 -1.012 1.00 0.00 C ATOM 0 H ILE A 22 4.284 -4.812 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 22 6.430 -6.282 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 22 3.560 -5.934 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.113 -4.380 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.797 -3.813 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.507 -6.449 -0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.732 -7.804 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.098 -6.731 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.719 -2.796 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.293 -3.827 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.629 -4.403 -0.126 1.00 0.00 H new ATOM 355 N CYS A 23 3.917 -7.908 -4.903 1.00 0.00 N ATOM 356 CA CYS A 23 3.495 -9.191 -5.412 1.00 0.00 C ATOM 357 C CYS A 23 4.584 -9.840 -6.311 1.00 0.00 C ATOM 358 O CYS A 23 4.696 -11.063 -6.376 1.00 0.00 O ATOM 359 CB CYS A 23 2.170 -9.037 -6.159 1.00 0.00 C ATOM 360 SG CYS A 23 0.779 -8.550 -5.107 1.00 0.00 S ATOM 0 H CYS A 23 3.309 -7.134 -5.171 1.00 0.00 H new ATOM 0 HA CYS A 23 3.346 -9.866 -4.569 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.294 -8.293 -6.946 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.929 -9.981 -6.647 1.00 0.00 H new ATOM 0 HG CYS A 23 0.958 -7.333 -4.687 1.00 0.00 H new ATOM 366 N ARG A 24 5.381 -9.017 -6.988 1.00 0.00 N ATOM 367 CA ARG A 24 6.479 -9.504 -7.832 1.00 0.00 C ATOM 368 C ARG A 24 7.837 -9.378 -7.107 1.00 0.00 C ATOM 369 O ARG A 24 8.879 -9.643 -7.688 1.00 0.00 O ATOM 370 CB ARG A 24 6.543 -8.712 -9.144 1.00 0.00 C ATOM 371 CG ARG A 24 7.060 -7.295 -8.987 1.00 0.00 C ATOM 372 CD ARG A 24 7.094 -6.552 -10.295 1.00 0.00 C ATOM 373 NE ARG A 24 7.796 -5.258 -10.166 1.00 0.00 N ATOM 374 CZ ARG A 24 7.614 -4.179 -10.952 1.00 0.00 C ATOM 375 NH1 ARG A 24 6.664 -4.169 -11.875 1.00 0.00 N ATOM 376 NH2 ARG A 24 8.378 -3.105 -10.782 1.00 0.00 N ATOM 0 H ARG A 24 5.289 -8.001 -6.971 1.00 0.00 H new ATOM 0 HA ARG A 24 6.283 -10.555 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.183 -9.245 -9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.546 -8.677 -9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.428 -6.756 -8.282 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.063 -7.321 -8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.591 -7.163 -11.049 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.076 -6.381 -10.644 1.00 0.00 H new ATOM 0 HE ARG A 24 8.480 -5.174 -9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.062 -4.983 -11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.535 -3.347 -12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.098 -3.100 -10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.245 -2.285 -11.374 1.00 0.00 H new ATOM 390 N ALA A 25 7.810 -8.994 -5.849 1.00 0.00 N ATOM 391 CA ALA A 25 9.022 -8.588 -5.118 1.00 0.00 C ATOM 392 C ALA A 25 9.845 -9.713 -4.516 1.00 0.00 C ATOM 393 O ALA A 25 10.681 -9.442 -3.648 1.00 0.00 O ATOM 394 CB ALA A 25 8.677 -7.581 -4.054 1.00 0.00 C ATOM 0 H ALA A 25 6.956 -8.950 -5.293 1.00 0.00 H new ATOM 0 HA ALA A 25 9.664 -8.150 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.582 -7.290 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.229 -6.702 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.969 -8.022 -3.352 1.00 0.00 H new ATOM 400 N GLU A 26 9.684 -10.924 -5.012 1.00 0.00 N ATOM 401 CA GLU A 26 10.430 -12.086 -4.507 1.00 0.00 C ATOM 402 C GLU A 26 11.960 -11.849 -4.418 1.00 0.00 C ATOM 403 O GLU A 26 12.593 -12.257 -3.448 1.00 0.00 O ATOM 404 CB GLU A 26 10.047 -13.388 -5.259 1.00 0.00 C ATOM 405 CG GLU A 26 9.816 -13.253 -6.777 1.00 0.00 C ATOM 406 CD GLU A 26 11.016 -12.783 -7.553 1.00 0.00 C ATOM 407 OE1 GLU A 26 11.873 -13.597 -7.893 1.00 0.00 O ATOM 408 OE2 GLU A 26 11.116 -11.581 -7.849 1.00 0.00 O ATOM 0 H GLU A 26 9.039 -11.142 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 26 10.118 -12.226 -3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.836 -14.123 -5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.139 -13.790 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.501 -14.219 -7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.995 -12.557 -6.946 1.00 0.00 H new ATOM 415 N GLY A 27 12.515 -11.169 -5.424 1.00 0.00 N ATOM 416 CA GLY A 27 13.907 -10.742 -5.416 1.00 0.00 C ATOM 417 C GLY A 27 14.883 -11.872 -5.231 1.00 0.00 C ATOM 418 O GLY A 27 14.849 -12.869 -5.974 1.00 0.00 O ATOM 0 H GLY A 27 12.007 -10.901 -6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.127 -10.233 -6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.051 -10.015 -4.617 1.00 0.00 H new ATOM 422 N ALA A 28 15.745 -11.737 -4.251 1.00 0.00 N ATOM 423 CA ALA A 28 16.703 -12.766 -3.976 1.00 0.00 C ATOM 424 C ALA A 28 16.192 -13.646 -2.859 1.00 0.00 C ATOM 425 O ALA A 28 16.465 -14.849 -2.809 1.00 0.00 O ATOM 426 CB ALA A 28 18.060 -12.178 -3.638 1.00 0.00 C ATOM 0 H ALA A 28 15.798 -10.925 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 28 16.834 -13.374 -4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.765 -12.984 -3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.419 -11.585 -4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.972 -11.542 -2.757 1.00 0.00 H new ATOM 432 N THR A 29 15.470 -13.042 -1.957 1.00 0.00 N ATOM 433 CA THR A 29 14.850 -13.714 -0.844 1.00 0.00 C ATOM 434 C THR A 29 13.674 -12.829 -0.427 1.00 0.00 C ATOM 435 O THR A 29 13.679 -11.633 -0.747 1.00 0.00 O ATOM 436 CB THR A 29 15.846 -13.864 0.344 1.00 0.00 C ATOM 437 OG1 THR A 29 17.110 -14.361 -0.134 1.00 0.00 O ATOM 438 CG2 THR A 29 15.321 -14.845 1.383 1.00 0.00 C ATOM 0 H THR A 29 15.290 -12.038 -1.975 1.00 0.00 H new ATOM 0 HA THR A 29 14.531 -14.719 -1.122 1.00 0.00 H new ATOM 0 HB THR A 29 15.963 -12.880 0.798 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.732 -14.451 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.038 -14.928 2.200 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.368 -14.487 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.181 -15.823 0.922 1.00 0.00 H new ATOM 446 N GLU A 30 12.709 -13.373 0.303 1.00 0.00 N ATOM 447 CA GLU A 30 11.477 -12.647 0.672 1.00 0.00 C ATOM 448 C GLU A 30 11.706 -11.406 1.563 1.00 0.00 C ATOM 449 O GLU A 30 10.762 -10.677 1.889 1.00 0.00 O ATOM 450 CB GLU A 30 10.438 -13.572 1.283 1.00 0.00 C ATOM 451 CG GLU A 30 10.870 -14.274 2.551 1.00 0.00 C ATOM 452 CD GLU A 30 9.739 -15.060 3.143 1.00 0.00 C ATOM 453 OE1 GLU A 30 8.886 -14.465 3.822 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.658 -16.277 2.925 1.00 0.00 O ATOM 0 H GLU A 30 12.748 -14.327 0.661 1.00 0.00 H new ATOM 0 HA GLU A 30 11.090 -12.262 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.539 -12.993 1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.165 -14.325 0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.706 -14.939 2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.225 -13.540 3.274 1.00 0.00 H new ATOM 461 N GLU A 31 12.934 -11.162 1.947 1.00 0.00 N ATOM 462 CA GLU A 31 13.261 -9.943 2.645 1.00 0.00 C ATOM 463 C GLU A 31 13.258 -8.767 1.652 1.00 0.00 C ATOM 464 O GLU A 31 13.041 -7.628 2.025 1.00 0.00 O ATOM 465 CB GLU A 31 14.598 -10.063 3.373 1.00 0.00 C ATOM 466 CG GLU A 31 15.760 -10.476 2.498 1.00 0.00 C ATOM 467 CD GLU A 31 17.050 -10.509 3.259 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.290 -11.469 4.010 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.847 -9.564 3.148 1.00 0.00 O ATOM 0 H GLU A 31 13.722 -11.789 1.789 1.00 0.00 H new ATOM 0 HA GLU A 31 12.505 -9.756 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.832 -9.104 3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.493 -10.788 4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.563 -11.461 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.849 -9.782 1.662 1.00 0.00 H new ATOM 476 N ASP A 32 13.445 -9.082 0.360 1.00 0.00 N ATOM 477 CA ASP A 32 13.393 -8.068 -0.708 1.00 0.00 C ATOM 478 C ASP A 32 11.956 -7.645 -0.942 1.00 0.00 C ATOM 479 O ASP A 32 11.678 -6.538 -1.412 1.00 0.00 O ATOM 480 CB ASP A 32 14.040 -8.559 -2.026 1.00 0.00 C ATOM 481 CG ASP A 32 15.539 -8.652 -1.955 1.00 0.00 C ATOM 482 OD1 ASP A 32 16.216 -7.603 -1.788 1.00 0.00 O ATOM 483 OD2 ASP A 32 16.091 -9.766 -2.125 1.00 0.00 O ATOM 0 H ASP A 32 13.633 -10.028 0.029 1.00 0.00 H new ATOM 0 HA ASP A 32 13.977 -7.210 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.634 -9.538 -2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.763 -7.881 -2.833 1.00 0.00 H new ATOM 488 N ASP A 33 11.066 -8.540 -0.585 1.00 0.00 N ATOM 489 CA ASP A 33 9.617 -8.326 -0.618 1.00 0.00 C ATOM 490 C ASP A 33 9.272 -7.301 0.453 1.00 0.00 C ATOM 491 O ASP A 33 8.733 -6.223 0.163 1.00 0.00 O ATOM 492 CB ASP A 33 8.930 -9.685 -0.320 1.00 0.00 C ATOM 493 CG ASP A 33 7.411 -9.683 -0.267 1.00 0.00 C ATOM 494 OD1 ASP A 33 6.828 -9.048 0.632 1.00 0.00 O ATOM 495 OD2 ASP A 33 6.786 -10.392 -1.095 1.00 0.00 O ATOM 0 H ASP A 33 11.326 -9.468 -0.252 1.00 0.00 H new ATOM 0 HA ASP A 33 9.280 -7.958 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.243 -10.399 -1.081 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.304 -10.053 0.635 1.00 0.00 H new ATOM 500 N ASN A 34 9.705 -7.603 1.676 1.00 0.00 N ATOM 501 CA ASN A 34 9.462 -6.770 2.849 1.00 0.00 C ATOM 502 C ASN A 34 10.121 -5.391 2.687 1.00 0.00 C ATOM 503 O ASN A 34 9.619 -4.389 3.174 1.00 0.00 O ATOM 504 CB ASN A 34 10.013 -7.478 4.082 1.00 0.00 C ATOM 505 CG ASN A 34 9.740 -6.746 5.376 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.720 -6.076 5.540 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.646 -6.853 6.290 1.00 0.00 N ATOM 0 H ASN A 34 10.242 -8.446 1.881 1.00 0.00 H new ATOM 0 HA ASN A 34 8.389 -6.615 2.962 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.579 -8.476 4.141 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.089 -7.605 3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.529 -6.374 7.183 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.479 -7.417 6.119 1.00 0.00 H new ATOM 514 N LYS A 35 11.212 -5.361 1.952 1.00 0.00 N ATOM 515 CA LYS A 35 11.957 -4.176 1.639 1.00 0.00 C ATOM 516 C LYS A 35 11.083 -3.134 0.932 1.00 0.00 C ATOM 517 O LYS A 35 11.174 -1.931 1.222 1.00 0.00 O ATOM 518 CB LYS A 35 13.137 -4.627 0.795 1.00 0.00 C ATOM 519 CG LYS A 35 13.742 -3.590 -0.078 1.00 0.00 C ATOM 520 CD LYS A 35 14.856 -4.173 -0.938 1.00 0.00 C ATOM 521 CE LYS A 35 16.037 -4.628 -0.100 1.00 0.00 C ATOM 522 NZ LYS A 35 17.122 -5.189 -0.923 1.00 0.00 N ATOM 0 H LYS A 35 11.616 -6.203 1.542 1.00 0.00 H new ATOM 0 HA LYS A 35 12.310 -3.676 2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.910 -5.010 1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.815 -5.459 0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.974 -3.157 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.139 -2.781 0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.470 -5.017 -1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.188 -3.425 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.419 -3.784 0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.703 -5.377 0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.957 -5.360 -0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.809 -6.086 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.368 -4.517 -1.678 1.00 0.00 H new ATOM 536 N LEU A 36 10.223 -3.585 0.045 1.00 0.00 N ATOM 537 CA LEU A 36 9.311 -2.684 -0.613 1.00 0.00 C ATOM 538 C LEU A 36 8.207 -2.298 0.339 1.00 0.00 C ATOM 539 O LEU A 36 7.839 -1.136 0.435 1.00 0.00 O ATOM 540 CB LEU A 36 8.728 -3.292 -1.889 1.00 0.00 C ATOM 541 CG LEU A 36 9.710 -3.547 -3.032 1.00 0.00 C ATOM 542 CD1 LEU A 36 8.969 -4.019 -4.263 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.505 -2.298 -3.353 1.00 0.00 C ATOM 0 H LEU A 36 10.138 -4.563 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 36 9.868 -1.795 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.253 -4.238 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.943 -2.630 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 36 10.405 -4.324 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.680 -4.197 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.439 -4.944 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.254 -3.257 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.196 -2.507 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.824 -1.499 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.067 -1.988 -2.472 1.00 0.00 H new ATOM 555 N VAL A 37 7.734 -3.275 1.085 1.00 0.00 N ATOM 556 CA VAL A 37 6.658 -3.080 2.051 1.00 0.00 C ATOM 557 C VAL A 37 7.013 -1.972 3.052 1.00 0.00 C ATOM 558 O VAL A 37 6.197 -1.114 3.334 1.00 0.00 O ATOM 559 CB VAL A 37 6.373 -4.379 2.850 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.216 -4.180 3.787 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.107 -5.558 1.941 1.00 0.00 C ATOM 0 H VAL A 37 8.083 -4.233 1.043 1.00 0.00 H new ATOM 0 HA VAL A 37 5.772 -2.799 1.481 1.00 0.00 H new ATOM 0 HB VAL A 37 7.269 -4.603 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.032 -5.102 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.449 -3.379 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.326 -3.915 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.913 -6.445 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.240 -5.347 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.977 -5.733 1.308 1.00 0.00 H new ATOM 571 N ARG A 38 8.247 -1.986 3.543 1.00 0.00 N ATOM 572 CA ARG A 38 8.686 -1.036 4.564 1.00 0.00 C ATOM 573 C ARG A 38 8.565 0.420 4.108 1.00 0.00 C ATOM 574 O ARG A 38 8.101 1.266 4.873 1.00 0.00 O ATOM 575 CB ARG A 38 10.119 -1.316 5.050 1.00 0.00 C ATOM 576 CG ARG A 38 10.361 -2.723 5.603 1.00 0.00 C ATOM 577 CD ARG A 38 9.332 -3.117 6.654 1.00 0.00 C ATOM 578 NE ARG A 38 9.273 -2.168 7.761 1.00 0.00 N ATOM 579 CZ ARG A 38 8.257 -2.045 8.612 1.00 0.00 C ATOM 580 NH1 ARG A 38 7.232 -2.900 8.571 1.00 0.00 N ATOM 581 NH2 ARG A 38 8.283 -1.089 9.522 1.00 0.00 N ATOM 0 H ARG A 38 8.966 -2.648 3.250 1.00 0.00 H new ATOM 0 HA ARG A 38 8.006 -1.183 5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.806 -1.147 4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.370 -0.591 5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.334 -3.442 4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.359 -2.773 6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.349 -3.188 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.573 -4.107 7.041 1.00 0.00 H new ATOM 0 HE ARG A 38 10.074 -1.550 7.893 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.224 -3.654 7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.457 -2.799 9.227 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.078 -0.451 9.569 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.508 -0.988 10.178 1.00 0.00 H new ATOM 595 N GLU A 39 8.968 0.714 2.869 1.00 0.00 N ATOM 596 CA GLU A 39 8.880 2.102 2.388 1.00 0.00 C ATOM 597 C GLU A 39 7.421 2.523 2.248 1.00 0.00 C ATOM 598 O GLU A 39 7.030 3.617 2.660 1.00 0.00 O ATOM 599 CB GLU A 39 9.643 2.335 1.058 1.00 0.00 C ATOM 600 CG GLU A 39 9.056 1.653 -0.172 1.00 0.00 C ATOM 601 CD GLU A 39 9.828 1.938 -1.429 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.025 1.587 -1.494 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.265 2.505 -2.385 1.00 0.00 O ATOM 0 H GLU A 39 9.345 0.042 2.201 1.00 0.00 H new ATOM 0 HA GLU A 39 9.368 2.725 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.687 3.408 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.670 1.992 1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.030 0.576 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.025 1.980 -0.304 1.00 0.00 H new ATOM 610 N PHE A 40 6.611 1.620 1.739 1.00 0.00 N ATOM 611 CA PHE A 40 5.226 1.901 1.501 1.00 0.00 C ATOM 612 C PHE A 40 4.437 2.013 2.791 1.00 0.00 C ATOM 613 O PHE A 40 3.614 2.907 2.932 1.00 0.00 O ATOM 614 CB PHE A 40 4.623 0.903 0.530 1.00 0.00 C ATOM 615 CG PHE A 40 5.171 1.028 -0.878 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.000 2.200 -1.602 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.840 -0.025 -1.477 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.490 2.316 -2.890 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.332 0.083 -2.762 1.00 0.00 C ATOM 620 CZ PHE A 40 6.158 1.254 -3.470 1.00 0.00 C ATOM 0 H PHE A 40 6.900 0.676 1.482 1.00 0.00 H new ATOM 0 HA PHE A 40 5.165 2.881 1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.809 -0.107 0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.542 1.039 0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.478 3.032 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.979 -0.946 -0.930 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.351 3.234 -3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.853 -0.749 -3.213 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.543 1.341 -4.475 1.00 0.00 H new ATOM 630 N GLU A 41 4.746 1.164 3.751 1.00 0.00 N ATOM 631 CA GLU A 41 4.106 1.206 5.048 1.00 0.00 C ATOM 632 C GLU A 41 4.453 2.439 5.863 1.00 0.00 C ATOM 633 O GLU A 41 3.775 2.777 6.842 1.00 0.00 O ATOM 634 CB GLU A 41 4.251 -0.106 5.811 1.00 0.00 C ATOM 635 CG GLU A 41 3.262 -1.110 5.260 1.00 0.00 C ATOM 636 CD GLU A 41 1.909 -0.475 5.240 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.352 -0.288 6.328 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.396 -0.148 4.167 1.00 0.00 O ATOM 0 H GLU A 41 5.446 0.428 3.653 1.00 0.00 H new ATOM 0 HA GLU A 41 3.039 1.314 4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.268 -0.487 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.071 0.055 6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.552 -1.416 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.250 -2.009 5.876 1.00 0.00 H new ATOM 645 N ARG A 42 5.504 3.124 5.468 1.00 0.00 N ATOM 646 CA ARG A 42 5.844 4.379 6.084 1.00 0.00 C ATOM 647 C ARG A 42 4.944 5.463 5.514 1.00 0.00 C ATOM 648 O ARG A 42 4.517 6.378 6.213 1.00 0.00 O ATOM 649 CB ARG A 42 7.295 4.719 5.808 1.00 0.00 C ATOM 650 CG ARG A 42 7.788 5.975 6.514 1.00 0.00 C ATOM 651 CD ARG A 42 7.533 5.906 8.013 1.00 0.00 C ATOM 652 NE ARG A 42 8.010 7.091 8.730 1.00 0.00 N ATOM 653 CZ ARG A 42 7.625 7.431 9.972 1.00 0.00 C ATOM 654 NH1 ARG A 42 6.620 6.798 10.557 1.00 0.00 N ATOM 655 NH2 ARG A 42 8.207 8.443 10.595 1.00 0.00 N ATOM 0 H ARG A 42 6.135 2.830 4.723 1.00 0.00 H new ATOM 0 HA ARG A 42 5.703 4.308 7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.918 3.877 6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.429 4.844 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.855 6.102 6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.286 6.849 6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.464 5.788 8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.023 5.021 8.419 1.00 0.00 H new ATOM 0 HE ARG A 42 8.678 7.698 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.134 6.048 10.065 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.332 7.060 11.500 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.950 8.967 10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.913 8.699 11.538 1.00 0.00 H new ATOM 669 N LEU A 43 4.669 5.327 4.256 1.00 0.00 N ATOM 670 CA LEU A 43 3.837 6.262 3.512 1.00 0.00 C ATOM 671 C LEU A 43 2.369 6.145 3.919 1.00 0.00 C ATOM 672 O LEU A 43 1.668 7.159 4.097 1.00 0.00 O ATOM 673 CB LEU A 43 3.998 6.003 2.009 1.00 0.00 C ATOM 674 CG LEU A 43 5.428 6.147 1.479 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.522 5.741 0.016 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.920 7.574 1.677 1.00 0.00 C ATOM 0 H LEU A 43 5.016 4.552 3.691 1.00 0.00 H new ATOM 0 HA LEU A 43 4.162 7.276 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.644 4.996 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.353 6.693 1.465 1.00 0.00 H new ATOM 0 HG LEU A 43 6.069 5.473 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.550 5.855 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.216 4.700 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.867 6.376 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.937 7.664 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.269 8.262 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.907 7.819 2.739 1.00 0.00 H new ATOM 688 N THR A 44 1.917 4.933 4.073 1.00 0.00 N ATOM 689 CA THR A 44 0.556 4.658 4.444 1.00 0.00 C ATOM 690 C THR A 44 0.352 4.928 5.919 1.00 0.00 C ATOM 691 O THR A 44 -0.704 5.458 6.340 1.00 0.00 O ATOM 692 CB THR A 44 0.247 3.181 4.165 1.00 0.00 C ATOM 693 OG1 THR A 44 1.173 2.389 4.883 1.00 0.00 O ATOM 694 CG2 THR A 44 0.407 2.885 2.705 1.00 0.00 C ATOM 0 H THR A 44 2.489 4.098 3.943 1.00 0.00 H new ATOM 0 HA THR A 44 -0.106 5.301 3.864 1.00 0.00 H new ATOM 0 HB THR A 44 -0.777 2.963 4.468 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.454 1.631 4.329 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.185 1.834 2.520 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.279 3.507 2.130 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.432 3.098 2.401 1.00 0.00 H new ATOM 702 N GLU A 45 1.391 4.565 6.705 1.00 0.00 N ATOM 703 CA GLU A 45 1.383 4.585 8.116 1.00 0.00 C ATOM 704 C GLU A 45 0.231 3.672 8.541 1.00 0.00 C ATOM 705 O GLU A 45 -0.486 3.924 9.528 1.00 0.00 O ATOM 706 CB GLU A 45 1.202 6.006 8.635 1.00 0.00 C ATOM 707 CG GLU A 45 1.619 6.134 10.059 1.00 0.00 C ATOM 708 CD GLU A 45 3.106 6.015 10.242 1.00 0.00 C ATOM 709 OE1 GLU A 45 3.819 6.995 9.984 1.00 0.00 O ATOM 710 OE2 GLU A 45 3.585 4.939 10.670 1.00 0.00 O ATOM 0 H GLU A 45 2.278 4.242 6.319 1.00 0.00 H new ATOM 0 HA GLU A 45 2.327 4.234 8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.786 6.693 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.157 6.299 8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.286 7.097 10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.122 5.364 10.649 1.00 0.00 H new ATOM 717 N HIS A 46 0.055 2.612 7.776 1.00 0.00 N ATOM 718 CA HIS A 46 -1.033 1.735 7.972 1.00 0.00 C ATOM 719 C HIS A 46 -0.646 0.655 9.009 1.00 0.00 C ATOM 720 O HIS A 46 0.458 0.179 9.036 1.00 0.00 O ATOM 721 CB HIS A 46 -1.533 1.154 6.606 1.00 0.00 C ATOM 722 CG HIS A 46 -2.833 0.420 6.715 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.945 -0.837 7.237 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.093 0.862 6.541 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.237 -1.096 7.412 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.980 -0.105 6.991 1.00 0.00 N ATOM 0 H HIS A 46 0.674 2.353 7.007 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.884 2.278 8.384 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.643 1.969 5.891 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.775 0.480 6.207 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.369 1.817 6.119 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.623 -2.007 7.846 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.999 -0.054 6.993 1.00 0.00 H new ATOM 734 N PRO A 47 -1.547 0.345 9.923 1.00 0.00 N ATOM 735 CA PRO A 47 -1.310 -0.613 11.006 1.00 0.00 C ATOM 736 C PRO A 47 -1.036 -2.019 10.561 1.00 0.00 C ATOM 737 O PRO A 47 -0.128 -2.681 11.054 1.00 0.00 O ATOM 738 CB PRO A 47 -2.614 -0.599 11.772 1.00 0.00 C ATOM 739 CG PRO A 47 -3.602 0.110 10.942 1.00 0.00 C ATOM 740 CD PRO A 47 -2.851 0.965 10.028 1.00 0.00 C ATOM 0 HA PRO A 47 -0.421 -0.323 11.566 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.947 -1.615 11.982 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.490 -0.099 12.733 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.221 -0.597 10.389 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.273 0.704 11.563 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.338 1.027 9.055 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.775 1.982 10.412 1.00 0.00 H new ATOM 748 N ASP A 48 -1.785 -2.452 9.616 1.00 0.00 N ATOM 749 CA ASP A 48 -1.755 -3.815 9.215 1.00 0.00 C ATOM 750 C ASP A 48 -1.295 -3.858 7.822 1.00 0.00 C ATOM 751 O ASP A 48 -1.485 -4.822 7.150 1.00 0.00 O ATOM 752 CB ASP A 48 -3.150 -4.456 9.270 1.00 0.00 C ATOM 753 CG ASP A 48 -3.765 -4.478 10.629 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.413 -5.343 11.437 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.659 -3.649 10.899 1.00 0.00 O ATOM 0 H ASP A 48 -2.441 -1.871 9.094 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.097 -4.363 9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.812 -3.915 8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.082 -5.479 8.899 1.00 0.00 H new ATOM 760 N GLY A 49 -0.675 -2.782 7.404 1.00 0.00 N ATOM 761 CA GLY A 49 -0.265 -2.629 5.994 1.00 0.00 C ATOM 762 C GLY A 49 0.559 -3.738 5.461 1.00 0.00 C ATOM 763 O GLY A 49 0.268 -4.267 4.389 1.00 0.00 O ATOM 0 H GLY A 49 -0.435 -1.992 8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.160 -2.532 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.294 -1.699 5.892 1.00 0.00 H new ATOM 767 N SER A 50 1.560 -4.114 6.187 1.00 0.00 N ATOM 768 CA SER A 50 2.378 -5.243 5.750 1.00 0.00 C ATOM 769 C SER A 50 1.519 -6.512 5.735 1.00 0.00 C ATOM 770 O SER A 50 1.484 -7.250 4.745 1.00 0.00 O ATOM 771 CB SER A 50 3.597 -5.433 6.648 1.00 0.00 C ATOM 772 OG SER A 50 4.262 -4.188 6.842 1.00 0.00 O ATOM 0 H SER A 50 1.842 -3.682 7.067 1.00 0.00 H new ATOM 0 HA SER A 50 2.746 -5.037 4.745 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.289 -5.843 7.610 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.281 -6.153 6.198 1.00 0.00 H new ATOM 0 HG SER A 50 5.042 -4.320 7.421 1.00 0.00 H new ATOM 778 N ASP A 51 0.751 -6.686 6.798 1.00 0.00 N ATOM 779 CA ASP A 51 -0.122 -7.838 6.978 1.00 0.00 C ATOM 780 C ASP A 51 -1.183 -7.930 5.889 1.00 0.00 C ATOM 781 O ASP A 51 -1.586 -9.002 5.540 1.00 0.00 O ATOM 782 CB ASP A 51 -0.789 -7.833 8.365 1.00 0.00 C ATOM 783 CG ASP A 51 0.189 -7.995 9.505 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.718 -9.105 9.697 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.447 -7.009 10.257 1.00 0.00 O ATOM 0 H ASP A 51 0.715 -6.023 7.572 1.00 0.00 H new ATOM 0 HA ASP A 51 0.515 -8.719 6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.333 -6.898 8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.523 -8.638 8.409 1.00 0.00 H new ATOM 790 N LEU A 52 -1.597 -6.790 5.341 1.00 0.00 N ATOM 791 CA LEU A 52 -2.602 -6.716 4.258 1.00 0.00 C ATOM 792 C LEU A 52 -2.136 -7.450 3.036 1.00 0.00 C ATOM 793 O LEU A 52 -2.917 -8.071 2.331 1.00 0.00 O ATOM 794 CB LEU A 52 -2.849 -5.259 3.829 1.00 0.00 C ATOM 795 CG LEU A 52 -3.419 -4.314 4.866 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.625 -2.959 4.240 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.721 -4.849 5.445 1.00 0.00 C ATOM 0 H LEU A 52 -1.247 -5.877 5.632 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.513 -7.163 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.903 -4.845 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.526 -5.270 2.975 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.713 -4.227 5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.035 -2.274 4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.670 -2.575 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.319 -3.046 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.105 -4.148 6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.453 -4.969 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.539 -5.814 5.918 1.00 0.00 H new ATOM 809 N ILE A 53 -0.857 -7.390 2.815 1.00 0.00 N ATOM 810 CA ILE A 53 -0.255 -7.921 1.620 1.00 0.00 C ATOM 811 C ILE A 53 -0.146 -9.411 1.740 1.00 0.00 C ATOM 812 O ILE A 53 -0.386 -10.164 0.791 1.00 0.00 O ATOM 813 CB ILE A 53 1.148 -7.313 1.449 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.041 -5.784 1.447 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.809 -7.814 0.165 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.360 -5.082 1.568 1.00 0.00 C ATOM 0 H ILE A 53 -0.192 -6.968 3.463 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.869 -7.672 0.754 1.00 0.00 H new ATOM 0 HB ILE A 53 1.776 -7.627 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.554 -5.465 0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.398 -5.474 2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.799 -7.369 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.901 -8.899 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.199 -7.531 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.200 -4.004 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.841 -5.370 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.999 -5.361 0.730 1.00 0.00 H new ATOM 828 N TYR A 54 0.171 -9.823 2.921 1.00 0.00 N ATOM 829 CA TYR A 54 0.401 -11.196 3.202 1.00 0.00 C ATOM 830 C TYR A 54 -0.891 -11.923 3.517 1.00 0.00 C ATOM 831 O TYR A 54 -1.053 -13.093 3.184 1.00 0.00 O ATOM 832 CB TYR A 54 1.387 -11.310 4.348 1.00 0.00 C ATOM 833 CG TYR A 54 2.721 -10.661 4.058 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.486 -11.059 2.972 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.195 -9.630 4.849 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.686 -10.452 2.689 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.393 -9.007 4.576 1.00 0.00 C ATOM 838 CZ TYR A 54 5.139 -9.425 3.487 1.00 0.00 C ATOM 839 OH TYR A 54 6.349 -8.823 3.200 1.00 0.00 O ATOM 0 H TYR A 54 0.278 -9.207 3.727 1.00 0.00 H new ATOM 0 HA TYR A 54 0.822 -11.672 2.316 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.954 -10.852 5.237 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.546 -12.364 4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.133 -11.859 2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.613 -9.306 5.699 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.272 -10.779 1.843 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.746 -8.202 5.204 1.00 0.00 H new ATOM 0 HH TYR A 54 6.440 -8.718 2.230 1.00 0.00 H new ATOM 849 N TYR A 55 -1.804 -11.233 4.152 1.00 0.00 N ATOM 850 CA TYR A 55 -3.069 -11.799 4.539 1.00 0.00 C ATOM 851 C TYR A 55 -4.177 -10.771 4.338 1.00 0.00 C ATOM 852 O TYR A 55 -4.405 -9.929 5.212 1.00 0.00 O ATOM 853 CB TYR A 55 -3.061 -12.216 6.032 1.00 0.00 C ATOM 854 CG TYR A 55 -1.926 -13.128 6.434 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.961 -14.481 6.140 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.810 -12.625 7.100 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.919 -15.314 6.497 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.234 -13.451 7.458 1.00 0.00 C ATOM 859 CZ TYR A 55 0.175 -14.794 7.156 1.00 0.00 C ATOM 860 OH TYR A 55 1.223 -15.621 7.509 1.00 0.00 O ATOM 0 H TYR A 55 -1.688 -10.255 4.417 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.243 -12.679 3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.018 -11.316 6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.004 -12.712 6.260 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.816 -14.891 5.624 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.762 -11.573 7.339 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.961 -16.367 6.261 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.094 -13.048 7.972 1.00 0.00 H new ATOM 0 HH TYR A 55 1.914 -15.097 7.965 1.00 0.00 H new ATOM 870 N PRO A 56 -4.824 -10.749 3.175 1.00 0.00 N ATOM 871 CA PRO A 56 -5.991 -9.904 2.962 1.00 0.00 C ATOM 872 C PRO A 56 -7.126 -10.424 3.844 1.00 0.00 C ATOM 873 O PRO A 56 -7.761 -11.423 3.511 1.00 0.00 O ATOM 874 CB PRO A 56 -6.312 -10.070 1.468 1.00 0.00 C ATOM 875 CG PRO A 56 -5.060 -10.640 0.883 1.00 0.00 C ATOM 876 CD PRO A 56 -4.457 -11.488 1.965 1.00 0.00 C ATOM 0 HA PRO A 56 -5.838 -8.855 3.216 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.162 -10.736 1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.568 -9.116 1.008 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.277 -11.234 -0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.375 -9.849 0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.865 -12.499 1.965 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.376 -11.580 1.856 1.00 0.00 H new ATOM 884 N ARG A 57 -7.336 -9.702 4.964 1.00 0.00 N ATOM 885 CA ARG A 57 -8.168 -10.075 6.146 1.00 0.00 C ATOM 886 C ARG A 57 -9.133 -11.263 5.980 1.00 0.00 C ATOM 887 O ARG A 57 -8.685 -12.417 5.898 1.00 0.00 O ATOM 888 CB ARG A 57 -8.871 -8.856 6.765 1.00 0.00 C ATOM 889 CG ARG A 57 -7.946 -7.697 7.081 1.00 0.00 C ATOM 890 CD ARG A 57 -8.654 -6.613 7.880 1.00 0.00 C ATOM 891 NE ARG A 57 -7.869 -5.376 7.916 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.084 -4.961 8.917 1.00 0.00 C ATOM 893 NH1 ARG A 57 -6.918 -5.694 10.012 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.463 -3.801 8.818 1.00 0.00 N ATOM 0 H ARG A 57 -6.906 -8.785 5.083 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.425 -10.457 6.847 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.646 -8.511 6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.372 -9.167 7.682 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.086 -8.061 7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.563 -7.273 6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.631 -6.413 7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.829 -6.964 8.897 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.927 -4.771 7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.393 -6.592 10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.315 -5.359 10.763 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.583 -3.228 7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.863 -3.477 9.577 1.00 0.00 H new ATOM 908 N ASP A 58 -10.416 -11.006 6.031 1.00 0.00 N ATOM 909 CA ASP A 58 -11.411 -12.071 5.882 1.00 0.00 C ATOM 910 C ASP A 58 -12.345 -11.813 4.714 1.00 0.00 C ATOM 911 O ASP A 58 -12.336 -12.534 3.720 1.00 0.00 O ATOM 912 CB ASP A 58 -12.214 -12.268 7.176 1.00 0.00 C ATOM 913 CG ASP A 58 -13.210 -13.410 7.080 1.00 0.00 C ATOM 914 OD1 ASP A 58 -12.823 -14.570 7.325 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.397 -13.167 6.777 1.00 0.00 O ATOM 0 H ASP A 58 -10.808 -10.075 6.174 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.862 -12.989 5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.526 -12.459 8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.746 -11.346 7.412 1.00 0.00 H new ATOM 920 N ASP A 59 -13.143 -10.761 4.843 1.00 0.00 N ATOM 921 CA ASP A 59 -14.158 -10.412 3.842 1.00 0.00 C ATOM 922 C ASP A 59 -13.559 -9.602 2.717 1.00 0.00 C ATOM 923 O ASP A 59 -14.104 -9.552 1.608 1.00 0.00 O ATOM 924 CB ASP A 59 -15.317 -9.645 4.493 1.00 0.00 C ATOM 925 CG ASP A 59 -16.401 -9.233 3.511 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.186 -10.107 3.053 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.484 -8.042 3.174 1.00 0.00 O ATOM 0 H ASP A 59 -13.110 -10.124 5.639 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.545 -11.340 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.761 -10.266 5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.923 -8.754 4.981 1.00 0.00 H new ATOM 932 N ARG A 60 -12.423 -8.986 2.998 1.00 0.00 N ATOM 933 CA ARG A 60 -11.717 -8.177 2.015 1.00 0.00 C ATOM 934 C ARG A 60 -11.406 -8.915 0.752 1.00 0.00 C ATOM 935 O ARG A 60 -11.195 -10.135 0.743 1.00 0.00 O ATOM 936 CB ARG A 60 -10.437 -7.581 2.566 1.00 0.00 C ATOM 937 CG ARG A 60 -10.605 -6.198 3.127 1.00 0.00 C ATOM 938 CD ARG A 60 -10.858 -5.198 2.000 1.00 0.00 C ATOM 939 NE ARG A 60 -11.135 -3.858 2.523 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.028 -3.002 2.037 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.819 -3.362 1.046 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.151 -1.784 2.571 1.00 0.00 N ATOM 0 H ARG A 60 -11.965 -9.031 3.908 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.413 -7.373 1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.049 -8.235 3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.689 -7.553 1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.437 -6.182 3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.712 -5.912 3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.989 -5.161 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.700 -5.535 1.395 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.594 -3.555 3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.747 -4.299 0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.504 -2.703 0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.559 -1.508 3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.837 -1.129 2.196 1.00 0.00 H new ATOM 956 N GLU A 61 -11.404 -8.162 -0.297 1.00 0.00 N ATOM 957 CA GLU A 61 -11.081 -8.635 -1.593 1.00 0.00 C ATOM 958 C GLU A 61 -9.607 -8.976 -1.587 1.00 0.00 C ATOM 959 O GLU A 61 -8.772 -8.147 -1.189 1.00 0.00 O ATOM 960 CB GLU A 61 -11.362 -7.538 -2.613 1.00 0.00 C ATOM 961 CG GLU A 61 -11.382 -8.016 -4.027 1.00 0.00 C ATOM 962 CD GLU A 61 -12.468 -9.030 -4.257 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.663 -8.672 -4.166 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.150 -10.199 -4.529 1.00 0.00 O ATOM 0 H GLU A 61 -11.635 -7.169 -0.270 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.675 -9.510 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.323 -7.078 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.605 -6.761 -2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.529 -7.168 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.416 -8.455 -4.276 1.00 0.00 H new ATOM 971 N ASP A 62 -9.285 -10.155 -2.002 1.00 0.00 N ATOM 972 CA ASP A 62 -7.918 -10.624 -1.952 1.00 0.00 C ATOM 973 C ASP A 62 -7.213 -10.181 -3.220 1.00 0.00 C ATOM 974 O ASP A 62 -6.884 -10.991 -4.089 1.00 0.00 O ATOM 975 CB ASP A 62 -7.894 -12.163 -1.813 1.00 0.00 C ATOM 976 CG ASP A 62 -6.535 -12.758 -1.466 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.622 -12.754 -2.310 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.398 -13.323 -0.357 1.00 0.00 O ATOM 0 H ASP A 62 -9.949 -10.827 -2.386 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.403 -10.204 -1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.608 -12.454 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.238 -12.603 -2.749 1.00 0.00 H new ATOM 983 N SER A 63 -7.067 -8.897 -3.387 1.00 0.00 N ATOM 984 CA SER A 63 -6.434 -8.408 -4.566 1.00 0.00 C ATOM 985 C SER A 63 -5.558 -7.233 -4.222 1.00 0.00 C ATOM 986 O SER A 63 -5.770 -6.602 -3.181 1.00 0.00 O ATOM 987 CB SER A 63 -7.517 -7.996 -5.579 1.00 0.00 C ATOM 988 OG SER A 63 -8.337 -6.947 -5.068 1.00 0.00 O ATOM 0 H SER A 63 -7.375 -8.182 -2.728 1.00 0.00 H new ATOM 0 HA SER A 63 -5.809 -9.186 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.045 -7.672 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.137 -8.859 -5.822 1.00 0.00 H new ATOM 0 HG SER A 63 -9.014 -6.706 -5.735 1.00 0.00 H new ATOM 994 N PRO A 64 -4.532 -6.926 -5.057 1.00 0.00 N ATOM 995 CA PRO A 64 -3.729 -5.710 -4.909 1.00 0.00 C ATOM 996 C PRO A 64 -4.640 -4.472 -4.796 1.00 0.00 C ATOM 997 O PRO A 64 -4.371 -3.542 -4.035 1.00 0.00 O ATOM 998 CB PRO A 64 -2.915 -5.692 -6.226 1.00 0.00 C ATOM 999 CG PRO A 64 -2.713 -7.124 -6.523 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.017 -7.786 -6.157 1.00 0.00 C ATOM 0 HA PRO A 64 -3.105 -5.694 -4.016 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.457 -5.188 -7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.966 -5.169 -6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.473 -7.279 -7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.886 -7.534 -5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.705 -7.816 -7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.869 -8.815 -5.829 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.747 -4.521 -5.520 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.748 -3.475 -5.513 1.00 0.00 C ATOM 1010 C GLU A 65 -7.448 -3.399 -4.153 1.00 0.00 C ATOM 1011 O GLU A 65 -7.606 -2.310 -3.590 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.749 -3.731 -6.629 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.112 -3.721 -8.006 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.034 -4.181 -9.100 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.820 -3.360 -9.625 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -7.964 -5.364 -9.489 1.00 0.00 O ATOM 0 H GLU A 65 -5.975 -5.301 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.264 -2.514 -5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.231 -4.695 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.531 -2.973 -6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.770 -2.711 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.230 -4.361 -7.993 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.837 -4.555 -3.625 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.491 -4.628 -2.325 1.00 0.00 C ATOM 1025 C GLY A 66 -7.571 -4.209 -1.185 1.00 0.00 C ATOM 1026 O GLY A 66 -8.026 -3.685 -0.167 1.00 0.00 O ATOM 0 H GLY A 66 -7.709 -5.458 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.373 -3.988 -2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.837 -5.647 -2.153 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.287 -4.436 -1.360 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.283 -4.014 -0.394 1.00 0.00 C ATOM 1032 C ILE A 67 -5.197 -2.480 -0.375 1.00 0.00 C ATOM 1033 O ILE A 67 -5.226 -1.860 0.683 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.911 -4.669 -0.704 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.036 -6.194 -0.519 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.800 -4.095 0.183 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.826 -6.988 -0.947 1.00 0.00 C ATOM 0 H ILE A 67 -5.905 -4.918 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.576 -4.349 0.601 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.635 -4.448 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.236 -6.402 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.900 -6.544 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.853 -4.577 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.716 -3.022 0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.040 -4.278 1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.009 -8.049 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.634 -6.816 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.960 -6.673 -0.366 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.118 -1.885 -1.555 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.195 -0.428 -1.717 1.00 0.00 C ATOM 1051 C VAL A 68 -6.502 0.105 -1.129 1.00 0.00 C ATOM 1052 O VAL A 68 -6.527 1.161 -0.513 1.00 0.00 O ATOM 1053 CB VAL A 68 -5.075 -0.003 -3.212 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.291 1.509 -3.388 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.712 -0.376 -3.725 1.00 0.00 C ATOM 0 H VAL A 68 -4.999 -2.392 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.352 0.004 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.849 -0.523 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.200 1.769 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.285 1.778 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.541 2.053 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.623 -0.081 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.950 0.136 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.573 -1.454 -3.639 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.571 -0.656 -1.294 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.868 -0.309 -0.749 1.00 0.00 C ATOM 1067 C LYS A 69 -8.800 -0.230 0.769 1.00 0.00 C ATOM 1068 O LYS A 69 -9.371 0.669 1.369 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.883 -1.337 -1.134 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.282 -0.919 -0.803 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.052 -0.516 -2.035 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.529 0.788 -2.629 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.220 1.128 -3.880 1.00 0.00 N ATOM 0 H LYS A 69 -7.561 -1.535 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.157 0.661 -1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.810 -1.531 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.657 -2.273 -0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.798 -1.739 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.256 -0.085 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.985 -1.308 -2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.107 -0.404 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.661 1.595 -1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.459 0.700 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.839 2.020 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.073 0.369 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.238 1.236 -3.696 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.097 -1.176 1.369 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.841 -1.182 2.804 1.00 0.00 C ATOM 1089 C GLU A 70 -7.132 0.092 3.229 1.00 0.00 C ATOM 1090 O GLU A 70 -7.496 0.715 4.227 1.00 0.00 O ATOM 1091 CB GLU A 70 -6.999 -2.399 3.183 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.779 -3.656 3.428 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.588 -3.551 4.683 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.079 -3.868 5.753 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.745 -3.122 4.619 1.00 0.00 O ATOM 0 H GLU A 70 -7.685 -1.967 0.874 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.798 -1.235 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.278 -2.586 2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.428 -2.162 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.438 -3.850 2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.097 -4.503 3.501 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.139 0.489 2.446 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.369 1.699 2.725 1.00 0.00 C ATOM 1104 C ILE A 71 -6.283 2.916 2.557 1.00 0.00 C ATOM 1105 O ILE A 71 -6.232 3.871 3.341 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.155 1.879 1.745 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.371 0.582 1.499 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.214 2.959 2.231 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.786 -0.077 2.696 1.00 0.00 C ATOM 0 H ILE A 71 -5.844 -0.011 1.607 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.984 1.610 3.741 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.592 2.177 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.035 -0.130 1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.563 0.799 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.384 3.060 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.750 3.906 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.829 2.690 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.258 -0.981 2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.088 0.605 3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.582 -0.339 3.393 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.089 2.864 1.520 1.00 0.00 N ATOM 1122 CA LYS A 72 -8.020 3.916 1.167 1.00 0.00 C ATOM 1123 C LYS A 72 -9.070 4.117 2.235 1.00 0.00 C ATOM 1124 O LYS A 72 -9.131 5.171 2.842 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.712 3.560 -0.162 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.831 4.520 -0.564 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.288 5.833 -1.056 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.729 5.683 -2.456 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.783 5.481 -3.464 1.00 0.00 N ATOM 0 H LYS A 72 -7.117 2.069 0.882 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.456 4.843 1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.964 3.540 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.122 2.553 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.440 4.063 -1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.485 4.694 0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.077 6.585 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.508 6.186 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.152 6.572 -2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.040 4.838 -2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.378 5.587 -4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.183 4.526 -3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.534 6.187 -3.327 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.824 3.079 2.517 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.944 3.170 3.423 1.00 0.00 C ATOM 1145 C GLU A 73 -10.528 3.522 4.825 1.00 0.00 C ATOM 1146 O GLU A 73 -11.211 4.295 5.500 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.771 1.896 3.405 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.578 1.705 2.140 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.579 2.812 1.950 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.479 2.966 2.804 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -13.480 3.578 0.968 1.00 0.00 O ATOM 0 H GLU A 73 -9.678 2.149 2.125 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.567 3.989 3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.106 1.042 3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.449 1.903 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.907 1.669 1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.097 0.747 2.180 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.395 3.013 5.244 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.939 3.248 6.576 1.00 0.00 C ATOM 1160 C TRP A 74 -8.412 4.691 6.730 1.00 0.00 C ATOM 1161 O TRP A 74 -8.779 5.397 7.675 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.893 2.205 6.932 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.387 2.268 8.326 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.937 1.700 9.429 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.211 2.919 8.751 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.155 1.964 10.522 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.085 2.711 10.125 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.257 3.656 8.086 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.025 3.218 10.852 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.206 4.172 8.783 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.085 3.948 10.163 1.00 0.00 C ATOM 0 H TRP A 74 -8.777 2.434 4.675 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.769 3.150 7.276 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.317 1.215 6.761 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.049 2.313 6.251 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.852 1.127 9.443 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.342 1.653 11.475 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.341 3.824 7.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.938 3.048 11.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.459 4.759 8.269 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.238 4.357 10.694 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.608 5.151 5.778 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.032 6.497 5.849 1.00 0.00 C ATOM 1184 C ARG A 75 -8.055 7.571 5.577 1.00 0.00 C ATOM 1185 O ARG A 75 -8.026 8.631 6.215 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.836 6.624 4.928 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.533 6.152 5.561 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.524 5.700 4.535 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.240 6.714 3.517 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.746 6.719 2.267 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.701 5.862 1.923 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.330 7.605 1.386 1.00 0.00 N ATOM 0 H ARG A 75 -7.339 4.618 4.951 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.687 6.646 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.021 6.047 4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.728 7.666 4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.106 6.961 6.154 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.742 5.331 6.247 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.596 5.433 5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.892 4.798 4.047 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.611 7.475 3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.057 5.194 2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.078 5.872 0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.622 8.291 1.648 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.716 7.605 0.442 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.987 7.283 4.685 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.040 8.223 4.343 1.00 0.00 C ATOM 1208 C ALA A 76 -10.987 8.437 5.528 1.00 0.00 C ATOM 1209 O ALA A 76 -11.526 9.532 5.719 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.813 7.745 3.105 1.00 0.00 C ATOM 0 H ALA A 76 -9.035 6.398 4.181 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.576 9.181 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.597 8.463 2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.130 7.659 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.262 6.773 3.309 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.148 7.400 6.347 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.049 7.456 7.493 1.00 0.00 C ATOM 1218 C ALA A 77 -11.348 8.112 8.657 1.00 0.00 C ATOM 1219 O ALA A 77 -11.919 8.927 9.386 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.507 6.056 7.881 1.00 0.00 C ATOM 0 H ALA A 77 -10.664 6.509 6.237 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.927 8.043 7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.178 6.117 8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.031 5.599 7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.640 5.449 8.142 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.099 7.747 8.813 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.255 8.251 9.873 1.00 0.00 C ATOM 1228 C ASN A 78 -8.935 9.721 9.709 1.00 0.00 C ATOM 1229 O ASN A 78 -8.818 10.450 10.686 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.969 7.438 9.961 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.051 6.288 10.949 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.745 6.453 12.130 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.438 5.135 10.490 1.00 0.00 N ATOM 0 H ASN A 78 -9.631 7.081 8.198 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.814 8.145 10.803 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.729 7.043 8.974 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.150 8.097 10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.496 4.331 11.115 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.684 5.035 9.505 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.811 10.157 8.486 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.488 11.541 8.238 1.00 0.00 C ATOM 1242 C GLY A 79 -7.019 11.718 7.982 1.00 0.00 C ATOM 1243 O GLY A 79 -6.414 12.711 8.381 1.00 0.00 O ATOM 0 H GLY A 79 -8.927 9.583 7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.055 11.902 7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.786 12.146 9.094 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.439 10.732 7.345 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.070 10.760 6.989 1.00 0.00 C ATOM 1249 C LYS A 80 -4.923 11.269 5.572 1.00 0.00 C ATOM 1250 O LYS A 80 -5.912 11.727 4.961 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.458 9.377 7.138 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.194 8.948 8.576 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.201 7.801 8.609 1.00 0.00 C ATOM 1254 CE LYS A 80 -2.899 7.325 10.027 1.00 0.00 C ATOM 1255 NZ LYS A 80 -1.699 6.473 10.088 1.00 0.00 N ATOM 0 H LYS A 80 -6.925 9.881 7.062 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.537 11.436 7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.122 8.649 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.518 9.349 6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.806 9.790 9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.128 8.644 9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.595 6.968 8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.273 8.115 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.761 8.190 10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.755 6.771 10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.648 6.012 11.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.750 5.748 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.851 7.057 9.944 1.00 0.00 H new ATOM 1269 N SER A 81 -3.719 11.216 5.059 1.00 0.00 N ATOM 1270 CA SER A 81 -3.417 11.642 3.737 1.00 0.00 C ATOM 1271 C SER A 81 -4.156 10.770 2.685 1.00 0.00 C ATOM 1272 O SER A 81 -4.751 9.729 3.023 1.00 0.00 O ATOM 1273 CB SER A 81 -1.926 11.520 3.595 1.00 0.00 C ATOM 1274 OG SER A 81 -1.272 12.228 4.641 1.00 0.00 O ATOM 0 H SER A 81 -2.910 10.865 5.571 1.00 0.00 H new ATOM 0 HA SER A 81 -3.748 12.666 3.565 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.636 10.470 3.621 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.612 11.914 2.628 1.00 0.00 H new ATOM 0 HG SER A 81 -0.301 12.140 4.539 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.104 11.169 1.437 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.802 10.439 0.410 1.00 0.00 C ATOM 1282 C GLY A 82 -3.866 10.040 -0.685 1.00 0.00 C ATOM 1283 O GLY A 82 -2.675 9.841 -0.429 1.00 0.00 O ATOM 0 H GLY A 82 -3.590 11.988 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.266 9.551 0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.605 11.053 0.003 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.376 9.856 -1.859 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.569 9.629 -2.997 1.00 0.00 C ATOM 1289 C PHE A 83 -3.769 10.808 -3.915 1.00 0.00 C ATOM 1290 O PHE A 83 -4.693 11.609 -3.711 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.991 8.362 -3.735 1.00 0.00 C ATOM 1292 CG PHE A 83 -4.061 7.112 -2.894 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.962 6.678 -2.187 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.237 6.379 -2.807 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -3.028 5.543 -1.413 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.303 5.231 -2.025 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.196 4.820 -1.332 1.00 0.00 C ATOM 0 H PHE A 83 -5.378 9.860 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.529 9.510 -2.692 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.970 8.533 -4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.292 8.189 -4.553 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.038 7.235 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.110 6.704 -3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.157 5.217 -0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.222 4.667 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.239 3.929 -0.723 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.930 10.937 -4.883 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.077 11.954 -5.876 1.00 0.00 C ATOM 1309 C LYS A 84 -4.122 11.461 -6.870 1.00 0.00 C ATOM 1310 O LYS A 84 -4.133 10.283 -7.236 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.739 12.163 -6.588 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.693 13.306 -7.598 1.00 0.00 C ATOM 1313 CD LYS A 84 -1.327 14.622 -6.940 1.00 0.00 C ATOM 1314 CE LYS A 84 0.163 14.679 -6.615 1.00 0.00 C ATOM 1315 NZ LYS A 84 0.988 14.759 -7.843 1.00 0.00 N ATOM 0 H LYS A 84 -2.115 10.337 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.384 12.900 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.972 12.339 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.475 11.239 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.967 13.074 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.663 13.400 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.590 15.448 -7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.907 14.748 -6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.365 15.544 -5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.445 13.795 -6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.935 15.114 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.070 13.813 -8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.538 15.406 -8.522 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.004 12.315 -7.256 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.046 11.954 -8.244 1.00 0.00 C ATOM 1331 C GLN A 85 -5.699 12.508 -9.601 1.00 0.00 C ATOM 1332 O GLN A 85 -6.384 12.286 -10.607 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.473 12.366 -7.807 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.600 13.810 -7.320 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.081 13.981 -5.904 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.188 13.076 -5.072 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -6.473 15.090 -5.632 1.00 0.00 N ATOM 0 H GLN A 85 -5.053 13.277 -6.922 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.061 10.866 -8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.152 12.219 -8.647 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.802 11.698 -7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.048 14.468 -7.990 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.645 14.116 -7.362 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.401 15.819 -6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.066 15.235 -4.708 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.620 13.171 -9.604 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.093 13.808 -10.752 1.00 0.00 C ATOM 1348 C GLY A 86 -4.014 15.273 -10.506 1.00 0.00 C ATOM 1349 O GLY A 86 -3.949 15.675 -9.319 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.969 16.047 -11.460 1.00 0.00 O ATOM 0 H GLY A 86 -4.045 13.296 -8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.104 13.412 -10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.725 13.606 -11.617 1.00 0.00 H new