USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 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 87 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 91 GLN : amide:sc=-0.00723 K(o=-0.0072,f=-0.93) USER MOD Set 2.1: A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 72 MET CE :methyl 147:sc= -2.02 (180deg=-3.62!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.442 F(o=-1.7,f=-0.44) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0101 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -49:sc= -2.83! USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 150:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -6.33! C(o=-6.3!,f=-12!) USER MOD Single : A 78 ASN : amide:sc= 0.0352 K(o=0.035,f=-1.6) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -55:sc= 0.59 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -3.33! C(o=-3.3!,f=-3.1!) USER MOD Single : A 98 SER OG : rot 41:sc= 1.22 USER MOD Single : A 104 CYS SG : rot 180:sc= -0.0869 USER MOD Single : A 110 ASN : amide:sc= -0.596 K(o=-0.6,f=-2!) USER MOD Single : A 111 MET CE :methyl 169:sc= -0.815 (180deg=-1.14) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.048 -13.720 5.520 1.00 0.00 N ATOM 84 CA TYR A 9 -8.020 -14.466 4.274 1.00 0.00 C ATOM 85 C TYR A 9 -7.407 -15.852 4.479 1.00 0.00 C ATOM 86 O TYR A 9 -6.687 -16.080 5.449 1.00 0.00 O ATOM 87 CB TYR A 9 -7.130 -13.664 3.322 1.00 0.00 C ATOM 88 CG TYR A 9 -7.829 -12.463 2.680 1.00 0.00 C ATOM 89 CD1 TYR A 9 -9.099 -12.603 2.158 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.189 -11.242 2.623 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.757 -11.474 1.554 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.846 -10.113 2.018 1.00 0.00 C ATOM 93 CZ TYR A 9 -9.099 -10.284 1.513 1.00 0.00 C ATOM 94 OH TYR A 9 -9.719 -9.217 0.943 1.00 0.00 O ATOM 0 HA TYR A 9 -9.029 -14.604 3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.255 -13.313 3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.769 -14.325 2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.599 -13.559 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.195 -11.133 3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.751 -11.570 1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.356 -9.152 1.966 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.130 -8.435 0.986 1.00 0.00 H new ATOM 104 N ILE A 10 -7.716 -16.744 3.548 1.00 0.00 N ATOM 105 CA ILE A 10 -7.205 -18.103 3.614 1.00 0.00 C ATOM 106 C ILE A 10 -5.676 -18.067 3.649 1.00 0.00 C ATOM 107 O ILE A 10 -5.051 -18.780 4.433 1.00 0.00 O ATOM 108 CB ILE A 10 -7.775 -18.945 2.471 1.00 0.00 C ATOM 109 CG1 ILE A 10 -7.258 -18.454 1.118 1.00 0.00 C ATOM 110 CG2 ILE A 10 -9.304 -18.979 2.525 1.00 0.00 C ATOM 111 CD1 ILE A 10 -5.925 -19.116 0.766 1.00 0.00 C ATOM 0 H ILE A 10 -8.314 -16.552 2.744 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.533 -18.590 4.532 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.427 -19.970 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.992 -18.673 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.135 -17.371 1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.684 -19.584 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.625 -19.413 3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.694 -17.965 2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.580 -18.749 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.186 -18.875 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.057 -20.197 0.717 1.00 0.00 H new ATOM 123 N PHE A 11 -5.116 -17.228 2.790 1.00 0.00 N ATOM 124 CA PHE A 11 -3.672 -17.089 2.711 1.00 0.00 C ATOM 125 C PHE A 11 -3.139 -16.239 3.868 1.00 0.00 C ATOM 126 O PHE A 11 -3.894 -15.505 4.502 1.00 0.00 O ATOM 127 CB PHE A 11 -3.361 -16.383 1.390 1.00 0.00 C ATOM 128 CG PHE A 11 -4.177 -15.110 1.157 1.00 0.00 C ATOM 129 CD1 PHE A 11 -3.762 -13.929 1.689 1.00 0.00 C ATOM 130 CD2 PHE A 11 -5.319 -15.160 0.420 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.520 -12.748 1.473 1.00 0.00 C ATOM 132 CE2 PHE A 11 -6.077 -13.979 0.205 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.661 -12.797 0.735 1.00 0.00 C ATOM 0 H PHE A 11 -5.637 -16.637 2.142 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.200 -18.070 2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.301 -16.132 1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.544 -17.075 0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.856 -13.890 2.276 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.649 -16.098 -0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.190 -11.810 1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.984 -14.019 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.237 -11.898 0.570 1.00 0.00 H new ATOM 143 N PRO A 12 -1.808 -16.374 4.113 1.00 0.00 N ATOM 144 CA PRO A 12 -1.166 -15.628 5.182 1.00 0.00 C ATOM 145 C PRO A 12 -0.982 -14.159 4.792 1.00 0.00 C ATOM 146 O PRO A 12 -0.278 -13.852 3.831 1.00 0.00 O ATOM 147 CB PRO A 12 0.150 -16.346 5.428 1.00 0.00 C ATOM 148 CG PRO A 12 0.408 -17.181 4.184 1.00 0.00 C ATOM 149 CD PRO A 12 -0.883 -17.235 3.383 1.00 0.00 C ATOM 0 HA PRO A 12 -1.765 -15.599 6.092 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.958 -15.634 5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.091 -16.976 6.316 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.209 -16.742 3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.729 -18.186 4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.732 -16.880 2.364 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.263 -18.254 3.312 1.00 0.00 H new ATOM 157 N HIS A 13 -1.627 -13.292 5.557 1.00 0.00 N ATOM 158 CA HIS A 13 -1.544 -11.864 5.304 1.00 0.00 C ATOM 159 C HIS A 13 -1.249 -11.126 6.612 1.00 0.00 C ATOM 160 O HIS A 13 -1.419 -11.685 7.695 1.00 0.00 O ATOM 161 CB HIS A 13 -2.812 -11.359 4.613 1.00 0.00 C ATOM 162 CG HIS A 13 -3.933 -11.013 5.563 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.301 -11.575 6.751 1.00 0.00 N flip ATOM 164 CD2 HIS A 13 -4.822 -9.977 5.330 1.00 0.00 C flip ATOM 165 CE1 HIS A 13 -5.356 -10.918 7.217 1.00 0.00 C flip ATOM 166 NE2 HIS A 13 -5.680 -9.928 6.338 1.00 0.00 N flip ATOM 0 H HIS A 13 -2.210 -13.551 6.353 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.721 -11.661 4.619 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.565 -10.477 4.022 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.162 -12.121 3.917 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -3.843 -12.366 7.204 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.817 -9.321 4.472 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.873 -11.133 8.141 1.00 0.00 H new ATOM 174 N ALA A 14 -0.810 -9.884 6.468 1.00 0.00 N ATOM 175 CA ALA A 14 -0.490 -9.066 7.625 1.00 0.00 C ATOM 176 C ALA A 14 -1.180 -7.707 7.489 1.00 0.00 C ATOM 177 O ALA A 14 -0.877 -6.941 6.574 1.00 0.00 O ATOM 178 CB ALA A 14 1.030 -8.938 7.754 1.00 0.00 C ATOM 0 H ALA A 14 -0.669 -9.425 5.568 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.857 -9.532 8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.271 -8.324 8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.469 -9.928 7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.433 -8.470 6.856 1.00 0.00 H new ATOM 184 N ARG A 15 -2.093 -7.448 8.412 1.00 0.00 N ATOM 185 CA ARG A 15 -2.828 -6.194 8.407 1.00 0.00 C ATOM 186 C ARG A 15 -2.295 -5.262 9.498 1.00 0.00 C ATOM 187 O ARG A 15 -2.825 -5.232 10.607 1.00 0.00 O ATOM 188 CB ARG A 15 -4.323 -6.431 8.634 1.00 0.00 C ATOM 189 CG ARG A 15 -5.036 -6.735 7.316 1.00 0.00 C ATOM 190 CD ARG A 15 -6.548 -6.842 7.522 1.00 0.00 C ATOM 191 NE ARG A 15 -7.082 -5.558 8.027 1.00 0.00 N ATOM 192 CZ ARG A 15 -7.132 -5.222 9.324 1.00 0.00 C ATOM 193 NH1 ARG A 15 -6.681 -6.075 10.255 1.00 0.00 N ATOM 194 NH2 ARG A 15 -7.633 -4.034 9.690 1.00 0.00 N ATOM 0 H ARG A 15 -2.341 -8.085 9.169 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.689 -5.732 7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.462 -7.261 9.327 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.768 -5.551 9.098 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.819 -5.950 6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.655 -7.667 6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.034 -7.103 6.582 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.771 -7.641 8.229 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.434 -4.886 7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.300 -6.979 9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.719 -5.820 11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.976 -3.385 8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.671 -3.779 10.677 1.00 0.00 H new ATOM 208 N ILE A 16 -1.254 -4.524 9.142 1.00 0.00 N ATOM 209 CA ILE A 16 -0.643 -3.593 10.076 1.00 0.00 C ATOM 210 C ILE A 16 -0.630 -2.193 9.459 1.00 0.00 C ATOM 211 O ILE A 16 -0.096 -1.997 8.368 1.00 0.00 O ATOM 212 CB ILE A 16 0.739 -4.090 10.502 1.00 0.00 C ATOM 213 CG1 ILE A 16 0.637 -5.420 11.252 1.00 0.00 C ATOM 214 CG2 ILE A 16 1.477 -3.028 11.319 1.00 0.00 C ATOM 215 CD1 ILE A 16 0.613 -6.600 10.278 1.00 0.00 C ATOM 0 H ILE A 16 -0.818 -4.552 8.220 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.230 -3.533 10.992 1.00 0.00 H new ATOM 0 HB ILE A 16 1.328 -4.271 9.603 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.482 -5.523 11.933 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.266 -5.429 11.862 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.457 -3.408 11.609 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.600 -2.127 10.718 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.901 -2.791 12.213 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.540 -7.532 10.838 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.247 -6.507 9.615 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.529 -6.602 9.687 1.00 0.00 H new ATOM 227 N LYS A 17 -1.223 -1.256 10.184 1.00 0.00 N ATOM 228 CA LYS A 17 -1.287 0.120 9.720 1.00 0.00 C ATOM 229 C LYS A 17 0.031 0.825 10.049 1.00 0.00 C ATOM 230 O LYS A 17 0.548 0.697 11.158 1.00 0.00 O ATOM 231 CB LYS A 17 -2.519 0.822 10.294 1.00 0.00 C ATOM 232 CG LYS A 17 -2.119 1.868 11.336 1.00 0.00 C ATOM 233 CD LYS A 17 -1.676 1.202 12.640 1.00 0.00 C ATOM 234 CE LYS A 17 -2.557 1.647 13.809 1.00 0.00 C ATOM 235 NZ LYS A 17 -3.406 0.526 14.273 1.00 0.00 N ATOM 0 H LYS A 17 -1.663 -1.422 11.089 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.406 0.152 8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.077 1.300 9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.182 0.086 10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.310 2.485 10.945 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.961 2.533 11.531 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.726 0.118 12.534 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.636 1.455 12.847 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.932 2.002 14.629 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.185 2.484 13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.998 0.844 15.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.015 0.206 13.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.802 -0.261 14.585 1.00 0.00 H new ATOM 249 N ILE A 18 0.537 1.553 9.065 1.00 0.00 N ATOM 250 CA ILE A 18 1.785 2.278 9.234 1.00 0.00 C ATOM 251 C ILE A 18 1.544 3.495 10.131 1.00 0.00 C ATOM 252 O ILE A 18 0.768 4.383 9.781 1.00 0.00 O ATOM 253 CB ILE A 18 2.392 2.626 7.875 1.00 0.00 C ATOM 254 CG1 ILE A 18 2.473 1.389 6.978 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.754 3.305 8.040 1.00 0.00 C ATOM 256 CD1 ILE A 18 2.074 1.727 5.540 1.00 0.00 C ATOM 0 H ILE A 18 0.105 1.657 8.147 1.00 0.00 H new ATOM 0 HA ILE A 18 2.524 1.653 9.735 1.00 0.00 H new ATOM 0 HB ILE A 18 1.734 3.340 7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.487 0.990 6.993 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.818 0.610 7.367 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.164 3.542 7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.635 4.223 8.615 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.434 2.634 8.565 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.140 0.830 4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.051 2.103 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.746 2.489 5.145 1.00 0.00 H new ATOM 268 N THR A 19 2.224 3.497 11.268 1.00 0.00 N ATOM 269 CA THR A 19 2.094 4.590 12.216 1.00 0.00 C ATOM 270 C THR A 19 3.280 5.549 12.091 1.00 0.00 C ATOM 271 O THR A 19 4.433 5.128 12.169 1.00 0.00 O ATOM 272 CB THR A 19 1.944 3.988 13.614 1.00 0.00 C ATOM 273 OG1 THR A 19 2.459 2.666 13.480 1.00 0.00 O ATOM 274 CG2 THR A 19 0.480 3.779 14.008 1.00 0.00 C ATOM 0 H THR A 19 2.867 2.759 11.554 1.00 0.00 H new ATOM 0 HA THR A 19 1.208 5.190 12.008 1.00 0.00 H new ATOM 0 HB THR A 19 2.427 4.639 14.343 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.401 2.204 14.342 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.430 3.350 15.009 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.040 4.737 13.998 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.005 3.101 13.298 1.00 0.00 H new ATOM 449 N LEU A 32 4.176 9.402 4.367 1.00 0.00 N ATOM 450 CA LEU A 32 4.733 8.226 5.012 1.00 0.00 C ATOM 451 C LEU A 32 5.873 7.672 4.155 1.00 0.00 C ATOM 452 O LEU A 32 5.756 7.599 2.933 1.00 0.00 O ATOM 453 CB LEU A 32 3.633 7.204 5.307 1.00 0.00 C ATOM 454 CG LEU A 32 2.421 7.728 6.081 1.00 0.00 C ATOM 455 CD1 LEU A 32 1.162 6.934 5.731 1.00 0.00 C ATOM 456 CD2 LEU A 32 2.695 7.736 7.587 1.00 0.00 C ATOM 0 HA LEU A 32 5.159 8.489 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.284 6.792 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.071 6.381 5.871 1.00 0.00 H new ATOM 0 HG LEU A 32 2.243 8.761 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.316 7.327 6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.960 7.024 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.311 5.885 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.818 8.113 8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.913 6.722 7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.549 8.379 7.798 1.00 0.00 H new ATOM 468 N GLY A 33 6.949 7.294 4.830 1.00 0.00 N ATOM 469 CA GLY A 33 8.108 6.748 4.146 1.00 0.00 C ATOM 470 C GLY A 33 7.807 5.359 3.578 1.00 0.00 C ATOM 471 O GLY A 33 8.325 4.358 4.071 1.00 0.00 O ATOM 0 H GLY A 33 7.042 7.355 5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.407 7.417 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.948 6.687 4.838 1.00 0.00 H new ATOM 475 N ILE A 34 6.971 5.343 2.551 1.00 0.00 N ATOM 476 CA ILE A 34 6.595 4.094 1.911 1.00 0.00 C ATOM 477 C ILE A 34 6.382 4.335 0.415 1.00 0.00 C ATOM 478 O ILE A 34 5.684 5.271 0.027 1.00 0.00 O ATOM 479 CB ILE A 34 5.383 3.476 2.613 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.025 2.122 1.999 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.195 4.441 2.607 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.304 1.232 3.014 1.00 0.00 C ATOM 0 H ILE A 34 6.543 6.175 2.146 1.00 0.00 H new ATOM 0 HA ILE A 34 7.397 3.362 2.005 1.00 0.00 H new ATOM 0 HB ILE A 34 5.647 3.297 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.390 2.271 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.931 1.625 1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.347 3.978 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.469 5.359 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.921 4.675 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.061 0.275 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.951 1.065 3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.386 1.721 3.339 1.00 0.00 H new ATOM 494 N ARG A 35 6.996 3.475 -0.383 1.00 0.00 N ATOM 495 CA ARG A 35 6.882 3.582 -1.828 1.00 0.00 C ATOM 496 C ARG A 35 6.056 2.421 -2.384 1.00 0.00 C ATOM 497 O ARG A 35 6.305 1.263 -2.051 1.00 0.00 O ATOM 498 CB ARG A 35 8.262 3.582 -2.491 1.00 0.00 C ATOM 499 CG ARG A 35 8.763 5.010 -2.713 1.00 0.00 C ATOM 500 CD ARG A 35 8.082 5.647 -3.926 1.00 0.00 C ATOM 501 NE ARG A 35 8.860 5.359 -5.153 1.00 0.00 N ATOM 502 CZ ARG A 35 8.360 5.433 -6.393 1.00 0.00 C ATOM 503 NH1 ARG A 35 7.081 5.786 -6.581 1.00 0.00 N ATOM 504 NH2 ARG A 35 9.139 5.154 -7.447 1.00 0.00 N ATOM 0 H ARG A 35 7.574 2.701 -0.057 1.00 0.00 H new ATOM 0 HA ARG A 35 6.384 4.525 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.970 3.037 -1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.211 3.058 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.567 5.610 -1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.843 5.002 -2.860 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.068 5.260 -4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.999 6.724 -3.783 1.00 0.00 H new ATOM 0 HE ARG A 35 9.837 5.087 -5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.487 5.999 -5.779 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.701 5.842 -7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.113 4.885 -7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.758 5.210 -8.392 1.00 0.00 H new ATOM 518 N ILE A 36 5.091 2.770 -3.221 1.00 0.00 N ATOM 519 CA ILE A 36 4.227 1.771 -3.826 1.00 0.00 C ATOM 520 C ILE A 36 3.987 2.131 -5.294 1.00 0.00 C ATOM 521 O ILE A 36 3.713 3.287 -5.615 1.00 0.00 O ATOM 522 CB ILE A 36 2.941 1.611 -3.013 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.226 0.959 -1.659 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.882 0.844 -3.808 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.983 0.982 -0.767 1.00 0.00 C ATOM 0 H ILE A 36 4.888 3.731 -3.495 1.00 0.00 H new ATOM 0 HA ILE A 36 4.708 0.793 -3.812 1.00 0.00 H new ATOM 0 HB ILE A 36 2.537 2.603 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.552 -0.070 -1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.043 1.483 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.978 0.744 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.651 1.387 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.262 -0.146 -4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.213 0.512 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.674 2.014 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.175 0.436 -1.254 1.00 0.00 H new ATOM 537 N VAL A 37 4.098 1.122 -6.144 1.00 0.00 N ATOM 538 CA VAL A 37 3.897 1.318 -7.570 1.00 0.00 C ATOM 539 C VAL A 37 2.722 0.456 -8.036 1.00 0.00 C ATOM 540 O VAL A 37 2.753 -0.766 -7.906 1.00 0.00 O ATOM 541 CB VAL A 37 5.192 1.024 -8.327 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.924 0.844 -9.823 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.231 2.122 -8.084 1.00 0.00 C ATOM 0 H VAL A 37 4.325 0.165 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 37 3.643 2.357 -7.782 1.00 0.00 H new ATOM 0 HB VAL A 37 5.598 0.088 -7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.862 0.636 -10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.236 0.012 -9.972 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.483 1.756 -10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.143 1.888 -8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.836 3.079 -8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.455 2.182 -7.019 1.00 0.00 H new ATOM 553 N GLY A 38 1.713 1.128 -8.574 1.00 0.00 N ATOM 554 CA GLY A 38 0.531 0.440 -9.062 1.00 0.00 C ATOM 555 C GLY A 38 0.705 0.020 -10.524 1.00 0.00 C ATOM 556 O GLY A 38 1.749 0.268 -11.123 1.00 0.00 O ATOM 0 H GLY A 38 1.691 2.142 -8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.338 -0.440 -8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.338 1.091 -8.968 1.00 0.00 H new ATOM 560 N GLY A 39 -0.334 -0.609 -11.052 1.00 0.00 N ATOM 561 CA GLY A 39 -0.310 -1.064 -12.432 1.00 0.00 C ATOM 562 C GLY A 39 0.820 -2.071 -12.657 1.00 0.00 C ATOM 563 O GLY A 39 1.598 -1.937 -13.599 1.00 0.00 O ATOM 0 H GLY A 39 -1.198 -0.814 -10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.266 -1.522 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.180 -0.211 -13.098 1.00 0.00 H new ATOM 567 N LYS A 40 0.873 -3.059 -11.774 1.00 0.00 N ATOM 568 CA LYS A 40 1.895 -4.088 -11.864 1.00 0.00 C ATOM 569 C LYS A 40 1.230 -5.465 -11.823 1.00 0.00 C ATOM 570 O LYS A 40 0.412 -5.736 -10.945 1.00 0.00 O ATOM 571 CB LYS A 40 2.957 -3.885 -10.782 1.00 0.00 C ATOM 572 CG LYS A 40 4.366 -3.983 -11.371 1.00 0.00 C ATOM 573 CD LYS A 40 5.221 -4.978 -10.582 1.00 0.00 C ATOM 574 CE LYS A 40 6.703 -4.823 -10.930 1.00 0.00 C ATOM 575 NZ LYS A 40 7.517 -5.803 -10.177 1.00 0.00 N ATOM 0 H LYS A 40 0.225 -3.168 -10.994 1.00 0.00 H new ATOM 0 HA LYS A 40 2.425 -4.017 -12.814 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.822 -2.910 -10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.833 -4.634 -10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.307 -4.295 -12.414 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.839 -3.001 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.076 -4.820 -9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.897 -5.995 -10.801 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.848 -4.967 -12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.034 -3.811 -10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.520 -5.684 -10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.392 -5.647 -9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.212 -6.767 -10.420 1.00 0.00 H new ATOM 589 N GLU A 41 1.607 -6.298 -12.781 1.00 0.00 N ATOM 590 CA GLU A 41 1.058 -7.641 -12.865 1.00 0.00 C ATOM 591 C GLU A 41 1.333 -8.409 -11.570 1.00 0.00 C ATOM 592 O GLU A 41 2.419 -8.307 -11.004 1.00 0.00 O ATOM 593 CB GLU A 41 1.618 -8.388 -14.077 1.00 0.00 C ATOM 594 CG GLU A 41 0.501 -9.081 -14.858 1.00 0.00 C ATOM 595 CD GLU A 41 1.073 -9.925 -15.999 1.00 0.00 C ATOM 596 OE1 GLU A 41 1.942 -10.772 -15.699 1.00 0.00 O ATOM 597 OE2 GLU A 41 0.627 -9.704 -17.146 1.00 0.00 O ATOM 0 H GLU A 41 2.287 -6.069 -13.506 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.021 -7.564 -12.996 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.143 -7.689 -14.729 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.349 -9.127 -13.748 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.078 -9.715 -14.187 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.184 -8.334 -15.261 1.00 0.00 H new ATOM 604 N ILE A 42 0.330 -9.160 -11.141 1.00 0.00 N ATOM 605 CA ILE A 42 0.450 -9.945 -9.924 1.00 0.00 C ATOM 606 C ILE A 42 0.932 -11.354 -10.277 1.00 0.00 C ATOM 607 O ILE A 42 0.422 -11.974 -11.209 1.00 0.00 O ATOM 608 CB ILE A 42 -0.863 -9.924 -9.139 1.00 0.00 C ATOM 609 CG1 ILE A 42 -1.371 -8.491 -8.961 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.715 -10.650 -7.802 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.898 -8.458 -8.875 1.00 0.00 C ATOM 0 H ILE A 42 -0.570 -9.242 -11.614 1.00 0.00 H new ATOM 0 HA ILE A 42 1.197 -9.507 -9.262 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.615 -10.464 -9.715 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.943 -8.059 -8.056 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.037 -7.876 -9.797 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.663 -10.620 -7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.432 -11.687 -7.981 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.056 -10.161 -7.206 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.233 -7.429 -8.749 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.323 -8.868 -9.791 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.227 -9.054 -8.024 1.00 0.00 H new ATOM 623 N PRO A 43 1.937 -11.831 -9.494 1.00 0.00 N ATOM 624 CA PRO A 43 2.493 -13.154 -9.713 1.00 0.00 C ATOM 625 C PRO A 43 1.540 -14.241 -9.212 1.00 0.00 C ATOM 626 O PRO A 43 1.821 -14.908 -8.218 1.00 0.00 O ATOM 627 CB PRO A 43 3.824 -13.148 -8.980 1.00 0.00 C ATOM 628 CG PRO A 43 3.753 -11.993 -7.995 1.00 0.00 C ATOM 629 CD PRO A 43 2.566 -11.125 -8.381 1.00 0.00 C ATOM 0 HA PRO A 43 2.636 -13.379 -10.770 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.989 -14.093 -8.462 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.652 -13.017 -9.676 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.639 -12.366 -6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.675 -11.412 -8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.875 -11.005 -7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.886 -10.126 -8.676 1.00 0.00 H new ATOM 637 N GLY A 44 0.431 -14.385 -9.924 1.00 0.00 N ATOM 638 CA GLY A 44 -0.566 -15.379 -9.564 1.00 0.00 C ATOM 639 C GLY A 44 -1.870 -15.150 -10.330 1.00 0.00 C ATOM 640 O GLY A 44 -2.193 -15.900 -11.251 1.00 0.00 O ATOM 0 H GLY A 44 0.201 -13.830 -10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.184 -16.377 -9.779 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.757 -15.335 -8.492 1.00 0.00 H new ATOM 644 N HIS A 45 -2.585 -14.112 -9.923 1.00 0.00 N ATOM 645 CA HIS A 45 -3.846 -13.775 -10.560 1.00 0.00 C ATOM 646 C HIS A 45 -3.725 -13.970 -12.072 1.00 0.00 C ATOM 647 O HIS A 45 -2.641 -13.827 -12.636 1.00 0.00 O ATOM 648 CB HIS A 45 -4.287 -12.361 -10.178 1.00 0.00 C ATOM 649 CG HIS A 45 -5.372 -12.318 -9.129 1.00 0.00 C ATOM 650 ND1 HIS A 45 -6.706 -12.115 -9.437 1.00 0.00 N ATOM 651 CD2 HIS A 45 -5.307 -12.457 -7.773 1.00 0.00 C ATOM 652 CE1 HIS A 45 -7.403 -12.130 -8.310 1.00 0.00 C ATOM 653 NE2 HIS A 45 -6.533 -12.342 -7.280 1.00 0.00 N ATOM 0 H HIS A 45 -2.315 -13.493 -9.159 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.628 -14.445 -10.204 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.422 -11.808 -9.814 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.640 -11.848 -11.072 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.409 -12.631 -7.198 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.471 -11.998 -8.222 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.784 -12.402 -6.293 1.00 0.00 H new ATOM 661 N SER A 46 -4.853 -14.293 -12.688 1.00 0.00 N ATOM 662 CA SER A 46 -4.887 -14.509 -14.124 1.00 0.00 C ATOM 663 C SER A 46 -4.719 -13.177 -14.857 1.00 0.00 C ATOM 664 O SER A 46 -5.678 -12.422 -15.010 1.00 0.00 O ATOM 665 CB SER A 46 -6.192 -15.187 -14.548 1.00 0.00 C ATOM 666 OG SER A 46 -6.103 -16.607 -14.477 1.00 0.00 O ATOM 0 H SER A 46 -5.751 -14.410 -12.218 1.00 0.00 H new ATOM 0 HA SER A 46 -4.062 -15.170 -14.390 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.004 -14.842 -13.908 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.441 -14.890 -15.567 1.00 0.00 H new ATOM 0 HG SER A 46 -6.956 -17.002 -14.754 1.00 0.00 H new ATOM 672 N GLY A 47 -3.492 -12.929 -15.293 1.00 0.00 N ATOM 673 CA GLY A 47 -3.186 -11.701 -16.007 1.00 0.00 C ATOM 674 C GLY A 47 -3.949 -10.516 -15.412 1.00 0.00 C ATOM 675 O GLY A 47 -4.926 -10.047 -15.995 1.00 0.00 O ATOM 0 H GLY A 47 -2.699 -13.557 -15.165 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.114 -11.507 -15.962 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.446 -11.814 -17.060 1.00 0.00 H new ATOM 679 N GLU A 48 -3.474 -10.066 -14.260 1.00 0.00 N ATOM 680 CA GLU A 48 -4.100 -8.944 -13.580 1.00 0.00 C ATOM 681 C GLU A 48 -3.034 -8.023 -12.983 1.00 0.00 C ATOM 682 O GLU A 48 -1.985 -8.488 -12.540 1.00 0.00 O ATOM 683 CB GLU A 48 -5.072 -9.429 -12.502 1.00 0.00 C ATOM 684 CG GLU A 48 -6.259 -8.474 -12.364 1.00 0.00 C ATOM 685 CD GLU A 48 -7.073 -8.420 -13.660 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.763 -9.425 -13.938 1.00 0.00 O ATOM 687 OE2 GLU A 48 -6.986 -7.377 -14.342 1.00 0.00 O ATOM 0 H GLU A 48 -2.663 -10.457 -13.780 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.675 -8.376 -14.312 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.431 -10.427 -12.753 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.552 -9.509 -11.547 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.898 -8.798 -11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.900 -7.476 -12.114 1.00 0.00 H new ATOM 694 N ILE A 49 -3.340 -6.734 -12.991 1.00 0.00 N ATOM 695 CA ILE A 49 -2.421 -5.744 -12.456 1.00 0.00 C ATOM 696 C ILE A 49 -2.872 -5.343 -11.050 1.00 0.00 C ATOM 697 O ILE A 49 -4.061 -5.394 -10.737 1.00 0.00 O ATOM 698 CB ILE A 49 -2.286 -4.563 -13.419 1.00 0.00 C ATOM 699 CG1 ILE A 49 -3.652 -4.135 -13.957 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.300 -4.883 -14.545 1.00 0.00 C ATOM 701 CD1 ILE A 49 -3.631 -2.674 -14.409 1.00 0.00 C ATOM 0 H ILE A 49 -4.211 -6.352 -13.359 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.420 -6.165 -12.362 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.879 -3.716 -12.866 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.933 -4.774 -14.794 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.409 -4.269 -13.185 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.223 -4.027 -15.215 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.320 -5.101 -14.120 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.654 -5.750 -15.103 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.615 -2.396 -14.787 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.373 -2.035 -13.564 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.890 -2.548 -15.198 1.00 0.00 H new ATOM 713 N GLY A 50 -1.900 -4.952 -10.240 1.00 0.00 N ATOM 714 CA GLY A 50 -2.181 -4.543 -8.874 1.00 0.00 C ATOM 715 C GLY A 50 -1.155 -3.519 -8.386 1.00 0.00 C ATOM 716 O GLY A 50 -0.527 -2.831 -9.190 1.00 0.00 O ATOM 0 H GLY A 50 -0.916 -4.910 -10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.182 -4.115 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.169 -5.415 -8.220 1.00 0.00 H new ATOM 720 N ALA A 51 -1.016 -3.448 -7.070 1.00 0.00 N ATOM 721 CA ALA A 51 -0.077 -2.520 -6.465 1.00 0.00 C ATOM 722 C ALA A 51 0.886 -3.292 -5.560 1.00 0.00 C ATOM 723 O ALA A 51 0.542 -4.355 -5.046 1.00 0.00 O ATOM 724 CB ALA A 51 -0.846 -1.437 -5.708 1.00 0.00 C ATOM 0 H ALA A 51 -1.539 -4.019 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 51 0.518 -2.023 -7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.141 -0.740 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.493 -0.899 -6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.453 -1.899 -4.929 1.00 0.00 H new ATOM 730 N TYR A 52 2.073 -2.727 -5.394 1.00 0.00 N ATOM 731 CA TYR A 52 3.088 -3.349 -4.561 1.00 0.00 C ATOM 732 C TYR A 52 4.077 -2.308 -4.032 1.00 0.00 C ATOM 733 O TYR A 52 4.179 -1.210 -4.578 1.00 0.00 O ATOM 734 CB TYR A 52 3.835 -4.330 -5.467 1.00 0.00 C ATOM 735 CG TYR A 52 4.792 -3.659 -6.454 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.308 -3.129 -7.633 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.139 -3.584 -6.166 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.209 -2.498 -8.562 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.040 -2.953 -7.096 1.00 0.00 C ATOM 740 CZ TYR A 52 6.530 -2.441 -8.248 1.00 0.00 C ATOM 741 OH TYR A 52 7.382 -1.846 -9.126 1.00 0.00 O ATOM 0 H TYR A 52 2.354 -1.845 -5.822 1.00 0.00 H new ATOM 0 HA TYR A 52 2.631 -3.839 -3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.399 -5.026 -4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.108 -4.919 -6.025 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.253 -3.188 -7.859 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.518 -3.998 -5.243 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.843 -2.079 -9.488 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.097 -2.888 -6.883 1.00 0.00 H new ATOM 0 HH TYR A 52 8.294 -1.878 -8.769 1.00 0.00 H new ATOM 751 N ILE A 53 4.779 -2.689 -2.975 1.00 0.00 N ATOM 752 CA ILE A 53 5.757 -1.803 -2.366 1.00 0.00 C ATOM 753 C ILE A 53 7.025 -1.786 -3.220 1.00 0.00 C ATOM 754 O ILE A 53 7.732 -2.788 -3.309 1.00 0.00 O ATOM 755 CB ILE A 53 6.001 -2.196 -0.908 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.714 -2.090 -0.088 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.137 -1.370 -0.301 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.549 -3.303 0.831 1.00 0.00 C ATOM 0 H ILE A 53 4.690 -3.600 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 53 5.379 -0.781 -2.337 1.00 0.00 H new ATOM 0 HB ILE A 53 6.313 -3.240 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.732 -1.177 0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.857 -2.017 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.290 -1.669 0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.053 -1.540 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.878 -0.312 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.627 -3.203 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.507 -4.212 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.396 -3.359 1.515 1.00 0.00 H new ATOM 770 N ALA A 54 7.275 -0.635 -3.828 1.00 0.00 N ATOM 771 CA ALA A 54 8.447 -0.474 -4.673 1.00 0.00 C ATOM 772 C ALA A 54 9.702 -0.816 -3.866 1.00 0.00 C ATOM 773 O ALA A 54 10.507 -1.648 -4.285 1.00 0.00 O ATOM 774 CB ALA A 54 8.484 0.949 -5.231 1.00 0.00 C ATOM 0 H ALA A 54 6.686 0.195 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 54 8.404 -1.156 -5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.363 1.069 -5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.585 1.133 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.530 1.662 -4.408 1.00 0.00 H new ATOM 780 N LYS A 55 9.831 -0.157 -2.724 1.00 0.00 N ATOM 781 CA LYS A 55 10.973 -0.380 -1.855 1.00 0.00 C ATOM 782 C LYS A 55 10.745 0.338 -0.524 1.00 0.00 C ATOM 783 O LYS A 55 10.491 1.541 -0.500 1.00 0.00 O ATOM 784 CB LYS A 55 12.269 0.027 -2.560 1.00 0.00 C ATOM 785 CG LYS A 55 13.259 0.647 -1.572 1.00 0.00 C ATOM 786 CD LYS A 55 13.818 -0.413 -0.619 1.00 0.00 C ATOM 787 CE LYS A 55 14.799 0.209 0.377 1.00 0.00 C ATOM 788 NZ LYS A 55 16.139 0.355 -0.236 1.00 0.00 N ATOM 0 H LYS A 55 9.162 0.532 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 55 11.079 -1.441 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.720 -0.846 -3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.047 0.740 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.076 1.118 -2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.764 1.432 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.000 -0.890 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.320 -1.193 -1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.431 1.184 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.866 -0.415 1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.792 0.779 0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.494 -0.580 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.073 0.969 -1.073 1.00 0.00 H new ATOM 802 N ILE A 56 10.844 -0.430 0.551 1.00 0.00 N ATOM 803 CA ILE A 56 10.652 0.119 1.882 1.00 0.00 C ATOM 804 C ILE A 56 11.691 1.214 2.133 1.00 0.00 C ATOM 805 O ILE A 56 12.877 0.926 2.287 1.00 0.00 O ATOM 806 CB ILE A 56 10.670 -0.997 2.929 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.439 -1.895 2.794 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.807 -0.422 4.341 1.00 0.00 C ATOM 809 CD1 ILE A 56 9.142 -2.620 4.109 1.00 0.00 C ATOM 0 H ILE A 56 11.055 -1.428 0.527 1.00 0.00 H new ATOM 0 HA ILE A 56 9.671 0.586 1.963 1.00 0.00 H new ATOM 0 HB ILE A 56 11.546 -1.621 2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.577 -1.295 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.602 -2.625 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.817 -1.236 5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.737 0.142 4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.965 0.238 4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.262 -3.252 3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.997 -3.238 4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.955 -1.887 4.894 1.00 0.00 H new ATOM 821 N LEU A 57 11.207 2.447 2.168 1.00 0.00 N ATOM 822 CA LEU A 57 12.078 3.587 2.398 1.00 0.00 C ATOM 823 C LEU A 57 13.118 3.223 3.460 1.00 0.00 C ATOM 824 O LEU A 57 12.874 2.360 4.303 1.00 0.00 O ATOM 825 CB LEU A 57 11.255 4.829 2.744 1.00 0.00 C ATOM 826 CG LEU A 57 10.606 5.554 1.563 1.00 0.00 C ATOM 827 CD1 LEU A 57 11.532 6.638 1.008 1.00 0.00 C ATOM 828 CD2 LEU A 57 10.172 4.562 0.483 1.00 0.00 C ATOM 0 H LEU A 57 10.222 2.681 2.041 1.00 0.00 H new ATOM 0 HA LEU A 57 12.624 3.838 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.470 4.538 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.901 5.534 3.267 1.00 0.00 H new ATOM 0 HG LEU A 57 9.706 6.054 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.046 7.137 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.748 7.367 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.463 6.183 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.714 5.103 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.042 4.014 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.450 3.861 0.902 1.00 0.00 H new ATOM 840 N PRO A 58 14.286 3.914 3.382 1.00 0.00 N ATOM 841 CA PRO A 58 15.364 3.672 4.325 1.00 0.00 C ATOM 842 C PRO A 58 15.048 4.291 5.689 1.00 0.00 C ATOM 843 O PRO A 58 15.180 5.500 5.872 1.00 0.00 O ATOM 844 CB PRO A 58 16.600 4.272 3.674 1.00 0.00 C ATOM 845 CG PRO A 58 16.087 5.230 2.611 1.00 0.00 C ATOM 846 CD PRO A 58 14.611 4.943 2.397 1.00 0.00 C ATOM 0 HA PRO A 58 15.513 2.612 4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 58 17.213 4.795 4.408 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.224 3.496 3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.233 6.263 2.926 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.640 5.099 1.681 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.008 5.839 2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.418 4.595 1.382 1.00 0.00 H new ATOM 854 N GLY A 59 14.637 3.434 6.611 1.00 0.00 N ATOM 855 CA GLY A 59 14.301 3.880 7.952 1.00 0.00 C ATOM 856 C GLY A 59 13.072 4.792 7.934 1.00 0.00 C ATOM 857 O GLY A 59 12.980 5.731 8.724 1.00 0.00 O ATOM 0 H GLY A 59 14.529 2.432 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.108 3.017 8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.148 4.413 8.385 1.00 0.00 H new ATOM 861 N GLY A 60 12.159 4.483 7.026 1.00 0.00 N ATOM 862 CA GLY A 60 10.940 5.263 6.896 1.00 0.00 C ATOM 863 C GLY A 60 9.826 4.690 7.775 1.00 0.00 C ATOM 864 O GLY A 60 10.092 4.150 8.847 1.00 0.00 O ATOM 0 H GLY A 60 12.239 3.703 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.134 6.298 7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.619 5.271 5.855 1.00 0.00 H new ATOM 868 N SER A 61 8.602 4.829 7.288 1.00 0.00 N ATOM 869 CA SER A 61 7.446 4.334 8.015 1.00 0.00 C ATOM 870 C SER A 61 7.285 2.829 7.780 1.00 0.00 C ATOM 871 O SER A 61 7.040 2.073 8.718 1.00 0.00 O ATOM 872 CB SER A 61 6.173 5.075 7.601 1.00 0.00 C ATOM 873 OG SER A 61 5.687 4.635 6.336 1.00 0.00 O ATOM 0 H SER A 61 8.386 5.278 6.398 1.00 0.00 H new ATOM 0 HA SER A 61 7.608 4.515 9.078 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.403 4.924 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.374 6.146 7.560 1.00 0.00 H new ATOM 0 HG SER A 61 6.422 4.630 5.687 1.00 0.00 H new ATOM 879 N ALA A 62 7.429 2.442 6.521 1.00 0.00 N ATOM 880 CA ALA A 62 7.302 1.044 6.149 1.00 0.00 C ATOM 881 C ALA A 62 8.326 0.218 6.932 1.00 0.00 C ATOM 882 O ALA A 62 8.006 -0.858 7.436 1.00 0.00 O ATOM 883 CB ALA A 62 7.472 0.899 4.636 1.00 0.00 C ATOM 0 H ALA A 62 7.632 3.073 5.746 1.00 0.00 H new ATOM 0 HA ALA A 62 6.311 0.669 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.377 -0.151 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.704 1.481 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.457 1.263 4.344 1.00 0.00 H new ATOM 889 N GLU A 63 9.535 0.753 7.010 1.00 0.00 N ATOM 890 CA GLU A 63 10.607 0.080 7.722 1.00 0.00 C ATOM 891 C GLU A 63 10.374 0.160 9.232 1.00 0.00 C ATOM 892 O GLU A 63 10.790 -0.726 9.976 1.00 0.00 O ATOM 893 CB GLU A 63 11.970 0.667 7.346 1.00 0.00 C ATOM 894 CG GLU A 63 13.102 -0.293 7.716 1.00 0.00 C ATOM 895 CD GLU A 63 14.461 0.404 7.634 1.00 0.00 C ATOM 896 OE1 GLU A 63 14.818 0.819 6.511 1.00 0.00 O ATOM 897 OE2 GLU A 63 15.111 0.507 8.697 1.00 0.00 O ATOM 0 H GLU A 63 9.796 1.646 6.591 1.00 0.00 H new ATOM 0 HA GLU A 63 10.607 -0.970 7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.998 0.873 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.114 1.619 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.945 -0.674 8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.089 -1.152 7.045 1.00 0.00 H new ATOM 904 N GLN A 64 9.708 1.230 9.640 1.00 0.00 N ATOM 905 CA GLN A 64 9.414 1.438 11.047 1.00 0.00 C ATOM 906 C GLN A 64 8.703 0.213 11.627 1.00 0.00 C ATOM 907 O GLN A 64 9.212 -0.429 12.544 1.00 0.00 O ATOM 908 CB GLN A 64 8.580 2.704 11.252 1.00 0.00 C ATOM 909 CG GLN A 64 9.405 3.800 11.930 1.00 0.00 C ATOM 910 CD GLN A 64 8.940 4.025 13.371 1.00 0.00 C ATOM 911 OE1 GLN A 64 8.172 4.925 13.669 1.00 0.00 O ATOM 912 NE2 GLN A 64 9.445 3.158 14.243 1.00 0.00 N ATOM 0 H GLN A 64 9.363 1.963 9.020 1.00 0.00 H new ATOM 0 HA GLN A 64 10.356 1.573 11.579 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.214 3.062 10.290 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.705 2.473 11.860 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.459 3.523 11.923 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.316 4.729 11.366 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.083 2.428 13.925 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.194 3.222 15.230 1.00 0.00 H new ATOM 921 N THR A 65 7.536 -0.073 11.068 1.00 0.00 N ATOM 922 CA THR A 65 6.750 -1.209 11.518 1.00 0.00 C ATOM 923 C THR A 65 7.608 -2.475 11.543 1.00 0.00 C ATOM 924 O THR A 65 7.410 -3.347 12.388 1.00 0.00 O ATOM 925 CB THR A 65 5.523 -1.324 10.610 1.00 0.00 C ATOM 926 OG1 THR A 65 6.067 -1.608 9.325 1.00 0.00 O ATOM 927 CG2 THR A 65 4.805 0.014 10.424 1.00 0.00 C ATOM 0 H THR A 65 7.116 0.462 10.308 1.00 0.00 H new ATOM 0 HA THR A 65 6.403 -1.069 12.542 1.00 0.00 H new ATOM 0 HB THR A 65 4.829 -2.053 11.029 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.430 -2.149 8.812 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.943 -0.123 9.772 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.472 0.386 11.393 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.489 0.734 9.975 1.00 0.00 H new ATOM 935 N GLY A 66 8.543 -2.537 10.606 1.00 0.00 N ATOM 936 CA GLY A 66 9.432 -3.681 10.510 1.00 0.00 C ATOM 937 C GLY A 66 8.637 -4.987 10.414 1.00 0.00 C ATOM 938 O GLY A 66 9.124 -6.044 10.813 1.00 0.00 O ATOM 0 H GLY A 66 8.704 -1.812 9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.073 -3.576 9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.086 -3.712 11.382 1.00 0.00 H new ATOM 942 N LYS A 67 7.429 -4.869 9.883 1.00 0.00 N ATOM 943 CA LYS A 67 6.563 -6.026 9.731 1.00 0.00 C ATOM 944 C LYS A 67 6.226 -6.213 8.250 1.00 0.00 C ATOM 945 O LYS A 67 5.573 -7.186 7.877 1.00 0.00 O ATOM 946 CB LYS A 67 5.332 -5.895 10.630 1.00 0.00 C ATOM 947 CG LYS A 67 5.572 -6.563 11.986 1.00 0.00 C ATOM 948 CD LYS A 67 4.613 -7.737 12.197 1.00 0.00 C ATOM 949 CE LYS A 67 3.674 -7.473 13.375 1.00 0.00 C ATOM 950 NZ LYS A 67 2.529 -8.410 13.344 1.00 0.00 N ATOM 0 H LYS A 67 7.030 -3.990 9.553 1.00 0.00 H new ATOM 0 HA LYS A 67 7.074 -6.931 10.059 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.094 -4.841 10.776 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.471 -6.352 10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.602 -6.915 12.045 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.439 -5.832 12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.029 -7.901 11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.183 -8.648 12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.218 -7.584 14.313 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.312 -6.446 13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.901 -8.218 14.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.001 -8.284 12.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.879 -9.388 13.403 1.00 0.00 H new ATOM 964 N LEU A 68 6.687 -5.264 7.447 1.00 0.00 N ATOM 965 CA LEU A 68 6.442 -5.312 6.015 1.00 0.00 C ATOM 966 C LEU A 68 7.778 -5.261 5.272 1.00 0.00 C ATOM 967 O LEU A 68 8.797 -4.881 5.846 1.00 0.00 O ATOM 968 CB LEU A 68 5.465 -4.211 5.601 1.00 0.00 C ATOM 969 CG LEU A 68 6.091 -2.942 5.021 1.00 0.00 C ATOM 970 CD1 LEU A 68 6.098 -2.983 3.491 1.00 0.00 C ATOM 971 CD2 LEU A 68 5.394 -1.690 5.557 1.00 0.00 C ATOM 0 H LEU A 68 7.228 -4.458 7.761 1.00 0.00 H new ATOM 0 HA LEU A 68 5.961 -6.251 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.776 -4.623 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.871 -3.934 6.472 1.00 0.00 H new ATOM 0 HG LEU A 68 7.130 -2.896 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.548 -2.069 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.676 -3.843 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.075 -3.066 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.859 -0.803 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.339 -1.715 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.486 -1.659 6.643 1.00 0.00 H new ATOM 983 N MET A 69 7.730 -5.649 4.006 1.00 0.00 N ATOM 984 CA MET A 69 8.924 -5.652 3.178 1.00 0.00 C ATOM 985 C MET A 69 8.612 -5.152 1.765 1.00 0.00 C ATOM 986 O MET A 69 7.472 -4.806 1.463 1.00 0.00 O ATOM 987 CB MET A 69 9.491 -7.070 3.105 1.00 0.00 C ATOM 988 CG MET A 69 8.605 -7.972 2.242 1.00 0.00 C ATOM 989 SD MET A 69 9.536 -9.387 1.680 1.00 0.00 S ATOM 990 CE MET A 69 8.550 -10.702 2.375 1.00 0.00 C ATOM 0 H MET A 69 6.883 -5.964 3.533 1.00 0.00 H new ATOM 0 HA MET A 69 9.657 -4.982 3.627 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.499 -7.041 2.691 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.570 -7.486 4.109 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.739 -8.301 2.816 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.227 -7.413 1.387 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.993 -11.664 2.118 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.515 -10.597 3.459 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.538 -10.650 1.973 1.00 0.00 H new ATOM 1000 N GLU A 70 9.648 -5.130 0.939 1.00 0.00 N ATOM 1001 CA GLU A 70 9.500 -4.678 -0.434 1.00 0.00 C ATOM 1002 C GLU A 70 8.843 -5.768 -1.284 1.00 0.00 C ATOM 1003 O GLU A 70 8.801 -6.930 -0.883 1.00 0.00 O ATOM 1004 CB GLU A 70 10.849 -4.262 -1.024 1.00 0.00 C ATOM 1005 CG GLU A 70 11.741 -3.625 0.045 1.00 0.00 C ATOM 1006 CD GLU A 70 12.836 -4.594 0.493 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.790 -4.776 -0.294 1.00 0.00 O ATOM 1008 OE2 GLU A 70 12.696 -5.131 1.613 1.00 0.00 O ATOM 0 H GLU A 70 10.593 -5.418 1.194 1.00 0.00 H new ATOM 0 HA GLU A 70 8.853 -3.801 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.349 -5.133 -1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.691 -3.556 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.194 -2.715 -0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.135 -3.333 0.903 1.00 0.00 H new ATOM 1015 N GLY A 71 8.349 -5.354 -2.441 1.00 0.00 N ATOM 1016 CA GLY A 71 7.697 -6.282 -3.350 1.00 0.00 C ATOM 1017 C GLY A 71 6.517 -6.977 -2.670 1.00 0.00 C ATOM 1018 O GLY A 71 6.086 -8.044 -3.105 1.00 0.00 O ATOM 0 H GLY A 71 8.387 -4.389 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.349 -5.747 -4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.415 -7.027 -3.691 1.00 0.00 H new ATOM 1022 N MET A 72 6.025 -6.344 -1.615 1.00 0.00 N ATOM 1023 CA MET A 72 4.902 -6.889 -0.872 1.00 0.00 C ATOM 1024 C MET A 72 3.573 -6.490 -1.515 1.00 0.00 C ATOM 1025 O MET A 72 3.050 -5.408 -1.251 1.00 0.00 O ATOM 1026 CB MET A 72 4.946 -6.375 0.569 1.00 0.00 C ATOM 1027 CG MET A 72 5.509 -7.439 1.513 1.00 0.00 C ATOM 1028 SD MET A 72 4.257 -7.941 2.682 1.00 0.00 S ATOM 1029 CE MET A 72 5.275 -8.235 4.119 1.00 0.00 C ATOM 0 H MET A 72 6.384 -5.459 -1.257 1.00 0.00 H new ATOM 0 HA MET A 72 4.977 -7.976 -0.883 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.561 -5.476 0.620 1.00 0.00 H new ATOM 0 HB3 MET A 72 3.943 -6.093 0.889 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.850 -8.301 0.940 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.376 -7.045 2.043 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.715 -7.983 5.019 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.562 -9.286 4.153 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.170 -7.616 4.064 1.00 0.00 H new ATOM 1039 N GLN A 73 3.063 -7.386 -2.349 1.00 0.00 N ATOM 1040 CA GLN A 73 1.805 -7.141 -3.032 1.00 0.00 C ATOM 1041 C GLN A 73 0.790 -6.519 -2.070 1.00 0.00 C ATOM 1042 O GLN A 73 0.312 -7.184 -1.152 1.00 0.00 O ATOM 1043 CB GLN A 73 1.257 -8.429 -3.651 1.00 0.00 C ATOM 1044 CG GLN A 73 -0.081 -8.176 -4.348 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.965 -9.425 -4.308 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.779 -10.323 -3.502 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -1.934 -9.431 -5.220 1.00 0.00 N ATOM 0 H GLN A 73 3.499 -8.282 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 73 1.986 -6.436 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.975 -8.826 -4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.130 -9.184 -2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.596 -7.346 -3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.094 -7.883 -5.383 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.033 -8.646 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.578 -10.220 -5.275 1.00 0.00 H new ATOM 1056 N VAL A 74 0.490 -5.253 -2.314 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.459 -4.534 -1.481 1.00 0.00 C ATOM 1058 C VAL A 74 -1.883 -4.880 -1.922 1.00 0.00 C ATOM 1059 O VAL A 74 -2.315 -4.482 -3.003 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.167 -3.033 -1.529 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -1.239 -2.242 -0.777 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.227 -2.729 -0.976 1.00 0.00 C ATOM 0 H VAL A 74 0.887 -4.705 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.358 -4.838 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.190 -2.720 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.008 -1.178 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.212 -2.423 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.262 -2.560 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.410 -1.655 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.289 -3.064 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.976 -3.250 -1.572 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.572 -5.618 -1.064 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.938 -6.021 -1.353 1.00 0.00 C ATOM 1074 C LEU A 75 -4.857 -4.802 -1.255 1.00 0.00 C ATOM 1075 O LEU A 75 -5.558 -4.470 -2.211 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.357 -7.181 -0.448 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.400 -8.375 -0.402 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.490 -9.098 0.944 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.649 -9.322 -1.578 1.00 0.00 C ATOM 0 H LEU A 75 -2.210 -5.947 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.016 -6.398 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.479 -6.799 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.334 -7.536 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.381 -8.000 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.800 -9.942 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.227 -8.408 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.507 -9.459 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.956 -10.162 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.673 -9.693 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.495 -8.787 -2.515 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.824 -4.168 -0.092 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.646 -2.994 0.142 1.00 0.00 C ATOM 1093 C GLU A 76 -4.850 -1.933 0.907 1.00 0.00 C ATOM 1094 O GLU A 76 -3.934 -2.262 1.659 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.928 -3.361 0.891 1.00 0.00 C ATOM 1096 CG GLU A 76 -8.012 -3.838 -0.078 1.00 0.00 C ATOM 1097 CD GLU A 76 -9.149 -4.535 0.670 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -9.802 -3.844 1.482 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -9.340 -5.743 0.414 1.00 0.00 O ATOM 0 H GLU A 76 -4.241 -4.445 0.698 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.935 -2.579 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.716 -4.144 1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.288 -2.496 1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.406 -2.988 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.578 -4.523 -0.806 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.228 -0.683 0.687 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.561 0.427 1.346 1.00 0.00 C ATOM 1108 C TRP A 77 -5.636 1.354 1.917 1.00 0.00 C ATOM 1109 O TRP A 77 -6.338 2.032 1.168 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.605 1.140 0.387 1.00 0.00 C ATOM 1111 CG TRP A 77 -3.061 2.466 0.922 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.573 3.694 0.759 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.872 2.648 1.718 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.803 4.651 1.389 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.736 3.995 1.991 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.941 1.707 2.193 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.681 4.521 2.747 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.107 2.250 2.947 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.258 3.603 3.230 1.00 0.00 C ATOM 0 H TRP A 77 -5.988 -0.414 0.062 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.938 0.070 2.166 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.768 0.478 0.166 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.122 1.325 -0.555 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.475 3.908 0.204 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.984 5.655 1.409 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -1.027 0.649 1.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.597 5.579 2.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.850 1.570 3.336 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.096 3.944 3.820 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.733 1.354 3.238 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.711 2.185 3.918 1.00 0.00 C ATOM 1132 C ASN A 78 -8.119 1.765 3.488 1.00 0.00 C ATOM 1133 O ASN A 78 -9.033 2.587 3.457 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.527 3.661 3.554 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.648 4.373 4.584 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -5.873 4.309 5.781 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -4.637 5.055 4.053 1.00 0.00 N ATOM 0 H ASN A 78 -5.149 0.791 3.856 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.574 2.057 4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.074 3.742 2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.500 4.150 3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.993 5.566 4.657 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.505 5.067 3.042 1.00 0.00 H new ATOM 1144 N GLY A 79 -8.247 0.485 3.170 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.527 -0.054 2.744 1.00 0.00 C ATOM 1146 C GLY A 79 -9.625 -0.094 1.217 1.00 0.00 C ATOM 1147 O GLY A 79 -9.986 -1.120 0.641 1.00 0.00 O ATOM 0 H GLY A 79 -7.486 -0.194 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.654 -1.059 3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.335 0.556 3.148 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.298 1.034 0.605 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.345 1.142 -0.843 1.00 0.00 C ATOM 1153 C ILE A 80 -8.386 0.118 -1.457 1.00 0.00 C ATOM 1154 O ILE A 80 -7.205 0.085 -1.114 1.00 0.00 O ATOM 1155 CB ILE A 80 -9.071 2.581 -1.284 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -10.117 3.538 -0.708 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -8.981 2.680 -2.807 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.657 4.108 0.636 1.00 0.00 C ATOM 0 H ILE A 80 -8.999 1.882 1.086 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.344 0.906 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.103 2.883 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.296 4.352 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.064 3.013 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.786 3.713 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.171 2.045 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.922 2.353 -3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.418 4.785 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.502 3.293 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.723 4.653 0.500 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.945 -0.713 -2.377 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.153 -1.734 -3.042 1.00 0.00 C ATOM 1172 C PRO A 81 -7.241 -1.116 -4.103 1.00 0.00 C ATOM 1173 O PRO A 81 -7.538 -0.049 -4.637 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.169 -2.704 -3.623 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.489 -1.950 -3.664 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.340 -0.703 -2.807 1.00 0.00 C ATOM 0 HA PRO A 81 -7.474 -2.249 -2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.873 -3.028 -4.621 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.250 -3.600 -3.008 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.743 -1.681 -4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.298 -2.576 -3.289 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.573 0.198 -3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.018 -0.726 -1.954 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.148 -1.814 -4.377 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.191 -1.347 -5.364 1.00 0.00 C ATOM 1186 C LEU A 82 -5.026 -2.412 -6.452 1.00 0.00 C ATOM 1187 O LEU A 82 -3.932 -2.598 -6.983 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.876 -0.949 -4.691 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.996 0.002 -3.498 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.617 0.365 -2.945 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.811 1.244 -3.865 1.00 0.00 C ATOM 0 H LEU A 82 -5.905 -2.699 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.559 -0.444 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.372 -1.856 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.234 -0.483 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.536 -0.514 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.731 1.042 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.106 -0.541 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.030 0.853 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.881 1.902 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.322 1.772 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.812 0.944 -4.174 1.00 0.00 H new ATOM 1203 N THR A 83 -6.129 -3.082 -6.750 1.00 0.00 N ATOM 1204 CA THR A 83 -6.120 -4.123 -7.764 1.00 0.00 C ATOM 1205 C THR A 83 -6.844 -3.646 -9.025 1.00 0.00 C ATOM 1206 O THR A 83 -7.865 -2.965 -8.939 1.00 0.00 O ATOM 1207 CB THR A 83 -6.734 -5.384 -7.152 1.00 0.00 C ATOM 1208 OG1 THR A 83 -6.020 -5.559 -5.931 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.408 -6.644 -7.958 1.00 0.00 C ATOM 0 H THR A 83 -7.035 -2.925 -6.308 1.00 0.00 H new ATOM 0 HA THR A 83 -5.104 -4.358 -8.080 1.00 0.00 H new ATOM 0 HB THR A 83 -7.815 -5.266 -7.084 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.355 -6.355 -5.467 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.867 -7.510 -7.481 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.797 -6.539 -8.971 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.327 -6.782 -7.997 1.00 0.00 H new ATOM 1217 N SER A 84 -6.287 -4.022 -10.167 1.00 0.00 N ATOM 1218 CA SER A 84 -6.867 -3.640 -11.443 1.00 0.00 C ATOM 1219 C SER A 84 -6.865 -2.117 -11.585 1.00 0.00 C ATOM 1220 O SER A 84 -7.824 -1.535 -12.090 1.00 0.00 O ATOM 1221 CB SER A 84 -8.289 -4.185 -11.586 1.00 0.00 C ATOM 1222 OG SER A 84 -8.837 -3.913 -12.874 1.00 0.00 O ATOM 0 H SER A 84 -5.440 -4.587 -10.235 1.00 0.00 H new ATOM 0 HA SER A 84 -6.259 -4.072 -12.238 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.284 -5.261 -11.414 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.926 -3.743 -10.820 1.00 0.00 H new ATOM 0 HG SER A 84 -8.795 -2.950 -13.051 1.00 0.00 H new ATOM 1228 N LYS A 85 -5.777 -1.513 -11.129 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.638 -0.068 -11.198 1.00 0.00 C ATOM 1230 C LYS A 85 -4.333 0.280 -11.918 1.00 0.00 C ATOM 1231 O LYS A 85 -3.684 -0.594 -12.492 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.754 0.549 -9.803 1.00 0.00 C ATOM 1233 CG LYS A 85 -6.965 -0.013 -9.055 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.073 1.034 -8.941 1.00 0.00 C ATOM 1235 CE LYS A 85 -8.978 0.748 -7.740 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.236 0.104 -8.181 1.00 0.00 N ATOM 0 H LYS A 85 -4.983 -1.998 -10.710 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.450 0.366 -11.781 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.846 0.347 -9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.844 1.632 -9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.343 -0.892 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.663 -0.338 -8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.632 2.026 -8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.667 1.041 -9.855 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.460 0.101 -7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.202 1.677 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.839 -0.083 -7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.737 0.735 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.017 -0.793 -8.660 1.00 0.00 H new ATOM 1250 N THR A 86 -3.988 1.558 -11.863 1.00 0.00 N ATOM 1251 CA THR A 86 -2.773 2.032 -12.503 1.00 0.00 C ATOM 1252 C THR A 86 -1.934 2.848 -11.516 1.00 0.00 C ATOM 1253 O THR A 86 -2.425 3.247 -10.462 1.00 0.00 O ATOM 1254 CB THR A 86 -3.172 2.818 -13.754 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.177 3.717 -13.294 1.00 0.00 O ATOM 1256 CG2 THR A 86 -3.894 1.947 -14.785 1.00 0.00 C ATOM 0 H THR A 86 -4.528 2.279 -11.385 1.00 0.00 H new ATOM 0 HA THR A 86 -2.139 1.201 -12.812 1.00 0.00 H new ATOM 0 HB THR A 86 -2.283 3.256 -14.207 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.491 4.267 -14.042 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.156 2.552 -15.653 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.240 1.132 -15.094 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.801 1.536 -14.343 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.684 3.070 -11.893 1.00 0.00 N ATOM 1265 CA TYR A 87 0.227 3.830 -11.055 1.00 0.00 C ATOM 1266 C TYR A 87 -0.458 5.075 -10.489 1.00 0.00 C ATOM 1267 O TYR A 87 -0.672 5.177 -9.283 1.00 0.00 O ATOM 1268 CB TYR A 87 1.376 4.265 -11.967 1.00 0.00 C ATOM 1269 CG TYR A 87 2.448 5.099 -11.263 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.315 6.470 -11.186 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.549 4.480 -10.706 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.324 7.255 -10.522 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.558 5.265 -10.043 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.395 6.613 -9.984 1.00 0.00 C ATOM 1275 OH TYR A 87 5.348 7.355 -9.358 1.00 0.00 O ATOM 0 H TYR A 87 -0.280 2.737 -12.768 1.00 0.00 H new ATOM 0 HA TYR A 87 0.567 3.227 -10.213 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.843 3.378 -12.394 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.969 4.842 -12.797 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.455 6.955 -11.623 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.654 3.407 -10.767 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.232 8.329 -10.453 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.424 4.793 -9.603 1.00 0.00 H new ATOM 0 HH TYR A 87 4.937 8.155 -8.969 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.783 5.993 -11.389 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.439 7.227 -10.995 1.00 0.00 C ATOM 1287 C GLU A 88 -2.566 6.936 -10.002 1.00 0.00 C ATOM 1288 O GLU A 88 -2.468 7.283 -8.826 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.967 7.983 -12.216 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.971 9.051 -12.672 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.670 10.395 -12.889 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -2.306 10.537 -13.956 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -1.552 11.249 -11.984 1.00 0.00 O ATOM 0 H GLU A 88 -0.604 5.906 -12.389 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.704 7.864 -10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.152 7.282 -13.030 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.922 8.450 -11.974 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.184 9.162 -11.926 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.490 8.734 -13.597 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.611 6.301 -10.512 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.757 5.959 -9.685 1.00 0.00 C ATOM 1302 C GLU A 89 -4.294 5.528 -8.291 1.00 0.00 C ATOM 1303 O GLU A 89 -4.472 6.263 -7.320 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.602 4.867 -10.343 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.268 5.384 -11.619 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.677 4.808 -11.774 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -7.855 3.633 -11.389 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.544 5.556 -12.275 1.00 0.00 O ATOM 0 H GLU A 89 -3.689 6.014 -11.488 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.384 6.845 -9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.973 4.008 -10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.364 4.522 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.317 6.473 -11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.663 5.113 -12.485 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.711 4.340 -8.237 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.223 3.804 -6.978 1.00 0.00 C ATOM 1317 C VAL A 90 -2.572 4.927 -6.168 1.00 0.00 C ATOM 1318 O VAL A 90 -3.017 5.239 -5.063 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.275 2.631 -7.241 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.777 2.023 -5.929 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.945 1.570 -8.117 1.00 0.00 C ATOM 0 H VAL A 90 -3.566 3.734 -9.044 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.049 3.412 -6.385 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.410 3.015 -7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.106 1.192 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.243 2.781 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.627 1.662 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.250 0.748 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.836 1.193 -7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.227 2.012 -9.073 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.530 5.504 -6.748 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.814 6.586 -6.093 1.00 0.00 C ATOM 1333 C GLN A 91 -1.799 7.538 -5.411 1.00 0.00 C ATOM 1334 O GLN A 91 -1.792 7.673 -4.189 1.00 0.00 O ATOM 1335 CB GLN A 91 0.074 7.337 -7.087 1.00 0.00 C ATOM 1336 CG GLN A 91 1.531 7.349 -6.620 1.00 0.00 C ATOM 1337 CD GLN A 91 2.304 8.501 -7.265 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.846 9.147 -8.195 1.00 0.00 O ATOM 1339 NE2 GLN A 91 3.498 8.723 -6.723 1.00 0.00 N ATOM 0 H GLN A 91 -1.164 5.243 -7.664 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.166 6.156 -5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.007 6.866 -8.068 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.284 8.360 -7.199 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.568 7.444 -5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.006 6.401 -6.873 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.821 8.146 -5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.091 9.471 -7.084 1.00 0.00 H new ATOM 1348 N SER A 92 -2.623 8.174 -6.231 1.00 0.00 N ATOM 1349 CA SER A 92 -3.612 9.109 -5.722 1.00 0.00 C ATOM 1350 C SER A 92 -4.227 8.568 -4.431 1.00 0.00 C ATOM 1351 O SER A 92 -4.236 9.253 -3.408 1.00 0.00 O ATOM 1352 CB SER A 92 -4.704 9.375 -6.760 1.00 0.00 C ATOM 1353 OG SER A 92 -4.624 10.694 -7.293 1.00 0.00 O ATOM 0 H SER A 92 -2.626 8.060 -7.245 1.00 0.00 H new ATOM 0 HA SER A 92 -3.112 10.054 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.618 8.651 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.682 9.227 -6.303 1.00 0.00 H new ATOM 0 HG SER A 92 -5.337 10.824 -7.953 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.727 7.344 -4.518 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.343 6.703 -3.368 1.00 0.00 C ATOM 1361 C ILE A 93 -4.390 6.781 -2.175 1.00 0.00 C ATOM 1362 O ILE A 93 -4.811 7.081 -1.058 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.777 5.278 -3.718 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -7.067 5.284 -4.540 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.902 4.419 -2.458 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.283 3.935 -5.229 1.00 0.00 C ATOM 0 H ILE A 93 -4.718 6.779 -5.367 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.255 7.228 -3.082 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.003 4.827 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.915 5.505 -3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.022 6.076 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.212 3.411 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.939 4.376 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.645 4.857 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.207 3.965 -5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.445 3.728 -5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.351 3.149 -4.477 1.00 0.00 H new ATOM 1378 N ILE A 94 -3.123 6.505 -2.450 1.00 0.00 N ATOM 1379 CA ILE A 94 -2.107 6.540 -1.412 1.00 0.00 C ATOM 1380 C ILE A 94 -1.786 7.996 -1.068 1.00 0.00 C ATOM 1381 O ILE A 94 -1.961 8.420 0.073 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.884 5.724 -1.834 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.272 4.624 -2.825 1.00 0.00 C ATOM 1384 CG2 ILE A 94 -0.152 5.162 -0.612 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.363 3.404 -2.672 1.00 0.00 C ATOM 0 H ILE A 94 -2.777 6.256 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.476 6.071 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.191 6.390 -2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.309 4.332 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.205 5.007 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.713 4.586 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.178 5.983 0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.826 4.516 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.660 2.637 -3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.671 3.695 -2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.451 3.009 -1.660 1.00 0.00 H new ATOM 1397 N SER A 95 -1.321 8.721 -2.075 1.00 0.00 N ATOM 1398 CA SER A 95 -0.975 10.120 -1.893 1.00 0.00 C ATOM 1399 C SER A 95 -1.980 10.790 -0.954 1.00 0.00 C ATOM 1400 O SER A 95 -1.596 11.553 -0.069 1.00 0.00 O ATOM 1401 CB SER A 95 -0.928 10.855 -3.234 1.00 0.00 C ATOM 1402 OG SER A 95 0.299 11.558 -3.415 1.00 0.00 O ATOM 0 H SER A 95 -1.176 8.365 -3.020 1.00 0.00 H new ATOM 0 HA SER A 95 0.018 10.171 -1.447 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.058 10.138 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.760 11.557 -3.292 1.00 0.00 H new ATOM 0 HG SER A 95 0.291 12.012 -4.283 1.00 0.00 H new ATOM 1408 N GLN A 96 -3.249 10.481 -1.179 1.00 0.00 N ATOM 1409 CA GLN A 96 -4.312 11.044 -0.365 1.00 0.00 C ATOM 1410 C GLN A 96 -4.429 10.282 0.956 1.00 0.00 C ATOM 1411 O GLN A 96 -4.846 9.125 0.976 1.00 0.00 O ATOM 1412 CB GLN A 96 -5.643 11.038 -1.121 1.00 0.00 C ATOM 1413 CG GLN A 96 -6.230 12.449 -1.207 1.00 0.00 C ATOM 1414 CD GLN A 96 -7.485 12.467 -2.081 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -8.595 12.241 -1.626 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -7.249 12.747 -3.360 1.00 0.00 N ATOM 0 H GLN A 96 -3.564 9.848 -1.914 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.062 12.081 -0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.494 10.640 -2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.348 10.377 -0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.474 12.807 -0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.486 13.132 -1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.296 12.926 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.021 12.782 -4.025 1.00 0.00 H new ATOM 1425 N GLN A 97 -4.053 10.962 2.030 1.00 0.00 N ATOM 1426 CA GLN A 97 -4.111 10.364 3.353 1.00 0.00 C ATOM 1427 C GLN A 97 -3.742 11.397 4.419 1.00 0.00 C ATOM 1428 O GLN A 97 -3.452 12.548 4.099 1.00 0.00 O ATOM 1429 CB GLN A 97 -3.201 9.138 3.440 1.00 0.00 C ATOM 1430 CG GLN A 97 -1.736 9.525 3.224 1.00 0.00 C ATOM 1431 CD GLN A 97 -1.131 10.114 4.499 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -0.807 11.287 4.579 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -0.997 9.236 5.489 1.00 0.00 N ATOM 0 H GLN A 97 -3.707 11.921 2.010 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.133 10.031 3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.316 8.664 4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.501 8.404 2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.166 8.648 2.918 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.663 10.251 2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.289 8.268 5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.602 9.531 6.382 1.00 0.00 H new ATOM 1442 N SER A 98 -3.766 10.948 5.666 1.00 0.00 N ATOM 1443 CA SER A 98 -3.438 11.820 6.781 1.00 0.00 C ATOM 1444 C SER A 98 -3.377 11.010 8.077 1.00 0.00 C ATOM 1445 O SER A 98 -4.372 10.416 8.490 1.00 0.00 O ATOM 1446 CB SER A 98 -4.456 12.954 6.912 1.00 0.00 C ATOM 1447 OG SER A 98 -4.124 14.067 6.085 1.00 0.00 O ATOM 0 H SER A 98 -4.007 9.992 5.928 1.00 0.00 H new ATOM 0 HA SER A 98 -2.461 12.265 6.591 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.446 12.585 6.644 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.507 13.277 7.952 1.00 0.00 H new ATOM 0 HG SER A 98 -3.801 13.745 5.217 1.00 0.00 H new ATOM 1453 N GLY A 99 -2.200 11.012 8.685 1.00 0.00 N ATOM 1454 CA GLY A 99 -1.996 10.285 9.926 1.00 0.00 C ATOM 1455 C GLY A 99 -2.055 8.774 9.692 1.00 0.00 C ATOM 1456 O GLY A 99 -3.114 8.231 9.380 1.00 0.00 O ATOM 0 H GLY A 99 -1.377 11.506 8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.030 10.553 10.354 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.757 10.574 10.651 1.00 0.00 H new ATOM 1460 N GLU A 100 -0.905 8.137 9.852 1.00 0.00 N ATOM 1461 CA GLU A 100 -0.811 6.700 9.662 1.00 0.00 C ATOM 1462 C GLU A 100 -1.563 6.282 8.396 1.00 0.00 C ATOM 1463 O GLU A 100 -1.998 7.131 7.620 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.341 5.949 10.886 1.00 0.00 C ATOM 1465 CG GLU A 100 -2.858 6.105 11.011 1.00 0.00 C ATOM 1466 CD GLU A 100 -3.217 7.359 11.810 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -2.268 8.033 12.265 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -4.433 7.615 11.946 1.00 0.00 O ATOM 0 H GLU A 100 -0.029 8.590 10.112 1.00 0.00 H new ATOM 0 HA GLU A 100 0.240 6.437 9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.086 4.892 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.858 6.327 11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.304 6.162 10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.278 5.226 11.499 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.692 4.974 8.229 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.384 4.433 7.070 1.00 0.00 C ATOM 1477 C ALA A 101 -2.420 2.907 7.170 1.00 0.00 C ATOM 1478 O ALA A 101 -1.468 2.289 7.644 1.00 0.00 O ATOM 1479 CB ALA A 101 -1.694 4.918 5.792 1.00 0.00 C ATOM 0 H ALA A 101 -1.330 4.273 8.876 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.415 4.786 7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.212 4.513 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.720 6.007 5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.658 4.580 5.787 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.529 2.342 6.714 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.702 0.900 6.747 1.00 0.00 C ATOM 1487 C GLU A 102 -3.183 0.274 5.450 1.00 0.00 C ATOM 1488 O GLU A 102 -3.492 0.752 4.359 1.00 0.00 O ATOM 1489 CB GLU A 102 -5.166 0.529 6.987 1.00 0.00 C ATOM 1490 CG GLU A 102 -5.352 -0.104 8.368 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.836 -0.269 8.700 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -7.628 0.554 8.191 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -7.146 -1.215 9.456 1.00 0.00 O ATOM 0 H GLU A 102 -4.316 2.857 6.320 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.120 0.502 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.789 1.420 6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.500 -0.166 6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.859 -1.076 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.873 0.518 9.124 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.405 -0.786 5.613 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.841 -1.482 4.469 1.00 0.00 C ATOM 1502 C ILE A 103 -2.048 -2.989 4.641 1.00 0.00 C ATOM 1503 O ILE A 103 -1.622 -3.567 5.640 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.379 -1.081 4.265 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.251 -1.871 3.116 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.416 -1.229 5.565 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.698 -1.434 2.879 1.00 0.00 C ATOM 0 H ILE A 103 -2.152 -1.180 6.519 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.357 -1.192 3.554 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.349 -0.028 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.222 -2.937 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.331 -1.723 2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.452 -0.938 5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.019 -0.588 6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.381 -2.267 5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.122 -2.011 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.721 -0.374 2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.283 -1.606 3.783 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.702 -3.580 3.653 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.971 -5.009 3.683 1.00 0.00 C ATOM 1521 C CYS A 104 -2.097 -5.684 2.624 1.00 0.00 C ATOM 1522 O CYS A 104 -2.350 -5.550 1.427 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.456 -5.309 3.473 1.00 0.00 C ATOM 1524 SG CYS A 104 -5.475 -4.143 4.449 1.00 0.00 S ATOM 0 H CYS A 104 -3.054 -3.097 2.827 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.723 -5.408 4.666 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.706 -5.226 2.415 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.674 -6.334 3.773 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.734 -4.405 4.261 1.00 0.00 H new ATOM 1530 N VAL A 105 -1.086 -6.394 3.103 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.173 -7.091 2.212 1.00 0.00 C ATOM 1532 C VAL A 105 -0.316 -8.599 2.420 1.00 0.00 C ATOM 1533 O VAL A 105 -1.018 -9.040 3.329 1.00 0.00 O ATOM 1534 CB VAL A 105 1.256 -6.590 2.432 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.402 -5.134 1.985 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.679 -6.761 3.892 1.00 0.00 C ATOM 0 H VAL A 105 -0.879 -6.502 4.096 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.420 -6.882 1.171 1.00 0.00 H new ATOM 0 HB VAL A 105 1.921 -7.197 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.427 -4.803 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.163 -5.053 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.720 -4.507 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.698 -6.397 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.007 -6.192 4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.633 -7.816 4.163 1.00 0.00 H new ATOM 1546 N ARG A 106 0.359 -9.350 1.562 1.00 0.00 N ATOM 1547 CA ARG A 106 0.316 -10.801 1.640 1.00 0.00 C ATOM 1548 C ARG A 106 1.701 -11.356 1.978 1.00 0.00 C ATOM 1549 O ARG A 106 2.647 -11.179 1.213 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.163 -11.409 0.321 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.751 -12.805 0.542 1.00 0.00 C ATOM 1552 CD ARG A 106 -1.552 -13.261 -0.679 1.00 0.00 C ATOM 1553 NE ARG A 106 -1.128 -14.620 -1.083 1.00 0.00 N ATOM 1554 CZ ARG A 106 -1.752 -15.357 -2.011 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -2.832 -14.871 -2.637 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -1.297 -16.580 -2.313 1.00 0.00 N ATOM 0 H ARG A 106 0.939 -8.981 0.809 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.388 -11.070 2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.914 -10.761 -0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.670 -11.468 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.052 -13.515 0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.395 -12.798 1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.617 -13.257 -0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.402 -12.564 -1.504 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.309 -15.021 -0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.179 -13.940 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.307 -15.432 -3.344 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.475 -16.950 -1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.773 -17.141 -3.020 1.00 0.00 H new ATOM 1570 N LEU A 107 1.775 -12.015 3.125 1.00 0.00 N ATOM 1571 CA LEU A 107 3.030 -12.596 3.573 1.00 0.00 C ATOM 1572 C LEU A 107 3.598 -13.488 2.467 1.00 0.00 C ATOM 1573 O LEU A 107 4.715 -13.268 2.001 1.00 0.00 O ATOM 1574 CB LEU A 107 2.837 -13.320 4.908 1.00 0.00 C ATOM 1575 CG LEU A 107 2.343 -12.460 6.072 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.661 -13.320 7.139 1.00 0.00 C ATOM 1577 CD2 LEU A 107 3.480 -11.619 6.656 1.00 0.00 C ATOM 0 H LEU A 107 0.988 -12.160 3.757 1.00 0.00 H new ATOM 0 HA LEU A 107 3.766 -11.815 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.128 -14.134 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.787 -13.772 5.194 1.00 0.00 H new ATOM 0 HG LEU A 107 1.594 -11.767 5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.319 -12.684 7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.808 -13.836 6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.370 -14.053 7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.100 -11.017 7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.270 -12.277 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.881 -10.963 5.884 1.00 0.00 H new ATOM 1589 N ASP A 108 2.803 -14.473 2.078 1.00 0.00 N ATOM 1590 CA ASP A 108 3.213 -15.398 1.035 1.00 0.00 C ATOM 1591 C ASP A 108 3.630 -14.608 -0.207 1.00 0.00 C ATOM 1592 O ASP A 108 4.818 -14.501 -0.509 1.00 0.00 O ATOM 1593 CB ASP A 108 2.063 -16.327 0.640 1.00 0.00 C ATOM 1594 CG ASP A 108 1.947 -17.604 1.475 1.00 0.00 C ATOM 1595 OD1 ASP A 108 2.883 -17.851 2.266 1.00 0.00 O ATOM 1596 OD2 ASP A 108 0.926 -18.303 1.303 1.00 0.00 O ATOM 0 H ASP A 108 1.877 -14.651 2.466 1.00 0.00 H new ATOM 0 HA ASP A 108 4.042 -15.993 1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.127 -15.774 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 108 2.184 -16.605 -0.407 1.00 0.00 H new ATOM 1601 N LEU A 109 2.631 -14.073 -0.892 1.00 0.00 N ATOM 1602 CA LEU A 109 2.879 -13.294 -2.094 1.00 0.00 C ATOM 1603 C LEU A 109 4.054 -12.346 -1.848 1.00 0.00 C ATOM 1604 O LEU A 109 4.098 -11.657 -0.830 1.00 0.00 O ATOM 1605 CB LEU A 109 1.601 -12.586 -2.547 1.00 0.00 C ATOM 1606 CG LEU A 109 1.198 -12.800 -4.008 1.00 0.00 C ATOM 1607 CD1 LEU A 109 -0.278 -13.187 -4.117 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.533 -11.570 -4.854 1.00 0.00 C ATOM 0 H LEU A 109 1.647 -14.163 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 109 3.163 -13.947 -2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.780 -12.919 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.722 -11.516 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 109 1.779 -13.632 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.539 -13.333 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.453 -14.111 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.894 -12.392 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.237 -11.748 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.996 -10.704 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.606 -11.380 -4.811 1.00 0.00 H new ATOM 1620 N ASN A 110 4.978 -12.340 -2.798 1.00 0.00 N ATOM 1621 CA ASN A 110 6.150 -11.488 -2.697 1.00 0.00 C ATOM 1622 C ASN A 110 6.636 -11.128 -4.104 1.00 0.00 C ATOM 1623 O ASN A 110 7.468 -11.830 -4.675 1.00 0.00 O ATOM 1624 CB ASN A 110 7.291 -12.203 -1.972 1.00 0.00 C ATOM 1625 CG ASN A 110 7.631 -13.528 -2.657 1.00 0.00 C ATOM 1626 OD1 ASN A 110 8.580 -13.640 -3.415 1.00 0.00 O ATOM 1627 ND2 ASN A 110 6.803 -14.524 -2.349 1.00 0.00 N ATOM 0 H ASN A 110 4.938 -12.912 -3.642 1.00 0.00 H new ATOM 0 HA ASN A 110 5.871 -10.596 -2.137 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.173 -11.562 -1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 110 7.009 -12.387 -0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.944 -15.449 -2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 110 6.027 -14.362 -1.707 1.00 0.00 H new ATOM 1634 N MET A 111 6.094 -10.034 -4.621 1.00 0.00 N ATOM 1635 CA MET A 111 6.461 -9.573 -5.948 1.00 0.00 C ATOM 1636 C MET A 111 7.978 -9.413 -6.073 1.00 0.00 C ATOM 1637 O MET A 111 8.615 -8.813 -5.208 1.00 0.00 O ATOM 1638 CB MET A 111 5.782 -8.231 -6.229 1.00 0.00 C ATOM 1639 CG MET A 111 4.270 -8.405 -6.384 1.00 0.00 C ATOM 1640 SD MET A 111 3.658 -7.318 -7.661 1.00 0.00 S ATOM 1641 CE MET A 111 1.969 -7.121 -7.117 1.00 0.00 C ATOM 0 H MET A 111 5.404 -9.454 -4.144 1.00 0.00 H new ATOM 0 HA MET A 111 6.131 -10.316 -6.674 1.00 0.00 H new ATOM 0 HB2 MET A 111 5.990 -7.536 -5.415 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.196 -7.792 -7.137 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.039 -9.440 -6.635 1.00 0.00 H new ATOM 0 HG3 MET A 111 3.772 -8.187 -5.439 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.494 -6.321 -7.686 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.425 -8.052 -7.276 1.00 0.00 H new ATOM 0 HE3 MET A 111 1.955 -6.869 -6.057 1.00 0.00 H new