USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 661 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 Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 0.897 (180deg=0.604) USER MOD Single : A 16 CYS SG : rot -46:sc= -0.289 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 173:sc= -0.242 (180deg=-0.415) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= 0.472 (180deg=0.0726) USER MOD Single : A 43 SER OG : rot 64:sc= 0.913 USER MOD Single : A 47 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.472) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.616 USER MOD Single : A 57 TYR OH : rot -105:sc= 1.15 USER MOD Single : A 59 SER OG : rot -150:sc= -0.241 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0993 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc=-0.00204 K(o=-0.002,f=-2.1!) USER MOD Single : A 74 GLN : amide:sc= -0.8 K(o=-0.8,f=-6.9!) USER MOD Single : A 77 GLN : amide:sc= -0.0971 K(o=-0.097,f=-1.7!) USER MOD Single : A 79 TYR OH : rot -166:sc= -0.798 USER MOD Single : A 80 SER OG : rot -50:sc= 0.0886 USER MOD Single : A 83 ASN : amide:sc= 0.169 K(o=0.17,f=-0.42) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 0.207 5.092 -13.826 1.00 0.00 N ATOM 67 CA GLN A 8 0.949 3.848 -13.999 1.00 0.00 C ATOM 68 C GLN A 8 0.850 2.977 -12.752 1.00 0.00 C ATOM 69 O GLN A 8 0.721 3.483 -11.636 1.00 0.00 O ATOM 70 CB GLN A 8 2.416 4.144 -14.314 1.00 0.00 C ATOM 71 CG GLN A 8 3.184 4.728 -13.139 1.00 0.00 C ATOM 72 CD GLN A 8 4.672 4.833 -13.409 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.314 3.859 -13.802 1.00 0.00 O ATOM 74 NE2 GLN A 8 5.229 6.020 -13.200 1.00 0.00 N ATOM 0 HA GLN A 8 0.508 3.305 -14.835 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.903 3.223 -14.634 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.466 4.839 -15.152 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.790 5.718 -12.908 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.021 4.106 -12.258 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.659 6.801 -12.874 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.227 6.151 -13.366 1.00 0.00 H new ATOM 83 N LEU A 9 0.910 1.664 -12.947 1.00 0.00 N ATOM 84 CA LEU A 9 0.827 0.721 -11.837 1.00 0.00 C ATOM 85 C LEU A 9 2.200 0.490 -11.215 1.00 0.00 C ATOM 86 O LEU A 9 3.190 0.295 -11.922 1.00 0.00 O ATOM 87 CB LEU A 9 0.241 -0.609 -12.314 1.00 0.00 C ATOM 88 CG LEU A 9 -1.284 -0.723 -12.274 1.00 0.00 C ATOM 89 CD1 LEU A 9 -1.886 -0.309 -13.607 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.702 -2.141 -11.915 1.00 0.00 C ATOM 0 H LEU A 9 1.016 1.228 -13.863 1.00 0.00 H new ATOM 0 HA LEU A 9 0.172 1.149 -11.078 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.572 -0.782 -13.338 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.661 -1.408 -11.704 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.660 -0.048 -11.505 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.971 -0.397 -13.559 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.615 0.724 -13.824 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.504 -0.957 -14.396 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.790 -2.205 -11.891 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.314 -2.835 -12.661 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.302 -2.401 -10.935 1.00 0.00 H new ATOM 102 N LEU A 10 2.254 0.511 -9.887 1.00 0.00 N ATOM 103 CA LEU A 10 3.506 0.301 -9.169 1.00 0.00 C ATOM 104 C LEU A 10 3.579 -1.114 -8.604 1.00 0.00 C ATOM 105 O LEU A 10 2.556 -1.723 -8.289 1.00 0.00 O ATOM 106 CB LEU A 10 3.645 1.322 -8.038 1.00 0.00 C ATOM 107 CG LEU A 10 2.989 2.682 -8.277 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.358 3.655 -7.169 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.394 3.238 -9.635 1.00 0.00 C ATOM 0 H LEU A 10 1.445 0.671 -9.286 1.00 0.00 H new ATOM 0 HA LEU A 10 4.327 0.434 -9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.220 0.890 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.706 1.481 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 10 1.907 2.549 -8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.882 4.617 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.017 3.262 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.440 3.784 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.918 4.206 -9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.477 3.356 -9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.078 2.550 -10.419 1.00 0.00 H new ATOM 121 N THR A 11 4.797 -1.632 -8.476 1.00 0.00 N ATOM 122 CA THR A 11 5.004 -2.975 -7.948 1.00 0.00 C ATOM 123 C THR A 11 5.570 -2.928 -6.533 1.00 0.00 C ATOM 124 O THR A 11 6.774 -2.755 -6.340 1.00 0.00 O ATOM 125 CB THR A 11 5.957 -3.789 -8.843 1.00 0.00 C ATOM 126 OG1 THR A 11 5.544 -3.696 -10.211 1.00 0.00 O ATOM 127 CG2 THR A 11 5.986 -5.249 -8.415 1.00 0.00 C ATOM 0 H THR A 11 5.655 -1.142 -8.731 1.00 0.00 H new ATOM 0 HA THR A 11 4.029 -3.462 -7.930 1.00 0.00 H new ATOM 0 HB THR A 11 6.960 -3.376 -8.738 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.156 -4.215 -10.774 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.666 -5.804 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.329 -5.319 -7.383 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.984 -5.671 -8.494 1.00 0.00 H new ATOM 135 N LEU A 12 4.695 -3.083 -5.546 1.00 0.00 N ATOM 136 CA LEU A 12 5.108 -3.059 -4.147 1.00 0.00 C ATOM 137 C LEU A 12 4.753 -4.370 -3.452 1.00 0.00 C ATOM 138 O LEU A 12 4.089 -5.231 -4.029 1.00 0.00 O ATOM 139 CB LEU A 12 4.446 -1.888 -3.419 1.00 0.00 C ATOM 140 CG LEU A 12 4.310 -0.592 -4.219 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.146 0.238 -3.698 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.603 0.208 -4.163 1.00 0.00 C ATOM 0 H LEU A 12 3.695 -3.227 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 12 6.190 -2.933 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.452 -2.200 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.019 -1.676 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 12 4.110 -0.850 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.065 1.156 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.222 -0.333 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.316 0.486 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.488 1.127 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.834 0.455 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.416 -0.384 -4.584 1.00 0.00 H new ATOM 154 N LYS A 13 5.199 -4.514 -2.209 1.00 0.00 N ATOM 155 CA LYS A 13 4.927 -5.718 -1.432 1.00 0.00 C ATOM 156 C LYS A 13 4.142 -5.383 -0.168 1.00 0.00 C ATOM 157 O LYS A 13 4.451 -4.416 0.528 1.00 0.00 O ATOM 158 CB LYS A 13 6.236 -6.418 -1.062 1.00 0.00 C ATOM 159 CG LYS A 13 7.024 -6.908 -2.264 1.00 0.00 C ATOM 160 CD LYS A 13 8.011 -7.997 -1.877 1.00 0.00 C ATOM 161 CE LYS A 13 8.482 -8.780 -3.094 1.00 0.00 C ATOM 162 NZ LYS A 13 9.585 -8.080 -3.810 1.00 0.00 N ATOM 0 H LYS A 13 5.751 -3.811 -1.717 1.00 0.00 H new ATOM 0 HA LYS A 13 4.325 -6.388 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.856 -5.730 -0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.014 -7.265 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.337 -7.290 -3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.560 -6.073 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.870 -7.550 -1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.544 -8.676 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.821 -9.768 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.645 -8.931 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.878 -8.645 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.254 -7.147 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.394 -7.958 -3.168 1.00 0.00 H new ATOM 176 N ILE A 14 3.127 -6.190 0.124 1.00 0.00 N ATOM 177 CA ILE A 14 2.300 -5.980 1.306 1.00 0.00 C ATOM 178 C ILE A 14 2.703 -6.926 2.433 1.00 0.00 C ATOM 179 O ILE A 14 2.873 -8.127 2.220 1.00 0.00 O ATOM 180 CB ILE A 14 0.806 -6.182 0.991 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.323 -5.117 0.004 1.00 0.00 C ATOM 182 CG2 ILE A 14 -0.015 -6.137 2.271 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.774 -5.364 -1.419 1.00 0.00 C ATOM 0 H ILE A 14 2.858 -6.995 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 14 2.459 -4.950 1.624 1.00 0.00 H new ATOM 0 HB ILE A 14 0.675 -7.162 0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.766 -5.076 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.686 -4.142 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.069 -6.281 2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.316 -6.928 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.118 -5.169 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.396 -4.571 -2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.863 -5.375 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.389 -6.324 -1.761 1.00 0.00 H new ATOM 195 N LYS A 15 2.852 -6.377 3.634 1.00 0.00 N ATOM 196 CA LYS A 15 3.231 -7.171 4.797 1.00 0.00 C ATOM 197 C LYS A 15 2.772 -6.499 6.087 1.00 0.00 C ATOM 198 O LYS A 15 2.977 -5.300 6.280 1.00 0.00 O ATOM 199 CB LYS A 15 4.747 -7.375 4.827 1.00 0.00 C ATOM 200 CG LYS A 15 5.235 -8.126 6.055 1.00 0.00 C ATOM 201 CD LYS A 15 5.552 -7.178 7.199 1.00 0.00 C ATOM 202 CE LYS A 15 6.317 -7.882 8.310 1.00 0.00 C ATOM 203 NZ LYS A 15 5.407 -8.630 9.221 1.00 0.00 N ATOM 0 H LYS A 15 2.716 -5.385 3.827 1.00 0.00 H new ATOM 0 HA LYS A 15 2.741 -8.142 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.050 -7.921 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.237 -6.402 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.474 -8.839 6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.125 -8.701 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.140 -6.339 6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.626 -6.765 7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.040 -8.571 7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.882 -7.148 8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.971 -9.164 9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.789 -7.960 9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.825 -9.289 8.666 1.00 0.00 H new ATOM 217 N CYS A 16 2.152 -7.278 6.966 1.00 0.00 N ATOM 218 CA CYS A 16 1.664 -6.758 8.238 1.00 0.00 C ATOM 219 C CYS A 16 2.794 -6.674 9.260 1.00 0.00 C ATOM 220 O CYS A 16 3.064 -7.634 9.982 1.00 0.00 O ATOM 221 CB CYS A 16 0.538 -7.642 8.776 1.00 0.00 C ATOM 222 SG CYS A 16 -1.102 -7.212 8.148 1.00 0.00 S ATOM 0 H CYS A 16 1.975 -8.272 6.821 1.00 0.00 H new ATOM 0 HA CYS A 16 1.277 -5.753 8.068 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.752 -8.680 8.521 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.527 -7.576 9.864 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.265 -5.924 8.207 1.00 0.00 H new ATOM 340 N ILE A 24 4.278 -12.305 3.083 1.00 0.00 N ATOM 341 CA ILE A 24 4.331 -11.125 2.229 1.00 0.00 C ATOM 342 C ILE A 24 3.868 -11.450 0.813 1.00 0.00 C ATOM 343 O ILE A 24 4.191 -12.507 0.269 1.00 0.00 O ATOM 344 CB ILE A 24 5.754 -10.537 2.169 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.375 -10.505 3.567 1.00 0.00 C ATOM 346 CG2 ILE A 24 5.725 -9.141 1.565 1.00 0.00 C ATOM 347 CD1 ILE A 24 7.661 -9.712 3.639 1.00 0.00 C ATOM 0 HA ILE A 24 3.660 -10.387 2.668 1.00 0.00 H new ATOM 0 HB ILE A 24 6.368 -11.174 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.655 -10.079 4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.569 -11.527 3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.737 -8.739 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.318 -9.190 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.098 -8.493 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.045 -9.733 4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.397 -10.151 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.469 -8.680 3.344 1.00 0.00 H new ATOM 359 N LEU A 25 3.110 -10.534 0.220 1.00 0.00 N ATOM 360 CA LEU A 25 2.603 -10.721 -1.135 1.00 0.00 C ATOM 361 C LEU A 25 2.980 -9.542 -2.026 1.00 0.00 C ATOM 362 O LEU A 25 3.521 -8.543 -1.552 1.00 0.00 O ATOM 363 CB LEU A 25 1.083 -10.892 -1.112 1.00 0.00 C ATOM 364 CG LEU A 25 0.497 -11.530 0.148 1.00 0.00 C ATOM 365 CD1 LEU A 25 -0.907 -11.008 0.408 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.490 -13.047 0.024 1.00 0.00 C ATOM 0 H LEU A 25 2.833 -9.655 0.656 1.00 0.00 H new ATOM 0 HA LEU A 25 3.058 -11.622 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.625 -9.912 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.793 -11.498 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 25 1.126 -11.258 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.307 -11.474 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.874 -9.927 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.548 -11.249 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.070 -13.484 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.115 -13.339 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.510 -13.406 -0.112 1.00 0.00 H new ATOM 378 N GLU A 26 2.689 -9.666 -3.317 1.00 0.00 N ATOM 379 CA GLU A 26 2.997 -8.609 -4.273 1.00 0.00 C ATOM 380 C GLU A 26 1.761 -8.232 -5.085 1.00 0.00 C ATOM 381 O GLU A 26 1.167 -9.073 -5.760 1.00 0.00 O ATOM 382 CB GLU A 26 4.122 -9.051 -5.212 1.00 0.00 C ATOM 383 CG GLU A 26 4.774 -7.904 -5.964 1.00 0.00 C ATOM 384 CD GLU A 26 4.008 -7.515 -7.213 1.00 0.00 C ATOM 385 OE1 GLU A 26 4.246 -8.135 -8.271 1.00 0.00 O ATOM 386 OE2 GLU A 26 3.172 -6.591 -7.134 1.00 0.00 O ATOM 0 H GLU A 26 2.241 -10.487 -3.725 1.00 0.00 H new ATOM 0 HA GLU A 26 3.324 -7.733 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.883 -9.573 -4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.723 -9.766 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.850 -7.039 -5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.790 -8.186 -6.239 1.00 0.00 H new ATOM 393 N LYS A 27 1.379 -6.961 -5.013 1.00 0.00 N ATOM 394 CA LYS A 27 0.214 -6.470 -5.741 1.00 0.00 C ATOM 395 C LYS A 27 0.569 -5.239 -6.569 1.00 0.00 C ATOM 396 O LYS A 27 1.417 -4.439 -6.174 1.00 0.00 O ATOM 397 CB LYS A 27 -0.917 -6.134 -4.766 1.00 0.00 C ATOM 398 CG LYS A 27 -2.219 -5.757 -5.452 1.00 0.00 C ATOM 399 CD LYS A 27 -3.059 -6.984 -5.766 1.00 0.00 C ATOM 400 CE LYS A 27 -4.298 -6.621 -6.569 1.00 0.00 C ATOM 401 NZ LYS A 27 -4.015 -6.564 -8.030 1.00 0.00 N ATOM 0 H LYS A 27 1.859 -6.252 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.119 -7.257 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.093 -6.992 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.601 -5.310 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.786 -5.081 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.003 -5.217 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.460 -7.703 -6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.356 -7.470 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.082 -7.355 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.678 -5.655 -6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.885 -6.314 -8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.285 -5.846 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.677 -7.492 -8.355 1.00 0.00 H new ATOM 415 N GLN A 28 -0.086 -5.095 -7.716 1.00 0.00 N ATOM 416 CA GLN A 28 0.161 -3.961 -8.598 1.00 0.00 C ATOM 417 C GLN A 28 -1.061 -3.051 -8.671 1.00 0.00 C ATOM 418 O GLN A 28 -2.131 -3.467 -9.117 1.00 0.00 O ATOM 419 CB GLN A 28 0.533 -4.449 -10.000 1.00 0.00 C ATOM 420 CG GLN A 28 1.942 -5.011 -10.095 1.00 0.00 C ATOM 421 CD GLN A 28 2.209 -5.696 -11.420 1.00 0.00 C ATOM 422 OE1 GLN A 28 1.770 -6.823 -11.649 1.00 0.00 O ATOM 423 NE2 GLN A 28 2.932 -5.016 -12.303 1.00 0.00 N ATOM 0 H GLN A 28 -0.791 -5.749 -8.056 1.00 0.00 H new ATOM 0 HA GLN A 28 0.993 -3.389 -8.188 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.177 -5.216 -10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.433 -3.621 -10.702 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.661 -4.204 -9.956 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.101 -5.722 -9.284 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.276 -4.084 -12.071 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.143 -5.426 -13.213 1.00 0.00 H new ATOM 432 N LEU A 29 -0.895 -1.809 -8.230 1.00 0.00 N ATOM 433 CA LEU A 29 -1.985 -0.840 -8.245 1.00 0.00 C ATOM 434 C LEU A 29 -1.539 0.472 -8.882 1.00 0.00 C ATOM 435 O LEU A 29 -0.372 0.857 -8.816 1.00 0.00 O ATOM 436 CB LEU A 29 -2.486 -0.585 -6.822 1.00 0.00 C ATOM 437 CG LEU A 29 -2.686 -1.824 -5.949 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.654 -2.793 -6.610 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.353 -2.503 -5.673 1.00 0.00 C ATOM 0 H LEU A 29 -0.016 -1.449 -7.858 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.798 -1.254 -8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.778 0.077 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.434 -0.051 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.114 -1.509 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.784 -3.669 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.617 -2.303 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.256 -3.102 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.515 -3.383 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.896 -2.805 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.691 -1.809 -5.155 1.00 0.00 H new ATOM 451 N PRO A 30 -2.490 1.177 -9.514 1.00 0.00 N ATOM 452 CA PRO A 30 -2.219 2.458 -10.173 1.00 0.00 C ATOM 453 C PRO A 30 -1.918 3.571 -9.175 1.00 0.00 C ATOM 454 O PRO A 30 -2.728 3.863 -8.294 1.00 0.00 O ATOM 455 CB PRO A 30 -3.519 2.751 -10.925 1.00 0.00 C ATOM 456 CG PRO A 30 -4.570 2.014 -10.169 1.00 0.00 C ATOM 457 CD PRO A 30 -3.902 0.778 -9.632 1.00 0.00 C ATOM 0 HA PRO A 30 -1.340 2.408 -10.816 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.728 3.820 -10.952 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.463 2.411 -11.959 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.970 2.625 -9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.408 1.755 -10.816 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.318 0.483 -8.669 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.025 -0.070 -10.306 1.00 0.00 H new ATOM 465 N ASP A 31 -0.751 4.189 -9.319 1.00 0.00 N ATOM 466 CA ASP A 31 -0.345 5.272 -8.431 1.00 0.00 C ATOM 467 C ASP A 31 -1.504 6.230 -8.175 1.00 0.00 C ATOM 468 O ASP A 31 -1.539 6.920 -7.157 1.00 0.00 O ATOM 469 CB ASP A 31 0.840 6.032 -9.028 1.00 0.00 C ATOM 470 CG ASP A 31 0.502 6.680 -10.357 1.00 0.00 C ATOM 471 OD1 ASP A 31 -0.209 7.706 -10.352 1.00 0.00 O ATOM 472 OD2 ASP A 31 0.947 6.159 -11.401 1.00 0.00 O ATOM 0 H ASP A 31 -0.070 3.959 -10.042 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.044 4.834 -7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.167 6.799 -8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.677 5.346 -9.164 1.00 0.00 H new ATOM 477 N SER A 32 -2.451 6.267 -9.108 1.00 0.00 N ATOM 478 CA SER A 32 -3.609 7.144 -8.986 1.00 0.00 C ATOM 479 C SER A 32 -4.482 6.731 -7.805 1.00 0.00 C ATOM 480 O SER A 32 -4.961 7.575 -7.048 1.00 0.00 O ATOM 481 CB SER A 32 -4.432 7.118 -10.276 1.00 0.00 C ATOM 482 OG SER A 32 -5.670 7.787 -10.104 1.00 0.00 O ATOM 0 H SER A 32 -2.438 5.700 -9.956 1.00 0.00 H new ATOM 0 HA SER A 32 -3.249 8.158 -8.812 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.868 7.590 -11.080 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.611 6.086 -10.576 1.00 0.00 H new ATOM 0 HG SER A 32 -6.177 7.758 -10.942 1.00 0.00 H new ATOM 488 N MET A 33 -4.683 5.426 -7.654 1.00 0.00 N ATOM 489 CA MET A 33 -5.497 4.900 -6.564 1.00 0.00 C ATOM 490 C MET A 33 -5.166 5.601 -5.251 1.00 0.00 C ATOM 491 O MET A 33 -4.015 5.615 -4.815 1.00 0.00 O ATOM 492 CB MET A 33 -5.280 3.392 -6.419 1.00 0.00 C ATOM 493 CG MET A 33 -6.476 2.660 -5.832 1.00 0.00 C ATOM 494 SD MET A 33 -6.606 0.960 -6.417 1.00 0.00 S ATOM 495 CE MET A 33 -5.778 0.082 -5.093 1.00 0.00 C ATOM 0 H MET A 33 -4.294 4.714 -8.272 1.00 0.00 H new ATOM 0 HA MET A 33 -6.544 5.088 -6.802 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.051 2.970 -7.398 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.411 3.218 -5.785 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.400 2.661 -4.745 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.388 3.199 -6.088 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.885 -0.992 -5.246 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.720 0.345 -5.088 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.225 0.358 -4.138 1.00 0.00 H new ATOM 505 N THR A 34 -6.184 6.184 -4.624 1.00 0.00 N ATOM 506 CA THR A 34 -6.000 6.889 -3.361 1.00 0.00 C ATOM 507 C THR A 34 -5.719 5.915 -2.224 1.00 0.00 C ATOM 508 O THR A 34 -6.302 4.832 -2.161 1.00 0.00 O ATOM 509 CB THR A 34 -7.238 7.733 -3.005 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.421 6.930 -3.092 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.363 8.931 -3.934 1.00 0.00 C ATOM 0 H THR A 34 -7.143 6.182 -4.970 1.00 0.00 H new ATOM 0 HA THR A 34 -5.143 7.550 -3.489 1.00 0.00 H new ATOM 0 HB THR A 34 -7.120 8.096 -1.984 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.203 7.474 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.245 9.511 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.475 9.556 -3.843 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.459 8.585 -4.963 1.00 0.00 H new ATOM 519 N VAL A 35 -4.821 6.305 -1.324 1.00 0.00 N ATOM 520 CA VAL A 35 -4.463 5.466 -0.187 1.00 0.00 C ATOM 521 C VAL A 35 -5.699 4.820 0.429 1.00 0.00 C ATOM 522 O VAL A 35 -5.684 3.641 0.781 1.00 0.00 O ATOM 523 CB VAL A 35 -3.726 6.275 0.897 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.419 5.398 2.102 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.452 6.884 0.332 1.00 0.00 C ATOM 0 H VAL A 35 -4.328 7.197 -1.361 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.799 4.688 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.375 7.087 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.898 5.987 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.350 5.014 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.789 4.564 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.944 7.452 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.796 6.090 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.702 7.547 -0.496 1.00 0.00 H new ATOM 535 N GLN A 36 -6.767 5.600 0.556 1.00 0.00 N ATOM 536 CA GLN A 36 -8.012 5.103 1.131 1.00 0.00 C ATOM 537 C GLN A 36 -8.487 3.852 0.399 1.00 0.00 C ATOM 538 O GLN A 36 -8.945 2.893 1.020 1.00 0.00 O ATOM 539 CB GLN A 36 -9.093 6.184 1.073 1.00 0.00 C ATOM 540 CG GLN A 36 -10.131 6.066 2.176 1.00 0.00 C ATOM 541 CD GLN A 36 -11.358 6.917 1.917 1.00 0.00 C ATOM 542 OE1 GLN A 36 -12.309 6.476 1.272 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.343 8.146 2.420 1.00 0.00 N ATOM 0 H GLN A 36 -6.796 6.578 0.269 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.824 4.844 2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.619 7.164 1.135 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.595 6.133 0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.432 5.023 2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.683 6.361 3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.533 8.471 2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.141 8.765 2.278 1.00 0.00 H new ATOM 552 N LYS A 37 -8.377 3.869 -0.925 1.00 0.00 N ATOM 553 CA LYS A 37 -8.794 2.737 -1.743 1.00 0.00 C ATOM 554 C LYS A 37 -7.967 1.497 -1.418 1.00 0.00 C ATOM 555 O LYS A 37 -8.500 0.392 -1.319 1.00 0.00 O ATOM 556 CB LYS A 37 -8.660 3.078 -3.229 1.00 0.00 C ATOM 557 CG LYS A 37 -9.641 4.137 -3.701 1.00 0.00 C ATOM 558 CD LYS A 37 -11.004 3.538 -4.005 1.00 0.00 C ATOM 559 CE LYS A 37 -11.057 2.959 -5.411 1.00 0.00 C ATOM 560 NZ LYS A 37 -12.122 1.927 -5.546 1.00 0.00 N ATOM 0 H LYS A 37 -8.002 4.656 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.839 2.524 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.645 3.423 -3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.807 2.171 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.743 4.907 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.250 4.625 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.229 2.756 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.772 4.304 -3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.235 3.761 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.091 2.519 -5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.126 1.557 -6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.938 1.149 -4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.047 2.353 -5.334 1.00 0.00 H new ATOM 574 N VAL A 38 -6.662 1.688 -1.252 1.00 0.00 N ATOM 575 CA VAL A 38 -5.762 0.586 -0.936 1.00 0.00 C ATOM 576 C VAL A 38 -6.100 -0.028 0.418 1.00 0.00 C ATOM 577 O VAL A 38 -6.036 -1.245 0.593 1.00 0.00 O ATOM 578 CB VAL A 38 -4.292 1.047 -0.926 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.371 -0.114 -0.581 1.00 0.00 C ATOM 580 CG2 VAL A 38 -3.916 1.656 -2.268 1.00 0.00 C ATOM 0 H VAL A 38 -6.205 2.596 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.894 -0.164 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.174 1.813 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.337 0.230 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.627 -0.501 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.489 -0.904 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.874 1.976 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.049 0.913 -3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.555 2.516 -2.469 1.00 0.00 H new ATOM 590 N LYS A 39 -6.459 0.822 1.374 1.00 0.00 N ATOM 591 CA LYS A 39 -6.809 0.364 2.713 1.00 0.00 C ATOM 592 C LYS A 39 -8.137 -0.387 2.702 1.00 0.00 C ATOM 593 O LYS A 39 -8.312 -1.368 3.424 1.00 0.00 O ATOM 594 CB LYS A 39 -6.892 1.552 3.675 1.00 0.00 C ATOM 595 CG LYS A 39 -5.560 2.248 3.898 1.00 0.00 C ATOM 596 CD LYS A 39 -5.730 3.539 4.680 1.00 0.00 C ATOM 597 CE LYS A 39 -4.418 3.991 5.302 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.616 5.109 6.265 1.00 0.00 N ATOM 0 H LYS A 39 -6.515 1.832 1.246 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.029 -0.318 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.609 2.275 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.277 1.206 4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.886 1.582 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.095 2.463 2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.108 4.319 4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.475 3.396 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.950 3.150 5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.733 4.307 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.732 5.649 6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.371 5.735 5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.884 4.724 7.193 1.00 0.00 H new ATOM 612 N GLY A 40 -9.069 0.079 1.876 1.00 0.00 N ATOM 613 CA GLY A 40 -10.367 -0.562 1.785 1.00 0.00 C ATOM 614 C GLY A 40 -10.297 -1.924 1.122 1.00 0.00 C ATOM 615 O GLY A 40 -11.119 -2.799 1.395 1.00 0.00 O ATOM 0 H GLY A 40 -8.948 0.889 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.786 -0.670 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.046 0.078 1.222 1.00 0.00 H new ATOM 619 N LEU A 41 -9.314 -2.103 0.246 1.00 0.00 N ATOM 620 CA LEU A 41 -9.140 -3.368 -0.460 1.00 0.00 C ATOM 621 C LEU A 41 -8.841 -4.500 0.517 1.00 0.00 C ATOM 622 O LEU A 41 -9.339 -5.616 0.361 1.00 0.00 O ATOM 623 CB LEU A 41 -8.010 -3.251 -1.484 1.00 0.00 C ATOM 624 CG LEU A 41 -7.484 -4.568 -2.057 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.358 -5.034 -3.211 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.039 -4.415 -2.508 1.00 0.00 C ATOM 0 H LEU A 41 -8.626 -1.389 0.008 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.071 -3.597 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.358 -2.632 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.178 -2.723 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.520 -5.324 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.969 -5.972 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.378 -5.185 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.355 -4.280 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.682 -5.362 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.978 -3.645 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.421 -4.128 -1.657 1.00 0.00 H new ATOM 638 N LEU A 42 -8.028 -4.206 1.525 1.00 0.00 N ATOM 639 CA LEU A 42 -7.664 -5.199 2.530 1.00 0.00 C ATOM 640 C LEU A 42 -8.596 -5.120 3.735 1.00 0.00 C ATOM 641 O LEU A 42 -8.747 -6.089 4.480 1.00 0.00 O ATOM 642 CB LEU A 42 -6.215 -4.995 2.976 1.00 0.00 C ATOM 643 CG LEU A 42 -5.144 -5.254 1.916 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.857 -4.525 2.269 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.890 -6.747 1.768 1.00 0.00 C ATOM 0 H LEU A 42 -7.608 -3.288 1.669 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.763 -6.188 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.106 -3.970 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.022 -5.649 3.826 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.505 -4.871 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.106 -4.721 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.049 -3.453 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.492 -4.877 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.125 -6.912 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.551 -7.155 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.812 -7.245 1.468 1.00 0.00 H new ATOM 657 N SER A 43 -9.219 -3.961 3.920 1.00 0.00 N ATOM 658 CA SER A 43 -10.135 -3.755 5.036 1.00 0.00 C ATOM 659 C SER A 43 -11.093 -4.934 5.177 1.00 0.00 C ATOM 660 O SER A 43 -11.536 -5.259 6.279 1.00 0.00 O ATOM 661 CB SER A 43 -10.927 -2.460 4.841 1.00 0.00 C ATOM 662 OG SER A 43 -12.122 -2.474 5.603 1.00 0.00 O ATOM 0 H SER A 43 -9.106 -3.150 3.312 1.00 0.00 H new ATOM 0 HA SER A 43 -9.545 -3.678 5.949 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.315 -1.608 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.166 -2.332 3.785 1.00 0.00 H new ATOM 0 HG SER A 43 -11.901 -2.500 6.557 1.00 0.00 H new ATOM 668 N ARG A 44 -11.408 -5.570 4.054 1.00 0.00 N ATOM 669 CA ARG A 44 -12.314 -6.713 4.051 1.00 0.00 C ATOM 670 C ARG A 44 -11.548 -8.014 4.271 1.00 0.00 C ATOM 671 O ARG A 44 -12.109 -9.004 4.745 1.00 0.00 O ATOM 672 CB ARG A 44 -13.083 -6.777 2.730 1.00 0.00 C ATOM 673 CG ARG A 44 -14.087 -5.650 2.555 1.00 0.00 C ATOM 674 CD ARG A 44 -15.379 -5.933 3.307 1.00 0.00 C ATOM 675 NE ARG A 44 -16.348 -4.851 3.155 1.00 0.00 N ATOM 676 CZ ARG A 44 -17.545 -4.851 3.731 1.00 0.00 C ATOM 677 NH1 ARG A 44 -17.917 -5.869 4.494 1.00 0.00 N ATOM 678 NH2 ARG A 44 -18.372 -3.830 3.545 1.00 0.00 N ATOM 0 H ARG A 44 -11.049 -5.314 3.134 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.022 -6.586 4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.372 -6.751 1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.606 -7.731 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.653 -4.716 2.913 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.304 -5.515 1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.814 -6.864 2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.159 -6.077 4.365 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.092 -4.052 2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.284 -6.655 4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.837 -5.866 4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.089 -3.044 2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.291 -3.831 3.988 1.00 0.00 H new ATOM 692 N LEU A 45 -10.266 -8.006 3.924 1.00 0.00 N ATOM 693 CA LEU A 45 -9.423 -9.186 4.082 1.00 0.00 C ATOM 694 C LEU A 45 -9.112 -9.439 5.554 1.00 0.00 C ATOM 695 O LEU A 45 -9.357 -10.530 6.073 1.00 0.00 O ATOM 696 CB LEU A 45 -8.122 -9.017 3.296 1.00 0.00 C ATOM 697 CG LEU A 45 -8.147 -9.502 1.846 1.00 0.00 C ATOM 698 CD1 LEU A 45 -8.585 -10.957 1.777 1.00 0.00 C ATOM 699 CD2 LEU A 45 -9.064 -8.626 1.006 1.00 0.00 C ATOM 0 H LEU A 45 -9.787 -7.195 3.531 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.967 -10.046 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.853 -7.961 3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.331 -9.550 3.823 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.138 -9.429 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.597 -11.285 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.888 -11.574 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.585 -11.057 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.069 -8.986 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.076 -8.666 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.705 -7.597 1.028 1.00 0.00 H new ATOM 711 N LEU A 46 -8.574 -8.426 6.222 1.00 0.00 N ATOM 712 CA LEU A 46 -8.231 -8.537 7.636 1.00 0.00 C ATOM 713 C LEU A 46 -9.404 -8.116 8.515 1.00 0.00 C ATOM 714 O LEU A 46 -9.346 -8.225 9.740 1.00 0.00 O ATOM 715 CB LEU A 46 -7.007 -7.677 7.953 1.00 0.00 C ATOM 716 CG LEU A 46 -5.719 -8.042 7.213 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.782 -6.846 7.149 1.00 0.00 C ATOM 718 CD2 LEU A 46 -5.034 -9.223 7.886 1.00 0.00 C ATOM 0 H LEU A 46 -8.365 -7.518 5.808 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.998 -9.581 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.250 -6.638 7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.815 -7.735 9.024 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.977 -8.329 6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.871 -7.125 6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.272 -6.028 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.530 -6.527 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.119 -9.469 7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.789 -8.963 8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.702 -10.084 7.878 1.00 0.00 H new ATOM 730 N LYS A 47 -10.469 -7.637 7.882 1.00 0.00 N ATOM 731 CA LYS A 47 -11.659 -7.203 8.605 1.00 0.00 C ATOM 732 C LYS A 47 -11.348 -6.002 9.492 1.00 0.00 C ATOM 733 O LYS A 47 -11.899 -5.865 10.584 1.00 0.00 O ATOM 734 CB LYS A 47 -12.211 -8.349 9.456 1.00 0.00 C ATOM 735 CG LYS A 47 -12.017 -9.719 8.829 1.00 0.00 C ATOM 736 CD LYS A 47 -12.565 -9.766 7.412 1.00 0.00 C ATOM 737 CE LYS A 47 -14.037 -10.149 7.396 1.00 0.00 C ATOM 738 NZ LYS A 47 -14.921 -8.955 7.501 1.00 0.00 N ATOM 0 H LYS A 47 -10.533 -7.539 6.869 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.411 -6.908 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.725 -8.333 10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.275 -8.184 9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.956 -9.968 8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.516 -10.473 9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.436 -8.793 6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.995 -10.485 6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.262 -10.688 6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.245 -10.829 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.627 -9.110 8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.348 -8.118 7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.406 -8.801 6.594 1.00 0.00 H new ATOM 752 N VAL A 48 -10.462 -5.133 9.015 1.00 0.00 N ATOM 753 CA VAL A 48 -10.080 -3.941 9.764 1.00 0.00 C ATOM 754 C VAL A 48 -10.604 -2.678 9.091 1.00 0.00 C ATOM 755 O VAL A 48 -10.569 -2.535 7.869 1.00 0.00 O ATOM 756 CB VAL A 48 -8.551 -3.836 9.909 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.169 -2.550 10.627 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.001 -5.050 10.643 1.00 0.00 C ATOM 0 H VAL A 48 -9.995 -5.232 8.113 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.526 -4.033 10.754 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.110 -3.812 8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.084 -2.494 10.720 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.529 -1.694 10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.619 -2.540 11.620 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.919 -4.959 10.737 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.447 -5.108 11.636 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.242 -5.954 10.083 1.00 0.00 H new ATOM 768 N PRO A 49 -11.102 -1.736 9.906 1.00 0.00 N ATOM 769 CA PRO A 49 -11.643 -0.466 9.412 1.00 0.00 C ATOM 770 C PRO A 49 -10.556 0.449 8.858 1.00 0.00 C ATOM 771 O PRO A 49 -9.568 0.736 9.533 1.00 0.00 O ATOM 772 CB PRO A 49 -12.282 0.155 10.656 1.00 0.00 C ATOM 773 CG PRO A 49 -11.543 -0.445 11.802 1.00 0.00 C ATOM 774 CD PRO A 49 -11.176 -1.839 11.373 1.00 0.00 C ATOM 0 HA PRO A 49 -12.340 -0.612 8.587 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.188 1.241 10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.347 -0.072 10.709 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.653 0.137 12.040 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.162 -0.463 12.699 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.225 -2.154 11.802 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.924 -2.566 11.688 1.00 0.00 H new ATOM 782 N VAL A 50 -10.747 0.906 7.624 1.00 0.00 N ATOM 783 CA VAL A 50 -9.784 1.791 6.979 1.00 0.00 C ATOM 784 C VAL A 50 -9.249 2.829 7.959 1.00 0.00 C ATOM 785 O VAL A 50 -8.141 3.340 7.795 1.00 0.00 O ATOM 786 CB VAL A 50 -10.407 2.515 5.771 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.512 3.655 5.311 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.662 1.535 4.636 1.00 0.00 C ATOM 0 H VAL A 50 -11.560 0.678 7.051 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.962 1.165 6.633 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.364 2.938 6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.969 4.154 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.386 4.370 6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.538 3.259 5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.102 2.064 3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.720 1.081 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.347 0.757 4.974 1.00 0.00 H new ATOM 798 N SER A 51 -10.043 3.135 8.980 1.00 0.00 N ATOM 799 CA SER A 51 -9.652 4.115 9.986 1.00 0.00 C ATOM 800 C SER A 51 -8.499 3.590 10.837 1.00 0.00 C ATOM 801 O SER A 51 -7.542 4.310 11.117 1.00 0.00 O ATOM 802 CB SER A 51 -10.843 4.464 10.880 1.00 0.00 C ATOM 803 OG SER A 51 -11.591 5.538 10.338 1.00 0.00 O ATOM 0 H SER A 51 -10.961 2.718 9.132 1.00 0.00 H new ATOM 0 HA SER A 51 -9.319 5.015 9.470 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.485 3.590 10.993 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.488 4.730 11.876 1.00 0.00 H new ATOM 0 HG SER A 51 -12.347 5.740 10.927 1.00 0.00 H new ATOM 809 N GLU A 52 -8.600 2.328 11.244 1.00 0.00 N ATOM 810 CA GLU A 52 -7.567 1.706 12.064 1.00 0.00 C ATOM 811 C GLU A 52 -6.432 1.172 11.195 1.00 0.00 C ATOM 812 O GLU A 52 -5.405 0.721 11.704 1.00 0.00 O ATOM 813 CB GLU A 52 -8.162 0.570 12.899 1.00 0.00 C ATOM 814 CG GLU A 52 -9.184 1.038 13.921 1.00 0.00 C ATOM 815 CD GLU A 52 -9.789 -0.109 14.708 1.00 0.00 C ATOM 816 OE1 GLU A 52 -9.168 -1.191 14.752 1.00 0.00 O ATOM 817 OE2 GLU A 52 -10.883 0.077 15.280 1.00 0.00 O ATOM 0 H GLU A 52 -9.386 1.717 11.019 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.164 2.466 12.733 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.632 -0.152 12.232 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.356 0.049 13.416 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.710 1.736 14.610 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.979 1.583 13.412 1.00 0.00 H new ATOM 824 N LEU A 53 -6.624 1.226 9.882 1.00 0.00 N ATOM 825 CA LEU A 53 -5.617 0.748 8.940 1.00 0.00 C ATOM 826 C LEU A 53 -4.596 1.839 8.635 1.00 0.00 C ATOM 827 O LEU A 53 -4.880 2.781 7.894 1.00 0.00 O ATOM 828 CB LEU A 53 -6.283 0.280 7.645 1.00 0.00 C ATOM 829 CG LEU A 53 -6.800 -1.159 7.638 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.532 -1.457 6.339 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.653 -2.138 7.843 1.00 0.00 C ATOM 0 H LEU A 53 -7.468 1.596 9.445 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.097 -0.093 9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.118 0.946 7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.567 0.392 6.831 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.504 -1.276 8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.893 -2.486 6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.378 -0.777 6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.851 -1.322 5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.039 -3.157 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.925 -2.019 7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.172 -1.939 8.801 1.00 0.00 H new ATOM 843 N LEU A 54 -3.405 1.704 9.208 1.00 0.00 N ATOM 844 CA LEU A 54 -2.339 2.677 8.995 1.00 0.00 C ATOM 845 C LEU A 54 -1.290 2.133 8.031 1.00 0.00 C ATOM 846 O LEU A 54 -0.460 1.302 8.404 1.00 0.00 O ATOM 847 CB LEU A 54 -1.683 3.043 10.328 1.00 0.00 C ATOM 848 CG LEU A 54 -2.624 3.545 11.424 1.00 0.00 C ATOM 849 CD1 LEU A 54 -2.063 3.219 12.799 1.00 0.00 C ATOM 850 CD2 LEU A 54 -2.857 5.042 11.282 1.00 0.00 C ATOM 0 H LEU A 54 -3.153 0.931 9.823 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.779 3.572 8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.156 2.166 10.703 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.932 3.811 10.142 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.582 3.037 11.315 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.746 3.584 13.566 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.948 2.140 12.899 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.092 3.700 12.919 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.529 5.382 12.070 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.906 5.568 11.364 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.304 5.250 10.310 1.00 0.00 H new ATOM 862 N LEU A 55 -1.330 2.608 6.792 1.00 0.00 N ATOM 863 CA LEU A 55 -0.381 2.171 5.773 1.00 0.00 C ATOM 864 C LEU A 55 0.874 3.037 5.792 1.00 0.00 C ATOM 865 O LEU A 55 0.800 4.258 5.650 1.00 0.00 O ATOM 866 CB LEU A 55 -1.029 2.221 4.389 1.00 0.00 C ATOM 867 CG LEU A 55 -1.643 0.914 3.887 1.00 0.00 C ATOM 868 CD1 LEU A 55 -2.589 0.335 4.928 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.370 1.137 2.569 1.00 0.00 C ATOM 0 H LEU A 55 -2.009 3.296 6.468 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.094 1.143 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.808 2.983 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.277 2.546 3.670 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.838 0.198 3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.017 -0.595 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.040 0.137 5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.389 1.047 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.800 0.196 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.165 1.869 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.666 1.506 1.823 1.00 0.00 H new ATOM 881 N SER A 56 2.026 2.397 5.965 1.00 0.00 N ATOM 882 CA SER A 56 3.298 3.109 6.003 1.00 0.00 C ATOM 883 C SER A 56 4.291 2.502 5.017 1.00 0.00 C ATOM 884 O SER A 56 4.660 1.333 5.131 1.00 0.00 O ATOM 885 CB SER A 56 3.882 3.078 7.417 1.00 0.00 C ATOM 886 OG SER A 56 3.893 1.759 7.935 1.00 0.00 O ATOM 0 H SER A 56 2.105 1.387 6.081 1.00 0.00 H new ATOM 0 HA SER A 56 3.115 4.144 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.897 3.475 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.295 3.724 8.070 1.00 0.00 H new ATOM 0 HG SER A 56 4.272 1.766 8.839 1.00 0.00 H new ATOM 892 N TYR A 57 4.720 3.304 4.049 1.00 0.00 N ATOM 893 CA TYR A 57 5.668 2.846 3.040 1.00 0.00 C ATOM 894 C TYR A 57 7.096 3.222 3.424 1.00 0.00 C ATOM 895 O TYR A 57 7.333 4.270 4.022 1.00 0.00 O ATOM 896 CB TYR A 57 5.321 3.443 1.675 1.00 0.00 C ATOM 897 CG TYR A 57 5.998 4.768 1.405 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.586 5.926 2.052 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.049 4.862 0.501 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.201 7.139 1.808 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.670 6.070 0.251 1.00 0.00 C ATOM 902 CZ TYR A 57 7.243 7.205 0.907 1.00 0.00 C ATOM 903 OH TYR A 57 7.859 8.411 0.659 1.00 0.00 O ATOM 0 H TYR A 57 4.426 4.275 3.942 1.00 0.00 H new ATOM 0 HA TYR A 57 5.601 1.760 2.981 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.603 2.735 0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.241 3.576 1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.770 5.877 2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.386 3.975 -0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.868 8.030 2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.486 6.125 -0.455 1.00 0.00 H new ATOM 0 HH TYR A 57 7.576 8.749 -0.216 1.00 0.00 H new ATOM 913 N GLU A 58 8.043 2.356 3.075 1.00 0.00 N ATOM 914 CA GLU A 58 9.447 2.597 3.383 1.00 0.00 C ATOM 915 C GLU A 58 10.227 2.957 2.122 1.00 0.00 C ATOM 916 O GLU A 58 10.466 2.108 1.263 1.00 0.00 O ATOM 917 CB GLU A 58 10.066 1.363 4.043 1.00 0.00 C ATOM 918 CG GLU A 58 11.422 1.627 4.677 1.00 0.00 C ATOM 919 CD GLU A 58 12.195 0.352 4.953 1.00 0.00 C ATOM 920 OE1 GLU A 58 11.700 -0.485 5.737 1.00 0.00 O ATOM 921 OE2 GLU A 58 13.295 0.191 4.385 1.00 0.00 O ATOM 0 H GLU A 58 7.863 1.483 2.580 1.00 0.00 H new ATOM 0 HA GLU A 58 9.501 3.437 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.384 0.989 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.171 0.576 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.008 2.268 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.283 2.172 5.610 1.00 0.00 H new ATOM 928 N SER A 59 10.621 4.222 2.018 1.00 0.00 N ATOM 929 CA SER A 59 11.370 4.697 0.860 1.00 0.00 C ATOM 930 C SER A 59 12.639 3.875 0.660 1.00 0.00 C ATOM 931 O SER A 59 13.241 3.397 1.621 1.00 0.00 O ATOM 932 CB SER A 59 11.727 6.175 1.029 1.00 0.00 C ATOM 933 OG SER A 59 12.396 6.401 2.258 1.00 0.00 O ATOM 0 H SER A 59 10.434 4.937 2.721 1.00 0.00 H new ATOM 0 HA SER A 59 10.740 4.581 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.360 6.496 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.820 6.778 0.989 1.00 0.00 H new ATOM 0 HG SER A 59 12.200 7.307 2.575 1.00 0.00 H new ATOM 939 N SER A 60 13.040 3.714 -0.597 1.00 0.00 N ATOM 940 CA SER A 60 14.235 2.947 -0.926 1.00 0.00 C ATOM 941 C SER A 60 15.489 3.802 -0.772 1.00 0.00 C ATOM 942 O SER A 60 16.584 3.396 -1.163 1.00 0.00 O ATOM 943 CB SER A 60 14.144 2.408 -2.355 1.00 0.00 C ATOM 944 OG SER A 60 13.434 3.303 -3.193 1.00 0.00 O ATOM 0 H SER A 60 12.554 4.105 -1.404 1.00 0.00 H new ATOM 0 HA SER A 60 14.300 2.109 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.147 2.251 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.647 1.438 -2.350 1.00 0.00 H new ATOM 0 HG SER A 60 13.391 2.937 -4.101 1.00 0.00 H new ATOM 950 N LYS A 61 15.321 4.989 -0.200 1.00 0.00 N ATOM 951 CA LYS A 61 16.438 5.903 0.009 1.00 0.00 C ATOM 952 C LYS A 61 16.728 6.078 1.496 1.00 0.00 C ATOM 953 O LYS A 61 17.854 6.382 1.887 1.00 0.00 O ATOM 954 CB LYS A 61 16.136 7.262 -0.627 1.00 0.00 C ATOM 955 CG LYS A 61 14.941 7.969 -0.012 1.00 0.00 C ATOM 956 CD LYS A 61 14.942 9.453 -0.338 1.00 0.00 C ATOM 957 CE LYS A 61 13.649 10.122 0.103 1.00 0.00 C ATOM 958 NZ LYS A 61 13.630 11.571 -0.238 1.00 0.00 N ATOM 0 H LYS A 61 14.421 5.341 0.127 1.00 0.00 H new ATOM 0 HA LYS A 61 17.320 5.474 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.014 7.901 -0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.956 7.123 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.020 7.516 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.954 7.833 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.788 9.934 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.077 9.591 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.803 9.626 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.526 10.001 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.733 11.990 0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.422 12.050 0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.722 11.687 -1.267 1.00 0.00 H new ATOM 972 N MET A 62 15.704 5.883 2.321 1.00 0.00 N ATOM 973 CA MET A 62 15.850 6.017 3.765 1.00 0.00 C ATOM 974 C MET A 62 15.424 4.736 4.476 1.00 0.00 C ATOM 975 O MET A 62 14.281 4.589 4.909 1.00 0.00 O ATOM 976 CB MET A 62 15.021 7.197 4.276 1.00 0.00 C ATOM 977 CG MET A 62 15.784 8.512 4.297 1.00 0.00 C ATOM 978 SD MET A 62 17.300 8.419 5.269 1.00 0.00 S ATOM 979 CE MET A 62 17.274 10.011 6.090 1.00 0.00 C ATOM 0 H MET A 62 14.764 5.632 2.014 1.00 0.00 H new ATOM 0 HA MET A 62 16.902 6.200 3.983 1.00 0.00 H new ATOM 0 HB2 MET A 62 14.138 7.309 3.647 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.669 6.974 5.283 1.00 0.00 H new ATOM 0 HG2 MET A 62 16.029 8.802 3.275 1.00 0.00 H new ATOM 0 HG3 MET A 62 15.143 9.293 4.705 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.151 10.105 6.730 1.00 0.00 H new ATOM 0 HE2 MET A 62 17.283 10.805 5.344 1.00 0.00 H new ATOM 0 HE3 MET A 62 16.372 10.093 6.696 1.00 0.00 H new ATOM 989 N PRO A 63 16.364 3.787 4.600 1.00 0.00 N ATOM 990 CA PRO A 63 16.108 2.502 5.258 1.00 0.00 C ATOM 991 C PRO A 63 15.920 2.649 6.763 1.00 0.00 C ATOM 992 O PRO A 63 16.739 3.265 7.444 1.00 0.00 O ATOM 993 CB PRO A 63 17.370 1.691 4.953 1.00 0.00 C ATOM 994 CG PRO A 63 18.433 2.712 4.733 1.00 0.00 C ATOM 995 CD PRO A 63 17.747 3.895 4.107 1.00 0.00 C ATOM 0 HA PRO A 63 15.189 2.037 4.902 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.624 1.027 5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.234 1.064 4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.909 2.989 5.674 1.00 0.00 H new ATOM 0 HG3 PRO A 63 19.217 2.325 4.081 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.209 4.834 4.410 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.790 3.855 3.019 1.00 0.00 H new ATOM 1003 N GLY A 64 14.834 2.079 7.278 1.00 0.00 N ATOM 1004 CA GLY A 64 14.558 2.159 8.700 1.00 0.00 C ATOM 1005 C GLY A 64 13.577 3.263 9.040 1.00 0.00 C ATOM 1006 O GLY A 64 13.121 3.370 10.179 1.00 0.00 O ATOM 0 H GLY A 64 14.141 1.564 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.159 1.205 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.490 2.327 9.239 1.00 0.00 H new ATOM 1010 N ARG A 65 13.252 4.089 8.050 1.00 0.00 N ATOM 1011 CA ARG A 65 12.321 5.193 8.251 1.00 0.00 C ATOM 1012 C ARG A 65 11.047 4.984 7.438 1.00 0.00 C ATOM 1013 O ARG A 65 11.077 4.987 6.208 1.00 0.00 O ATOM 1014 CB ARG A 65 12.977 6.518 7.859 1.00 0.00 C ATOM 1015 CG ARG A 65 12.437 7.715 8.626 1.00 0.00 C ATOM 1016 CD ARG A 65 12.659 9.011 7.863 1.00 0.00 C ATOM 1017 NE ARG A 65 12.434 10.185 8.702 1.00 0.00 N ATOM 1018 CZ ARG A 65 12.459 11.432 8.244 1.00 0.00 C ATOM 1019 NH1 ARG A 65 12.698 11.665 6.961 1.00 0.00 N ATOM 1020 NH2 ARG A 65 12.244 12.448 9.070 1.00 0.00 N ATOM 0 H ARG A 65 13.620 4.014 7.101 1.00 0.00 H new ATOM 0 HA ARG A 65 12.056 5.225 9.308 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.052 6.445 8.026 1.00 0.00 H new ATOM 0 HB3 ARG A 65 12.830 6.685 6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.372 7.579 8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.925 7.776 9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.677 9.033 7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.989 9.045 7.004 1.00 0.00 H new ATOM 0 HE ARG A 65 12.247 10.040 9.694 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.863 10.886 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.717 12.623 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.059 12.272 10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.263 13.405 8.717 1.00 0.00 H new ATOM 1034 N GLU A 66 9.929 4.802 8.135 1.00 0.00 N ATOM 1035 CA GLU A 66 8.645 4.590 7.478 1.00 0.00 C ATOM 1036 C GLU A 66 7.747 5.814 7.629 1.00 0.00 C ATOM 1037 O GLU A 66 7.700 6.434 8.693 1.00 0.00 O ATOM 1038 CB GLU A 66 7.948 3.357 8.057 1.00 0.00 C ATOM 1039 CG GLU A 66 7.441 3.555 9.476 1.00 0.00 C ATOM 1040 CD GLU A 66 8.557 3.531 10.502 1.00 0.00 C ATOM 1041 OE1 GLU A 66 8.963 2.423 10.911 1.00 0.00 O ATOM 1042 OE2 GLU A 66 9.025 4.620 10.896 1.00 0.00 O ATOM 0 H GLU A 66 9.887 4.797 9.154 1.00 0.00 H new ATOM 0 HA GLU A 66 8.832 4.428 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.109 3.089 7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.642 2.517 8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.914 4.507 9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.718 2.774 9.712 1.00 0.00 H new ATOM 1049 N ILE A 67 7.038 6.157 6.559 1.00 0.00 N ATOM 1050 CA ILE A 67 6.142 7.306 6.574 1.00 0.00 C ATOM 1051 C ILE A 67 4.693 6.871 6.762 1.00 0.00 C ATOM 1052 O ILE A 67 4.182 6.041 6.011 1.00 0.00 O ATOM 1053 CB ILE A 67 6.256 8.125 5.274 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.652 8.737 5.152 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.190 9.210 5.237 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.644 7.843 4.442 1.00 0.00 C ATOM 0 H ILE A 67 7.067 5.656 5.671 1.00 0.00 H new ATOM 0 HA ILE A 67 6.443 7.930 7.415 1.00 0.00 H new ATOM 0 HB ILE A 67 6.097 7.458 4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.579 9.683 4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.029 8.964 6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.283 9.780 4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.202 8.751 5.282 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.320 9.877 6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.612 8.341 4.392 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.746 6.906 4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.290 7.636 3.432 1.00 0.00 H new ATOM 1068 N GLU A 68 4.036 7.439 7.768 1.00 0.00 N ATOM 1069 CA GLU A 68 2.644 7.110 8.054 1.00 0.00 C ATOM 1070 C GLU A 68 1.701 7.922 7.171 1.00 0.00 C ATOM 1071 O GLU A 68 1.583 9.138 7.323 1.00 0.00 O ATOM 1072 CB GLU A 68 2.329 7.368 9.529 1.00 0.00 C ATOM 1073 CG GLU A 68 3.055 6.432 10.480 1.00 0.00 C ATOM 1074 CD GLU A 68 2.265 5.172 10.776 1.00 0.00 C ATOM 1075 OE1 GLU A 68 1.989 4.409 9.827 1.00 0.00 O ATOM 1076 OE2 GLU A 68 1.921 4.950 11.956 1.00 0.00 O ATOM 0 H GLU A 68 4.445 8.129 8.398 1.00 0.00 H new ATOM 0 HA GLU A 68 2.495 6.052 7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.593 8.397 9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.255 7.269 9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.019 6.159 10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.259 6.956 11.414 1.00 0.00 H new ATOM 1083 N LEU A 69 1.032 7.240 6.248 1.00 0.00 N ATOM 1084 CA LEU A 69 0.098 7.897 5.339 1.00 0.00 C ATOM 1085 C LEU A 69 -1.180 8.299 6.068 1.00 0.00 C ATOM 1086 O LEU A 69 -2.156 7.550 6.089 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.239 6.972 4.168 1.00 0.00 C ATOM 1088 CG LEU A 69 0.941 6.234 3.535 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.449 5.074 2.683 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.784 7.189 2.703 1.00 0.00 C ATOM 0 H LEU A 69 1.118 6.233 6.109 1.00 0.00 H new ATOM 0 HA LEU A 69 0.575 8.799 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.962 6.232 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.730 7.562 3.394 1.00 0.00 H new ATOM 0 HG LEU A 69 1.565 5.833 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.302 4.560 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.111 4.377 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.197 5.453 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.619 6.646 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.171 7.620 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.167 7.986 3.340 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.166 9.488 6.664 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.325 9.990 7.392 1.00 0.00 C ATOM 1104 C GLU A 70 -3.393 10.501 6.430 1.00 0.00 C ATOM 1105 O GLU A 70 -4.577 10.535 6.761 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.908 11.108 8.350 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.140 12.232 7.676 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.786 13.353 8.633 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -1.710 14.065 9.080 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.414 13.519 8.936 1.00 0.00 O ATOM 0 H GLU A 70 -0.366 10.120 6.657 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.745 9.166 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.799 11.521 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.293 10.684 9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.226 11.831 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.736 12.634 6.857 1.00 0.00 H new ATOM 1117 N ASN A 71 -2.964 10.900 5.237 1.00 0.00 N ATOM 1118 CA ASN A 71 -3.883 11.411 4.226 1.00 0.00 C ATOM 1119 C ASN A 71 -4.380 10.286 3.324 1.00 0.00 C ATOM 1120 O ASN A 71 -3.592 9.618 2.654 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.199 12.490 3.384 1.00 0.00 C ATOM 1122 CG ASN A 71 -3.372 13.877 3.971 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -2.961 14.141 5.101 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -3.983 14.772 3.204 1.00 0.00 N ATOM 0 H ASN A 71 -1.986 10.879 4.947 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.740 11.848 4.738 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.136 12.263 3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.608 12.472 2.374 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.128 15.722 3.545 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.308 14.509 2.273 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.693 10.082 3.311 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.297 9.038 2.490 1.00 0.00 C ATOM 1133 C ASP A 72 -6.777 9.605 1.158 1.00 0.00 C ATOM 1134 O ASP A 72 -6.947 8.871 0.184 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.465 8.388 3.232 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.266 8.385 4.735 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -6.669 7.418 5.254 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -7.707 9.351 5.393 1.00 0.00 O ATOM 0 H ASP A 72 -6.359 10.626 3.859 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.538 8.282 2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.386 8.920 2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.588 7.363 2.883 1.00 0.00 H new ATOM 1143 N LEU A 73 -6.995 10.915 1.122 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.457 11.581 -0.091 1.00 0.00 C ATOM 1145 C LEU A 73 -6.309 11.774 -1.077 1.00 0.00 C ATOM 1146 O LEU A 73 -6.526 12.145 -2.230 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.081 12.935 0.254 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.364 12.890 1.085 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -9.846 14.298 1.399 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.444 12.105 0.356 1.00 0.00 C ATOM 0 H LEU A 73 -6.859 11.537 1.919 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.211 10.948 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.342 13.526 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.292 13.463 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.147 12.384 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.760 14.246 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.078 14.828 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.046 14.830 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.350 12.083 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.658 12.583 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.099 11.086 0.183 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.090 11.518 -0.615 1.00 0.00 N ATOM 1163 CA GLN A 74 -3.909 11.662 -1.458 1.00 0.00 C ATOM 1164 C GLN A 74 -3.494 10.318 -2.048 1.00 0.00 C ATOM 1165 O GLN A 74 -3.542 9.281 -1.387 1.00 0.00 O ATOM 1166 CB GLN A 74 -2.752 12.258 -0.654 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.004 13.684 -0.191 1.00 0.00 C ATOM 1168 CD GLN A 74 -2.911 14.690 -1.321 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -2.753 14.320 -2.485 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -3.009 15.970 -0.984 1.00 0.00 N ATOM 0 H GLN A 74 -4.894 11.210 0.337 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.159 12.336 -2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.564 11.630 0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.848 12.237 -1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.993 13.745 0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.281 13.944 0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.139 16.232 -0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.954 16.692 -1.702 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.076 10.334 -3.323 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.645 9.125 -4.030 1.00 0.00 C ATOM 1181 C PRO A 75 -1.321 8.585 -3.500 1.00 0.00 C ATOM 1182 O PRO A 75 -0.782 9.091 -2.515 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.489 9.597 -5.478 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.223 11.060 -5.372 1.00 0.00 C ATOM 1185 CD PRO A 75 -2.992 11.535 -4.171 1.00 0.00 C ATOM 0 HA PRO A 75 -3.355 8.307 -3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.669 9.080 -5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.390 9.399 -6.058 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.157 11.255 -5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.546 11.582 -6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.479 12.351 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.981 11.902 -4.446 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.801 7.556 -4.160 1.00 0.00 N ATOM 1194 CA LEU A 76 0.462 6.947 -3.755 1.00 0.00 C ATOM 1195 C LEU A 76 1.647 7.769 -4.252 1.00 0.00 C ATOM 1196 O LEU A 76 2.702 7.799 -3.620 1.00 0.00 O ATOM 1197 CB LEU A 76 0.557 5.518 -4.293 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.298 4.473 -3.576 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -0.064 4.532 -2.074 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.771 4.677 -3.896 1.00 0.00 C ATOM 0 H LEU A 76 -1.234 7.126 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 76 0.492 6.922 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.276 5.528 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.599 5.201 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.004 3.485 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.681 3.781 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.987 4.335 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.330 5.522 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.364 3.924 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.080 5.670 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.926 4.583 -4.971 1.00 0.00 H new ATOM 1212 N GLN A 77 1.463 8.437 -5.387 1.00 0.00 N ATOM 1213 CA GLN A 77 2.517 9.261 -5.967 1.00 0.00 C ATOM 1214 C GLN A 77 2.774 10.497 -5.112 1.00 0.00 C ATOM 1215 O GLN A 77 3.868 11.061 -5.130 1.00 0.00 O ATOM 1216 CB GLN A 77 2.141 9.679 -7.389 1.00 0.00 C ATOM 1217 CG GLN A 77 0.870 10.510 -7.464 1.00 0.00 C ATOM 1218 CD GLN A 77 0.739 11.259 -8.775 1.00 0.00 C ATOM 1219 OE1 GLN A 77 1.721 11.462 -9.489 1.00 0.00 O ATOM 1220 NE2 GLN A 77 -0.480 11.674 -9.100 1.00 0.00 N ATOM 0 H GLN A 77 0.595 8.424 -5.922 1.00 0.00 H new ATOM 0 HA GLN A 77 3.431 8.668 -6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.964 10.249 -7.821 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.017 8.785 -8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.006 9.858 -7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.858 11.223 -6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.266 11.484 -8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.630 12.183 -9.971 1.00 0.00 H new ATOM 1229 N PHE A 78 1.758 10.914 -4.363 1.00 0.00 N ATOM 1230 CA PHE A 78 1.874 12.085 -3.501 1.00 0.00 C ATOM 1231 C PHE A 78 2.936 11.868 -2.428 1.00 0.00 C ATOM 1232 O PHE A 78 3.537 12.821 -1.931 1.00 0.00 O ATOM 1233 CB PHE A 78 0.527 12.398 -2.846 1.00 0.00 C ATOM 1234 CG PHE A 78 0.521 13.685 -2.072 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.283 14.891 -2.710 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.753 13.688 -0.706 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.278 16.077 -2.001 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.749 14.871 0.009 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.510 16.067 -0.639 1.00 0.00 C ATOM 0 H PHE A 78 0.846 10.459 -4.336 1.00 0.00 H new ATOM 0 HA PHE A 78 2.175 12.931 -4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.241 12.444 -3.618 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.258 11.580 -2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.099 14.905 -3.774 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.939 12.755 -0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.093 17.011 -2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.933 14.860 1.073 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.504 16.992 -0.082 1.00 0.00 H new ATOM 1249 N TYR A 79 3.162 10.608 -2.074 1.00 0.00 N ATOM 1250 CA TYR A 79 4.150 10.264 -1.058 1.00 0.00 C ATOM 1251 C TYR A 79 5.475 9.863 -1.699 1.00 0.00 C ATOM 1252 O TYR A 79 6.324 9.244 -1.059 1.00 0.00 O ATOM 1253 CB TYR A 79 3.631 9.126 -0.178 1.00 0.00 C ATOM 1254 CG TYR A 79 2.517 9.541 0.756 1.00 0.00 C ATOM 1255 CD1 TYR A 79 2.795 10.130 1.983 1.00 0.00 C ATOM 1256 CD2 TYR A 79 1.185 9.346 0.410 1.00 0.00 C ATOM 1257 CE1 TYR A 79 1.780 10.511 2.839 1.00 0.00 C ATOM 1258 CE2 TYR A 79 0.163 9.725 1.259 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.466 10.306 2.473 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.548 10.685 3.322 1.00 0.00 O ATOM 0 H TYR A 79 2.674 9.807 -2.476 1.00 0.00 H new ATOM 0 HA TYR A 79 4.319 11.145 -0.439 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.276 8.317 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.457 8.728 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.823 10.293 2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.945 8.890 -0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.014 10.967 3.790 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.867 9.567 0.974 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.390 10.279 3.028 1.00 0.00 H new ATOM 1270 N SER A 80 5.643 10.223 -2.967 1.00 0.00 N ATOM 1271 CA SER A 80 6.863 9.899 -3.698 1.00 0.00 C ATOM 1272 C SER A 80 7.073 8.389 -3.762 1.00 0.00 C ATOM 1273 O SER A 80 8.202 7.912 -3.876 1.00 0.00 O ATOM 1274 CB SER A 80 8.071 10.565 -3.036 1.00 0.00 C ATOM 1275 OG SER A 80 9.157 10.666 -3.941 1.00 0.00 O ATOM 0 H SER A 80 4.950 10.739 -3.510 1.00 0.00 H new ATOM 0 HA SER A 80 6.760 10.278 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.794 11.558 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.374 9.989 -2.162 1.00 0.00 H new ATOM 0 HG SER A 80 9.317 9.794 -4.359 1.00 0.00 H new ATOM 1281 N VAL A 81 5.976 7.642 -3.688 1.00 0.00 N ATOM 1282 CA VAL A 81 6.038 6.186 -3.739 1.00 0.00 C ATOM 1283 C VAL A 81 6.204 5.693 -5.172 1.00 0.00 C ATOM 1284 O VAL A 81 5.382 5.987 -6.039 1.00 0.00 O ATOM 1285 CB VAL A 81 4.774 5.549 -3.132 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.827 4.034 -3.257 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.614 5.966 -1.678 1.00 0.00 C ATOM 0 H VAL A 81 5.034 8.021 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 81 6.905 5.885 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 81 3.906 5.906 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.926 3.601 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.891 3.758 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.702 3.656 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.716 5.507 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.484 5.639 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.527 7.051 -1.618 1.00 0.00 H new ATOM 1297 N GLU A 82 7.273 4.940 -5.413 1.00 0.00 N ATOM 1298 CA GLU A 82 7.546 4.406 -6.742 1.00 0.00 C ATOM 1299 C GLU A 82 7.650 2.884 -6.706 1.00 0.00 C ATOM 1300 O GLU A 82 7.751 2.283 -5.638 1.00 0.00 O ATOM 1301 CB GLU A 82 8.839 5.003 -7.300 1.00 0.00 C ATOM 1302 CG GLU A 82 8.634 6.312 -8.043 1.00 0.00 C ATOM 1303 CD GLU A 82 7.484 6.250 -9.029 1.00 0.00 C ATOM 1304 OE1 GLU A 82 7.298 5.186 -9.656 1.00 0.00 O ATOM 1305 OE2 GLU A 82 6.770 7.264 -9.173 1.00 0.00 O ATOM 0 H GLU A 82 7.963 4.686 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 82 6.716 4.681 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.538 5.166 -6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.301 4.281 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.447 7.109 -7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.550 6.571 -8.575 1.00 0.00 H new ATOM 1312 N ASN A 83 7.623 2.267 -7.883 1.00 0.00 N ATOM 1313 CA ASN A 83 7.713 0.815 -7.987 1.00 0.00 C ATOM 1314 C ASN A 83 8.958 0.295 -7.276 1.00 0.00 C ATOM 1315 O ASN A 83 10.057 0.815 -7.465 1.00 0.00 O ATOM 1316 CB ASN A 83 7.735 0.388 -9.456 1.00 0.00 C ATOM 1317 CG ASN A 83 8.431 1.403 -10.343 1.00 0.00 C ATOM 1318 OD1 ASN A 83 7.814 2.002 -11.223 1.00 0.00 O ATOM 1319 ND2 ASN A 83 9.724 1.600 -10.113 1.00 0.00 N ATOM 0 H ASN A 83 7.540 2.750 -8.778 1.00 0.00 H new ATOM 0 HA ASN A 83 6.835 0.386 -7.504 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.240 -0.574 -9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.712 0.245 -9.805 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.246 2.271 -10.677 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.195 1.081 -9.372 1.00 0.00 H new ATOM 1326 N GLY A 84 8.778 -0.737 -6.457 1.00 0.00 N ATOM 1327 CA GLY A 84 9.896 -1.312 -5.731 1.00 0.00 C ATOM 1328 C GLY A 84 9.778 -1.111 -4.233 1.00 0.00 C ATOM 1329 O GLY A 84 10.183 -1.970 -3.450 1.00 0.00 O ATOM 0 H GLY A 84 7.878 -1.185 -6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.956 -2.378 -5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.824 -0.862 -6.083 1.00 0.00 H new ATOM 1333 N ASP A 85 9.223 0.028 -3.832 1.00 0.00 N ATOM 1334 CA ASP A 85 9.053 0.340 -2.418 1.00 0.00 C ATOM 1335 C ASP A 85 8.338 -0.796 -1.693 1.00 0.00 C ATOM 1336 O ASP A 85 7.986 -1.809 -2.299 1.00 0.00 O ATOM 1337 CB ASP A 85 8.268 1.642 -2.251 1.00 0.00 C ATOM 1338 CG ASP A 85 9.078 2.861 -2.645 1.00 0.00 C ATOM 1339 OD1 ASP A 85 9.667 2.851 -3.747 1.00 0.00 O ATOM 1340 OD2 ASP A 85 9.123 3.825 -1.853 1.00 0.00 O ATOM 0 H ASP A 85 8.883 0.750 -4.467 1.00 0.00 H new ATOM 0 HA ASP A 85 10.042 0.463 -1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.364 1.598 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.950 1.741 -1.213 1.00 0.00 H new ATOM 1345 N CYS A 86 8.129 -0.622 -0.393 1.00 0.00 N ATOM 1346 CA CYS A 86 7.458 -1.634 0.416 1.00 0.00 C ATOM 1347 C CYS A 86 6.203 -1.064 1.069 1.00 0.00 C ATOM 1348 O CYS A 86 6.094 0.145 1.279 1.00 0.00 O ATOM 1349 CB CYS A 86 8.406 -2.171 1.489 1.00 0.00 C ATOM 1350 SG CYS A 86 9.559 -3.430 0.892 1.00 0.00 S ATOM 0 H CYS A 86 8.414 0.210 0.124 1.00 0.00 H new ATOM 0 HA CYS A 86 7.164 -2.452 -0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.976 -1.340 1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.815 -2.591 2.303 1.00 0.00 H new ATOM 0 HG CYS A 86 10.320 -3.820 1.871 1.00 0.00 H new ATOM 1356 N LEU A 87 5.257 -1.941 1.386 1.00 0.00 N ATOM 1357 CA LEU A 87 4.008 -1.525 2.014 1.00 0.00 C ATOM 1358 C LEU A 87 3.816 -2.219 3.358 1.00 0.00 C ATOM 1359 O LEU A 87 3.784 -3.449 3.435 1.00 0.00 O ATOM 1360 CB LEU A 87 2.825 -1.832 1.095 1.00 0.00 C ATOM 1361 CG LEU A 87 2.779 -1.056 -0.222 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.650 -1.568 -1.104 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.617 0.433 0.042 1.00 0.00 C ATOM 0 H LEU A 87 5.331 -2.944 1.219 1.00 0.00 H new ATOM 0 HA LEU A 87 4.057 -0.450 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.836 -2.898 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.904 -1.633 1.643 1.00 0.00 H new ATOM 0 HG LEU A 87 3.722 -1.212 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.633 -1.004 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.809 -2.624 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.699 -1.443 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.586 0.969 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.690 0.607 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.459 0.791 0.634 1.00 0.00 H new ATOM 1375 N LEU A 88 3.686 -1.426 4.416 1.00 0.00 N ATOM 1376 CA LEU A 88 3.494 -1.964 5.758 1.00 0.00 C ATOM 1377 C LEU A 88 2.068 -1.725 6.242 1.00 0.00 C ATOM 1378 O LEU A 88 1.631 -0.582 6.378 1.00 0.00 O ATOM 1379 CB LEU A 88 4.489 -1.328 6.730 1.00 0.00 C ATOM 1380 CG LEU A 88 5.936 -1.236 6.246 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.670 -0.116 6.966 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.653 -2.563 6.451 1.00 0.00 C ATOM 0 H LEU A 88 3.710 -0.407 4.370 1.00 0.00 H new ATOM 0 HA LEU A 88 3.669 -3.039 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.142 -0.322 6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.473 -1.898 7.659 1.00 0.00 H new ATOM 0 HG LEU A 88 5.928 -1.011 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.698 -0.066 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.170 0.832 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.668 -0.310 8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.682 -2.479 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.650 -2.818 7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.141 -3.344 5.889 1.00 0.00 H new ATOM 1394 N VAL A 89 1.347 -2.811 6.503 1.00 0.00 N ATOM 1395 CA VAL A 89 -0.029 -2.719 6.976 1.00 0.00 C ATOM 1396 C VAL A 89 -0.117 -3.011 8.470 1.00 0.00 C ATOM 1397 O VAL A 89 0.022 -4.157 8.899 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.949 -3.695 6.219 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.357 -3.656 6.792 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.960 -3.371 4.732 1.00 0.00 C ATOM 0 H VAL A 89 1.693 -3.764 6.395 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.361 -1.698 6.788 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.560 -4.705 6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.992 -4.352 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.330 -3.940 7.844 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.760 -2.647 6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.615 -4.070 4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.324 -2.354 4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.051 -3.456 4.334 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.351 -1.967 9.258 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.457 -2.111 10.705 1.00 0.00 C ATOM 1412 C ARG A 90 -1.586 -1.245 11.256 1.00 0.00 C ATOM 1413 O ARG A 90 -1.815 -0.131 10.784 1.00 0.00 O ATOM 1414 CB ARG A 90 0.864 -1.731 11.376 1.00 0.00 C ATOM 1415 CG ARG A 90 1.379 -0.358 10.973 1.00 0.00 C ATOM 1416 CD ARG A 90 2.757 -0.087 11.556 1.00 0.00 C ATOM 1417 NE ARG A 90 3.138 1.317 11.430 1.00 0.00 N ATOM 1418 CZ ARG A 90 4.190 1.851 12.040 1.00 0.00 C ATOM 1419 NH1 ARG A 90 4.963 1.101 12.814 1.00 0.00 N ATOM 1420 NH2 ARG A 90 4.472 3.137 11.876 1.00 0.00 N ATOM 0 H ARG A 90 -0.471 -1.012 8.919 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.681 -3.155 10.925 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.733 -1.758 12.458 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.617 -2.479 11.128 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.423 -0.289 9.886 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.682 0.408 11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.768 -0.373 12.608 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.494 -0.710 11.049 1.00 0.00 H new ATOM 0 HE ARG A 90 2.565 1.921 10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.750 0.112 12.942 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.770 1.514 13.281 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.881 3.717 11.281 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.280 3.546 12.345 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.289 -1.764 12.256 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.395 -1.039 12.871 1.00 0.00 C ATOM 1436 C TRP A 91 -3.259 -1.023 14.389 1.00 0.00 C ATOM 1437 O TRP A 91 -2.573 -1.865 14.969 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.730 -1.671 12.473 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.858 -3.104 12.892 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.528 -3.582 13.982 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.299 -4.244 12.230 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -5.419 -4.950 14.038 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.671 -5.381 12.974 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.523 -4.415 11.081 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -4.291 -6.668 12.604 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.147 -5.693 10.716 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.532 -6.806 11.474 1.00 0.00 C ATOM 0 H TRP A 91 -2.113 -2.685 12.658 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.366 -0.010 12.512 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.543 -1.096 12.917 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.847 -1.605 11.391 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -6.065 -2.974 14.695 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.829 -5.548 14.755 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.222 -3.563 10.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.585 -7.527 13.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.546 -5.837 9.831 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.224 -7.792 11.160 1.00 0.00 H new