USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 786 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 78 ASN : amide:sc= -0.293 K(o=-2.5,f=-0.33) USER MOD Set 1.2: A 80 GLN : amide:sc= -2.16! K(o=-2.5!,f=-0.33) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 161:sc=-0.00367 (180deg=-0.13) USER MOD Single : A 12 THR OG1 : rot -160:sc= -1.32 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 146:sc= -0.645 (180deg=-2.06!) USER MOD Single : A 28 ASN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 38 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.7) USER MOD Single : A 40 GLN : amide:sc= -5.91! C(o=-5.9!,f=-5!) USER MOD Single : A 52 THR OG1 : rot -20:sc= 0.224 USER MOD Single : A 69 TYR OH : rot 169:sc= 0.0273 USER MOD Single : A 83 MET CE :methyl -161:sc= 0 (180deg=-0.0743) USER MOD Single : A 89 LYS NZ :NH3+ 154:sc= 0.249 (180deg=0.0757) USER MOD Single : A 93 SER OG : rot 55:sc= 1.14 USER MOD Single : A 94 HIS : no HD1:sc= -14.9! C(o=-15!,f=-16!) USER MOD Single : A 102 HIS : no HD1:sc= -5.29! C(o=-5.3!,f=-4.2!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LYS A 6 186.574 -9.023 1.044 1.00 0.00 N ATOM 81 CA LYS A 6 186.614 -7.790 0.267 1.00 0.00 C ATOM 82 C LYS A 6 185.310 -7.011 0.410 1.00 0.00 C ATOM 83 O LYS A 6 184.349 -7.494 1.009 1.00 0.00 O ATOM 84 CB LYS A 6 186.876 -8.102 -1.208 1.00 0.00 C ATOM 85 CG LYS A 6 185.763 -8.901 -1.867 1.00 0.00 C ATOM 86 CD LYS A 6 186.302 -10.129 -2.587 1.00 0.00 C ATOM 87 CE LYS A 6 186.337 -9.923 -4.092 1.00 0.00 C ATOM 88 NZ LYS A 6 187.581 -9.232 -4.530 1.00 0.00 N ATOM 0 HA LYS A 6 187.426 -7.174 0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 6 187.011 -7.166 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 6 187.810 -8.657 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 6 185.040 -9.210 -1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 6 185.231 -8.267 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 6 187.306 -10.352 -2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 6 185.680 -10.992 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 6 186.263 -10.889 -4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 6 185.470 -9.338 -4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 187.566 -9.111 -5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 187.640 -8.300 -4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 188.408 -9.802 -4.261 1.00 0.00 H new ATOM 102 N LYS A 7 185.283 -5.804 -0.147 1.00 0.00 N ATOM 103 CA LYS A 7 184.096 -4.959 -0.084 1.00 0.00 C ATOM 104 C LYS A 7 183.484 -4.777 -1.469 1.00 0.00 C ATOM 105 O LYS A 7 184.169 -4.390 -2.417 1.00 0.00 O ATOM 106 CB LYS A 7 184.447 -3.595 0.516 1.00 0.00 C ATOM 107 CG LYS A 7 184.430 -3.578 2.037 1.00 0.00 C ATOM 108 CD LYS A 7 183.681 -2.368 2.573 1.00 0.00 C ATOM 109 CE LYS A 7 184.334 -1.820 3.832 1.00 0.00 C ATOM 110 NZ LYS A 7 185.638 -1.160 3.541 1.00 0.00 N ATOM 0 H LYS A 7 186.070 -5.390 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 7 183.363 -5.451 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 7 185.436 -3.298 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 7 183.742 -2.851 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 7 183.962 -4.490 2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 7 185.453 -3.570 2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 7 183.651 -1.590 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 7 182.649 -2.644 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 7 183.663 -1.104 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 7 184.489 -2.631 4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 185.894 -0.533 4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 186.375 -1.884 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 185.557 -0.601 2.668 1.00 0.00 H new ATOM 124 N LEU A 8 182.192 -5.063 -1.579 1.00 0.00 N ATOM 125 CA LEU A 8 181.482 -4.939 -2.846 1.00 0.00 C ATOM 126 C LEU A 8 181.484 -3.485 -3.333 1.00 0.00 C ATOM 127 O LEU A 8 181.403 -2.549 -2.538 1.00 0.00 O ATOM 128 CB LEU A 8 180.060 -5.530 -2.707 1.00 0.00 C ATOM 129 CG LEU A 8 178.879 -4.556 -2.610 1.00 0.00 C ATOM 130 CD1 LEU A 8 179.145 -3.457 -1.593 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.552 -3.977 -3.976 1.00 0.00 C ATOM 0 H LEU A 8 181.613 -5.384 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 8 181.998 -5.515 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.885 -6.182 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 8 180.046 -6.160 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 8 178.010 -5.114 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 8 178.288 -2.785 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 8 179.307 -3.901 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 8 180.032 -2.895 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 8 177.712 -3.288 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 8 179.420 -3.443 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 8 178.289 -4.784 -4.660 1.00 0.00 H new ATOM 143 N ASP A 9 181.610 -3.310 -4.647 1.00 0.00 N ATOM 144 CA ASP A 9 181.654 -1.978 -5.255 1.00 0.00 C ATOM 145 C ASP A 9 180.558 -1.067 -4.701 1.00 0.00 C ATOM 146 O ASP A 9 179.662 -1.518 -3.994 1.00 0.00 O ATOM 147 CB ASP A 9 181.523 -2.090 -6.776 1.00 0.00 C ATOM 148 CG ASP A 9 182.656 -1.395 -7.507 1.00 0.00 C ATOM 149 OD1 ASP A 9 183.772 -1.334 -6.951 1.00 0.00 O ATOM 150 OD2 ASP A 9 182.425 -0.913 -8.636 1.00 0.00 O ATOM 0 H ASP A 9 181.684 -4.077 -5.315 1.00 0.00 H new ATOM 0 HA ASP A 9 182.616 -1.531 -5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.503 -3.142 -7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 9 180.573 -1.657 -7.089 1.00 0.00 H new ATOM 155 N PRO A 10 180.621 0.238 -5.015 1.00 0.00 N ATOM 156 CA PRO A 10 179.640 1.216 -4.549 1.00 0.00 C ATOM 157 C PRO A 10 178.366 1.204 -5.390 1.00 0.00 C ATOM 158 O PRO A 10 177.271 0.960 -4.879 1.00 0.00 O ATOM 159 CB PRO A 10 180.366 2.565 -4.700 1.00 0.00 C ATOM 160 CG PRO A 10 181.727 2.253 -5.249 1.00 0.00 C ATOM 161 CD PRO A 10 181.650 0.874 -5.838 1.00 0.00 C ATOM 0 HA PRO A 10 179.315 1.006 -3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.819 3.228 -5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 10 180.442 3.075 -3.740 1.00 0.00 H new ATOM 0 HG2 PRO A 10 182.015 2.982 -6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 10 182.481 2.296 -4.463 1.00 0.00 H new ATOM 0 HD2 PRO A 10 181.371 0.897 -6.891 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.604 0.350 -5.772 1.00 0.00 H new ATOM 169 N ASP A 11 178.520 1.468 -6.684 1.00 0.00 N ATOM 170 CA ASP A 11 177.387 1.489 -7.602 1.00 0.00 C ATOM 171 C ASP A 11 176.778 0.099 -7.751 1.00 0.00 C ATOM 172 O ASP A 11 175.585 -0.040 -8.019 1.00 0.00 O ATOM 173 CB ASP A 11 177.823 2.017 -8.969 1.00 0.00 C ATOM 174 CG ASP A 11 176.719 2.783 -9.673 1.00 0.00 C ATOM 175 OD1 ASP A 11 176.094 3.650 -9.027 1.00 0.00 O ATOM 176 OD2 ASP A 11 176.480 2.515 -10.869 1.00 0.00 O ATOM 0 H ASP A 11 179.419 1.670 -7.120 1.00 0.00 H new ATOM 0 HA ASP A 11 176.629 2.153 -7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 11 178.690 2.666 -8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 11 178.138 1.182 -9.595 1.00 0.00 H new ATOM 181 N THR A 12 177.605 -0.927 -7.577 1.00 0.00 N ATOM 182 CA THR A 12 177.144 -2.306 -7.694 1.00 0.00 C ATOM 183 C THR A 12 175.998 -2.580 -6.725 1.00 0.00 C ATOM 184 O THR A 12 174.905 -2.975 -7.137 1.00 0.00 O ATOM 185 CB THR A 12 178.297 -3.277 -7.430 1.00 0.00 C ATOM 186 OG1 THR A 12 179.354 -3.059 -8.348 1.00 0.00 O ATOM 187 CG2 THR A 12 177.891 -4.732 -7.534 1.00 0.00 C ATOM 0 H THR A 12 178.596 -0.830 -7.355 1.00 0.00 H new ATOM 0 HA THR A 12 176.780 -2.456 -8.710 1.00 0.00 H new ATOM 0 HB THR A 12 178.614 -3.078 -6.406 1.00 0.00 H new ATOM 0 HG1 THR A 12 179.924 -3.855 -8.386 1.00 0.00 H new ATOM 0 HG21 THR A 12 178.755 -5.366 -7.336 1.00 0.00 H new ATOM 0 HG22 THR A 12 177.110 -4.945 -6.804 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.515 -4.934 -8.537 1.00 0.00 H new ATOM 195 N ALA A 13 176.248 -2.363 -5.438 1.00 0.00 N ATOM 196 CA ALA A 13 175.232 -2.584 -4.418 1.00 0.00 C ATOM 197 C ALA A 13 174.034 -1.668 -4.639 1.00 0.00 C ATOM 198 O ALA A 13 172.893 -2.128 -4.690 1.00 0.00 O ATOM 199 CB ALA A 13 175.820 -2.369 -3.031 1.00 0.00 C ATOM 0 H ALA A 13 177.144 -2.035 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 13 174.888 -3.616 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.049 -2.538 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 13 176.641 -3.068 -2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.191 -1.348 -2.947 1.00 0.00 H new ATOM 205 N ILE A 14 174.300 -0.368 -4.772 1.00 0.00 N ATOM 206 CA ILE A 14 173.240 0.614 -4.991 1.00 0.00 C ATOM 207 C ILE A 14 172.249 0.124 -6.046 1.00 0.00 C ATOM 208 O ILE A 14 171.045 0.353 -5.937 1.00 0.00 O ATOM 209 CB ILE A 14 173.823 1.976 -5.428 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.623 2.599 -4.282 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.715 2.917 -5.881 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.194 3.962 -4.608 1.00 0.00 C ATOM 0 H ILE A 14 175.239 0.028 -4.732 1.00 0.00 H new ATOM 0 HA ILE A 14 172.717 0.742 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 14 174.492 1.811 -6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.980 2.685 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 14 175.439 1.928 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 14 173.148 3.870 -6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 14 172.184 2.475 -6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 14 172.018 3.081 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.748 4.340 -3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.864 3.881 -5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.382 4.649 -4.847 1.00 0.00 H new ATOM 224 N ASP A 15 172.768 -0.557 -7.061 1.00 0.00 N ATOM 225 CA ASP A 15 171.933 -1.089 -8.130 1.00 0.00 C ATOM 226 C ASP A 15 171.079 -2.244 -7.618 1.00 0.00 C ATOM 227 O ASP A 15 169.904 -2.366 -7.970 1.00 0.00 O ATOM 228 CB ASP A 15 172.801 -1.557 -9.300 1.00 0.00 C ATOM 229 CG ASP A 15 172.960 -0.490 -10.365 1.00 0.00 C ATOM 230 OD1 ASP A 15 172.106 -0.427 -11.274 1.00 0.00 O ATOM 231 OD2 ASP A 15 173.939 0.282 -10.290 1.00 0.00 O ATOM 0 H ASP A 15 173.763 -0.754 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 15 171.272 -0.294 -8.477 1.00 0.00 H new ATOM 0 HB2 ASP A 15 173.784 -1.844 -8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 15 172.357 -2.447 -9.745 1.00 0.00 H new ATOM 236 N ILE A 16 171.674 -3.085 -6.775 1.00 0.00 N ATOM 237 CA ILE A 16 170.961 -4.223 -6.209 1.00 0.00 C ATOM 238 C ILE A 16 169.777 -3.757 -5.369 1.00 0.00 C ATOM 239 O ILE A 16 168.624 -4.033 -5.700 1.00 0.00 O ATOM 240 CB ILE A 16 171.888 -5.096 -5.337 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.139 -5.500 -6.116 1.00 0.00 C ATOM 242 CG2 ILE A 16 171.155 -6.332 -4.850 1.00 0.00 C ATOM 243 CD1 ILE A 16 172.844 -6.109 -7.470 1.00 0.00 C ATOM 0 H ILE A 16 172.644 -2.999 -6.471 1.00 0.00 H new ATOM 0 HA ILE A 16 170.601 -4.822 -7.045 1.00 0.00 H new ATOM 0 HB ILE A 16 172.192 -4.507 -4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 16 173.770 -4.622 -6.252 1.00 0.00 H new ATOM 0 HG13 ILE A 16 173.710 -6.214 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 16 171.825 -6.935 -4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.291 -6.033 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 16 170.821 -6.918 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 16 173.780 -6.370 -7.963 1.00 0.00 H new ATOM 0 HD12 ILE A 16 172.239 -7.006 -7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 16 172.300 -5.389 -8.082 1.00 0.00 H new ATOM 255 N ALA A 17 170.068 -3.046 -4.282 1.00 0.00 N ATOM 256 CA ALA A 17 169.025 -2.539 -3.395 1.00 0.00 C ATOM 257 C ALA A 17 167.917 -1.853 -4.185 1.00 0.00 C ATOM 258 O ALA A 17 166.734 -2.027 -3.893 1.00 0.00 O ATOM 259 CB ALA A 17 169.616 -1.579 -2.377 1.00 0.00 C ATOM 0 H ALA A 17 171.017 -2.808 -3.995 1.00 0.00 H new ATOM 0 HA ALA A 17 168.590 -3.388 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 17 168.826 -1.210 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.367 -2.098 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.080 -0.740 -2.895 1.00 0.00 H new ATOM 265 N TYR A 18 168.306 -1.078 -5.194 1.00 0.00 N ATOM 266 CA TYR A 18 167.338 -0.377 -6.029 1.00 0.00 C ATOM 267 C TYR A 18 166.283 -1.350 -6.542 1.00 0.00 C ATOM 268 O TYR A 18 165.086 -1.150 -6.337 1.00 0.00 O ATOM 269 CB TYR A 18 168.042 0.307 -7.203 1.00 0.00 C ATOM 270 CG TYR A 18 167.151 1.253 -7.976 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.156 0.770 -8.817 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.305 2.629 -7.866 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.340 1.631 -9.525 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.493 3.497 -8.570 1.00 0.00 C ATOM 275 CZ TYR A 18 165.512 2.993 -9.398 1.00 0.00 C ATOM 276 OH TYR A 18 164.702 3.854 -10.102 1.00 0.00 O ATOM 0 H TYR A 18 169.280 -0.921 -5.452 1.00 0.00 H new ATOM 0 HA TYR A 18 166.847 0.387 -5.426 1.00 0.00 H new ATOM 0 HB2 TYR A 18 168.904 0.858 -6.827 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.423 -0.456 -7.882 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.018 -0.296 -8.919 1.00 0.00 H new ATOM 0 HD2 TYR A 18 168.073 3.027 -7.219 1.00 0.00 H new ATOM 0 HE1 TYR A 18 164.571 1.239 -10.175 1.00 0.00 H new ATOM 0 HE2 TYR A 18 166.626 4.564 -8.473 1.00 0.00 H new ATOM 0 HH TYR A 18 164.954 4.779 -9.899 1.00 0.00 H new ATOM 286 N ASP A 19 166.739 -2.417 -7.191 1.00 0.00 N ATOM 287 CA ASP A 19 165.834 -3.433 -7.711 1.00 0.00 C ATOM 288 C ASP A 19 165.049 -4.079 -6.571 1.00 0.00 C ATOM 289 O ASP A 19 163.939 -4.576 -6.768 1.00 0.00 O ATOM 290 CB ASP A 19 166.615 -4.500 -8.483 1.00 0.00 C ATOM 291 CG ASP A 19 166.433 -4.376 -9.983 1.00 0.00 C ATOM 292 OD1 ASP A 19 166.188 -3.248 -10.460 1.00 0.00 O ATOM 293 OD2 ASP A 19 166.536 -5.407 -10.680 1.00 0.00 O ATOM 0 H ASP A 19 167.727 -2.599 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 19 165.132 -2.953 -8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 19 167.674 -4.418 -8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 19 166.290 -5.489 -8.161 1.00 0.00 H new ATOM 298 N ILE A 20 165.629 -4.053 -5.373 1.00 0.00 N ATOM 299 CA ILE A 20 164.984 -4.621 -4.197 1.00 0.00 C ATOM 300 C ILE A 20 163.876 -3.704 -3.691 1.00 0.00 C ATOM 301 O ILE A 20 162.945 -4.154 -3.026 1.00 0.00 O ATOM 302 CB ILE A 20 165.997 -4.867 -3.056 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.113 -5.806 -3.522 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.297 -5.442 -1.832 1.00 0.00 C ATOM 305 CD1 ILE A 20 168.306 -5.836 -2.590 1.00 0.00 C ATOM 0 H ILE A 20 166.546 -3.643 -5.194 1.00 0.00 H new ATOM 0 HA ILE A 20 164.557 -5.577 -4.499 1.00 0.00 H new ATOM 0 HB ILE A 20 166.441 -3.910 -2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 20 166.712 -6.815 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.445 -5.499 -4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 20 166.027 -5.608 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.538 -4.741 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 20 164.824 -6.389 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 20 169.057 -6.522 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 20 168.733 -4.836 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 20 167.988 -6.172 -1.603 1.00 0.00 H new ATOM 317 N PHE A 21 163.974 -2.419 -4.016 1.00 0.00 N ATOM 318 CA PHE A 21 162.972 -1.448 -3.598 1.00 0.00 C ATOM 319 C PHE A 21 161.751 -1.512 -4.507 1.00 0.00 C ATOM 320 O PHE A 21 160.626 -1.276 -4.073 1.00 0.00 O ATOM 321 CB PHE A 21 163.567 -0.039 -3.621 1.00 0.00 C ATOM 322 CG PHE A 21 162.631 1.026 -3.123 1.00 0.00 C ATOM 323 CD1 PHE A 21 162.037 0.919 -1.876 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.353 2.139 -3.900 1.00 0.00 C ATOM 325 CE1 PHE A 21 161.182 1.902 -1.414 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.500 3.125 -3.442 1.00 0.00 C ATOM 327 CZ PHE A 21 160.913 3.006 -2.198 1.00 0.00 C ATOM 0 H PHE A 21 164.737 -2.027 -4.567 1.00 0.00 H new ATOM 0 HA PHE A 21 162.660 -1.688 -2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.471 -0.027 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 21 163.866 0.202 -4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 21 162.244 0.058 -1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 21 162.808 2.237 -4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 21 160.725 1.806 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.293 3.988 -4.057 1.00 0.00 H new ATOM 0 HZ PHE A 21 160.245 3.775 -1.839 1.00 0.00 H new ATOM 337 N LEU A 22 161.986 -1.831 -5.775 1.00 0.00 N ATOM 338 CA LEU A 22 160.908 -1.925 -6.751 1.00 0.00 C ATOM 339 C LEU A 22 160.175 -3.262 -6.642 1.00 0.00 C ATOM 340 O LEU A 22 159.047 -3.398 -7.117 1.00 0.00 O ATOM 341 CB LEU A 22 161.460 -1.749 -8.168 1.00 0.00 C ATOM 342 CG LEU A 22 161.745 -0.306 -8.585 1.00 0.00 C ATOM 343 CD1 LEU A 22 160.446 0.428 -8.860 1.00 0.00 C ATOM 344 CD2 LEU A 22 162.555 0.416 -7.517 1.00 0.00 C ATOM 0 H LEU A 22 162.914 -2.029 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 22 160.196 -1.127 -6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 22 162.382 -2.323 -8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 22 160.749 -2.180 -8.873 1.00 0.00 H new ATOM 0 HG LEU A 22 162.335 -0.322 -9.501 1.00 0.00 H new ATOM 0 HD11 LEU A 22 160.664 1.454 -9.156 1.00 0.00 H new ATOM 0 HD12 LEU A 22 159.907 -0.075 -9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 22 159.833 0.432 -7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 22 162.746 1.441 -7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 22 161.997 0.425 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.503 -0.100 -7.369 1.00 0.00 H new ATOM 356 N GLU A 23 160.820 -4.251 -6.026 1.00 0.00 N ATOM 357 CA GLU A 23 160.218 -5.572 -5.876 1.00 0.00 C ATOM 358 C GLU A 23 159.684 -5.798 -4.462 1.00 0.00 C ATOM 359 O GLU A 23 158.609 -6.371 -4.283 1.00 0.00 O ATOM 360 CB GLU A 23 161.239 -6.657 -6.228 1.00 0.00 C ATOM 361 CG GLU A 23 162.347 -6.812 -5.200 1.00 0.00 C ATOM 362 CD GLU A 23 163.569 -7.513 -5.760 1.00 0.00 C ATOM 363 OE1 GLU A 23 164.059 -7.088 -6.828 1.00 0.00 O ATOM 364 OE2 GLU A 23 164.036 -8.487 -5.133 1.00 0.00 O ATOM 0 H GLU A 23 161.754 -4.163 -5.625 1.00 0.00 H new ATOM 0 HA GLU A 23 159.373 -5.628 -6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 23 160.720 -7.610 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 23 161.684 -6.424 -7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 23 162.635 -5.828 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 23 161.969 -7.375 -4.346 1.00 0.00 H new ATOM 371 N MET A 24 160.439 -5.358 -3.459 1.00 0.00 N ATOM 372 CA MET A 24 160.032 -5.532 -2.067 1.00 0.00 C ATOM 373 C MET A 24 158.980 -4.506 -1.658 1.00 0.00 C ATOM 374 O MET A 24 157.988 -4.847 -1.014 1.00 0.00 O ATOM 375 CB MET A 24 161.240 -5.430 -1.136 1.00 0.00 C ATOM 376 CG MET A 24 162.270 -6.526 -1.352 1.00 0.00 C ATOM 377 SD MET A 24 163.250 -6.861 0.125 1.00 0.00 S ATOM 378 CE MET A 24 161.960 -7.187 1.324 1.00 0.00 C ATOM 0 H MET A 24 161.332 -4.881 -3.583 1.00 0.00 H new ATOM 0 HA MET A 24 159.593 -6.526 -1.979 1.00 0.00 H new ATOM 0 HB2 MET A 24 161.718 -4.461 -1.280 1.00 0.00 H new ATOM 0 HB3 MET A 24 160.895 -5.466 -0.102 1.00 0.00 H new ATOM 0 HG2 MET A 24 161.763 -7.440 -1.661 1.00 0.00 H new ATOM 0 HG3 MET A 24 162.935 -6.239 -2.167 1.00 0.00 H new ATOM 0 HE1 MET A 24 162.303 -7.942 2.031 1.00 0.00 H new ATOM 0 HE2 MET A 24 161.722 -6.269 1.861 1.00 0.00 H new ATOM 0 HE3 MET A 24 161.069 -7.549 0.811 1.00 0.00 H new ATOM 388 N ALA A 25 159.201 -3.249 -2.026 1.00 0.00 N ATOM 389 CA ALA A 25 158.265 -2.182 -1.683 1.00 0.00 C ATOM 390 C ALA A 25 156.889 -2.433 -2.293 1.00 0.00 C ATOM 391 O ALA A 25 156.751 -3.192 -3.251 1.00 0.00 O ATOM 392 CB ALA A 25 158.805 -0.835 -2.138 1.00 0.00 C ATOM 0 H ALA A 25 160.015 -2.944 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 25 158.155 -2.171 -0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 25 158.095 -0.051 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.759 -0.641 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 25 158.948 -0.847 -3.218 1.00 0.00 H new ATOM 398 N GLY A 26 155.873 -1.785 -1.728 1.00 0.00 N ATOM 399 CA GLY A 26 154.519 -1.946 -2.227 1.00 0.00 C ATOM 400 C GLY A 26 153.748 -3.018 -1.482 1.00 0.00 C ATOM 401 O GLY A 26 153.004 -3.789 -2.088 1.00 0.00 O ATOM 0 H GLY A 26 155.964 -1.152 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 26 153.989 -0.997 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.554 -2.198 -3.287 1.00 0.00 H new ATOM 405 N GLU A 27 153.928 -3.070 -0.165 1.00 0.00 N ATOM 406 CA GLU A 27 153.242 -4.065 0.661 1.00 0.00 C ATOM 407 C GLU A 27 153.633 -3.962 2.139 1.00 0.00 C ATOM 408 O GLU A 27 152.894 -4.421 3.010 1.00 0.00 O ATOM 409 CB GLU A 27 153.543 -5.475 0.149 1.00 0.00 C ATOM 410 CG GLU A 27 155.026 -5.748 -0.046 1.00 0.00 C ATOM 411 CD GLU A 27 155.303 -7.170 -0.491 1.00 0.00 C ATOM 412 OE1 GLU A 27 154.625 -7.643 -1.427 1.00 0.00 O ATOM 413 OE2 GLU A 27 156.199 -7.812 0.097 1.00 0.00 O ATOM 0 H GLU A 27 154.539 -2.439 0.353 1.00 0.00 H new ATOM 0 HA GLU A 27 152.174 -3.862 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 27 153.138 -6.202 0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 27 153.027 -5.626 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 27 155.425 -5.055 -0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 27 155.553 -5.554 0.888 1.00 0.00 H new ATOM 420 N ASN A 28 154.788 -3.363 2.423 1.00 0.00 N ATOM 421 CA ASN A 28 155.248 -3.216 3.800 1.00 0.00 C ATOM 422 C ASN A 28 155.199 -1.756 4.242 1.00 0.00 C ATOM 423 O ASN A 28 154.764 -1.448 5.352 1.00 0.00 O ATOM 424 CB ASN A 28 156.670 -3.759 3.946 1.00 0.00 C ATOM 425 CG ASN A 28 156.695 -5.174 4.490 1.00 0.00 C ATOM 426 OD1 ASN A 28 156.850 -5.387 5.692 1.00 0.00 O ATOM 427 ND2 ASN A 28 156.541 -6.152 3.604 1.00 0.00 N ATOM 0 H ASN A 28 155.418 -2.974 1.722 1.00 0.00 H new ATOM 0 HA ASN A 28 154.579 -3.791 4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.166 -3.737 2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.239 -3.107 4.609 1.00 0.00 H new ATOM 0 HD21 ASN A 28 156.548 -7.125 3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 28 156.415 -5.930 2.616 1.00 0.00 H new ATOM 434 N LEU A 29 155.651 -0.860 3.369 1.00 0.00 N ATOM 435 CA LEU A 29 155.660 0.567 3.675 1.00 0.00 C ATOM 436 C LEU A 29 154.259 1.158 3.569 1.00 0.00 C ATOM 437 O LEU A 29 153.422 0.670 2.809 1.00 0.00 O ATOM 438 CB LEU A 29 156.606 1.307 2.728 1.00 0.00 C ATOM 439 CG LEU A 29 157.227 2.585 3.297 1.00 0.00 C ATOM 440 CD1 LEU A 29 158.446 2.989 2.484 1.00 0.00 C ATOM 441 CD2 LEU A 29 156.206 3.713 3.331 1.00 0.00 C ATOM 0 H LEU A 29 156.015 -1.096 2.446 1.00 0.00 H new ATOM 0 HA LEU A 29 156.010 0.688 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.409 0.629 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 29 156.060 1.560 1.819 1.00 0.00 H new ATOM 0 HG LEU A 29 157.545 2.386 4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 29 158.876 3.899 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 29 159.186 2.190 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 29 158.151 3.168 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 29 156.670 4.611 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.853 3.914 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 29 155.364 3.422 3.959 1.00 0.00 H new ATOM 453 N ASP A 30 154.011 2.213 4.339 1.00 0.00 N ATOM 454 CA ASP A 30 152.712 2.879 4.341 1.00 0.00 C ATOM 455 C ASP A 30 152.229 3.164 2.917 1.00 0.00 C ATOM 456 O ASP A 30 153.032 3.273 1.990 1.00 0.00 O ATOM 457 CB ASP A 30 152.788 4.183 5.138 1.00 0.00 C ATOM 458 CG ASP A 30 151.622 4.346 6.093 1.00 0.00 C ATOM 459 OD1 ASP A 30 151.315 3.380 6.824 1.00 0.00 O ATOM 460 OD2 ASP A 30 151.017 5.438 6.111 1.00 0.00 O ATOM 0 H ASP A 30 154.695 2.627 4.972 1.00 0.00 H new ATOM 0 HA ASP A 30 151.994 2.209 4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 30 153.721 4.208 5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 30 152.810 5.027 4.448 1.00 0.00 H new ATOM 465 N PRO A 31 150.903 3.284 2.728 1.00 0.00 N ATOM 466 CA PRO A 31 150.308 3.552 1.412 1.00 0.00 C ATOM 467 C PRO A 31 150.846 4.828 0.771 1.00 0.00 C ATOM 468 O PRO A 31 150.922 4.934 -0.453 1.00 0.00 O ATOM 469 CB PRO A 31 148.813 3.701 1.714 1.00 0.00 C ATOM 470 CG PRO A 31 148.608 2.979 3.001 1.00 0.00 C ATOM 471 CD PRO A 31 149.879 3.161 3.780 1.00 0.00 C ATOM 0 HA PRO A 31 150.538 2.759 0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.530 4.750 1.800 1.00 0.00 H new ATOM 0 HB3 PRO A 31 148.204 3.271 0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 31 147.755 3.384 3.545 1.00 0.00 H new ATOM 0 HG3 PRO A 31 148.403 1.922 2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.841 4.049 4.411 1.00 0.00 H new ATOM 0 HD3 PRO A 31 150.075 2.312 4.435 1.00 0.00 H new ATOM 479 N ALA A 32 151.213 5.798 1.601 1.00 0.00 N ATOM 480 CA ALA A 32 151.738 7.069 1.109 1.00 0.00 C ATOM 481 C ALA A 32 152.854 6.853 0.091 1.00 0.00 C ATOM 482 O ALA A 32 152.763 7.306 -1.050 1.00 0.00 O ATOM 483 CB ALA A 32 152.239 7.916 2.269 1.00 0.00 C ATOM 0 H ALA A 32 151.157 5.730 2.617 1.00 0.00 H new ATOM 0 HA ALA A 32 150.926 7.596 0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 32 152.628 8.861 1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 32 151.417 8.113 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 32 153.032 7.382 2.793 1.00 0.00 H new ATOM 489 N ASP A 33 153.906 6.163 0.514 1.00 0.00 N ATOM 490 CA ASP A 33 155.043 5.893 -0.359 1.00 0.00 C ATOM 491 C ASP A 33 154.644 5.007 -1.533 1.00 0.00 C ATOM 492 O ASP A 33 155.241 5.079 -2.603 1.00 0.00 O ATOM 493 CB ASP A 33 156.174 5.229 0.426 1.00 0.00 C ATOM 494 CG ASP A 33 157.473 5.186 -0.354 1.00 0.00 C ATOM 495 OD1 ASP A 33 157.591 5.925 -1.355 1.00 0.00 O ATOM 496 OD2 ASP A 33 158.374 4.413 0.035 1.00 0.00 O ATOM 0 H ASP A 33 153.996 5.780 1.455 1.00 0.00 H new ATOM 0 HA ASP A 33 155.390 6.849 -0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 33 156.332 5.771 1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 33 155.880 4.214 0.693 1.00 0.00 H new ATOM 501 N ILE A 34 153.624 4.178 -1.337 1.00 0.00 N ATOM 502 CA ILE A 34 153.157 3.294 -2.397 1.00 0.00 C ATOM 503 C ILE A 34 152.702 4.106 -3.606 1.00 0.00 C ATOM 504 O ILE A 34 153.008 3.765 -4.747 1.00 0.00 O ATOM 505 CB ILE A 34 152.003 2.391 -1.910 1.00 0.00 C ATOM 506 CG1 ILE A 34 152.527 1.370 -0.899 1.00 0.00 C ATOM 507 CG2 ILE A 34 151.333 1.687 -3.082 1.00 0.00 C ATOM 508 CD1 ILE A 34 151.432 0.622 -0.170 1.00 0.00 C ATOM 0 H ILE A 34 153.109 4.100 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 34 153.992 2.656 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 34 151.256 3.018 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 34 153.163 0.652 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.153 1.883 -0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 34 150.524 1.057 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 34 150.930 2.430 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 34 152.065 1.070 -3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 34 151.878 -0.084 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 34 150.809 1.330 0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 34 150.819 0.081 -0.891 1.00 0.00 H new ATOM 520 N LEU A 35 151.974 5.182 -3.340 1.00 0.00 N ATOM 521 CA LEU A 35 151.475 6.053 -4.396 1.00 0.00 C ATOM 522 C LEU A 35 152.567 7.010 -4.876 1.00 0.00 C ATOM 523 O LEU A 35 152.736 7.222 -6.077 1.00 0.00 O ATOM 524 CB LEU A 35 150.262 6.843 -3.891 1.00 0.00 C ATOM 525 CG LEU A 35 149.820 8.012 -4.779 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.426 7.767 -5.335 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.863 9.319 -4.002 1.00 0.00 C ATOM 0 H LEU A 35 151.715 5.474 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 35 151.172 5.433 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.423 6.156 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.490 7.230 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 35 150.514 8.086 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 35 148.131 8.608 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 35 148.427 6.854 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.719 7.663 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.546 10.137 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 35 149.194 9.254 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.880 9.503 -3.656 1.00 0.00 H new ATOM 539 N LEU A 36 153.298 7.590 -3.929 1.00 0.00 N ATOM 540 CA LEU A 36 154.368 8.531 -4.251 1.00 0.00 C ATOM 541 C LEU A 36 155.478 7.861 -5.059 1.00 0.00 C ATOM 542 O LEU A 36 155.648 8.134 -6.247 1.00 0.00 O ATOM 543 CB LEU A 36 154.944 9.130 -2.965 1.00 0.00 C ATOM 544 CG LEU A 36 155.405 10.583 -3.076 1.00 0.00 C ATOM 545 CD1 LEU A 36 154.215 11.507 -3.284 1.00 0.00 C ATOM 546 CD2 LEU A 36 156.189 10.989 -1.837 1.00 0.00 C ATOM 0 H LEU A 36 153.169 7.425 -2.931 1.00 0.00 H new ATOM 0 HA LEU A 36 153.942 9.327 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 36 154.189 9.064 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.789 8.520 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 36 156.061 10.671 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 36 154.563 12.537 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 36 153.695 11.230 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 36 153.532 11.417 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 36 156.510 12.026 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 36 155.556 10.885 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 36 157.064 10.347 -1.733 1.00 0.00 H new ATOM 558 N PHE A 37 156.235 6.988 -4.401 1.00 0.00 N ATOM 559 CA PHE A 37 157.339 6.277 -5.044 1.00 0.00 C ATOM 560 C PHE A 37 156.910 5.661 -6.380 1.00 0.00 C ATOM 561 O PHE A 37 157.735 5.458 -7.270 1.00 0.00 O ATOM 562 CB PHE A 37 157.885 5.202 -4.091 1.00 0.00 C ATOM 563 CG PHE A 37 158.521 4.020 -4.770 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.518 4.196 -5.715 1.00 0.00 C ATOM 565 CD2 PHE A 37 158.122 2.731 -4.453 1.00 0.00 C ATOM 566 CE1 PHE A 37 160.105 3.110 -6.332 1.00 0.00 C ATOM 567 CE2 PHE A 37 158.705 1.640 -5.068 1.00 0.00 C ATOM 568 CZ PHE A 37 159.698 1.830 -6.009 1.00 0.00 C ATOM 0 H PHE A 37 156.104 6.754 -3.417 1.00 0.00 H new ATOM 0 HA PHE A 37 158.131 6.993 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 37 158.620 5.662 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 37 157.069 4.846 -3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.840 5.194 -5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 37 157.347 2.578 -3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.882 3.261 -7.067 1.00 0.00 H new ATOM 0 HE2 PHE A 37 158.385 0.640 -4.813 1.00 0.00 H new ATOM 0 HZ PHE A 37 160.156 0.979 -6.492 1.00 0.00 H new ATOM 578 N ASN A 38 155.620 5.369 -6.519 1.00 0.00 N ATOM 579 CA ASN A 38 155.107 4.780 -7.752 1.00 0.00 C ATOM 580 C ASN A 38 155.021 5.821 -8.863 1.00 0.00 C ATOM 581 O ASN A 38 155.527 5.611 -9.965 1.00 0.00 O ATOM 582 CB ASN A 38 153.729 4.160 -7.514 1.00 0.00 C ATOM 583 CG ASN A 38 153.811 2.698 -7.123 1.00 0.00 C ATOM 584 OD1 ASN A 38 154.755 2.273 -6.457 1.00 0.00 O ATOM 585 ND2 ASN A 38 152.819 1.918 -7.538 1.00 0.00 N ATOM 0 H ASN A 38 154.915 5.529 -5.799 1.00 0.00 H new ATOM 0 HA ASN A 38 155.801 4.000 -8.064 1.00 0.00 H new ATOM 0 HB2 ASN A 38 153.215 4.715 -6.729 1.00 0.00 H new ATOM 0 HB3 ASN A 38 153.129 4.258 -8.419 1.00 0.00 H new ATOM 0 HD21 ASN A 38 152.820 0.925 -7.306 1.00 0.00 H new ATOM 0 HD22 ASN A 38 152.056 2.312 -8.088 1.00 0.00 H new ATOM 592 N LEU A 39 154.369 6.939 -8.566 1.00 0.00 N ATOM 593 CA LEU A 39 154.204 8.013 -9.538 1.00 0.00 C ATOM 594 C LEU A 39 155.527 8.716 -9.819 1.00 0.00 C ATOM 595 O LEU A 39 156.108 8.564 -10.894 1.00 0.00 O ATOM 596 CB LEU A 39 153.181 9.031 -9.028 1.00 0.00 C ATOM 597 CG LEU A 39 151.717 8.565 -9.017 1.00 0.00 C ATOM 598 CD1 LEU A 39 151.611 7.047 -9.082 1.00 0.00 C ATOM 599 CD2 LEU A 39 151.012 9.091 -7.777 1.00 0.00 C ATOM 0 H LEU A 39 153.945 7.126 -7.657 1.00 0.00 H new ATOM 0 HA LEU A 39 153.848 7.569 -10.467 1.00 0.00 H new ATOM 0 HB2 LEU A 39 153.458 9.318 -8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 39 153.252 9.928 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 39 151.230 8.968 -9.905 1.00 0.00 H new ATOM 0 HD11 LEU A 39 150.561 6.755 -9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 39 152.079 6.689 -9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.117 6.610 -8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 39 149.975 8.755 -7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 39 151.514 8.715 -6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 39 151.041 10.181 -7.777 1.00 0.00 H new ATOM 611 N GLN A 40 155.991 9.498 -8.850 1.00 0.00 N ATOM 612 CA GLN A 40 157.236 10.237 -8.995 1.00 0.00 C ATOM 613 C GLN A 40 158.451 9.319 -8.807 1.00 0.00 C ATOM 614 O GLN A 40 158.484 8.219 -9.359 1.00 0.00 O ATOM 615 CB GLN A 40 157.258 11.417 -8.015 1.00 0.00 C ATOM 616 CG GLN A 40 157.136 11.010 -6.554 1.00 0.00 C ATOM 617 CD GLN A 40 156.969 12.204 -5.631 1.00 0.00 C ATOM 618 OE1 GLN A 40 155.853 12.672 -5.404 1.00 0.00 O ATOM 619 NE2 GLN A 40 158.076 12.707 -5.093 1.00 0.00 N ATOM 0 H GLN A 40 155.521 9.635 -7.955 1.00 0.00 H new ATOM 0 HA GLN A 40 157.294 10.634 -10.009 1.00 0.00 H new ATOM 0 HB2 GLN A 40 158.187 11.972 -8.151 1.00 0.00 H new ATOM 0 HB3 GLN A 40 156.442 12.096 -8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 40 156.283 10.341 -6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 40 158.024 10.449 -6.261 1.00 0.00 H new ATOM 0 HE21 GLN A 40 158.982 12.290 -5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 40 158.019 13.510 -4.467 1.00 0.00 H new ATOM 628 N PHE A 41 159.456 9.781 -8.052 1.00 0.00 N ATOM 629 CA PHE A 41 160.683 9.011 -7.814 1.00 0.00 C ATOM 630 C PHE A 41 161.707 9.275 -8.918 1.00 0.00 C ATOM 631 O PHE A 41 162.913 9.167 -8.700 1.00 0.00 O ATOM 632 CB PHE A 41 160.395 7.509 -7.714 1.00 0.00 C ATOM 633 CG PHE A 41 161.467 6.742 -6.991 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.639 6.889 -5.624 1.00 0.00 C ATOM 635 CD2 PHE A 41 162.301 5.875 -7.679 1.00 0.00 C ATOM 636 CE1 PHE A 41 162.624 6.186 -4.956 1.00 0.00 C ATOM 637 CE2 PHE A 41 163.288 5.169 -7.016 1.00 0.00 C ATOM 638 CZ PHE A 41 163.450 5.325 -5.653 1.00 0.00 C ATOM 0 H PHE A 41 159.442 10.692 -7.592 1.00 0.00 H new ATOM 0 HA PHE A 41 161.095 9.340 -6.860 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.445 7.362 -7.201 1.00 0.00 H new ATOM 0 HB3 PHE A 41 160.281 7.101 -8.718 1.00 0.00 H new ATOM 0 HD1 PHE A 41 160.996 7.560 -5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 41 162.179 5.749 -8.745 1.00 0.00 H new ATOM 0 HE1 PHE A 41 162.748 6.310 -3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.932 4.496 -7.563 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.221 4.775 -5.133 1.00 0.00 H new ATOM 648 N GLU A 42 161.214 9.626 -10.103 1.00 0.00 N ATOM 649 CA GLU A 42 162.078 9.911 -11.242 1.00 0.00 C ATOM 650 C GLU A 42 163.114 10.976 -10.888 1.00 0.00 C ATOM 651 O GLU A 42 164.314 10.706 -10.870 1.00 0.00 O ATOM 652 CB GLU A 42 161.245 10.372 -12.439 1.00 0.00 C ATOM 653 CG GLU A 42 162.019 10.389 -13.747 1.00 0.00 C ATOM 654 CD GLU A 42 161.179 9.943 -14.927 1.00 0.00 C ATOM 655 OE1 GLU A 42 160.801 8.753 -14.971 1.00 0.00 O ATOM 656 OE2 GLU A 42 160.899 10.783 -15.808 1.00 0.00 O ATOM 0 H GLU A 42 160.217 9.720 -10.298 1.00 0.00 H new ATOM 0 HA GLU A 42 162.603 8.993 -11.506 1.00 0.00 H new ATOM 0 HB2 GLU A 42 160.382 9.715 -12.545 1.00 0.00 H new ATOM 0 HB3 GLU A 42 160.861 11.373 -12.240 1.00 0.00 H new ATOM 0 HG2 GLU A 42 162.392 11.397 -13.931 1.00 0.00 H new ATOM 0 HG3 GLU A 42 162.889 9.738 -13.659 1.00 0.00 H new ATOM 663 N GLU A 43 162.642 12.190 -10.615 1.00 0.00 N ATOM 664 CA GLU A 43 163.531 13.296 -10.272 1.00 0.00 C ATOM 665 C GLU A 43 163.577 13.530 -8.763 1.00 0.00 C ATOM 666 O GLU A 43 164.594 13.974 -8.229 1.00 0.00 O ATOM 667 CB GLU A 43 163.081 14.574 -10.981 1.00 0.00 C ATOM 668 CG GLU A 43 161.661 14.994 -10.635 1.00 0.00 C ATOM 669 CD GLU A 43 160.634 14.420 -11.590 1.00 0.00 C ATOM 670 OE1 GLU A 43 160.468 14.983 -12.693 1.00 0.00 O ATOM 671 OE2 GLU A 43 159.994 13.407 -11.236 1.00 0.00 O ATOM 0 H GLU A 43 161.651 12.432 -10.625 1.00 0.00 H new ATOM 0 HA GLU A 43 164.534 13.030 -10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 43 163.764 15.383 -10.722 1.00 0.00 H new ATOM 0 HB3 GLU A 43 163.155 14.427 -12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 43 161.428 14.672 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 43 161.595 16.082 -10.647 1.00 0.00 H new ATOM 678 N ARG A 44 162.475 13.236 -8.080 1.00 0.00 N ATOM 679 CA ARG A 44 162.402 13.424 -6.635 1.00 0.00 C ATOM 680 C ARG A 44 162.950 12.207 -5.894 1.00 0.00 C ATOM 681 O ARG A 44 163.386 12.311 -4.748 1.00 0.00 O ATOM 682 CB ARG A 44 160.956 13.688 -6.208 1.00 0.00 C ATOM 683 CG ARG A 44 160.667 15.151 -5.914 1.00 0.00 C ATOM 684 CD ARG A 44 159.848 15.793 -7.023 1.00 0.00 C ATOM 685 NE ARG A 44 160.071 17.234 -7.104 1.00 0.00 N ATOM 686 CZ ARG A 44 161.133 17.789 -7.684 1.00 0.00 C ATOM 687 NH1 ARG A 44 162.071 17.028 -8.234 1.00 0.00 N ATOM 688 NH2 ARG A 44 161.258 19.109 -7.714 1.00 0.00 N ATOM 0 H ARG A 44 161.623 12.868 -8.502 1.00 0.00 H new ATOM 0 HA ARG A 44 163.015 14.287 -6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.285 13.345 -6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 44 160.734 13.097 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 44 160.130 15.234 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 44 161.606 15.691 -5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.105 15.332 -7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 44 158.789 15.599 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 44 159.372 17.852 -6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 44 161.980 16.012 -8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 44 162.882 17.459 -8.677 1.00 0.00 H new ATOM 0 HH21 ARG A 44 160.540 19.699 -7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 44 162.072 19.534 -8.158 1.00 0.00 H new ATOM 702 N GLY A 45 162.923 11.056 -6.555 1.00 0.00 N ATOM 703 CA GLY A 45 163.417 9.838 -5.943 1.00 0.00 C ATOM 704 C GLY A 45 164.930 9.756 -5.943 1.00 0.00 C ATOM 705 O GLY A 45 165.569 9.919 -6.983 1.00 0.00 O ATOM 0 H GLY A 45 162.567 10.945 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.054 9.779 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 45 163.011 8.978 -6.475 1.00 0.00 H new ATOM 709 N GLY A 46 165.503 9.497 -4.773 1.00 0.00 N ATOM 710 CA GLY A 46 166.945 9.391 -4.656 1.00 0.00 C ATOM 711 C GLY A 46 167.360 8.301 -3.690 1.00 0.00 C ATOM 712 O GLY A 46 166.613 7.963 -2.771 1.00 0.00 O ATOM 0 H GLY A 46 164.992 9.358 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 46 167.374 9.188 -5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 46 167.352 10.345 -4.322 1.00 0.00 H new ATOM 716 N VAL A 47 168.549 7.744 -3.894 1.00 0.00 N ATOM 717 CA VAL A 47 169.054 6.684 -3.032 1.00 0.00 C ATOM 718 C VAL A 47 170.539 6.885 -2.746 1.00 0.00 C ATOM 719 O VAL A 47 171.346 7.017 -3.666 1.00 0.00 O ATOM 720 CB VAL A 47 168.833 5.299 -3.676 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.358 4.184 -2.781 1.00 0.00 C ATOM 722 CG2 VAL A 47 167.358 5.090 -3.983 1.00 0.00 C ATOM 0 H VAL A 47 169.181 8.010 -4.650 1.00 0.00 H new ATOM 0 HA VAL A 47 168.502 6.727 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 47 169.394 5.266 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 47 169.188 3.221 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.426 4.323 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 47 168.836 4.209 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 47 167.216 4.109 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 47 166.782 5.149 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 47 167.017 5.862 -4.673 1.00 0.00 H new ATOM 732 N GLU A 48 170.892 6.916 -1.464 1.00 0.00 N ATOM 733 CA GLU A 48 172.282 7.110 -1.062 1.00 0.00 C ATOM 734 C GLU A 48 172.872 5.825 -0.491 1.00 0.00 C ATOM 735 O GLU A 48 172.143 4.944 -0.035 1.00 0.00 O ATOM 736 CB GLU A 48 172.383 8.234 -0.029 1.00 0.00 C ATOM 737 CG GLU A 48 171.667 7.927 1.276 1.00 0.00 C ATOM 738 CD GLU A 48 172.396 8.482 2.485 1.00 0.00 C ATOM 739 OE1 GLU A 48 173.643 8.532 2.454 1.00 0.00 O ATOM 740 OE2 GLU A 48 171.719 8.866 3.462 1.00 0.00 O ATOM 0 H GLU A 48 170.238 6.810 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 48 172.853 7.386 -1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 48 173.435 8.430 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 48 171.967 9.147 -0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 48 170.660 8.343 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 48 171.562 6.847 1.383 1.00 0.00 H new ATOM 747 N PHE A 49 174.198 5.722 -0.522 1.00 0.00 N ATOM 748 CA PHE A 49 174.888 4.545 -0.010 1.00 0.00 C ATOM 749 C PHE A 49 175.703 4.889 1.233 1.00 0.00 C ATOM 750 O PHE A 49 176.668 5.651 1.163 1.00 0.00 O ATOM 751 CB PHE A 49 175.809 3.970 -1.090 1.00 0.00 C ATOM 752 CG PHE A 49 176.141 2.511 -0.916 1.00 0.00 C ATOM 753 CD1 PHE A 49 175.840 1.840 0.262 1.00 0.00 C ATOM 754 CD2 PHE A 49 176.759 1.812 -1.939 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.150 0.501 0.410 1.00 0.00 C ATOM 756 CE2 PHE A 49 177.072 0.475 -1.796 1.00 0.00 C ATOM 757 CZ PHE A 49 176.767 -0.182 -0.620 1.00 0.00 C ATOM 0 H PHE A 49 174.816 6.442 -0.897 1.00 0.00 H new ATOM 0 HA PHE A 49 174.139 3.801 0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.338 4.109 -2.063 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.737 4.542 -1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 49 175.359 2.370 1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 49 176.999 2.320 -2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 49 175.910 -0.011 1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 49 177.555 -0.057 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 49 177.011 -1.228 -0.506 1.00 0.00 H new ATOM 767 N VAL A 50 175.313 4.321 2.369 1.00 0.00 N ATOM 768 CA VAL A 50 176.010 4.565 3.626 1.00 0.00 C ATOM 769 C VAL A 50 176.689 3.294 4.129 1.00 0.00 C ATOM 770 O VAL A 50 176.644 2.253 3.472 1.00 0.00 O ATOM 771 CB VAL A 50 175.046 5.087 4.710 1.00 0.00 C ATOM 772 CG1 VAL A 50 174.620 6.515 4.408 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.835 4.177 4.826 1.00 0.00 C ATOM 0 H VAL A 50 174.517 3.688 2.445 1.00 0.00 H new ATOM 0 HA VAL A 50 176.766 5.325 3.430 1.00 0.00 H new ATOM 0 HB VAL A 50 175.570 5.085 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.940 6.864 5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 50 175.499 7.159 4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 50 174.115 6.548 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 50 173.165 4.560 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 50 173.311 4.146 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 50 174.160 3.172 5.095 1.00 0.00 H new ATOM 783 N GLU A 51 177.312 3.380 5.300 1.00 0.00 N ATOM 784 CA GLU A 51 177.993 2.232 5.888 1.00 0.00 C ATOM 785 C GLU A 51 177.259 1.755 7.136 1.00 0.00 C ATOM 786 O GLU A 51 176.374 2.442 7.646 1.00 0.00 O ATOM 787 CB GLU A 51 179.438 2.593 6.238 1.00 0.00 C ATOM 788 CG GLU A 51 180.407 2.417 5.080 1.00 0.00 C ATOM 789 CD GLU A 51 181.753 3.063 5.344 1.00 0.00 C ATOM 790 OE1 GLU A 51 182.546 2.487 6.118 1.00 0.00 O ATOM 791 OE2 GLU A 51 182.014 4.145 4.777 1.00 0.00 O ATOM 0 H GLU A 51 177.359 4.231 5.860 1.00 0.00 H new ATOM 0 HA GLU A 51 177.997 1.425 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 51 179.473 3.629 6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.766 1.974 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 51 180.550 1.353 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 51 179.972 2.848 4.178 1.00 0.00 H new ATOM 798 N THR A 52 177.629 0.576 7.626 1.00 0.00 N ATOM 799 CA THR A 52 176.999 0.015 8.816 1.00 0.00 C ATOM 800 C THR A 52 177.055 0.998 9.981 1.00 0.00 C ATOM 801 O THR A 52 177.928 1.864 10.036 1.00 0.00 O ATOM 802 CB THR A 52 177.674 -1.298 9.213 1.00 0.00 C ATOM 803 OG1 THR A 52 177.863 -2.129 8.081 1.00 0.00 O ATOM 804 CG2 THR A 52 176.887 -2.088 10.238 1.00 0.00 C ATOM 0 H THR A 52 178.360 -0.008 7.219 1.00 0.00 H new ATOM 0 HA THR A 52 175.954 -0.181 8.577 1.00 0.00 H new ATOM 0 HB THR A 52 178.629 -1.011 9.653 1.00 0.00 H new ATOM 0 HG1 THR A 52 177.255 -1.849 7.365 1.00 0.00 H new ATOM 0 HG21 THR A 52 177.421 -3.008 10.476 1.00 0.00 H new ATOM 0 HG22 THR A 52 176.768 -1.493 11.143 1.00 0.00 H new ATOM 0 HG23 THR A 52 175.905 -2.333 9.833 1.00 0.00 H new ATOM 812 N ALA A 53 176.115 0.856 10.906 1.00 0.00 N ATOM 813 CA ALA A 53 176.047 1.727 12.072 1.00 0.00 C ATOM 814 C ALA A 53 176.931 1.208 13.198 1.00 0.00 C ATOM 815 O ALA A 53 177.792 0.355 12.986 1.00 0.00 O ATOM 816 CB ALA A 53 174.610 1.834 12.556 1.00 0.00 C ATOM 0 H ALA A 53 175.386 0.143 10.871 1.00 0.00 H new ATOM 0 HA ALA A 53 176.408 2.713 11.780 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.567 2.487 13.428 1.00 0.00 H new ATOM 0 HB2 ALA A 53 173.989 2.248 11.762 1.00 0.00 H new ATOM 0 HB3 ALA A 53 174.242 0.844 12.826 1.00 0.00 H new ATOM 822 N ASP A 54 176.692 1.716 14.403 1.00 0.00 N ATOM 823 CA ASP A 54 177.443 1.293 15.574 1.00 0.00 C ATOM 824 C ASP A 54 176.680 0.199 16.312 1.00 0.00 C ATOM 825 O ASP A 54 176.673 0.153 17.542 1.00 0.00 O ATOM 826 CB ASP A 54 177.697 2.479 16.505 1.00 0.00 C ATOM 827 CG ASP A 54 179.074 2.433 17.139 1.00 0.00 C ATOM 828 OD1 ASP A 54 180.073 2.506 16.394 1.00 0.00 O ATOM 829 OD2 ASP A 54 179.152 2.323 18.381 1.00 0.00 O ATOM 0 H ASP A 54 175.981 2.423 14.592 1.00 0.00 H new ATOM 0 HA ASP A 54 178.406 0.898 15.249 1.00 0.00 H new ATOM 0 HB2 ASP A 54 177.589 3.407 15.944 1.00 0.00 H new ATOM 0 HB3 ASP A 54 176.940 2.491 17.289 1.00 0.00 H new ATOM 834 N ASP A 55 176.038 -0.682 15.543 1.00 0.00 N ATOM 835 CA ASP A 55 175.263 -1.789 16.102 1.00 0.00 C ATOM 836 C ASP A 55 173.889 -1.318 16.560 1.00 0.00 C ATOM 837 O ASP A 55 173.767 -0.602 17.554 1.00 0.00 O ATOM 838 CB ASP A 55 176.009 -2.444 17.269 1.00 0.00 C ATOM 839 CG ASP A 55 175.866 -3.954 17.272 1.00 0.00 C ATOM 840 OD1 ASP A 55 174.795 -4.450 16.864 1.00 0.00 O ATOM 841 OD2 ASP A 55 176.826 -4.640 17.682 1.00 0.00 O ATOM 0 H ASP A 55 176.041 -0.649 14.524 1.00 0.00 H new ATOM 0 HA ASP A 55 175.130 -2.530 15.313 1.00 0.00 H new ATOM 0 HB2 ASP A 55 177.066 -2.182 17.214 1.00 0.00 H new ATOM 0 HB3 ASP A 55 175.630 -2.044 18.209 1.00 0.00 H new ATOM 846 N TRP A 56 172.856 -1.724 15.828 1.00 0.00 N ATOM 847 CA TRP A 56 171.491 -1.342 16.163 1.00 0.00 C ATOM 848 C TRP A 56 170.542 -2.532 16.080 1.00 0.00 C ATOM 849 O TRP A 56 169.360 -2.370 15.781 1.00 0.00 O ATOM 850 CB TRP A 56 171.000 -0.222 15.244 1.00 0.00 C ATOM 851 CG TRP A 56 171.396 -0.385 13.808 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.662 -0.444 13.302 1.00 0.00 C ATOM 853 CD2 TRP A 56 170.510 -0.494 12.691 1.00 0.00 C ATOM 854 NE1 TRP A 56 172.616 -0.577 11.935 1.00 0.00 N ATOM 855 CE2 TRP A 56 171.305 -0.612 11.537 1.00 0.00 C ATOM 856 CE3 TRP A 56 169.121 -0.503 12.558 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.753 -0.735 10.265 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.573 -0.629 11.296 1.00 0.00 C ATOM 859 CH2 TRP A 56 169.387 -0.743 10.164 1.00 0.00 C ATOM 0 H TRP A 56 172.939 -2.316 15.001 1.00 0.00 H new ATOM 0 HA TRP A 56 171.498 -0.981 17.191 1.00 0.00 H new ATOM 0 HB2 TRP A 56 169.913 -0.168 15.305 1.00 0.00 H new ATOM 0 HB3 TRP A 56 171.388 0.729 15.610 1.00 0.00 H new ATOM 0 HD1 TRP A 56 173.567 -0.394 13.889 1.00 0.00 H new ATOM 0 HE1 TRP A 56 173.425 -0.639 11.317 1.00 0.00 H new ATOM 0 HE3 TRP A 56 168.485 -0.413 13.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 171.379 -0.821 9.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 167.499 -0.640 11.182 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.929 -0.839 9.191 1.00 0.00 H new ATOM 870 N GLU A 57 171.067 -3.724 16.345 1.00 0.00 N ATOM 871 CA GLU A 57 170.261 -4.940 16.302 1.00 0.00 C ATOM 872 C GLU A 57 169.132 -4.875 17.327 1.00 0.00 C ATOM 873 O GLU A 57 169.210 -5.485 18.393 1.00 0.00 O ATOM 874 CB GLU A 57 171.137 -6.166 16.563 1.00 0.00 C ATOM 875 CG GLU A 57 171.829 -6.143 17.917 1.00 0.00 C ATOM 876 CD GLU A 57 171.576 -7.401 18.725 1.00 0.00 C ATOM 877 OE1 GLU A 57 170.496 -8.007 18.557 1.00 0.00 O ATOM 878 OE2 GLU A 57 172.456 -7.780 19.526 1.00 0.00 O ATOM 0 H GLU A 57 172.045 -3.874 16.591 1.00 0.00 H new ATOM 0 HA GLU A 57 169.822 -5.024 15.308 1.00 0.00 H new ATOM 0 HB2 GLU A 57 170.522 -7.063 16.494 1.00 0.00 H new ATOM 0 HB3 GLU A 57 171.892 -6.236 15.780 1.00 0.00 H new ATOM 0 HG2 GLU A 57 172.902 -6.020 17.770 1.00 0.00 H new ATOM 0 HG3 GLU A 57 171.484 -5.277 18.482 1.00 0.00 H new ATOM 885 N GLU A 58 168.086 -4.124 16.997 1.00 0.00 N ATOM 886 CA GLU A 58 166.942 -3.966 17.888 1.00 0.00 C ATOM 887 C GLU A 58 165.674 -3.616 17.109 1.00 0.00 C ATOM 888 O GLU A 58 164.577 -4.039 17.474 1.00 0.00 O ATOM 889 CB GLU A 58 167.233 -2.879 18.923 1.00 0.00 C ATOM 890 CG GLU A 58 167.678 -3.423 20.270 1.00 0.00 C ATOM 891 CD GLU A 58 168.305 -2.359 21.150 1.00 0.00 C ATOM 892 OE1 GLU A 58 169.210 -1.647 20.666 1.00 0.00 O ATOM 893 OE2 GLU A 58 167.892 -2.239 22.322 1.00 0.00 O ATOM 0 H GLU A 58 168.007 -3.614 16.117 1.00 0.00 H new ATOM 0 HA GLU A 58 166.776 -4.917 18.395 1.00 0.00 H new ATOM 0 HB2 GLU A 58 168.007 -2.217 18.534 1.00 0.00 H new ATOM 0 HB3 GLU A 58 166.337 -2.274 19.063 1.00 0.00 H new ATOM 0 HG2 GLU A 58 166.820 -3.856 20.785 1.00 0.00 H new ATOM 0 HG3 GLU A 58 168.395 -4.229 20.113 1.00 0.00 H new ATOM 900 N GLU A 59 165.828 -2.845 16.035 1.00 0.00 N ATOM 901 CA GLU A 59 164.689 -2.449 15.215 1.00 0.00 C ATOM 902 C GLU A 59 164.489 -3.418 14.054 1.00 0.00 C ATOM 903 O GLU A 59 163.381 -3.904 13.829 1.00 0.00 O ATOM 904 CB GLU A 59 164.868 -1.021 14.691 1.00 0.00 C ATOM 905 CG GLU A 59 166.005 -0.869 13.695 1.00 0.00 C ATOM 906 CD GLU A 59 166.232 0.574 13.289 1.00 0.00 C ATOM 907 OE1 GLU A 59 166.544 1.398 14.175 1.00 0.00 O ATOM 908 OE2 GLU A 59 166.099 0.880 12.086 1.00 0.00 O ATOM 0 H GLU A 59 166.727 -2.484 15.714 1.00 0.00 H new ATOM 0 HA GLU A 59 163.799 -2.479 15.843 1.00 0.00 H new ATOM 0 HB2 GLU A 59 163.940 -0.698 14.220 1.00 0.00 H new ATOM 0 HB3 GLU A 59 165.046 -0.354 15.535 1.00 0.00 H new ATOM 0 HG2 GLU A 59 166.921 -1.269 14.130 1.00 0.00 H new ATOM 0 HG3 GLU A 59 165.788 -1.463 12.807 1.00 0.00 H new ATOM 915 N ILE A 60 165.563 -3.705 13.320 1.00 0.00 N ATOM 916 CA ILE A 60 165.486 -4.626 12.190 1.00 0.00 C ATOM 917 C ILE A 60 165.282 -6.062 12.668 1.00 0.00 C ATOM 918 O ILE A 60 164.560 -6.837 12.042 1.00 0.00 O ATOM 919 CB ILE A 60 166.747 -4.559 11.296 1.00 0.00 C ATOM 920 CG1 ILE A 60 168.020 -4.436 12.140 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.638 -3.395 10.324 1.00 0.00 C ATOM 922 CD1 ILE A 60 169.292 -4.399 11.321 1.00 0.00 C ATOM 0 H ILE A 60 166.491 -3.315 13.487 1.00 0.00 H new ATOM 0 HA ILE A 60 164.628 -4.315 11.595 1.00 0.00 H new ATOM 0 HB ILE A 60 166.812 -5.488 10.730 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.960 -3.530 12.742 1.00 0.00 H new ATOM 0 HG13 ILE A 60 168.069 -5.276 12.833 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.531 -3.357 9.700 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.759 -3.529 9.693 1.00 0.00 H new ATOM 0 HG23 ILE A 60 166.545 -2.463 10.881 1.00 0.00 H new ATOM 0 HD11 ILE A 60 170.151 -4.311 11.986 1.00 0.00 H new ATOM 0 HD12 ILE A 60 169.377 -5.317 10.739 1.00 0.00 H new ATOM 0 HD13 ILE A 60 169.266 -3.543 10.647 1.00 0.00 H new ATOM 934 N GLY A 61 165.914 -6.407 13.787 1.00 0.00 N ATOM 935 CA GLY A 61 165.777 -7.746 14.334 1.00 0.00 C ATOM 936 C GLY A 61 166.881 -8.687 13.888 1.00 0.00 C ATOM 937 O GLY A 61 166.613 -9.714 13.266 1.00 0.00 O ATOM 0 H GLY A 61 166.518 -5.784 14.324 1.00 0.00 H new ATOM 0 HA2 GLY A 61 165.774 -7.689 15.422 1.00 0.00 H new ATOM 0 HA3 GLY A 61 164.813 -8.158 14.034 1.00 0.00 H new ATOM 941 N VAL A 62 168.124 -8.342 14.217 1.00 0.00 N ATOM 942 CA VAL A 62 169.278 -9.167 13.859 1.00 0.00 C ATOM 943 C VAL A 62 170.581 -8.475 14.235 1.00 0.00 C ATOM 944 O VAL A 62 170.714 -7.262 14.085 1.00 0.00 O ATOM 945 CB VAL A 62 169.326 -9.515 12.351 1.00 0.00 C ATOM 946 CG1 VAL A 62 168.858 -10.942 12.121 1.00 0.00 C ATOM 947 CG2 VAL A 62 168.509 -8.532 11.521 1.00 0.00 C ATOM 0 H VAL A 62 168.359 -7.494 14.733 1.00 0.00 H new ATOM 0 HA VAL A 62 169.164 -10.093 14.422 1.00 0.00 H new ATOM 0 HB VAL A 62 170.362 -9.433 12.022 1.00 0.00 H new ATOM 0 HG11 VAL A 62 168.898 -11.171 11.056 1.00 0.00 H new ATOM 0 HG12 VAL A 62 169.506 -11.630 12.664 1.00 0.00 H new ATOM 0 HG13 VAL A 62 167.834 -11.051 12.477 1.00 0.00 H new ATOM 0 HG21 VAL A 62 168.567 -8.809 10.468 1.00 0.00 H new ATOM 0 HG22 VAL A 62 167.469 -8.558 11.846 1.00 0.00 H new ATOM 0 HG23 VAL A 62 168.906 -7.526 11.654 1.00 0.00 H new ATOM 957 N LEU A 63 171.541 -9.254 14.723 1.00 0.00 N ATOM 958 CA LEU A 63 172.837 -8.710 15.119 1.00 0.00 C ATOM 959 C LEU A 63 173.487 -7.959 13.962 1.00 0.00 C ATOM 960 O LEU A 63 173.480 -8.428 12.824 1.00 0.00 O ATOM 961 CB LEU A 63 173.760 -9.834 15.594 1.00 0.00 C ATOM 962 CG LEU A 63 173.435 -10.397 16.979 1.00 0.00 C ATOM 963 CD1 LEU A 63 173.580 -11.911 16.989 1.00 0.00 C ATOM 964 CD2 LEU A 63 174.333 -9.768 18.034 1.00 0.00 C ATOM 0 H LEU A 63 171.447 -10.261 14.854 1.00 0.00 H new ATOM 0 HA LEU A 63 172.675 -8.010 15.939 1.00 0.00 H new ATOM 0 HB2 LEU A 63 173.720 -10.647 14.869 1.00 0.00 H new ATOM 0 HB3 LEU A 63 174.785 -9.463 15.601 1.00 0.00 H new ATOM 0 HG LEU A 63 172.400 -10.150 17.216 1.00 0.00 H new ATOM 0 HD11 LEU A 63 173.345 -12.292 17.983 1.00 0.00 H new ATOM 0 HD12 LEU A 63 172.895 -12.347 16.261 1.00 0.00 H new ATOM 0 HD13 LEU A 63 174.604 -12.180 16.730 1.00 0.00 H new ATOM 0 HD21 LEU A 63 174.088 -10.180 19.013 1.00 0.00 H new ATOM 0 HD22 LEU A 63 175.375 -9.984 17.800 1.00 0.00 H new ATOM 0 HD23 LEU A 63 174.180 -8.689 18.046 1.00 0.00 H new ATOM 976 N ILE A 64 174.042 -6.788 14.257 1.00 0.00 N ATOM 977 CA ILE A 64 174.687 -5.974 13.233 1.00 0.00 C ATOM 978 C ILE A 64 176.205 -6.025 13.352 1.00 0.00 C ATOM 979 O ILE A 64 176.765 -5.781 14.421 1.00 0.00 O ATOM 980 CB ILE A 64 174.234 -4.502 13.307 1.00 0.00 C ATOM 981 CG1 ILE A 64 172.736 -4.413 13.609 1.00 0.00 C ATOM 982 CG2 ILE A 64 174.560 -3.785 12.006 1.00 0.00 C ATOM 983 CD1 ILE A 64 171.880 -5.244 12.680 1.00 0.00 C ATOM 0 H ILE A 64 174.058 -6.383 15.193 1.00 0.00 H new ATOM 0 HA ILE A 64 174.385 -6.395 12.274 1.00 0.00 H new ATOM 0 HB ILE A 64 174.774 -4.014 14.118 1.00 0.00 H new ATOM 0 HG12 ILE A 64 172.561 -4.735 14.636 1.00 0.00 H new ATOM 0 HG13 ILE A 64 172.422 -3.371 13.544 1.00 0.00 H new ATOM 0 HG21 ILE A 64 174.235 -2.747 12.071 1.00 0.00 H new ATOM 0 HG22 ILE A 64 175.635 -3.818 11.832 1.00 0.00 H new ATOM 0 HG23 ILE A 64 174.043 -4.275 11.181 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.831 -5.132 12.954 1.00 0.00 H new ATOM 0 HD12 ILE A 64 172.025 -4.908 11.653 1.00 0.00 H new ATOM 0 HD13 ILE A 64 172.166 -6.293 12.762 1.00 0.00 H new ATOM 995 N ASP A 65 176.864 -6.336 12.242 1.00 0.00 N ATOM 996 CA ASP A 65 178.319 -6.411 12.207 1.00 0.00 C ATOM 997 C ASP A 65 178.881 -5.389 11.220 1.00 0.00 C ATOM 998 O ASP A 65 178.718 -5.538 10.009 1.00 0.00 O ATOM 999 CB ASP A 65 178.772 -7.819 11.815 1.00 0.00 C ATOM 1000 CG ASP A 65 178.007 -8.901 12.551 1.00 0.00 C ATOM 1001 OD1 ASP A 65 177.801 -8.755 13.775 1.00 0.00 O ATOM 1002 OD2 ASP A 65 177.613 -9.895 11.905 1.00 0.00 O ATOM 0 H ASP A 65 176.411 -6.541 11.351 1.00 0.00 H new ATOM 0 HA ASP A 65 178.699 -6.184 13.203 1.00 0.00 H new ATOM 0 HB2 ASP A 65 178.642 -7.953 10.741 1.00 0.00 H new ATOM 0 HB3 ASP A 65 179.837 -7.926 12.023 1.00 0.00 H new ATOM 1007 N PRO A 66 179.548 -4.332 11.716 1.00 0.00 N ATOM 1008 CA PRO A 66 180.122 -3.295 10.854 1.00 0.00 C ATOM 1009 C PRO A 66 181.186 -3.852 9.918 1.00 0.00 C ATOM 1010 O PRO A 66 181.782 -4.893 10.189 1.00 0.00 O ATOM 1011 CB PRO A 66 180.733 -2.293 11.838 1.00 0.00 C ATOM 1012 CG PRO A 66 180.911 -3.055 13.106 1.00 0.00 C ATOM 1013 CD PRO A 66 179.797 -4.061 13.143 1.00 0.00 C ATOM 0 HA PRO A 66 179.372 -2.850 10.200 1.00 0.00 H new ATOM 0 HB2 PRO A 66 181.685 -1.910 11.471 1.00 0.00 H new ATOM 0 HB3 PRO A 66 180.079 -1.433 11.983 1.00 0.00 H new ATOM 0 HG2 PRO A 66 181.883 -3.548 13.132 1.00 0.00 H new ATOM 0 HG3 PRO A 66 180.867 -2.392 13.970 1.00 0.00 H new ATOM 0 HD2 PRO A 66 180.086 -4.964 13.681 1.00 0.00 H new ATOM 0 HD3 PRO A 66 178.911 -3.664 13.639 1.00 0.00 H new ATOM 1021 N GLU A 67 181.408 -3.161 8.805 1.00 0.00 N ATOM 1022 CA GLU A 67 182.391 -3.594 7.817 1.00 0.00 C ATOM 1023 C GLU A 67 182.026 -4.957 7.226 1.00 0.00 C ATOM 1024 O GLU A 67 182.814 -5.552 6.490 1.00 0.00 O ATOM 1025 CB GLU A 67 183.785 -3.655 8.447 1.00 0.00 C ATOM 1026 CG GLU A 67 184.377 -2.287 8.746 1.00 0.00 C ATOM 1027 CD GLU A 67 185.035 -2.223 10.111 1.00 0.00 C ATOM 1028 OE1 GLU A 67 184.311 -2.321 11.124 1.00 0.00 O ATOM 1029 OE2 GLU A 67 186.274 -2.074 10.166 1.00 0.00 O ATOM 0 H GLU A 67 180.920 -2.298 8.564 1.00 0.00 H new ATOM 0 HA GLU A 67 182.393 -2.863 7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 67 183.732 -4.229 9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 67 184.455 -4.193 7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 67 185.112 -2.038 7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 67 183.590 -1.534 8.690 1.00 0.00 H new ATOM 1036 N GLU A 68 180.830 -5.450 7.549 1.00 0.00 N ATOM 1037 CA GLU A 68 180.372 -6.739 7.046 1.00 0.00 C ATOM 1038 C GLU A 68 179.051 -6.605 6.286 1.00 0.00 C ATOM 1039 O GLU A 68 178.553 -7.578 5.719 1.00 0.00 O ATOM 1040 CB GLU A 68 180.207 -7.725 8.203 1.00 0.00 C ATOM 1041 CG GLU A 68 181.512 -8.057 8.908 1.00 0.00 C ATOM 1042 CD GLU A 68 181.297 -8.802 10.211 1.00 0.00 C ATOM 1043 OE1 GLU A 68 180.552 -9.804 10.206 1.00 0.00 O ATOM 1044 OE2 GLU A 68 181.874 -8.382 11.236 1.00 0.00 O ATOM 0 H GLU A 68 180.163 -4.974 8.157 1.00 0.00 H new ATOM 0 HA GLU A 68 181.125 -7.114 6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 68 179.508 -7.308 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 68 179.763 -8.646 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 68 182.135 -8.660 8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 68 182.058 -7.135 9.107 1.00 0.00 H new ATOM 1051 N TYR A 69 178.485 -5.397 6.273 1.00 0.00 N ATOM 1052 CA TYR A 69 177.226 -5.155 5.576 1.00 0.00 C ATOM 1053 C TYR A 69 177.160 -3.737 5.021 1.00 0.00 C ATOM 1054 O TYR A 69 177.492 -2.772 5.709 1.00 0.00 O ATOM 1055 CB TYR A 69 176.036 -5.385 6.513 1.00 0.00 C ATOM 1056 CG TYR A 69 176.036 -6.734 7.195 1.00 0.00 C ATOM 1057 CD1 TYR A 69 175.635 -7.879 6.519 1.00 0.00 C ATOM 1058 CD2 TYR A 69 176.431 -6.859 8.520 1.00 0.00 C ATOM 1059 CE1 TYR A 69 175.630 -9.111 7.143 1.00 0.00 C ATOM 1060 CE2 TYR A 69 176.429 -8.087 9.152 1.00 0.00 C ATOM 1061 CZ TYR A 69 176.027 -9.210 8.460 1.00 0.00 C ATOM 1062 OH TYR A 69 176.024 -10.436 9.085 1.00 0.00 O ATOM 0 H TYR A 69 178.878 -4.577 6.735 1.00 0.00 H new ATOM 0 HA TYR A 69 177.177 -5.859 4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.032 -4.605 7.275 1.00 0.00 H new ATOM 0 HB3 TYR A 69 175.113 -5.279 5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 69 175.322 -7.805 5.488 1.00 0.00 H new ATOM 0 HD2 TYR A 69 176.745 -5.981 9.066 1.00 0.00 H new ATOM 0 HE1 TYR A 69 175.317 -9.992 6.603 1.00 0.00 H new ATOM 0 HE2 TYR A 69 176.741 -8.167 10.183 1.00 0.00 H new ATOM 0 HH TYR A 69 176.486 -10.365 9.946 1.00 0.00 H new ATOM 1072 N ALA A 70 176.708 -3.621 3.778 1.00 0.00 N ATOM 1073 CA ALA A 70 176.572 -2.322 3.131 1.00 0.00 C ATOM 1074 C ALA A 70 175.176 -1.762 3.375 1.00 0.00 C ATOM 1075 O ALA A 70 174.178 -2.409 3.059 1.00 0.00 O ATOM 1076 CB ALA A 70 176.850 -2.440 1.640 1.00 0.00 C ATOM 0 H ALA A 70 176.429 -4.412 3.197 1.00 0.00 H new ATOM 0 HA ALA A 70 177.302 -1.636 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.744 -1.461 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.865 -2.808 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 70 176.141 -3.135 1.192 1.00 0.00 H new ATOM 1082 N GLU A 71 175.105 -0.565 3.948 1.00 0.00 N ATOM 1083 CA GLU A 71 173.817 0.054 4.238 1.00 0.00 C ATOM 1084 C GLU A 71 173.477 1.118 3.199 1.00 0.00 C ATOM 1085 O GLU A 71 174.202 2.098 3.037 1.00 0.00 O ATOM 1086 CB GLU A 71 173.823 0.661 5.653 1.00 0.00 C ATOM 1087 CG GLU A 71 172.621 1.550 5.979 1.00 0.00 C ATOM 1088 CD GLU A 71 172.876 2.454 7.169 1.00 0.00 C ATOM 1089 OE1 GLU A 71 173.999 2.988 7.279 1.00 0.00 O ATOM 1090 OE2 GLU A 71 171.952 2.626 7.992 1.00 0.00 O ATOM 0 H GLU A 71 175.916 -0.009 4.219 1.00 0.00 H new ATOM 0 HA GLU A 71 173.049 -0.718 4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 71 173.864 -0.150 6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.734 1.247 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 71 172.377 2.160 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 71 171.753 0.923 6.182 1.00 0.00 H new ATOM 1097 N VAL A 72 172.363 0.918 2.502 1.00 0.00 N ATOM 1098 CA VAL A 72 171.919 1.859 1.484 1.00 0.00 C ATOM 1099 C VAL A 72 170.468 2.267 1.722 1.00 0.00 C ATOM 1100 O VAL A 72 169.582 1.418 1.815 1.00 0.00 O ATOM 1101 CB VAL A 72 172.069 1.271 0.065 1.00 0.00 C ATOM 1102 CG1 VAL A 72 171.078 0.146 -0.173 1.00 0.00 C ATOM 1103 CG2 VAL A 72 171.913 2.361 -0.985 1.00 0.00 C ATOM 0 H VAL A 72 171.752 0.111 2.625 1.00 0.00 H new ATOM 0 HA VAL A 72 172.555 2.741 1.558 1.00 0.00 H new ATOM 0 HB VAL A 72 173.072 0.852 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 72 171.209 -0.247 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 72 171.250 -0.650 0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.063 0.526 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.022 1.927 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 72 170.927 2.816 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 72 172.679 3.122 -0.836 1.00 0.00 H new ATOM 1113 N TRP A 73 170.236 3.569 1.832 1.00 0.00 N ATOM 1114 CA TRP A 73 168.895 4.086 2.074 1.00 0.00 C ATOM 1115 C TRP A 73 168.163 4.357 0.765 1.00 0.00 C ATOM 1116 O TRP A 73 168.757 4.831 -0.206 1.00 0.00 O ATOM 1117 CB TRP A 73 168.967 5.363 2.913 1.00 0.00 C ATOM 1118 CG TRP A 73 169.109 5.094 4.380 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.229 3.873 4.978 1.00 0.00 C ATOM 1120 CD2 TRP A 73 169.144 6.062 5.436 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.332 4.020 6.338 1.00 0.00 N ATOM 1122 CE2 TRP A 73 169.283 5.354 6.644 1.00 0.00 C ATOM 1123 CE3 TRP A 73 169.071 7.456 5.478 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 169.349 5.992 7.878 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 169.137 8.090 6.704 1.00 0.00 C ATOM 1126 CH2 TRP A 73 169.275 7.358 7.890 1.00 0.00 C ATOM 0 H TRP A 73 170.958 4.286 1.758 1.00 0.00 H new ATOM 0 HA TRP A 73 168.335 3.329 2.622 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.811 5.965 2.576 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.067 5.954 2.743 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.241 2.928 4.456 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.429 3.260 7.011 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.965 8.028 4.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 169.455 5.429 8.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 169.081 9.168 6.748 1.00 0.00 H new ATOM 0 HH2 TRP A 73 169.324 7.882 8.833 1.00 0.00 H new ATOM 1137 N VAL A 74 166.866 4.061 0.753 1.00 0.00 N ATOM 1138 CA VAL A 74 166.035 4.272 -0.425 1.00 0.00 C ATOM 1139 C VAL A 74 164.776 5.051 -0.058 1.00 0.00 C ATOM 1140 O VAL A 74 163.798 4.477 0.421 1.00 0.00 O ATOM 1141 CB VAL A 74 165.632 2.933 -1.076 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.721 3.166 -2.272 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.868 2.146 -1.483 1.00 0.00 C ATOM 0 H VAL A 74 166.367 3.672 1.553 1.00 0.00 H new ATOM 0 HA VAL A 74 166.624 4.845 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 74 165.079 2.347 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.450 2.208 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.819 3.684 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.241 3.774 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 74 166.565 1.204 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.450 2.727 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 74 167.476 1.942 -0.602 1.00 0.00 H new ATOM 1153 N GLY A 75 164.820 6.361 -0.266 1.00 0.00 N ATOM 1154 CA GLY A 75 163.681 7.196 0.070 1.00 0.00 C ATOM 1155 C GLY A 75 163.413 8.299 -0.933 1.00 0.00 C ATOM 1156 O GLY A 75 163.544 8.105 -2.141 1.00 0.00 O ATOM 0 H GLY A 75 165.619 6.859 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 75 162.794 6.568 0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 75 163.846 7.642 1.051 1.00 0.00 H new ATOM 1160 N LEU A 76 163.032 9.463 -0.415 1.00 0.00 N ATOM 1161 CA LEU A 76 162.734 10.626 -1.247 1.00 0.00 C ATOM 1162 C LEU A 76 163.228 11.894 -0.559 1.00 0.00 C ATOM 1163 O LEU A 76 163.652 11.849 0.595 1.00 0.00 O ATOM 1164 CB LEU A 76 161.224 10.724 -1.523 1.00 0.00 C ATOM 1165 CG LEU A 76 160.850 11.327 -2.879 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.212 10.279 -3.780 1.00 0.00 C ATOM 1167 CD2 LEU A 76 159.915 12.513 -2.695 1.00 0.00 C ATOM 0 H LEU A 76 162.921 9.627 0.586 1.00 0.00 H new ATOM 0 HA LEU A 76 163.249 10.514 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.792 9.725 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 76 160.765 11.324 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 76 161.763 11.678 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 76 159.955 10.731 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 76 160.915 9.462 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 76 159.309 9.893 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 76 159.659 12.929 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 76 159.006 12.185 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 76 160.409 13.276 -2.093 1.00 0.00 H new ATOM 1179 N VAL A 77 163.178 13.024 -1.259 1.00 0.00 N ATOM 1180 CA VAL A 77 163.630 14.288 -0.688 1.00 0.00 C ATOM 1181 C VAL A 77 162.920 15.467 -1.345 1.00 0.00 C ATOM 1182 O VAL A 77 162.323 15.328 -2.413 1.00 0.00 O ATOM 1183 CB VAL A 77 165.154 14.470 -0.849 1.00 0.00 C ATOM 1184 CG1 VAL A 77 165.654 15.603 0.034 1.00 0.00 C ATOM 1185 CG2 VAL A 77 165.891 13.177 -0.530 1.00 0.00 C ATOM 0 H VAL A 77 162.831 13.090 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 77 163.387 14.260 0.374 1.00 0.00 H new ATOM 0 HB VAL A 77 165.357 14.729 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 77 166.731 15.716 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 77 165.156 16.531 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 77 165.434 15.376 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 77 166.963 13.330 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 77 165.680 12.882 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 77 165.558 12.392 -1.209 1.00 0.00 H new ATOM 1195 N ASN A 78 162.991 16.629 -0.703 1.00 0.00 N ATOM 1196 CA ASN A 78 162.358 17.833 -1.227 1.00 0.00 C ATOM 1197 C ASN A 78 163.324 18.588 -2.144 1.00 0.00 C ATOM 1198 O ASN A 78 164.202 17.982 -2.758 1.00 0.00 O ATOM 1199 CB ASN A 78 161.901 18.729 -0.070 1.00 0.00 C ATOM 1200 CG ASN A 78 161.186 17.952 1.018 1.00 0.00 C ATOM 1201 OD1 ASN A 78 159.958 17.861 1.027 1.00 0.00 O ATOM 1202 ND2 ASN A 78 161.952 17.387 1.944 1.00 0.00 N ATOM 0 H ASN A 78 163.481 16.762 0.182 1.00 0.00 H new ATOM 0 HA ASN A 78 161.485 17.547 -1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 78 162.767 19.234 0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 78 161.238 19.504 -0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 78 161.526 16.852 2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 78 162.966 17.488 1.898 1.00 0.00 H new ATOM 1209 N GLU A 79 163.163 19.907 -2.239 1.00 0.00 N ATOM 1210 CA GLU A 79 164.029 20.721 -3.086 1.00 0.00 C ATOM 1211 C GLU A 79 165.229 21.250 -2.302 1.00 0.00 C ATOM 1212 O GLU A 79 165.794 22.289 -2.643 1.00 0.00 O ATOM 1213 CB GLU A 79 163.241 21.890 -3.681 1.00 0.00 C ATOM 1214 CG GLU A 79 162.402 21.506 -4.889 1.00 0.00 C ATOM 1215 CD GLU A 79 161.554 22.655 -5.399 1.00 0.00 C ATOM 1216 OE1 GLU A 79 160.625 23.073 -4.677 1.00 0.00 O ATOM 1217 OE2 GLU A 79 161.819 23.135 -6.521 1.00 0.00 O ATOM 0 H GLU A 79 162.444 20.432 -1.742 1.00 0.00 H new ATOM 0 HA GLU A 79 164.399 20.088 -3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 79 162.588 22.306 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 79 163.937 22.678 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 79 163.058 21.161 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 79 161.754 20.670 -4.626 1.00 0.00 H new ATOM 1224 N GLN A 80 165.611 20.530 -1.251 1.00 0.00 N ATOM 1225 CA GLN A 80 166.740 20.926 -0.420 1.00 0.00 C ATOM 1226 C GLN A 80 167.938 19.995 -0.623 1.00 0.00 C ATOM 1227 O GLN A 80 168.991 20.185 -0.013 1.00 0.00 O ATOM 1228 CB GLN A 80 166.325 20.939 1.051 1.00 0.00 C ATOM 1229 CG GLN A 80 165.651 19.655 1.510 1.00 0.00 C ATOM 1230 CD GLN A 80 165.018 19.783 2.883 1.00 0.00 C ATOM 1231 OE1 GLN A 80 163.938 19.247 3.132 1.00 0.00 O ATOM 1232 NE2 GLN A 80 165.688 20.494 3.784 1.00 0.00 N ATOM 0 H GLN A 80 165.153 19.668 -0.956 1.00 0.00 H new ATOM 0 HA GLN A 80 167.044 21.929 -0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 80 167.207 21.115 1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 80 165.646 21.775 1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 80 164.886 19.373 0.787 1.00 0.00 H new ATOM 0 HG3 GLN A 80 166.386 18.850 1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 80 166.580 20.921 3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 80 165.310 20.612 4.724 1.00 0.00 H new ATOM 1241 N ASP A 81 167.776 18.995 -1.488 1.00 0.00 N ATOM 1242 CA ASP A 81 168.847 18.043 -1.776 1.00 0.00 C ATOM 1243 C ASP A 81 169.383 17.398 -0.500 1.00 0.00 C ATOM 1244 O ASP A 81 170.585 17.161 -0.371 1.00 0.00 O ATOM 1245 CB ASP A 81 169.985 18.740 -2.525 1.00 0.00 C ATOM 1246 CG ASP A 81 169.771 18.743 -4.026 1.00 0.00 C ATOM 1247 OD1 ASP A 81 168.600 18.764 -4.459 1.00 0.00 O ATOM 1248 OD2 ASP A 81 170.775 18.725 -4.769 1.00 0.00 O ATOM 0 H ASP A 81 166.912 18.823 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 81 168.430 17.254 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 81 170.074 19.767 -2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 81 170.927 18.241 -2.296 1.00 0.00 H new ATOM 1253 N GLU A 82 168.487 17.109 0.437 1.00 0.00 N ATOM 1254 CA GLU A 82 168.874 16.484 1.697 1.00 0.00 C ATOM 1255 C GLU A 82 168.628 14.974 1.641 1.00 0.00 C ATOM 1256 O GLU A 82 168.554 14.394 0.558 1.00 0.00 O ATOM 1257 CB GLU A 82 168.099 17.119 2.856 1.00 0.00 C ATOM 1258 CG GLU A 82 168.351 18.610 3.006 1.00 0.00 C ATOM 1259 CD GLU A 82 169.559 18.914 3.870 1.00 0.00 C ATOM 1260 OE1 GLU A 82 170.688 18.587 3.447 1.00 0.00 O ATOM 1261 OE2 GLU A 82 169.376 19.477 4.969 1.00 0.00 O ATOM 0 H GLU A 82 167.488 17.297 0.348 1.00 0.00 H new ATOM 0 HA GLU A 82 169.939 16.648 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 82 167.033 16.952 2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 82 168.372 16.617 3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 82 168.494 19.051 2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 82 167.470 19.081 3.441 1.00 0.00 H new ATOM 1268 N MET A 83 168.504 14.338 2.804 1.00 0.00 N ATOM 1269 CA MET A 83 168.268 12.900 2.862 1.00 0.00 C ATOM 1270 C MET A 83 167.765 12.483 4.240 1.00 0.00 C ATOM 1271 O MET A 83 168.047 11.379 4.706 1.00 0.00 O ATOM 1272 CB MET A 83 169.548 12.136 2.520 1.00 0.00 C ATOM 1273 CG MET A 83 169.304 10.690 2.120 1.00 0.00 C ATOM 1274 SD MET A 83 169.036 10.495 0.348 1.00 0.00 S ATOM 1275 CE MET A 83 167.896 9.114 0.329 1.00 0.00 C ATOM 0 H MET A 83 168.563 14.795 3.714 1.00 0.00 H new ATOM 0 HA MET A 83 167.501 12.656 2.128 1.00 0.00 H new ATOM 0 HB2 MET A 83 170.060 12.648 1.706 1.00 0.00 H new ATOM 0 HB3 MET A 83 170.216 12.158 3.381 1.00 0.00 H new ATOM 0 HG2 MET A 83 170.158 10.084 2.423 1.00 0.00 H new ATOM 0 HG3 MET A 83 168.436 10.310 2.659 1.00 0.00 H new ATOM 0 HE1 MET A 83 167.894 8.658 -0.661 1.00 0.00 H new ATOM 0 HE2 MET A 83 168.206 8.376 1.068 1.00 0.00 H new ATOM 0 HE3 MET A 83 166.893 9.467 0.568 1.00 0.00 H new ATOM 1285 N ASP A 84 167.017 13.372 4.885 1.00 0.00 N ATOM 1286 CA ASP A 84 166.472 13.093 6.209 1.00 0.00 C ATOM 1287 C ASP A 84 165.087 12.452 6.116 1.00 0.00 C ATOM 1288 O ASP A 84 164.462 12.157 7.135 1.00 0.00 O ATOM 1289 CB ASP A 84 166.395 14.380 7.032 1.00 0.00 C ATOM 1290 CG ASP A 84 165.695 15.501 6.289 1.00 0.00 C ATOM 1291 OD1 ASP A 84 164.564 15.279 5.808 1.00 0.00 O ATOM 1292 OD2 ASP A 84 166.277 16.602 6.190 1.00 0.00 O ATOM 0 H ASP A 84 166.775 14.290 4.513 1.00 0.00 H new ATOM 0 HA ASP A 84 167.141 12.389 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 84 165.867 14.181 7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 84 167.403 14.698 7.298 1.00 0.00 H new ATOM 1297 N ASP A 85 164.610 12.239 4.891 1.00 0.00 N ATOM 1298 CA ASP A 85 163.302 11.635 4.673 1.00 0.00 C ATOM 1299 C ASP A 85 163.434 10.334 3.887 1.00 0.00 C ATOM 1300 O ASP A 85 163.104 10.273 2.702 1.00 0.00 O ATOM 1301 CB ASP A 85 162.385 12.607 3.927 1.00 0.00 C ATOM 1302 CG ASP A 85 161.501 13.401 4.868 1.00 0.00 C ATOM 1303 OD1 ASP A 85 161.189 12.889 5.964 1.00 0.00 O ATOM 1304 OD2 ASP A 85 161.119 14.535 4.509 1.00 0.00 O ATOM 0 H ASP A 85 165.112 12.477 4.035 1.00 0.00 H new ATOM 0 HA ASP A 85 162.863 11.411 5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 85 162.991 13.293 3.336 1.00 0.00 H new ATOM 0 HB3 ASP A 85 161.760 12.050 3.228 1.00 0.00 H new ATOM 1309 N VAL A 86 163.922 9.297 4.557 1.00 0.00 N ATOM 1310 CA VAL A 86 164.104 7.997 3.928 1.00 0.00 C ATOM 1311 C VAL A 86 162.851 7.137 4.075 1.00 0.00 C ATOM 1312 O VAL A 86 162.136 7.227 5.073 1.00 0.00 O ATOM 1313 CB VAL A 86 165.311 7.249 4.533 1.00 0.00 C ATOM 1314 CG1 VAL A 86 165.201 7.198 6.048 1.00 0.00 C ATOM 1315 CG2 VAL A 86 165.435 5.849 3.948 1.00 0.00 C ATOM 0 H VAL A 86 164.199 9.333 5.538 1.00 0.00 H new ATOM 0 HA VAL A 86 164.292 8.175 2.869 1.00 0.00 H new ATOM 0 HB VAL A 86 166.217 7.798 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 86 166.060 6.667 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 86 165.178 8.213 6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 86 164.285 6.678 6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 86 166.293 5.344 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 86 164.529 5.283 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.571 5.916 2.869 1.00 0.00 H new ATOM 1325 N PHE A 87 162.598 6.299 3.076 1.00 0.00 N ATOM 1326 CA PHE A 87 161.440 5.413 3.089 1.00 0.00 C ATOM 1327 C PHE A 87 161.799 4.089 3.748 1.00 0.00 C ATOM 1328 O PHE A 87 161.025 3.536 4.530 1.00 0.00 O ATOM 1329 CB PHE A 87 160.947 5.161 1.663 1.00 0.00 C ATOM 1330 CG PHE A 87 160.091 6.264 1.115 1.00 0.00 C ATOM 1331 CD1 PHE A 87 159.085 6.823 1.882 1.00 0.00 C ATOM 1332 CD2 PHE A 87 160.296 6.742 -0.169 1.00 0.00 C ATOM 1333 CE1 PHE A 87 158.296 7.839 1.381 1.00 0.00 C ATOM 1334 CE2 PHE A 87 159.513 7.759 -0.677 1.00 0.00 C ATOM 1335 CZ PHE A 87 158.511 8.309 0.096 1.00 0.00 C ATOM 0 H PHE A 87 163.182 6.215 2.244 1.00 0.00 H new ATOM 0 HA PHE A 87 160.645 5.893 3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.809 5.023 1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.380 4.230 1.644 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.915 6.460 2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 87 161.077 6.314 -0.780 1.00 0.00 H new ATOM 0 HE1 PHE A 87 157.513 8.266 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 87 159.685 8.124 -1.679 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.896 9.104 -0.300 1.00 0.00 H new ATOM 1345 N ALA A 88 162.984 3.592 3.422 1.00 0.00 N ATOM 1346 CA ALA A 88 163.469 2.335 3.972 1.00 0.00 C ATOM 1347 C ALA A 88 164.988 2.275 3.910 1.00 0.00 C ATOM 1348 O ALA A 88 165.615 3.019 3.156 1.00 0.00 O ATOM 1349 CB ALA A 88 162.863 1.162 3.213 1.00 0.00 C ATOM 0 H ALA A 88 163.630 4.044 2.775 1.00 0.00 H new ATOM 0 HA ALA A 88 163.165 2.273 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 88 163.233 0.227 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.777 1.194 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 88 163.145 1.224 2.162 1.00 0.00 H new ATOM 1355 N LYS A 89 165.579 1.373 4.685 1.00 0.00 N ATOM 1356 CA LYS A 89 167.025 1.202 4.694 1.00 0.00 C ATOM 1357 C LYS A 89 167.350 -0.211 4.234 1.00 0.00 C ATOM 1358 O LYS A 89 166.606 -1.145 4.527 1.00 0.00 O ATOM 1359 CB LYS A 89 167.595 1.448 6.097 1.00 0.00 C ATOM 1360 CG LYS A 89 166.839 2.500 6.899 1.00 0.00 C ATOM 1361 CD LYS A 89 167.222 2.460 8.369 1.00 0.00 C ATOM 1362 CE LYS A 89 166.227 3.229 9.224 1.00 0.00 C ATOM 1363 NZ LYS A 89 166.781 3.549 10.569 1.00 0.00 N ATOM 0 H LYS A 89 165.077 0.748 5.316 1.00 0.00 H new ATOM 0 HA LYS A 89 167.479 1.927 4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 89 167.587 0.509 6.651 1.00 0.00 H new ATOM 0 HB3 LYS A 89 168.637 1.755 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 89 167.050 3.490 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 89 165.766 2.336 6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 89 167.269 1.424 8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 89 168.218 2.883 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 89 165.950 4.153 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 89 165.316 2.642 9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 166.313 4.398 10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 166.615 2.749 11.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 167.803 3.724 10.491 1.00 0.00 H new ATOM 1377 N PHE A 90 168.437 -0.373 3.493 1.00 0.00 N ATOM 1378 CA PHE A 90 168.802 -1.688 2.985 1.00 0.00 C ATOM 1379 C PHE A 90 170.208 -2.094 3.399 1.00 0.00 C ATOM 1380 O PHE A 90 171.144 -1.299 3.332 1.00 0.00 O ATOM 1381 CB PHE A 90 168.677 -1.704 1.462 1.00 0.00 C ATOM 1382 CG PHE A 90 167.272 -1.468 0.985 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.628 -0.272 1.258 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.592 -2.445 0.275 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.333 -0.052 0.830 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.295 -2.231 -0.154 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.665 -1.033 0.125 1.00 0.00 C ATOM 0 H PHE A 90 169.075 0.379 3.233 1.00 0.00 H new ATOM 0 HA PHE A 90 168.115 -2.414 3.421 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.331 -0.940 1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 90 169.026 -2.665 1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.145 0.498 1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 90 167.080 -3.383 0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 90 164.844 0.886 1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.775 -2.999 -0.707 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.652 -0.865 -0.208 1.00 0.00 H new ATOM 1397 N LEU A 91 170.345 -3.350 3.810 1.00 0.00 N ATOM 1398 CA LEU A 91 171.632 -3.892 4.219 1.00 0.00 C ATOM 1399 C LEU A 91 171.986 -5.094 3.353 1.00 0.00 C ATOM 1400 O LEU A 91 171.214 -6.053 3.263 1.00 0.00 O ATOM 1401 CB LEU A 91 171.603 -4.309 5.690 1.00 0.00 C ATOM 1402 CG LEU A 91 171.014 -3.279 6.653 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.887 -3.877 8.044 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.874 -2.024 6.684 1.00 0.00 C ATOM 0 H LEU A 91 169.573 -4.015 3.868 1.00 0.00 H new ATOM 0 HA LEU A 91 172.387 -3.116 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 91 171.030 -5.232 5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 91 172.621 -4.536 6.006 1.00 0.00 H new ATOM 0 HG LEU A 91 170.020 -3.001 6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 91 170.466 -3.135 8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 91 170.232 -4.747 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 91 171.871 -4.179 8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 91 171.439 -1.302 7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.881 -2.281 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.919 -1.589 5.686 1.00 0.00 H new ATOM 1416 N ILE A 92 173.152 -5.039 2.717 1.00 0.00 N ATOM 1417 CA ILE A 92 173.602 -6.126 1.856 1.00 0.00 C ATOM 1418 C ILE A 92 174.908 -6.720 2.365 1.00 0.00 C ATOM 1419 O ILE A 92 175.908 -6.017 2.507 1.00 0.00 O ATOM 1420 CB ILE A 92 173.807 -5.669 0.389 1.00 0.00 C ATOM 1421 CG1 ILE A 92 173.649 -4.152 0.256 1.00 0.00 C ATOM 1422 CG2 ILE A 92 172.841 -6.395 -0.540 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.225 -3.683 0.421 1.00 0.00 C ATOM 0 H ILE A 92 173.801 -4.255 2.782 1.00 0.00 H new ATOM 0 HA ILE A 92 172.814 -6.878 1.881 1.00 0.00 H new ATOM 0 HB ILE A 92 174.825 -5.926 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 92 174.274 -3.662 1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 92 174.016 -3.840 -0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 92 173.001 -6.060 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 92 173.015 -7.469 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 92 171.816 -6.175 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.184 -2.599 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 92 171.599 -4.146 -0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.861 -3.965 1.409 1.00 0.00 H new ATOM 1435 N SER A 93 174.898 -8.022 2.623 1.00 0.00 N ATOM 1436 CA SER A 93 176.090 -8.709 3.096 1.00 0.00 C ATOM 1437 C SER A 93 177.158 -8.708 2.010 1.00 0.00 C ATOM 1438 O SER A 93 176.898 -9.095 0.871 1.00 0.00 O ATOM 1439 CB SER A 93 175.757 -10.145 3.505 1.00 0.00 C ATOM 1440 OG SER A 93 176.570 -10.571 4.584 1.00 0.00 O ATOM 0 H SER A 93 174.080 -8.621 2.513 1.00 0.00 H new ATOM 0 HA SER A 93 176.471 -8.181 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 93 174.707 -10.211 3.789 1.00 0.00 H new ATOM 0 HB3 SER A 93 175.899 -10.811 2.654 1.00 0.00 H new ATOM 0 HG SER A 93 176.488 -9.936 5.326 1.00 0.00 H new ATOM 1446 N HIS A 94 178.355 -8.261 2.364 1.00 0.00 N ATOM 1447 CA HIS A 94 179.456 -8.200 1.410 1.00 0.00 C ATOM 1448 C HIS A 94 180.049 -9.583 1.141 1.00 0.00 C ATOM 1449 O HIS A 94 180.929 -9.733 0.294 1.00 0.00 O ATOM 1450 CB HIS A 94 180.539 -7.248 1.916 1.00 0.00 C ATOM 1451 CG HIS A 94 180.060 -5.835 2.056 1.00 0.00 C ATOM 1452 ND1 HIS A 94 179.933 -4.979 0.984 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.677 -5.126 3.147 1.00 0.00 C ATOM 1454 CE1 HIS A 94 179.498 -3.806 1.407 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.335 -3.869 2.714 1.00 0.00 N ATOM 0 H HIS A 94 178.589 -7.936 3.302 1.00 0.00 H new ATOM 0 HA HIS A 94 179.058 -7.823 0.468 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.902 -7.600 2.882 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.385 -7.272 1.230 1.00 0.00 H new ATOM 0 HD2 HIS A 94 179.647 -5.483 4.166 1.00 0.00 H new ATOM 0 HE1 HIS A 94 179.308 -2.942 0.788 1.00 0.00 H new ATOM 0 HE2 HIS A 94 179.008 -3.107 3.307 1.00 0.00 H new ATOM 1464 N ARG A 95 179.561 -10.594 1.857 1.00 0.00 N ATOM 1465 CA ARG A 95 180.046 -11.957 1.678 1.00 0.00 C ATOM 1466 C ARG A 95 179.286 -12.653 0.553 1.00 0.00 C ATOM 1467 O ARG A 95 178.073 -12.850 0.638 1.00 0.00 O ATOM 1468 CB ARG A 95 179.901 -12.749 2.979 1.00 0.00 C ATOM 1469 CG ARG A 95 181.176 -12.795 3.807 1.00 0.00 C ATOM 1470 CD ARG A 95 181.656 -14.223 4.020 1.00 0.00 C ATOM 1471 NE ARG A 95 182.164 -14.435 5.373 1.00 0.00 N ATOM 1472 CZ ARG A 95 182.920 -15.471 5.727 1.00 0.00 C ATOM 1473 NH1 ARG A 95 183.259 -16.391 4.832 1.00 0.00 N ATOM 1474 NH2 ARG A 95 183.339 -15.588 6.980 1.00 0.00 N ATOM 0 H ARG A 95 178.832 -10.494 2.564 1.00 0.00 H new ATOM 0 HA ARG A 95 181.101 -11.913 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 95 179.104 -12.307 3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 95 179.594 -13.768 2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 95 181.955 -12.220 3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 95 181.000 -12.322 4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 95 180.835 -14.914 3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 95 182.440 -14.453 3.299 1.00 0.00 H new ATOM 0 HE ARG A 95 181.925 -13.748 6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 95 182.940 -16.306 3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 95 183.839 -17.183 5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 95 183.082 -14.884 7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 95 183.919 -16.382 7.252 1.00 0.00 H new ATOM 1488 N GLU A 96 180.006 -13.019 -0.503 1.00 0.00 N ATOM 1489 CA GLU A 96 179.401 -13.689 -1.651 1.00 0.00 C ATOM 1490 C GLU A 96 178.606 -14.918 -1.219 1.00 0.00 C ATOM 1491 O GLU A 96 177.522 -15.182 -1.739 1.00 0.00 O ATOM 1492 CB GLU A 96 180.483 -14.092 -2.656 1.00 0.00 C ATOM 1493 CG GLU A 96 180.129 -13.756 -4.096 1.00 0.00 C ATOM 1494 CD GLU A 96 180.344 -14.924 -5.039 1.00 0.00 C ATOM 1495 OE1 GLU A 96 180.225 -16.082 -4.587 1.00 0.00 O ATOM 1496 OE2 GLU A 96 180.630 -14.680 -6.230 1.00 0.00 O ATOM 0 H GLU A 96 181.010 -12.863 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 96 178.712 -12.989 -2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 96 181.416 -13.593 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 96 180.662 -15.164 -2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 96 179.087 -13.441 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 96 180.733 -12.911 -4.427 1.00 0.00 H new ATOM 1503 N GLU A 97 179.150 -15.666 -0.265 1.00 0.00 N ATOM 1504 CA GLU A 97 178.490 -16.864 0.235 1.00 0.00 C ATOM 1505 C GLU A 97 177.260 -16.493 1.064 1.00 0.00 C ATOM 1506 O GLU A 97 177.226 -15.442 1.704 1.00 0.00 O ATOM 1507 CB GLU A 97 179.483 -17.697 1.061 1.00 0.00 C ATOM 1508 CG GLU A 97 178.899 -18.301 2.330 1.00 0.00 C ATOM 1509 CD GLU A 97 179.738 -19.441 2.873 1.00 0.00 C ATOM 1510 OE1 GLU A 97 180.890 -19.188 3.281 1.00 0.00 O ATOM 1511 OE2 GLU A 97 179.242 -20.587 2.890 1.00 0.00 O ATOM 0 H GLU A 97 180.047 -15.463 0.177 1.00 0.00 H new ATOM 0 HA GLU A 97 178.152 -17.464 -0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 97 179.871 -18.502 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 97 180.330 -17.066 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 97 178.812 -17.525 3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 97 177.891 -18.662 2.126 1.00 0.00 H new ATOM 1518 N ASP A 98 176.255 -17.365 1.047 1.00 0.00 N ATOM 1519 CA ASP A 98 175.021 -17.134 1.796 1.00 0.00 C ATOM 1520 C ASP A 98 174.226 -15.975 1.199 1.00 0.00 C ATOM 1521 O ASP A 98 173.125 -16.165 0.682 1.00 0.00 O ATOM 1522 CB ASP A 98 175.333 -16.853 3.269 1.00 0.00 C ATOM 1523 CG ASP A 98 174.887 -17.980 4.180 1.00 0.00 C ATOM 1524 OD1 ASP A 98 173.819 -18.570 3.914 1.00 0.00 O ATOM 1525 OD2 ASP A 98 175.605 -18.271 5.160 1.00 0.00 O ATOM 0 H ASP A 98 176.270 -18.239 0.522 1.00 0.00 H new ATOM 0 HA ASP A 98 174.414 -18.037 1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.405 -16.697 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 98 174.841 -15.929 3.572 1.00 0.00 H new ATOM 1530 N ARG A 99 174.793 -14.776 1.275 1.00 0.00 N ATOM 1531 CA ARG A 99 174.143 -13.583 0.746 1.00 0.00 C ATOM 1532 C ARG A 99 172.820 -13.317 1.466 1.00 0.00 C ATOM 1533 O ARG A 99 171.773 -13.829 1.072 1.00 0.00 O ATOM 1534 CB ARG A 99 173.919 -13.728 -0.768 1.00 0.00 C ATOM 1535 CG ARG A 99 173.005 -12.668 -1.377 1.00 0.00 C ATOM 1536 CD ARG A 99 173.715 -11.333 -1.561 1.00 0.00 C ATOM 1537 NE ARG A 99 172.923 -10.225 -1.036 1.00 0.00 N ATOM 1538 CZ ARG A 99 172.927 -9.854 0.240 1.00 0.00 C ATOM 1539 NH1 ARG A 99 173.748 -10.434 1.103 1.00 0.00 N ATOM 1540 NH2 ARG A 99 172.129 -8.881 0.649 1.00 0.00 N ATOM 0 H ARG A 99 175.705 -14.604 1.699 1.00 0.00 H new ATOM 0 HA ARG A 99 174.797 -12.728 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 99 174.885 -13.689 -1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 99 173.496 -14.713 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 99 172.638 -13.018 -2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 99 172.135 -12.529 -0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 99 174.681 -11.362 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 99 173.914 -11.169 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 99 172.333 -9.706 -1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 99 174.381 -11.169 0.789 1.00 0.00 H new ATOM 0 HH12 ARG A 99 173.747 -10.145 2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 99 171.511 -8.415 -0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 99 172.132 -8.596 1.629 1.00 0.00 H new ATOM 1554 N GLU A 100 172.879 -12.510 2.525 1.00 0.00 N ATOM 1555 CA GLU A 100 171.689 -12.170 3.303 1.00 0.00 C ATOM 1556 C GLU A 100 171.357 -10.685 3.170 1.00 0.00 C ATOM 1557 O GLU A 100 172.252 -9.847 3.054 1.00 0.00 O ATOM 1558 CB GLU A 100 171.897 -12.526 4.776 1.00 0.00 C ATOM 1559 CG GLU A 100 171.939 -14.022 5.041 1.00 0.00 C ATOM 1560 CD GLU A 100 170.612 -14.701 4.762 1.00 0.00 C ATOM 1561 OE1 GLU A 100 170.299 -14.926 3.574 1.00 0.00 O ATOM 1562 OE2 GLU A 100 169.887 -15.008 5.732 1.00 0.00 O ATOM 0 H GLU A 100 173.739 -12.079 2.864 1.00 0.00 H new ATOM 0 HA GLU A 100 170.853 -12.749 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.829 -12.078 5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 100 171.093 -12.084 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 100 172.712 -14.475 4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 100 172.220 -14.196 6.080 1.00 0.00 H new ATOM 1569 N PHE A 101 170.065 -10.363 3.182 1.00 0.00 N ATOM 1570 CA PHE A 101 169.626 -8.977 3.054 1.00 0.00 C ATOM 1571 C PHE A 101 168.487 -8.651 4.018 1.00 0.00 C ATOM 1572 O PHE A 101 167.611 -9.479 4.264 1.00 0.00 O ATOM 1573 CB PHE A 101 169.176 -8.699 1.617 1.00 0.00 C ATOM 1574 CG PHE A 101 167.884 -9.374 1.246 1.00 0.00 C ATOM 1575 CD1 PHE A 101 166.669 -8.752 1.481 1.00 0.00 C ATOM 1576 CD2 PHE A 101 167.888 -10.629 0.660 1.00 0.00 C ATOM 1577 CE1 PHE A 101 165.481 -9.370 1.139 1.00 0.00 C ATOM 1578 CE2 PHE A 101 166.704 -11.252 0.316 1.00 0.00 C ATOM 1579 CZ PHE A 101 165.498 -10.622 0.556 1.00 0.00 C ATOM 0 H PHE A 101 169.308 -11.040 3.279 1.00 0.00 H new ATOM 0 HA PHE A 101 170.474 -8.340 3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 101 169.065 -7.623 1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 101 169.957 -9.027 0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 101 166.650 -7.773 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 101 168.828 -11.126 0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 101 164.540 -8.874 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 101 166.721 -12.231 -0.140 1.00 0.00 H new ATOM 0 HZ PHE A 101 164.571 -11.107 0.288 1.00 0.00 H new ATOM 1589 N HIS A 102 168.498 -7.426 4.541 1.00 0.00 N ATOM 1590 CA HIS A 102 167.455 -6.975 5.454 1.00 0.00 C ATOM 1591 C HIS A 102 167.058 -5.536 5.130 1.00 0.00 C ATOM 1592 O HIS A 102 167.869 -4.759 4.626 1.00 0.00 O ATOM 1593 CB HIS A 102 167.866 -7.100 6.936 1.00 0.00 C ATOM 1594 CG HIS A 102 169.338 -7.266 7.220 1.00 0.00 C ATOM 1595 ND1 HIS A 102 169.875 -7.024 8.469 1.00 0.00 N ATOM 1596 CD2 HIS A 102 170.380 -7.669 6.446 1.00 0.00 C ATOM 1597 CE1 HIS A 102 171.173 -7.268 8.449 1.00 0.00 C ATOM 1598 NE2 HIS A 102 171.503 -7.660 7.235 1.00 0.00 N ATOM 0 H HIS A 102 169.218 -6.730 4.347 1.00 0.00 H new ATOM 0 HA HIS A 102 166.597 -7.631 5.309 1.00 0.00 H new ATOM 0 HB2 HIS A 102 167.516 -6.212 7.462 1.00 0.00 H new ATOM 0 HB3 HIS A 102 167.339 -7.952 7.364 1.00 0.00 H new ATOM 0 HD2 HIS A 102 170.333 -7.945 5.403 1.00 0.00 H new ATOM 0 HE1 HIS A 102 171.849 -7.164 9.285 1.00 0.00 H new ATOM 0 HE2 HIS A 102 172.442 -7.916 6.931 1.00 0.00 H new ATOM 1607 N VAL A 103 165.802 -5.190 5.405 1.00 0.00 N ATOM 1608 CA VAL A 103 165.309 -3.846 5.116 1.00 0.00 C ATOM 1609 C VAL A 103 164.211 -3.402 6.078 1.00 0.00 C ATOM 1610 O VAL A 103 163.349 -4.191 6.465 1.00 0.00 O ATOM 1611 CB VAL A 103 164.765 -3.754 3.677 1.00 0.00 C ATOM 1612 CG1 VAL A 103 163.508 -4.599 3.521 1.00 0.00 C ATOM 1613 CG2 VAL A 103 164.490 -2.307 3.295 1.00 0.00 C ATOM 0 H VAL A 103 165.113 -5.815 5.824 1.00 0.00 H new ATOM 0 HA VAL A 103 166.165 -3.183 5.239 1.00 0.00 H new ATOM 0 HB VAL A 103 165.526 -4.146 3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 103 163.141 -4.520 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.740 -5.641 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.742 -4.243 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 103 164.107 -2.266 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.752 -1.885 3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 103 165.414 -1.732 3.359 1.00 0.00 H new ATOM 1623 N ILE A 104 164.240 -2.121 6.437 1.00 0.00 N ATOM 1624 CA ILE A 104 163.235 -1.552 7.331 1.00 0.00 C ATOM 1625 C ILE A 104 162.332 -0.582 6.581 1.00 0.00 C ATOM 1626 O ILE A 104 162.799 0.215 5.769 1.00 0.00 O ATOM 1627 CB ILE A 104 163.857 -0.810 8.531 1.00 0.00 C ATOM 1628 CG1 ILE A 104 165.208 -0.188 8.154 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.992 -1.751 9.718 1.00 0.00 C ATOM 1630 CD1 ILE A 104 166.365 -1.163 8.173 1.00 0.00 C ATOM 0 H ILE A 104 164.948 -1.458 6.123 1.00 0.00 H new ATOM 0 HA ILE A 104 162.658 -2.396 7.709 1.00 0.00 H new ATOM 0 HB ILE A 104 163.193 0.006 8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 104 165.130 0.247 7.158 1.00 0.00 H new ATOM 0 HG13 ILE A 104 165.424 0.629 8.842 1.00 0.00 H new ATOM 0 HG21 ILE A 104 164.432 -1.215 10.559 1.00 0.00 H new ATOM 0 HG22 ILE A 104 163.007 -2.124 10.001 1.00 0.00 H new ATOM 0 HG23 ILE A 104 164.633 -2.590 9.446 1.00 0.00 H new ATOM 0 HD11 ILE A 104 167.283 -0.644 7.895 1.00 0.00 H new ATOM 0 HD12 ILE A 104 166.473 -1.580 9.174 1.00 0.00 H new ATOM 0 HD13 ILE A 104 166.174 -1.968 7.463 1.00 0.00 H new ATOM 1642 N TRP A 105 161.039 -0.653 6.865 1.00 0.00 N ATOM 1643 CA TRP A 105 160.066 0.225 6.220 1.00 0.00 C ATOM 1644 C TRP A 105 159.440 1.180 7.231 1.00 0.00 C ATOM 1645 O TRP A 105 159.257 0.833 8.398 1.00 0.00 O ATOM 1646 CB TRP A 105 158.974 -0.599 5.539 1.00 0.00 C ATOM 1647 CG TRP A 105 159.514 -1.694 4.667 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.645 -3.011 5.000 1.00 0.00 C ATOM 1649 CD2 TRP A 105 160.000 -1.569 3.322 1.00 0.00 C ATOM 1650 NE1 TRP A 105 160.176 -3.714 3.947 1.00 0.00 N ATOM 1651 CE2 TRP A 105 160.403 -2.853 2.906 1.00 0.00 C ATOM 1652 CE3 TRP A 105 160.132 -0.501 2.426 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.928 -3.096 1.639 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.653 -0.745 1.171 1.00 0.00 C ATOM 1655 CH2 TRP A 105 161.044 -2.033 0.787 1.00 0.00 C ATOM 0 H TRP A 105 160.637 -1.308 7.536 1.00 0.00 H new ATOM 0 HA TRP A 105 160.591 0.813 5.467 1.00 0.00 H new ATOM 0 HB2 TRP A 105 158.329 -1.036 6.302 1.00 0.00 H new ATOM 0 HB3 TRP A 105 158.352 0.063 4.936 1.00 0.00 H new ATOM 0 HD1 TRP A 105 159.371 -3.438 5.953 1.00 0.00 H new ATOM 0 HE1 TRP A 105 160.370 -4.715 3.941 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.831 0.496 2.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 161.232 -4.088 1.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.761 0.072 0.473 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.446 -2.190 -0.203 1.00 0.00 H new ATOM 1666 N LYS A 106 159.112 2.384 6.774 1.00 0.00 N ATOM 1667 CA LYS A 106 158.505 3.390 7.637 1.00 0.00 C ATOM 1668 C LYS A 106 157.053 3.038 7.945 1.00 0.00 C ATOM 1669 O LYS A 106 156.383 2.375 7.153 1.00 0.00 O ATOM 1670 CB LYS A 106 158.582 4.770 6.978 1.00 0.00 C ATOM 1671 CG LYS A 106 158.981 5.880 7.937 1.00 0.00 C ATOM 1672 CD LYS A 106 158.294 7.193 7.591 1.00 0.00 C ATOM 1673 CE LYS A 106 159.279 8.209 7.034 1.00 0.00 C ATOM 1674 NZ LYS A 106 159.954 8.978 8.115 1.00 0.00 N ATOM 0 H LYS A 106 159.257 2.687 5.811 1.00 0.00 H new ATOM 0 HA LYS A 106 159.060 3.412 8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 106 159.300 4.733 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 106 157.613 5.010 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 106 158.723 5.591 8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 106 160.062 6.016 7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 106 157.506 7.011 6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 106 157.815 7.600 8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 106 160.028 7.696 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 106 158.755 8.898 6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 160.617 9.660 7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 159.241 9.489 8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 160.476 8.324 8.733 1.00 0.00 H new ATOM 1688 N LYS A 107 156.574 3.486 9.100 1.00 0.00 N ATOM 1689 CA LYS A 107 155.201 3.218 9.513 1.00 0.00 C ATOM 1690 C LYS A 107 154.635 4.386 10.314 1.00 0.00 C ATOM 1691 O LYS A 107 155.190 4.687 11.391 1.00 0.00 O ATOM 1692 CB LYS A 107 155.138 1.935 10.345 1.00 0.00 C ATOM 1693 CG LYS A 107 156.184 1.872 11.447 1.00 0.00 C ATOM 1694 CD LYS A 107 156.618 0.441 11.723 1.00 0.00 C ATOM 1695 CE LYS A 107 158.131 0.326 11.823 1.00 0.00 C ATOM 1696 NZ LYS A 107 158.632 -0.950 11.240 1.00 0.00 N ATOM 1697 OXT LYS A 107 153.642 4.990 9.856 1.00 0.00 O ATOM 0 H LYS A 107 157.115 4.036 9.767 1.00 0.00 H new ATOM 0 HA LYS A 107 154.596 3.091 8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 107 154.147 1.849 10.791 1.00 0.00 H new ATOM 0 HB3 LYS A 107 155.266 1.077 9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 107 157.051 2.468 11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 107 155.781 2.313 12.358 1.00 0.00 H new ATOM 0 HD2 LYS A 107 156.164 0.095 12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 107 156.254 -0.210 10.928 1.00 0.00 H new ATOM 0 HE2 LYS A 107 158.594 1.167 11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 107 158.431 0.390 12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 159.668 -0.989 11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 158.211 -1.753 11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 158.368 -1.000 10.235 1.00 0.00 H new