USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 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 22 THR OG1 : rot 180:sc= -0.0402 USER MOD Set 1.2: A 25 MET CE :methyl 180:sc= -0.0771 (180deg=-0.0404) USER MOD Single : A 8 SER OG : rot -170:sc= 0.0915 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 100:sc= 1.23 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 1.04 (180deg=0.856) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 150:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.086) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= 1.08 (180deg=0.409) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.37 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -169:sc= 0 (180deg=-0.0725) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.243 -4.760 -1.840 1.00 0.00 N ATOM 60 CA GLY A 7 -12.742 -3.404 -1.873 1.00 0.00 C ATOM 61 C GLY A 7 -11.231 -3.386 -2.035 1.00 0.00 C ATOM 62 O GLY A 7 -10.575 -4.422 -2.174 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.206 -2.861 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.019 -2.888 -0.954 1.00 0.00 H new ATOM 66 N SER A 8 -10.673 -2.188 -1.960 1.00 0.00 N ATOM 67 CA SER A 8 -9.256 -1.959 -2.111 1.00 0.00 C ATOM 68 C SER A 8 -8.805 -0.866 -1.151 1.00 0.00 C ATOM 69 O SER A 8 -9.630 -0.094 -0.641 1.00 0.00 O ATOM 70 CB SER A 8 -9.042 -1.569 -3.577 1.00 0.00 C ATOM 71 OG SER A 8 -9.860 -0.477 -3.975 1.00 0.00 O ATOM 0 H SER A 8 -11.207 -1.336 -1.789 1.00 0.00 H new ATOM 0 HA SER A 8 -8.664 -2.842 -1.870 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.995 -1.309 -3.731 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.254 -2.428 -4.213 1.00 0.00 H new ATOM 0 HG SER A 8 -9.803 -0.363 -4.947 1.00 0.00 H new ATOM 77 N VAL A 9 -7.511 -0.835 -0.856 1.00 0.00 N ATOM 78 CA VAL A 9 -6.917 0.162 0.015 1.00 0.00 C ATOM 79 C VAL A 9 -6.642 1.372 -0.875 1.00 0.00 C ATOM 80 O VAL A 9 -5.959 1.246 -1.896 1.00 0.00 O ATOM 81 CB VAL A 9 -5.630 -0.388 0.660 1.00 0.00 C ATOM 82 CG1 VAL A 9 -4.924 0.708 1.470 1.00 0.00 C ATOM 83 CG2 VAL A 9 -5.931 -1.576 1.589 1.00 0.00 C ATOM 0 H VAL A 9 -6.840 -1.511 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.573 0.434 0.842 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.983 -0.726 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.017 0.302 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.664 1.537 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.589 1.065 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.002 -1.940 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.606 -1.255 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.400 -2.376 1.016 1.00 0.00 H new ATOM 93 N VAL A 10 -7.168 2.534 -0.498 1.00 0.00 N ATOM 94 CA VAL A 10 -6.976 3.771 -1.237 1.00 0.00 C ATOM 95 C VAL A 10 -6.358 4.804 -0.289 1.00 0.00 C ATOM 96 O VAL A 10 -6.526 4.739 0.937 1.00 0.00 O ATOM 97 CB VAL A 10 -8.276 4.203 -1.961 1.00 0.00 C ATOM 98 CG1 VAL A 10 -8.730 3.116 -2.956 1.00 0.00 C ATOM 99 CG2 VAL A 10 -9.472 4.452 -1.032 1.00 0.00 C ATOM 0 H VAL A 10 -7.744 2.641 0.337 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.270 3.644 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.008 5.140 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.644 3.438 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.949 2.954 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.918 2.186 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.337 4.750 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.704 3.538 -0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.225 5.245 -0.326 1.00 0.00 H new ATOM 109 N ALA A 11 -5.550 5.692 -0.864 1.00 0.00 N ATOM 110 CA ALA A 11 -4.854 6.767 -0.184 1.00 0.00 C ATOM 111 C ALA A 11 -5.896 7.768 0.305 1.00 0.00 C ATOM 112 O ALA A 11 -6.552 8.426 -0.495 1.00 0.00 O ATOM 113 CB ALA A 11 -3.855 7.408 -1.148 1.00 0.00 C ATOM 0 H ALA A 11 -5.358 5.675 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.292 6.399 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.329 8.217 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.136 6.658 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.387 7.806 -2.012 1.00 0.00 H new ATOM 119 N LYS A 12 -6.075 7.868 1.618 1.00 0.00 N ATOM 120 CA LYS A 12 -7.046 8.772 2.232 1.00 0.00 C ATOM 121 C LYS A 12 -6.717 10.243 1.990 1.00 0.00 C ATOM 122 O LYS A 12 -7.595 11.094 2.098 1.00 0.00 O ATOM 123 CB LYS A 12 -7.058 8.466 3.729 1.00 0.00 C ATOM 124 CG LYS A 12 -8.243 9.075 4.476 1.00 0.00 C ATOM 125 CD LYS A 12 -8.215 8.499 5.888 1.00 0.00 C ATOM 126 CE LYS A 12 -9.335 9.075 6.739 1.00 0.00 C ATOM 127 NZ LYS A 12 -9.277 8.533 8.105 1.00 0.00 N ATOM 0 H LYS A 12 -5.545 7.319 2.295 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.025 8.609 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.070 7.385 3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.133 8.835 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.168 10.162 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.181 8.831 3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.310 7.414 5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.253 8.716 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.254 10.162 6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.299 8.839 6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.049 8.937 8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.376 7.498 8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.364 8.780 8.538 1.00 0.00 H new ATOM 141 N VAL A 13 -5.446 10.545 1.750 1.00 0.00 N ATOM 142 CA VAL A 13 -4.891 11.864 1.494 1.00 0.00 C ATOM 143 C VAL A 13 -3.696 11.671 0.558 1.00 0.00 C ATOM 144 O VAL A 13 -3.228 10.545 0.404 1.00 0.00 O ATOM 145 CB VAL A 13 -4.451 12.525 2.821 1.00 0.00 C ATOM 146 CG1 VAL A 13 -5.642 12.923 3.706 1.00 0.00 C ATOM 147 CG2 VAL A 13 -3.495 11.658 3.663 1.00 0.00 C ATOM 0 H VAL A 13 -4.728 9.821 1.728 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.631 12.520 1.036 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.915 13.417 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.276 13.382 4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.271 13.634 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.225 12.036 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.232 12.190 4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.985 10.718 3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.591 11.452 3.090 1.00 0.00 H new ATOM 157 N LYS A 14 -3.193 12.744 -0.054 1.00 0.00 N ATOM 158 CA LYS A 14 -2.041 12.695 -0.945 1.00 0.00 C ATOM 159 C LYS A 14 -0.828 12.272 -0.107 1.00 0.00 C ATOM 160 O LYS A 14 -0.597 12.862 0.950 1.00 0.00 O ATOM 161 CB LYS A 14 -1.879 14.087 -1.580 1.00 0.00 C ATOM 162 CG LYS A 14 -0.770 14.180 -2.635 1.00 0.00 C ATOM 163 CD LYS A 14 -0.764 15.569 -3.289 1.00 0.00 C ATOM 164 CE LYS A 14 0.285 15.618 -4.406 1.00 0.00 C ATOM 165 NZ LYS A 14 0.347 16.940 -5.059 1.00 0.00 N ATOM 0 H LYS A 14 -3.581 13.681 0.059 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.156 11.975 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.825 14.375 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.674 14.811 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.197 13.986 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.919 13.414 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.750 15.793 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.547 16.331 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.264 15.373 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.054 14.857 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.070 16.924 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.579 17.165 -5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.594 17.664 -4.354 1.00 0.00 H new ATOM 179 N ILE A 15 -0.055 11.281 -0.556 1.00 0.00 N ATOM 180 CA ILE A 15 1.126 10.770 0.139 1.00 0.00 C ATOM 181 C ILE A 15 2.326 11.000 -0.787 1.00 0.00 C ATOM 182 O ILE A 15 2.492 10.241 -1.742 1.00 0.00 O ATOM 183 CB ILE A 15 0.955 9.283 0.546 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.369 9.074 1.313 1.00 0.00 C ATOM 185 CG2 ILE A 15 2.172 8.826 1.378 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.629 7.648 1.793 1.00 0.00 C ATOM 0 H ILE A 15 -0.239 10.800 -1.436 1.00 0.00 H new ATOM 0 HA ILE A 15 1.281 11.299 1.079 1.00 0.00 H new ATOM 0 HB ILE A 15 0.907 8.670 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.377 9.738 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.194 9.379 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.047 7.781 1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.080 8.935 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.250 9.439 2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.583 7.609 2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.660 6.975 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.170 7.340 2.467 1.00 0.00 H new ATOM 198 N PRO A 16 3.155 12.034 -0.565 1.00 0.00 N ATOM 199 CA PRO A 16 4.303 12.298 -1.420 1.00 0.00 C ATOM 200 C PRO A 16 5.372 11.216 -1.306 1.00 0.00 C ATOM 201 O PRO A 16 5.508 10.579 -0.255 1.00 0.00 O ATOM 202 CB PRO A 16 4.852 13.658 -0.987 1.00 0.00 C ATOM 203 CG PRO A 16 4.353 13.838 0.448 1.00 0.00 C ATOM 204 CD PRO A 16 3.079 12.999 0.518 1.00 0.00 C ATOM 0 HA PRO A 16 4.002 12.300 -2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.941 13.679 -1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.490 14.456 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.093 13.496 1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.151 14.886 0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.000 12.495 1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.195 13.628 0.414 1.00 0.00 H new ATOM 212 N GLU A 17 6.157 11.037 -2.370 1.00 0.00 N ATOM 213 CA GLU A 17 7.233 10.053 -2.362 1.00 0.00 C ATOM 214 C GLU A 17 8.186 10.382 -1.215 1.00 0.00 C ATOM 215 O GLU A 17 8.453 11.543 -0.892 1.00 0.00 O ATOM 216 CB GLU A 17 7.979 9.989 -3.705 1.00 0.00 C ATOM 217 CG GLU A 17 9.171 9.002 -3.780 1.00 0.00 C ATOM 218 CD GLU A 17 10.495 9.473 -3.147 1.00 0.00 C ATOM 219 OE1 GLU A 17 10.884 10.650 -3.319 1.00 0.00 O ATOM 220 OE2 GLU A 17 11.180 8.631 -2.520 1.00 0.00 O ATOM 0 H GLU A 17 6.066 11.559 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 17 6.800 9.064 -2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.263 9.721 -4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.346 10.988 -3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.874 8.071 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.357 8.771 -4.829 1.00 0.00 H new ATOM 227 N GLY A 18 8.740 9.333 -0.632 1.00 0.00 N ATOM 228 CA GLY A 18 9.681 9.425 0.478 1.00 0.00 C ATOM 229 C GLY A 18 8.943 9.501 1.816 1.00 0.00 C ATOM 230 O GLY A 18 9.499 9.979 2.804 1.00 0.00 O ATOM 0 H GLY A 18 8.547 8.374 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.342 8.559 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.310 10.307 0.355 1.00 0.00 H new ATOM 234 N THR A 19 7.679 9.076 1.856 1.00 0.00 N ATOM 235 CA THR A 19 6.819 9.059 3.031 1.00 0.00 C ATOM 236 C THR A 19 6.455 7.599 3.322 1.00 0.00 C ATOM 237 O THR A 19 6.480 6.741 2.429 1.00 0.00 O ATOM 238 CB THR A 19 5.582 9.938 2.765 1.00 0.00 C ATOM 239 OG1 THR A 19 5.987 11.206 2.302 1.00 0.00 O ATOM 240 CG2 THR A 19 4.693 10.188 3.984 1.00 0.00 C ATOM 0 H THR A 19 7.208 8.717 1.026 1.00 0.00 H new ATOM 0 HA THR A 19 7.319 9.470 3.908 1.00 0.00 H new ATOM 0 HB THR A 19 5.001 9.376 2.033 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.903 11.240 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.850 10.816 3.697 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.323 9.236 4.366 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.272 10.690 4.759 1.00 0.00 H new ATOM 248 N ILE A 20 6.106 7.305 4.571 1.00 0.00 N ATOM 249 CA ILE A 20 5.731 5.978 5.013 1.00 0.00 C ATOM 250 C ILE A 20 4.209 5.908 5.117 1.00 0.00 C ATOM 251 O ILE A 20 3.562 6.890 5.482 1.00 0.00 O ATOM 252 CB ILE A 20 6.426 5.699 6.358 1.00 0.00 C ATOM 253 CG1 ILE A 20 7.941 5.994 6.292 1.00 0.00 C ATOM 254 CG2 ILE A 20 6.166 4.253 6.800 1.00 0.00 C ATOM 255 CD1 ILE A 20 8.719 5.152 5.276 1.00 0.00 C ATOM 0 H ILE A 20 6.077 8.002 5.315 1.00 0.00 H new ATOM 0 HA ILE A 20 6.049 5.212 4.306 1.00 0.00 H new ATOM 0 HB ILE A 20 6.001 6.373 7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.081 7.048 6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.371 5.833 7.281 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.663 4.069 7.752 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.094 4.095 6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.556 3.567 6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.772 5.431 5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.617 4.096 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.322 5.330 4.276 1.00 0.00 H new ATOM 267 N LEU A 21 3.633 4.761 4.767 1.00 0.00 N ATOM 268 CA LEU A 21 2.202 4.523 4.830 1.00 0.00 C ATOM 269 C LEU A 21 1.817 4.299 6.283 1.00 0.00 C ATOM 270 O LEU A 21 2.474 3.533 6.992 1.00 0.00 O ATOM 271 CB LEU A 21 1.817 3.285 4.005 1.00 0.00 C ATOM 272 CG LEU A 21 1.771 3.513 2.486 1.00 0.00 C ATOM 273 CD1 LEU A 21 1.296 2.242 1.780 1.00 0.00 C ATOM 274 CD2 LEU A 21 0.835 4.670 2.127 1.00 0.00 C ATOM 0 H LEU A 21 4.162 3.958 4.426 1.00 0.00 H new ATOM 0 HA LEU A 21 1.676 5.385 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.530 2.488 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.839 2.935 4.336 1.00 0.00 H new ATOM 0 HG LEU A 21 2.779 3.766 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.266 2.413 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.984 1.425 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.299 1.981 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.824 4.807 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.173 4.444 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.187 5.584 2.605 1.00 0.00 H new ATOM 286 N THR A 22 0.724 4.913 6.718 1.00 0.00 N ATOM 287 CA THR A 22 0.214 4.809 8.075 1.00 0.00 C ATOM 288 C THR A 22 -1.276 4.477 8.002 1.00 0.00 C ATOM 289 O THR A 22 -1.935 4.746 6.989 1.00 0.00 O ATOM 290 CB THR A 22 0.466 6.141 8.814 1.00 0.00 C ATOM 291 OG1 THR A 22 -0.187 7.195 8.130 1.00 0.00 O ATOM 292 CG2 THR A 22 1.960 6.473 8.924 1.00 0.00 C ATOM 0 H THR A 22 0.155 5.512 6.120 1.00 0.00 H new ATOM 0 HA THR A 22 0.722 4.019 8.629 1.00 0.00 H new ATOM 0 HB THR A 22 0.070 6.030 9.823 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.027 8.039 8.601 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.085 7.419 9.451 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.469 5.681 9.473 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.389 6.555 7.925 1.00 0.00 H new ATOM 300 N MET A 23 -1.831 3.909 9.075 1.00 0.00 N ATOM 301 CA MET A 23 -3.250 3.575 9.143 1.00 0.00 C ATOM 302 C MET A 23 -4.089 4.858 9.053 1.00 0.00 C ATOM 303 O MET A 23 -5.273 4.791 8.718 1.00 0.00 O ATOM 304 CB MET A 23 -3.575 2.869 10.473 1.00 0.00 C ATOM 305 CG MET A 23 -3.257 1.376 10.490 1.00 0.00 C ATOM 306 SD MET A 23 -4.270 0.407 9.337 1.00 0.00 S ATOM 307 CE MET A 23 -3.785 -1.270 9.828 1.00 0.00 C ATOM 0 H MET A 23 -1.309 3.669 9.918 1.00 0.00 H new ATOM 0 HA MET A 23 -3.486 2.911 8.312 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.018 3.356 11.274 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.634 3.005 10.693 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.205 1.234 10.244 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.403 0.993 11.500 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.318 -1.997 9.215 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.711 -1.394 9.687 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.034 -1.428 10.877 1.00 0.00 H new ATOM 317 N ASP A 24 -3.499 6.018 9.349 1.00 0.00 N ATOM 318 CA ASP A 24 -4.129 7.335 9.338 1.00 0.00 C ATOM 319 C ASP A 24 -4.257 7.957 7.946 1.00 0.00 C ATOM 320 O ASP A 24 -5.079 8.854 7.774 1.00 0.00 O ATOM 321 CB ASP A 24 -3.298 8.279 10.213 1.00 0.00 C ATOM 322 CG ASP A 24 -4.085 9.524 10.602 1.00 0.00 C ATOM 323 OD1 ASP A 24 -4.986 9.402 11.462 1.00 0.00 O ATOM 324 OD2 ASP A 24 -3.775 10.629 10.114 1.00 0.00 O ATOM 0 H ASP A 24 -2.516 6.064 9.617 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.142 7.198 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.978 7.754 11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.395 8.572 9.677 1.00 0.00 H new ATOM 329 N MET A 25 -3.497 7.486 6.948 1.00 0.00 N ATOM 330 CA MET A 25 -3.529 8.015 5.580 1.00 0.00 C ATOM 331 C MET A 25 -4.106 6.996 4.592 1.00 0.00 C ATOM 332 O MET A 25 -3.929 7.127 3.385 1.00 0.00 O ATOM 333 CB MET A 25 -2.120 8.462 5.152 1.00 0.00 C ATOM 334 CG MET A 25 -1.554 9.569 6.047 1.00 0.00 C ATOM 335 SD MET A 25 0.005 10.314 5.468 1.00 0.00 S ATOM 336 CE MET A 25 1.115 8.879 5.449 1.00 0.00 C ATOM 0 H MET A 25 -2.836 6.719 7.070 1.00 0.00 H new ATOM 0 HA MET A 25 -4.190 8.882 5.569 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.449 7.604 5.174 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.153 8.815 4.121 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.302 10.357 6.140 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.394 9.161 7.045 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.105 9.189 5.114 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.186 8.461 6.453 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.722 8.124 4.768 1.00 0.00 H new ATOM 346 N LEU A 26 -4.786 5.959 5.084 1.00 0.00 N ATOM 347 CA LEU A 26 -5.374 4.902 4.262 1.00 0.00 C ATOM 348 C LEU A 26 -6.803 4.612 4.701 1.00 0.00 C ATOM 349 O LEU A 26 -7.106 4.710 5.897 1.00 0.00 O ATOM 350 CB LEU A 26 -4.545 3.613 4.426 1.00 0.00 C ATOM 351 CG LEU A 26 -3.100 3.660 3.895 1.00 0.00 C ATOM 352 CD1 LEU A 26 -2.400 2.337 4.233 1.00 0.00 C ATOM 353 CD2 LEU A 26 -3.064 3.884 2.382 1.00 0.00 C ATOM 0 H LEU A 26 -4.946 5.829 6.083 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.376 5.232 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.512 3.360 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.069 2.802 3.920 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.586 4.496 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.376 2.362 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.390 2.197 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.936 1.512 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.028 3.912 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.588 3.070 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.549 4.830 2.143 1.00 0.00 H new ATOM 365 N THR A 27 -7.662 4.226 3.762 1.00 0.00 N ATOM 366 CA THR A 27 -9.058 3.875 3.995 1.00 0.00 C ATOM 367 C THR A 27 -9.425 2.786 2.970 1.00 0.00 C ATOM 368 O THR A 27 -8.921 2.780 1.844 1.00 0.00 O ATOM 369 CB THR A 27 -9.934 5.148 3.970 1.00 0.00 C ATOM 370 OG1 THR A 27 -11.303 4.849 4.176 1.00 0.00 O ATOM 371 CG2 THR A 27 -9.779 5.988 2.702 1.00 0.00 C ATOM 0 H THR A 27 -7.394 4.146 2.781 1.00 0.00 H new ATOM 0 HA THR A 27 -9.237 3.455 4.985 1.00 0.00 H new ATOM 0 HB THR A 27 -9.563 5.751 4.799 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.826 5.678 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.427 6.862 2.763 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.742 6.310 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.057 5.391 1.834 1.00 0.00 H new ATOM 379 N VAL A 28 -10.273 1.822 3.347 1.00 0.00 N ATOM 380 CA VAL A 28 -10.691 0.740 2.455 1.00 0.00 C ATOM 381 C VAL A 28 -11.927 1.230 1.711 1.00 0.00 C ATOM 382 O VAL A 28 -12.956 1.472 2.342 1.00 0.00 O ATOM 383 CB VAL A 28 -10.950 -0.575 3.216 1.00 0.00 C ATOM 384 CG1 VAL A 28 -11.338 -1.682 2.223 1.00 0.00 C ATOM 385 CG2 VAL A 28 -9.723 -1.004 4.034 1.00 0.00 C ATOM 0 H VAL A 28 -10.687 1.772 4.278 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.895 0.502 1.749 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.771 -0.407 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.520 -2.610 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.242 -1.391 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.527 -1.832 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.942 -1.935 4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.875 -1.154 3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.480 -0.228 4.760 1.00 0.00 H new ATOM 395 N LYS A 29 -11.860 1.347 0.383 1.00 0.00 N ATOM 396 CA LYS A 29 -12.964 1.827 -0.451 1.00 0.00 C ATOM 397 C LYS A 29 -14.246 0.994 -0.370 1.00 0.00 C ATOM 398 O LYS A 29 -15.314 1.567 -0.549 1.00 0.00 O ATOM 399 CB LYS A 29 -12.476 1.969 -1.907 1.00 0.00 C ATOM 400 CG LYS A 29 -13.376 2.908 -2.730 1.00 0.00 C ATOM 401 CD LYS A 29 -12.812 3.229 -4.121 1.00 0.00 C ATOM 402 CE LYS A 29 -12.990 2.065 -5.101 1.00 0.00 C ATOM 403 NZ LYS A 29 -12.401 2.358 -6.426 1.00 0.00 N ATOM 0 H LYS A 29 -11.025 1.107 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.254 2.798 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.455 2.350 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.451 0.986 -2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.359 2.451 -2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.517 3.838 -2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.309 4.114 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.753 3.470 -4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.525 1.170 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.052 1.848 -5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.782 1.694 -7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.639 3.331 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.367 2.255 -6.377 1.00 0.00 H new ATOM 417 N VAL A 30 -14.159 -0.319 -0.108 1.00 0.00 N ATOM 418 CA VAL A 30 -15.312 -1.236 -0.022 1.00 0.00 C ATOM 419 C VAL A 30 -16.231 -1.012 -1.236 1.00 0.00 C ATOM 420 O VAL A 30 -17.344 -0.498 -1.140 1.00 0.00 O ATOM 421 CB VAL A 30 -16.009 -1.154 1.357 1.00 0.00 C ATOM 422 CG1 VAL A 30 -17.125 -2.201 1.517 1.00 0.00 C ATOM 423 CG2 VAL A 30 -15.008 -1.420 2.494 1.00 0.00 C ATOM 0 H VAL A 30 -13.267 -0.786 0.054 1.00 0.00 H new ATOM 0 HA VAL A 30 -14.976 -2.271 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.426 -0.148 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -17.581 -2.099 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -17.883 -2.046 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -16.703 -3.201 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -15.522 -1.357 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.580 -2.416 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.212 -0.676 2.459 1.00 0.00 H new ATOM 433 N GLY A 31 -15.703 -1.351 -2.411 1.00 0.00 N ATOM 434 CA GLY A 31 -16.378 -1.218 -3.687 1.00 0.00 C ATOM 435 C GLY A 31 -15.926 -2.297 -4.659 1.00 0.00 C ATOM 436 O GLY A 31 -16.702 -3.189 -4.996 1.00 0.00 O ATOM 0 H GLY A 31 -14.763 -1.738 -2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.456 -1.284 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.174 -0.234 -4.110 1.00 0.00 H new ATOM 440 N GLU A 32 -14.657 -2.263 -5.073 1.00 0.00 N ATOM 441 CA GLU A 32 -14.090 -3.220 -6.021 1.00 0.00 C ATOM 442 C GLU A 32 -12.731 -3.740 -5.551 1.00 0.00 C ATOM 443 O GLU A 32 -12.011 -3.004 -4.879 1.00 0.00 O ATOM 444 CB GLU A 32 -13.948 -2.539 -7.401 1.00 0.00 C ATOM 445 CG GLU A 32 -12.950 -1.364 -7.424 1.00 0.00 C ATOM 446 CD GLU A 32 -13.018 -0.541 -8.717 1.00 0.00 C ATOM 447 OE1 GLU A 32 -12.891 -1.092 -9.842 1.00 0.00 O ATOM 448 OE2 GLU A 32 -13.217 0.693 -8.602 1.00 0.00 O ATOM 0 H GLU A 32 -13.988 -1.562 -4.755 1.00 0.00 H new ATOM 0 HA GLU A 32 -14.761 -4.076 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.632 -3.284 -8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.926 -2.177 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.147 -0.711 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.939 -1.752 -7.300 1.00 0.00 H new ATOM 455 N PRO A 33 -12.329 -4.961 -5.949 1.00 0.00 N ATOM 456 CA PRO A 33 -11.046 -5.553 -5.577 1.00 0.00 C ATOM 457 C PRO A 33 -9.857 -4.965 -6.363 1.00 0.00 C ATOM 458 O PRO A 33 -8.752 -5.501 -6.287 1.00 0.00 O ATOM 459 CB PRO A 33 -11.215 -7.053 -5.829 1.00 0.00 C ATOM 460 CG PRO A 33 -12.173 -7.090 -7.014 1.00 0.00 C ATOM 461 CD PRO A 33 -13.104 -5.913 -6.734 1.00 0.00 C ATOM 0 HA PRO A 33 -10.803 -5.336 -4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.265 -7.534 -6.062 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.627 -7.565 -4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.648 -6.974 -7.962 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.717 -8.033 -7.065 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.450 -5.461 -7.663 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.990 -6.238 -6.188 1.00 0.00 H new ATOM 469 N LYS A 34 -10.045 -3.936 -7.200 1.00 0.00 N ATOM 470 CA LYS A 34 -8.940 -3.334 -7.947 1.00 0.00 C ATOM 471 C LYS A 34 -8.113 -2.557 -6.938 1.00 0.00 C ATOM 472 O LYS A 34 -8.612 -1.576 -6.394 1.00 0.00 O ATOM 473 CB LYS A 34 -9.439 -2.415 -9.067 1.00 0.00 C ATOM 474 CG LYS A 34 -8.261 -1.680 -9.737 1.00 0.00 C ATOM 475 CD LYS A 34 -8.738 -0.758 -10.855 1.00 0.00 C ATOM 476 CE LYS A 34 -9.110 -1.566 -12.095 1.00 0.00 C ATOM 477 NZ LYS A 34 -9.746 -0.705 -13.100 1.00 0.00 N ATOM 0 H LYS A 34 -10.953 -3.505 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.348 -4.107 -8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.979 -3.001 -9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.143 -1.689 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.722 -1.098 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.558 -2.409 -10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.600 -0.183 -10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.954 -0.042 -11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.217 -2.028 -12.516 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.787 -2.374 -11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.992 -1.272 -13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.609 -0.284 -12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.088 0.051 -13.376 1.00 0.00 H new ATOM 491 N GLY A 35 -6.875 -2.969 -6.714 1.00 0.00 N ATOM 492 CA GLY A 35 -5.964 -2.346 -5.774 1.00 0.00 C ATOM 493 C GLY A 35 -5.607 -3.336 -4.686 1.00 0.00 C ATOM 494 O GLY A 35 -6.206 -4.412 -4.590 1.00 0.00 O ATOM 0 H GLY A 35 -6.467 -3.770 -7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.062 -2.015 -6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.425 -1.460 -5.337 1.00 0.00 H new ATOM 498 N TYR A 36 -4.645 -2.956 -3.849 1.00 0.00 N ATOM 499 CA TYR A 36 -4.173 -3.794 -2.762 1.00 0.00 C ATOM 500 C TYR A 36 -5.344 -4.225 -1.858 1.00 0.00 C ATOM 501 O TYR A 36 -6.185 -3.380 -1.521 1.00 0.00 O ATOM 502 CB TYR A 36 -3.080 -3.053 -1.993 1.00 0.00 C ATOM 503 CG TYR A 36 -2.149 -4.008 -1.286 1.00 0.00 C ATOM 504 CD1 TYR A 36 -1.071 -4.572 -1.993 1.00 0.00 C ATOM 505 CD2 TYR A 36 -2.387 -4.379 0.049 1.00 0.00 C ATOM 506 CE1 TYR A 36 -0.226 -5.504 -1.370 1.00 0.00 C ATOM 507 CE2 TYR A 36 -1.529 -5.290 0.685 1.00 0.00 C ATOM 508 CZ TYR A 36 -0.458 -5.873 -0.026 1.00 0.00 C ATOM 509 OH TYR A 36 0.349 -6.784 0.582 1.00 0.00 O ATOM 0 H TYR A 36 -4.172 -2.054 -3.910 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.740 -4.711 -3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.509 -2.431 -2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.538 -2.384 -1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.893 -4.287 -3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.228 -3.964 0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.599 -5.938 -1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.689 -5.546 1.722 1.00 0.00 H new ATOM 0 HH TYR A 36 0.394 -6.592 1.542 1.00 0.00 H new ATOM 519 N PRO A 37 -5.420 -5.506 -1.452 1.00 0.00 N ATOM 520 CA PRO A 37 -6.503 -6.006 -0.616 1.00 0.00 C ATOM 521 C PRO A 37 -6.490 -5.437 0.811 1.00 0.00 C ATOM 522 O PRO A 37 -5.422 -5.160 1.365 1.00 0.00 O ATOM 523 CB PRO A 37 -6.355 -7.527 -0.634 1.00 0.00 C ATOM 524 CG PRO A 37 -4.864 -7.743 -0.864 1.00 0.00 C ATOM 525 CD PRO A 37 -4.499 -6.586 -1.787 1.00 0.00 C ATOM 0 HA PRO A 37 -7.469 -5.686 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.684 -7.972 0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.952 -7.978 -1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.301 -7.711 0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.661 -8.709 -1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.464 -6.278 -1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.598 -6.874 -2.834 1.00 0.00 H new ATOM 533 N PRO A 38 -7.666 -5.318 1.454 1.00 0.00 N ATOM 534 CA PRO A 38 -7.793 -4.781 2.803 1.00 0.00 C ATOM 535 C PRO A 38 -7.443 -5.762 3.923 1.00 0.00 C ATOM 536 O PRO A 38 -7.490 -5.363 5.083 1.00 0.00 O ATOM 537 CB PRO A 38 -9.249 -4.344 2.902 1.00 0.00 C ATOM 538 CG PRO A 38 -9.989 -5.357 2.033 1.00 0.00 C ATOM 539 CD PRO A 38 -8.988 -5.610 0.906 1.00 0.00 C ATOM 0 HA PRO A 38 -7.077 -3.972 2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.604 -4.365 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.388 -3.326 2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.223 -6.269 2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.932 -4.959 1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.046 -6.642 0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.201 -4.974 0.047 1.00 0.00 H new ATOM 547 N GLU A 39 -7.141 -7.026 3.629 1.00 0.00 N ATOM 548 CA GLU A 39 -6.787 -7.996 4.658 1.00 0.00 C ATOM 549 C GLU A 39 -5.306 -7.815 4.993 1.00 0.00 C ATOM 550 O GLU A 39 -4.919 -7.732 6.157 1.00 0.00 O ATOM 551 CB GLU A 39 -7.082 -9.409 4.133 1.00 0.00 C ATOM 552 CG GLU A 39 -6.695 -10.523 5.119 1.00 0.00 C ATOM 553 CD GLU A 39 -7.336 -10.325 6.494 1.00 0.00 C ATOM 554 OE1 GLU A 39 -8.534 -9.978 6.605 1.00 0.00 O ATOM 555 OE2 GLU A 39 -6.634 -10.479 7.522 1.00 0.00 O ATOM 0 H GLU A 39 -7.135 -7.401 2.681 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.372 -7.847 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.145 -9.489 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.544 -9.560 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.000 -11.487 4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.611 -10.551 5.226 1.00 0.00 H new ATOM 562 N ASP A 40 -4.477 -7.705 3.959 1.00 0.00 N ATOM 563 CA ASP A 40 -3.028 -7.535 4.038 1.00 0.00 C ATOM 564 C ASP A 40 -2.644 -6.077 4.340 1.00 0.00 C ATOM 565 O ASP A 40 -1.467 -5.731 4.330 1.00 0.00 O ATOM 566 CB ASP A 40 -2.395 -8.017 2.721 1.00 0.00 C ATOM 567 CG ASP A 40 -2.305 -9.539 2.624 1.00 0.00 C ATOM 568 OD1 ASP A 40 -3.349 -10.236 2.620 1.00 0.00 O ATOM 569 OD2 ASP A 40 -1.170 -10.052 2.530 1.00 0.00 O ATOM 0 H ASP A 40 -4.813 -7.733 2.996 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.645 -8.135 4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.981 -7.639 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.395 -7.593 2.628 1.00 0.00 H new ATOM 574 N ILE A 41 -3.616 -5.210 4.636 1.00 0.00 N ATOM 575 CA ILE A 41 -3.443 -3.787 4.941 1.00 0.00 C ATOM 576 C ILE A 41 -2.316 -3.525 5.946 1.00 0.00 C ATOM 577 O ILE A 41 -1.525 -2.602 5.754 1.00 0.00 O ATOM 578 CB ILE A 41 -4.784 -3.174 5.411 1.00 0.00 C ATOM 579 CG1 ILE A 41 -4.617 -1.650 5.610 1.00 0.00 C ATOM 580 CG2 ILE A 41 -5.341 -3.851 6.682 1.00 0.00 C ATOM 581 CD1 ILE A 41 -5.879 -0.956 6.112 1.00 0.00 C ATOM 0 H ILE A 41 -4.594 -5.496 4.671 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.137 -3.292 4.019 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.523 -3.356 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.808 -1.471 6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.317 -1.200 4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.282 -3.379 6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.511 -4.910 6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.624 -3.743 7.496 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.686 0.111 6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.685 -1.103 5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.169 -1.379 7.074 1.00 0.00 H new ATOM 593 N PHE A 42 -2.223 -4.327 7.007 1.00 0.00 N ATOM 594 CA PHE A 42 -1.201 -4.172 8.035 1.00 0.00 C ATOM 595 C PHE A 42 0.205 -4.273 7.451 1.00 0.00 C ATOM 596 O PHE A 42 1.132 -3.706 8.020 1.00 0.00 O ATOM 597 CB PHE A 42 -1.395 -5.227 9.123 1.00 0.00 C ATOM 598 CG PHE A 42 -2.592 -4.968 10.011 1.00 0.00 C ATOM 599 CD1 PHE A 42 -3.883 -5.347 9.593 1.00 0.00 C ATOM 600 CD2 PHE A 42 -2.414 -4.352 11.264 1.00 0.00 C ATOM 601 CE1 PHE A 42 -4.990 -5.098 10.419 1.00 0.00 C ATOM 602 CE2 PHE A 42 -3.519 -4.134 12.102 1.00 0.00 C ATOM 603 CZ PHE A 42 -4.806 -4.513 11.683 1.00 0.00 C ATOM 0 H PHE A 42 -2.860 -5.106 7.176 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.309 -3.178 8.468 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.506 -6.205 8.654 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.498 -5.270 9.740 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.021 -5.829 8.637 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.428 -4.047 11.581 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.983 -5.356 10.083 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.380 -3.675 13.070 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.654 -4.354 12.333 1.00 0.00 H new ATOM 613 N ASN A 43 0.366 -5.009 6.348 1.00 0.00 N ATOM 614 CA ASN A 43 1.643 -5.173 5.682 1.00 0.00 C ATOM 615 C ASN A 43 1.997 -3.879 4.958 1.00 0.00 C ATOM 616 O ASN A 43 3.176 -3.551 4.883 1.00 0.00 O ATOM 617 CB ASN A 43 1.613 -6.333 4.674 1.00 0.00 C ATOM 618 CG ASN A 43 1.277 -7.677 5.315 1.00 0.00 C ATOM 619 OD1 ASN A 43 1.825 -8.043 6.353 1.00 0.00 O ATOM 620 ND2 ASN A 43 0.404 -8.470 4.721 1.00 0.00 N ATOM 0 H ASN A 43 -0.399 -5.509 5.895 1.00 0.00 H new ATOM 0 HA ASN A 43 2.394 -5.406 6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.879 -6.114 3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.583 -6.404 4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.187 -9.382 5.124 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.053 -8.171 3.860 1.00 0.00 H new ATOM 627 N LEU A 44 1.020 -3.169 4.375 1.00 0.00 N ATOM 628 CA LEU A 44 1.268 -1.906 3.674 1.00 0.00 C ATOM 629 C LEU A 44 1.718 -0.848 4.668 1.00 0.00 C ATOM 630 O LEU A 44 2.538 0.006 4.340 1.00 0.00 O ATOM 631 CB LEU A 44 0.011 -1.341 2.995 1.00 0.00 C ATOM 632 CG LEU A 44 -0.442 -2.024 1.703 1.00 0.00 C ATOM 633 CD1 LEU A 44 -1.748 -1.339 1.280 1.00 0.00 C ATOM 634 CD2 LEU A 44 0.595 -1.907 0.579 1.00 0.00 C ATOM 0 H LEU A 44 0.041 -3.455 4.377 1.00 0.00 H new ATOM 0 HA LEU A 44 2.023 -2.127 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.811 -1.387 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.187 -0.287 2.779 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.575 -3.091 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.115 -1.792 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.494 -1.460 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.565 -0.277 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.222 -2.409 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.773 -0.855 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.528 -2.374 0.895 1.00 0.00 H new ATOM 646 N VAL A 45 1.115 -0.848 5.853 1.00 0.00 N ATOM 647 CA VAL A 45 1.447 0.109 6.894 1.00 0.00 C ATOM 648 C VAL A 45 2.917 -0.121 7.243 1.00 0.00 C ATOM 649 O VAL A 45 3.358 -1.256 7.414 1.00 0.00 O ATOM 650 CB VAL A 45 0.450 -0.022 8.057 1.00 0.00 C ATOM 651 CG1 VAL A 45 0.843 0.841 9.262 1.00 0.00 C ATOM 652 CG2 VAL A 45 -0.939 0.428 7.574 1.00 0.00 C ATOM 0 H VAL A 45 0.385 -1.511 6.115 1.00 0.00 H new ATOM 0 HA VAL A 45 1.348 1.149 6.582 1.00 0.00 H new ATOM 0 HB VAL A 45 0.448 -1.065 8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.108 0.713 10.056 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.825 0.535 9.624 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.877 1.889 8.964 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.655 0.339 8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.891 1.466 7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.257 -0.202 6.743 1.00 0.00 H new ATOM 662 N GLY A 46 3.687 0.964 7.291 1.00 0.00 N ATOM 663 CA GLY A 46 5.108 0.934 7.581 1.00 0.00 C ATOM 664 C GLY A 46 5.945 0.911 6.303 1.00 0.00 C ATOM 665 O GLY A 46 7.162 1.099 6.386 1.00 0.00 O ATOM 0 H GLY A 46 3.328 1.904 7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.376 1.807 8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.338 0.055 8.183 1.00 0.00 H new ATOM 669 N LYS A 47 5.344 0.695 5.121 1.00 0.00 N ATOM 670 CA LYS A 47 6.095 0.675 3.867 1.00 0.00 C ATOM 671 C LYS A 47 6.284 2.079 3.337 1.00 0.00 C ATOM 672 O LYS A 47 5.478 2.971 3.601 1.00 0.00 O ATOM 673 CB LYS A 47 5.378 -0.116 2.769 1.00 0.00 C ATOM 674 CG LYS A 47 5.219 -1.595 3.109 1.00 0.00 C ATOM 675 CD LYS A 47 4.653 -2.321 1.881 1.00 0.00 C ATOM 676 CE LYS A 47 4.318 -3.802 2.085 1.00 0.00 C ATOM 677 NZ LYS A 47 5.081 -4.474 3.156 1.00 0.00 N ATOM 0 H LYS A 47 4.343 0.533 5.014 1.00 0.00 H new ATOM 0 HA LYS A 47 7.049 0.202 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.394 0.320 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.935 -0.021 1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.180 -2.024 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.552 -1.718 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.749 -1.803 1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.374 -2.239 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.255 -3.891 2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.493 -4.331 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.081 -5.501 2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.060 -4.123 3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.640 -4.272 4.076 1.00 0.00 H new ATOM 691 N LYS A 48 7.337 2.272 2.553 1.00 0.00 N ATOM 692 CA LYS A 48 7.653 3.546 1.936 1.00 0.00 C ATOM 693 C LYS A 48 7.061 3.533 0.529 1.00 0.00 C ATOM 694 O LYS A 48 7.211 2.525 -0.164 1.00 0.00 O ATOM 695 CB LYS A 48 9.189 3.674 1.892 1.00 0.00 C ATOM 696 CG LYS A 48 9.691 5.017 1.398 1.00 0.00 C ATOM 697 CD LYS A 48 11.199 5.221 1.324 1.00 0.00 C ATOM 698 CE LYS A 48 11.887 5.206 2.690 1.00 0.00 C ATOM 699 NZ LYS A 48 13.252 5.755 2.590 1.00 0.00 N ATOM 0 H LYS A 48 8.004 1.534 2.327 1.00 0.00 H new ATOM 0 HA LYS A 48 7.242 4.391 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.585 3.497 2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.589 2.891 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.280 5.184 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.279 5.790 2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.633 4.440 0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.405 6.172 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.305 5.791 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.927 4.186 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.703 5.737 3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.809 5.181 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.207 6.736 2.246 1.00 0.00 H new ATOM 713 N VAL A 49 6.329 4.574 0.127 1.00 0.00 N ATOM 714 CA VAL A 49 5.792 4.665 -1.235 1.00 0.00 C ATOM 715 C VAL A 49 6.984 4.818 -2.197 1.00 0.00 C ATOM 716 O VAL A 49 8.112 5.054 -1.757 1.00 0.00 O ATOM 717 CB VAL A 49 4.791 5.838 -1.383 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.448 5.510 -0.753 1.00 0.00 C ATOM 719 CG2 VAL A 49 5.211 7.173 -0.813 1.00 0.00 C ATOM 0 H VAL A 49 6.094 5.367 0.724 1.00 0.00 H new ATOM 0 HA VAL A 49 5.230 3.762 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 49 4.742 5.947 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.772 6.356 -0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.023 4.632 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.584 5.306 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.422 7.906 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.388 7.072 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.127 7.506 -1.302 1.00 0.00 H new ATOM 729 N LEU A 50 6.760 4.690 -3.500 1.00 0.00 N ATOM 730 CA LEU A 50 7.797 4.833 -4.526 1.00 0.00 C ATOM 731 C LEU A 50 7.562 6.046 -5.429 1.00 0.00 C ATOM 732 O LEU A 50 8.429 6.345 -6.256 1.00 0.00 O ATOM 733 CB LEU A 50 7.853 3.548 -5.369 1.00 0.00 C ATOM 734 CG LEU A 50 8.570 2.397 -4.646 1.00 0.00 C ATOM 735 CD1 LEU A 50 8.375 1.099 -5.436 1.00 0.00 C ATOM 736 CD2 LEU A 50 10.075 2.666 -4.482 1.00 0.00 C ATOM 0 H LEU A 50 5.838 4.480 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 50 8.749 4.995 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.839 3.238 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.365 3.756 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 50 8.134 2.310 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.883 0.282 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.311 0.875 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.792 1.216 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.541 1.826 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.532 2.787 -5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.221 3.576 -3.899 1.00 0.00 H new ATOM 748 N VAL A 51 6.419 6.715 -5.285 1.00 0.00 N ATOM 749 CA VAL A 51 5.979 7.880 -6.053 1.00 0.00 C ATOM 750 C VAL A 51 4.949 8.652 -5.216 1.00 0.00 C ATOM 751 O VAL A 51 4.424 8.132 -4.230 1.00 0.00 O ATOM 752 CB VAL A 51 5.344 7.472 -7.419 1.00 0.00 C ATOM 753 CG1 VAL A 51 6.394 7.127 -8.483 1.00 0.00 C ATOM 754 CG2 VAL A 51 4.330 6.316 -7.361 1.00 0.00 C ATOM 0 H VAL A 51 5.731 6.440 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 51 6.848 8.501 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 51 4.798 8.374 -7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.894 6.851 -9.411 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.032 7.993 -8.658 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.002 6.292 -8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.951 6.114 -8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.818 5.423 -6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.502 6.591 -6.708 1.00 0.00 H new ATOM 764 N THR A 52 4.696 9.913 -5.564 1.00 0.00 N ATOM 765 CA THR A 52 3.715 10.744 -4.886 1.00 0.00 C ATOM 766 C THR A 52 2.337 10.228 -5.302 1.00 0.00 C ATOM 767 O THR A 52 1.946 10.344 -6.466 1.00 0.00 O ATOM 768 CB THR A 52 3.912 12.224 -5.248 1.00 0.00 C ATOM 769 OG1 THR A 52 5.140 12.665 -4.695 1.00 0.00 O ATOM 770 CG2 THR A 52 2.761 13.101 -4.726 1.00 0.00 C ATOM 0 H THR A 52 5.173 10.386 -6.332 1.00 0.00 H new ATOM 0 HA THR A 52 3.824 10.684 -3.803 1.00 0.00 H new ATOM 0 HB THR A 52 3.923 12.316 -6.334 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.280 13.609 -4.920 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.940 14.140 -5.004 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.821 12.765 -5.163 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.705 13.020 -3.640 1.00 0.00 H new ATOM 778 N VAL A 53 1.642 9.605 -4.363 1.00 0.00 N ATOM 779 CA VAL A 53 0.307 9.051 -4.541 1.00 0.00 C ATOM 780 C VAL A 53 -0.694 10.186 -4.281 1.00 0.00 C ATOM 781 O VAL A 53 -0.551 10.909 -3.293 1.00 0.00 O ATOM 782 CB VAL A 53 0.110 7.874 -3.558 1.00 0.00 C ATOM 783 CG1 VAL A 53 -1.274 7.250 -3.716 1.00 0.00 C ATOM 784 CG2 VAL A 53 1.147 6.751 -3.736 1.00 0.00 C ATOM 0 H VAL A 53 2.005 9.466 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 53 0.158 8.662 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 53 0.232 8.311 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.384 6.425 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.037 8.002 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.391 6.877 -4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.951 5.957 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.078 6.349 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.148 7.151 -3.572 1.00 0.00 H new ATOM 794 N GLU A 54 -1.667 10.390 -5.169 1.00 0.00 N ATOM 795 CA GLU A 54 -2.697 11.421 -5.022 1.00 0.00 C ATOM 796 C GLU A 54 -3.761 10.951 -4.021 1.00 0.00 C ATOM 797 O GLU A 54 -3.789 9.787 -3.623 1.00 0.00 O ATOM 798 CB GLU A 54 -3.375 11.669 -6.382 1.00 0.00 C ATOM 799 CG GLU A 54 -2.489 12.404 -7.394 1.00 0.00 C ATOM 800 CD GLU A 54 -3.159 12.391 -8.772 1.00 0.00 C ATOM 801 OE1 GLU A 54 -3.996 13.280 -9.047 1.00 0.00 O ATOM 802 OE2 GLU A 54 -2.906 11.442 -9.554 1.00 0.00 O ATOM 0 H GLU A 54 -1.764 9.838 -6.021 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.231 12.339 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.677 10.711 -6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.285 12.248 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.324 13.431 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.511 11.926 -7.450 1.00 0.00 H new ATOM 809 N GLU A 55 -4.633 11.857 -3.572 1.00 0.00 N ATOM 810 CA GLU A 55 -5.699 11.477 -2.658 1.00 0.00 C ATOM 811 C GLU A 55 -6.682 10.622 -3.467 1.00 0.00 C ATOM 812 O GLU A 55 -6.876 10.832 -4.670 1.00 0.00 O ATOM 813 CB GLU A 55 -6.374 12.728 -2.083 1.00 0.00 C ATOM 814 CG GLU A 55 -7.560 12.395 -1.161 1.00 0.00 C ATOM 815 CD GLU A 55 -8.077 13.621 -0.408 1.00 0.00 C ATOM 816 OE1 GLU A 55 -7.258 14.368 0.176 1.00 0.00 O ATOM 817 OE2 GLU A 55 -9.309 13.872 -0.418 1.00 0.00 O ATOM 0 H GLU A 55 -4.619 12.845 -3.825 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.319 10.911 -1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.639 13.309 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.722 13.357 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.369 11.969 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.256 11.633 -0.443 1.00 0.00 H new ATOM 824 N ASP A 56 -7.347 9.690 -2.790 1.00 0.00 N ATOM 825 CA ASP A 56 -8.328 8.738 -3.301 1.00 0.00 C ATOM 826 C ASP A 56 -7.719 7.816 -4.363 1.00 0.00 C ATOM 827 O ASP A 56 -8.448 7.097 -5.052 1.00 0.00 O ATOM 828 CB ASP A 56 -9.632 9.442 -3.739 1.00 0.00 C ATOM 829 CG ASP A 56 -10.626 9.572 -2.588 1.00 0.00 C ATOM 830 OD1 ASP A 56 -10.239 9.896 -1.446 1.00 0.00 O ATOM 831 OD2 ASP A 56 -11.839 9.331 -2.801 1.00 0.00 O ATOM 0 H ASP A 56 -7.201 9.572 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.622 8.078 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.396 10.433 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.091 8.881 -4.553 1.00 0.00 H new ATOM 836 N ASP A 57 -6.395 7.840 -4.536 1.00 0.00 N ATOM 837 CA ASP A 57 -5.698 6.997 -5.493 1.00 0.00 C ATOM 838 C ASP A 57 -5.640 5.588 -4.916 1.00 0.00 C ATOM 839 O ASP A 57 -5.688 5.395 -3.698 1.00 0.00 O ATOM 840 CB ASP A 57 -4.289 7.519 -5.789 1.00 0.00 C ATOM 841 CG ASP A 57 -3.743 7.049 -7.139 1.00 0.00 C ATOM 842 OD1 ASP A 57 -4.499 6.455 -7.941 1.00 0.00 O ATOM 843 OD2 ASP A 57 -2.607 7.442 -7.491 1.00 0.00 O ATOM 0 H ASP A 57 -5.776 8.454 -4.007 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.236 7.001 -6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.301 8.609 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.614 7.193 -4.998 1.00 0.00 H new ATOM 848 N THR A 58 -5.560 4.593 -5.783 1.00 0.00 N ATOM 849 CA THR A 58 -5.527 3.206 -5.365 1.00 0.00 C ATOM 850 C THR A 58 -4.096 2.750 -5.103 1.00 0.00 C ATOM 851 O THR A 58 -3.220 2.876 -5.959 1.00 0.00 O ATOM 852 CB THR A 58 -6.292 2.384 -6.401 1.00 0.00 C ATOM 853 OG1 THR A 58 -7.636 2.839 -6.436 1.00 0.00 O ATOM 854 CG2 THR A 58 -6.349 0.911 -6.031 1.00 0.00 C ATOM 0 H THR A 58 -5.516 4.726 -6.793 1.00 0.00 H new ATOM 0 HA THR A 58 -6.027 3.061 -4.407 1.00 0.00 H new ATOM 0 HB THR A 58 -5.778 2.502 -7.355 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.139 2.321 -7.098 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.902 0.365 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.336 0.514 -5.962 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.850 0.796 -5.070 1.00 0.00 H new ATOM 862 N ILE A 59 -3.839 2.288 -3.876 1.00 0.00 N ATOM 863 CA ILE A 59 -2.524 1.800 -3.496 1.00 0.00 C ATOM 864 C ILE A 59 -2.372 0.438 -4.168 1.00 0.00 C ATOM 865 O ILE A 59 -3.297 -0.382 -4.183 1.00 0.00 O ATOM 866 CB ILE A 59 -2.377 1.715 -1.959 1.00 0.00 C ATOM 867 CG1 ILE A 59 -2.478 3.103 -1.284 1.00 0.00 C ATOM 868 CG2 ILE A 59 -1.065 1.020 -1.537 1.00 0.00 C ATOM 869 CD1 ILE A 59 -1.267 4.025 -1.490 1.00 0.00 C ATOM 0 H ILE A 59 -4.533 2.245 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.735 2.479 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.213 1.106 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.367 3.608 -1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.625 2.958 -0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.006 0.984 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.046 0.006 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.215 1.579 -1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.439 4.971 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.374 3.549 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.127 4.210 -2.555 1.00 0.00 H new ATOM 881 N MET A 60 -1.184 0.184 -4.705 1.00 0.00 N ATOM 882 CA MET A 60 -0.837 -1.051 -5.372 1.00 0.00 C ATOM 883 C MET A 60 0.487 -1.541 -4.823 1.00 0.00 C ATOM 884 O MET A 60 1.286 -0.762 -4.306 1.00 0.00 O ATOM 885 CB MET A 60 -0.767 -0.848 -6.895 1.00 0.00 C ATOM 886 CG MET A 60 -1.962 -1.499 -7.576 1.00 0.00 C ATOM 887 SD MET A 60 -2.116 -3.286 -7.276 1.00 0.00 S ATOM 888 CE MET A 60 -3.460 -3.602 -8.442 1.00 0.00 C ATOM 0 H MET A 60 -0.417 0.857 -4.684 1.00 0.00 H new ATOM 0 HA MET A 60 -1.606 -1.801 -5.184 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.746 0.217 -7.125 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.157 -1.276 -7.283 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.872 -1.006 -7.235 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.890 -1.328 -8.650 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.851 -4.607 -8.283 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.256 -2.874 -8.285 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.085 -3.516 -9.462 1.00 0.00 H new ATOM 898 N GLU A 61 0.717 -2.840 -4.977 1.00 0.00 N ATOM 899 CA GLU A 61 1.920 -3.527 -4.532 1.00 0.00 C ATOM 900 C GLU A 61 3.176 -2.947 -5.185 1.00 0.00 C ATOM 901 O GLU A 61 4.245 -3.009 -4.586 1.00 0.00 O ATOM 902 CB GLU A 61 1.768 -5.033 -4.815 1.00 0.00 C ATOM 903 CG GLU A 61 1.621 -5.363 -6.313 1.00 0.00 C ATOM 904 CD GLU A 61 1.102 -6.780 -6.554 1.00 0.00 C ATOM 905 OE1 GLU A 61 -0.015 -7.099 -6.075 1.00 0.00 O ATOM 906 OE2 GLU A 61 1.792 -7.559 -7.248 1.00 0.00 O ATOM 0 H GLU A 61 0.048 -3.463 -5.430 1.00 0.00 H new ATOM 0 HA GLU A 61 2.042 -3.379 -3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.636 -5.559 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.896 -5.409 -4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.940 -4.647 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.587 -5.245 -6.804 1.00 0.00 H new ATOM 913 N GLU A 62 3.079 -2.373 -6.390 1.00 0.00 N ATOM 914 CA GLU A 62 4.249 -1.794 -7.050 1.00 0.00 C ATOM 915 C GLU A 62 4.472 -0.318 -6.694 1.00 0.00 C ATOM 916 O GLU A 62 5.465 0.263 -7.131 1.00 0.00 O ATOM 917 CB GLU A 62 4.224 -2.053 -8.557 1.00 0.00 C ATOM 918 CG GLU A 62 3.206 -1.225 -9.353 1.00 0.00 C ATOM 919 CD GLU A 62 3.411 -1.440 -10.856 1.00 0.00 C ATOM 920 OE1 GLU A 62 4.582 -1.424 -11.318 1.00 0.00 O ATOM 921 OE2 GLU A 62 2.425 -1.630 -11.591 1.00 0.00 O ATOM 0 H GLU A 62 2.211 -2.299 -6.921 1.00 0.00 H new ATOM 0 HA GLU A 62 5.124 -2.311 -6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.218 -1.857 -8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.016 -3.110 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.193 -1.512 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.317 -0.168 -9.111 1.00 0.00 H new ATOM 928 N LEU A 63 3.571 0.298 -5.921 1.00 0.00 N ATOM 929 CA LEU A 63 3.671 1.694 -5.486 1.00 0.00 C ATOM 930 C LEU A 63 4.282 1.747 -4.084 1.00 0.00 C ATOM 931 O LEU A 63 4.151 2.756 -3.395 1.00 0.00 O ATOM 932 CB LEU A 63 2.303 2.405 -5.508 1.00 0.00 C ATOM 933 CG LEU A 63 1.529 2.319 -6.836 1.00 0.00 C ATOM 934 CD1 LEU A 63 0.197 3.061 -6.690 1.00 0.00 C ATOM 935 CD2 LEU A 63 2.304 2.888 -8.027 1.00 0.00 C ATOM 0 H LEU A 63 2.734 -0.171 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 63 4.316 2.223 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.682 1.983 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.456 3.456 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 63 1.367 1.261 -7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.356 3.004 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.390 2.602 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.388 4.106 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.701 2.796 -8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.529 3.939 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.234 2.335 -8.154 1.00 0.00 H new ATOM 947 N VAL A 64 4.904 0.667 -3.618 1.00 0.00 N ATOM 948 CA VAL A 64 5.534 0.580 -2.316 1.00 0.00 C ATOM 949 C VAL A 64 6.843 -0.177 -2.491 1.00 0.00 C ATOM 950 O VAL A 64 6.932 -1.141 -3.254 1.00 0.00 O ATOM 951 CB VAL A 64 4.602 -0.064 -1.267 1.00 0.00 C ATOM 952 CG1 VAL A 64 3.549 0.928 -0.760 1.00 0.00 C ATOM 953 CG2 VAL A 64 3.889 -1.327 -1.768 1.00 0.00 C ATOM 0 H VAL A 64 4.982 -0.195 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 64 5.742 1.576 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 64 5.264 -0.355 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.912 0.438 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.046 1.782 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.939 1.270 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.252 -1.723 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.278 -1.080 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.630 -2.076 -2.047 1.00 0.00 H new ATOM 963 N ASP A 65 7.871 0.272 -1.782 1.00 0.00 N ATOM 964 CA ASP A 65 9.214 -0.293 -1.784 1.00 0.00 C ATOM 965 C ASP A 65 9.247 -1.594 -0.975 1.00 0.00 C ATOM 966 O ASP A 65 9.842 -1.688 0.103 1.00 0.00 O ATOM 967 CB ASP A 65 10.175 0.747 -1.214 1.00 0.00 C ATOM 968 CG ASP A 65 11.619 0.282 -1.363 1.00 0.00 C ATOM 969 OD1 ASP A 65 12.041 -0.035 -2.496 1.00 0.00 O ATOM 970 OD2 ASP A 65 12.367 0.250 -0.355 1.00 0.00 O ATOM 0 H ASP A 65 7.787 1.077 -1.161 1.00 0.00 H new ATOM 0 HA ASP A 65 9.519 -0.541 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.038 1.698 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.950 0.920 -0.162 1.00 0.00 H new