USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=12 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=-0.00843 USER MOD Set 1.2: A 25 MET CE :methyl -144:sc= -0.0319 (180deg=-0.0942) USER MOD Single : A 8 SER OG : rot -168:sc= 1.24 USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0685) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc=-0.00498 (180deg=-0.245) USER MOD Single : A 19 THR OG1 : rot 103:sc= 1.23 USER MOD Single : A 23 MET CE :methyl 163:sc= 0 (180deg=-0.413) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 1.14 (180deg=0.759) USER MOD Single : A 36 TYR OH : rot -30:sc= 1.27 USER MOD Single : A 43 ASN : amide:sc= 0.801 K(o=0.8,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 62:sc= 0.539 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.685 -4.069 -1.273 1.00 0.00 N ATOM 60 CA GLY A 7 -13.036 -2.864 -1.734 1.00 0.00 C ATOM 61 C GLY A 7 -11.531 -3.035 -1.771 1.00 0.00 C ATOM 62 O GLY A 7 -11.008 -4.121 -1.522 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.401 -2.609 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.295 -2.034 -1.077 1.00 0.00 H new ATOM 66 N SER A 8 -10.836 -1.939 -2.059 1.00 0.00 N ATOM 67 CA SER A 8 -9.388 -1.914 -2.125 1.00 0.00 C ATOM 68 C SER A 8 -8.869 -0.763 -1.269 1.00 0.00 C ATOM 69 O SER A 8 -9.575 0.234 -1.055 1.00 0.00 O ATOM 70 CB SER A 8 -8.960 -1.863 -3.590 1.00 0.00 C ATOM 71 OG SER A 8 -9.425 -0.711 -4.271 1.00 0.00 O ATOM 0 H SER A 8 -11.271 -1.037 -2.254 1.00 0.00 H new ATOM 0 HA SER A 8 -8.944 -2.819 -1.711 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.872 -1.894 -3.644 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.330 -2.752 -4.100 1.00 0.00 H new ATOM 0 HG SER A 8 -9.284 -0.821 -5.235 1.00 0.00 H new ATOM 77 N VAL A 9 -7.658 -0.901 -0.728 1.00 0.00 N ATOM 78 CA VAL A 9 -7.073 0.129 0.114 1.00 0.00 C ATOM 79 C VAL A 9 -6.585 1.312 -0.722 1.00 0.00 C ATOM 80 O VAL A 9 -5.550 1.220 -1.394 1.00 0.00 O ATOM 81 CB VAL A 9 -5.930 -0.396 0.994 1.00 0.00 C ATOM 82 CG1 VAL A 9 -5.543 0.723 1.983 1.00 0.00 C ATOM 83 CG2 VAL A 9 -6.291 -1.675 1.762 1.00 0.00 C ATOM 0 H VAL A 9 -7.066 -1.721 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.869 0.462 0.780 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.097 -0.664 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.731 0.378 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.219 1.603 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.406 0.980 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.439 -1.991 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.143 -1.480 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.548 -2.464 1.055 1.00 0.00 H new ATOM 93 N VAL A 10 -7.319 2.415 -0.676 1.00 0.00 N ATOM 94 CA VAL A 10 -6.981 3.638 -1.373 1.00 0.00 C ATOM 95 C VAL A 10 -6.403 4.617 -0.346 1.00 0.00 C ATOM 96 O VAL A 10 -6.688 4.568 0.857 1.00 0.00 O ATOM 97 CB VAL A 10 -8.199 4.224 -2.123 1.00 0.00 C ATOM 98 CG1 VAL A 10 -8.776 3.230 -3.141 1.00 0.00 C ATOM 99 CG2 VAL A 10 -9.316 4.694 -1.193 1.00 0.00 C ATOM 0 H VAL A 10 -8.184 2.481 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.236 3.438 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.811 5.098 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.630 3.681 -3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.012 2.977 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.096 2.325 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.139 5.094 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.672 3.853 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.935 5.471 -0.531 1.00 0.00 H new ATOM 109 N ALA A 11 -5.559 5.506 -0.834 1.00 0.00 N ATOM 110 CA ALA A 11 -4.919 6.553 -0.064 1.00 0.00 C ATOM 111 C ALA A 11 -6.005 7.516 0.415 1.00 0.00 C ATOM 112 O ALA A 11 -6.849 7.959 -0.359 1.00 0.00 O ATOM 113 CB ALA A 11 -3.900 7.270 -0.944 1.00 0.00 C ATOM 0 H ALA A 11 -5.290 5.518 -1.818 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.393 6.144 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.415 8.059 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.150 6.557 -1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.406 7.706 -1.805 1.00 0.00 H new ATOM 119 N LYS A 12 -6.043 7.809 1.709 1.00 0.00 N ATOM 120 CA LYS A 12 -7.026 8.729 2.284 1.00 0.00 C ATOM 121 C LYS A 12 -6.669 10.183 1.970 1.00 0.00 C ATOM 122 O LYS A 12 -7.548 11.038 2.007 1.00 0.00 O ATOM 123 CB LYS A 12 -7.078 8.496 3.798 1.00 0.00 C ATOM 124 CG LYS A 12 -8.021 9.430 4.569 1.00 0.00 C ATOM 125 CD LYS A 12 -8.113 8.988 6.033 1.00 0.00 C ATOM 126 CE LYS A 12 -9.109 7.849 6.230 1.00 0.00 C ATOM 127 NZ LYS A 12 -10.524 8.249 6.049 1.00 0.00 N ATOM 0 H LYS A 12 -5.395 7.417 2.392 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.005 8.538 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.383 7.466 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.072 8.607 4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.657 10.456 4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.011 9.418 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.129 8.671 6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.408 9.837 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.875 7.050 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.983 7.439 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.146 7.483 6.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.715 9.110 6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.706 8.436 5.042 1.00 0.00 H new ATOM 141 N VAL A 13 -5.400 10.470 1.706 1.00 0.00 N ATOM 142 CA VAL A 13 -4.854 11.782 1.399 1.00 0.00 C ATOM 143 C VAL A 13 -3.683 11.584 0.443 1.00 0.00 C ATOM 144 O VAL A 13 -3.297 10.447 0.175 1.00 0.00 O ATOM 145 CB VAL A 13 -4.350 12.448 2.702 1.00 0.00 C ATOM 146 CG1 VAL A 13 -5.493 12.738 3.681 1.00 0.00 C ATOM 147 CG2 VAL A 13 -3.288 11.596 3.424 1.00 0.00 C ATOM 0 H VAL A 13 -4.682 9.746 1.701 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.614 12.419 0.948 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.897 13.388 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.092 13.205 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.212 13.410 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.990 11.805 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.967 12.107 4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.714 10.627 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.430 11.450 2.767 1.00 0.00 H new ATOM 157 N LYS A 14 -3.122 12.672 -0.076 1.00 0.00 N ATOM 158 CA LYS A 14 -1.975 12.616 -0.960 1.00 0.00 C ATOM 159 C LYS A 14 -0.801 12.120 -0.112 1.00 0.00 C ATOM 160 O LYS A 14 -0.562 12.667 0.966 1.00 0.00 O ATOM 161 CB LYS A 14 -1.748 14.031 -1.494 1.00 0.00 C ATOM 162 CG LYS A 14 -0.635 14.179 -2.524 1.00 0.00 C ATOM 163 CD LYS A 14 -0.492 15.659 -2.872 1.00 0.00 C ATOM 164 CE LYS A 14 0.466 15.864 -4.040 1.00 0.00 C ATOM 165 NZ LYS A 14 -0.031 15.316 -5.315 1.00 0.00 N ATOM 0 H LYS A 14 -3.455 13.618 0.109 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.104 11.948 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.678 14.385 -1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.527 14.686 -0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.303 13.791 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.867 13.600 -3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.469 16.071 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.130 16.206 -2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.654 16.931 -4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.422 15.397 -3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.562 15.662 -6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.008 14.277 -5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.014 15.622 -5.465 1.00 0.00 H new ATOM 179 N ILE A 15 -0.097 11.081 -0.556 1.00 0.00 N ATOM 180 CA ILE A 15 1.043 10.513 0.155 1.00 0.00 C ATOM 181 C ILE A 15 2.273 10.834 -0.691 1.00 0.00 C ATOM 182 O ILE A 15 2.536 10.104 -1.648 1.00 0.00 O ATOM 183 CB ILE A 15 0.876 9.003 0.447 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.480 8.747 1.141 1.00 0.00 C ATOM 185 CG2 ILE A 15 2.067 8.510 1.298 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.735 7.294 1.543 1.00 0.00 C ATOM 0 H ILE A 15 -0.307 10.604 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 15 1.141 10.951 1.148 1.00 0.00 H new ATOM 0 HB ILE A 15 0.875 8.439 -0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.538 9.371 2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.279 9.069 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.951 7.446 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.996 8.674 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.095 9.061 2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.711 7.215 2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.714 6.662 0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.038 6.968 2.239 1.00 0.00 H new ATOM 198 N PRO A 16 3.019 11.913 -0.390 1.00 0.00 N ATOM 199 CA PRO A 16 4.200 12.261 -1.162 1.00 0.00 C ATOM 200 C PRO A 16 5.233 11.142 -1.091 1.00 0.00 C ATOM 201 O PRO A 16 5.391 10.482 -0.057 1.00 0.00 O ATOM 202 CB PRO A 16 4.715 13.588 -0.602 1.00 0.00 C ATOM 203 CG PRO A 16 4.119 13.652 0.802 1.00 0.00 C ATOM 204 CD PRO A 16 2.821 12.856 0.699 1.00 0.00 C ATOM 0 HA PRO A 16 3.974 12.380 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.804 13.614 -0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.391 14.431 -1.212 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.794 13.219 1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.931 14.681 1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.606 12.336 1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.975 13.513 0.498 1.00 0.00 H new ATOM 212 N GLU A 17 5.948 10.958 -2.196 1.00 0.00 N ATOM 213 CA GLU A 17 6.984 9.952 -2.359 1.00 0.00 C ATOM 214 C GLU A 17 7.988 10.011 -1.200 1.00 0.00 C ATOM 215 O GLU A 17 8.273 11.079 -0.642 1.00 0.00 O ATOM 216 CB GLU A 17 7.613 10.150 -3.745 1.00 0.00 C ATOM 217 CG GLU A 17 8.939 9.420 -4.002 1.00 0.00 C ATOM 218 CD GLU A 17 10.150 10.229 -3.540 1.00 0.00 C ATOM 219 OE1 GLU A 17 10.195 11.456 -3.798 1.00 0.00 O ATOM 220 OE2 GLU A 17 11.075 9.639 -2.938 1.00 0.00 O ATOM 0 H GLU A 17 5.815 11.528 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 17 6.572 8.944 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.893 9.826 -4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.775 11.217 -3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.928 8.460 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.033 9.207 -5.067 1.00 0.00 H new ATOM 227 N GLY A 18 8.513 8.849 -0.820 1.00 0.00 N ATOM 228 CA GLY A 18 9.483 8.720 0.251 1.00 0.00 C ATOM 229 C GLY A 18 8.843 8.679 1.641 1.00 0.00 C ATOM 230 O GLY A 18 9.550 8.475 2.622 1.00 0.00 O ATOM 0 H GLY A 18 8.269 7.960 -1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.064 7.811 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.181 9.556 0.204 1.00 0.00 H new ATOM 234 N THR A 19 7.521 8.835 1.749 1.00 0.00 N ATOM 235 CA THR A 19 6.825 8.815 3.033 1.00 0.00 C ATOM 236 C THR A 19 6.429 7.385 3.412 1.00 0.00 C ATOM 237 O THR A 19 6.080 6.571 2.550 1.00 0.00 O ATOM 238 CB THR A 19 5.611 9.762 2.988 1.00 0.00 C ATOM 239 OG1 THR A 19 6.006 11.025 2.485 1.00 0.00 O ATOM 240 CG2 THR A 19 4.980 10.020 4.361 1.00 0.00 C ATOM 0 H THR A 19 6.906 8.978 0.948 1.00 0.00 H new ATOM 0 HA THR A 19 7.497 9.175 3.812 1.00 0.00 H new ATOM 0 HB THR A 19 4.879 9.264 2.352 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.716 11.111 1.553 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.131 10.695 4.250 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.640 9.077 4.788 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.719 10.472 5.022 1.00 0.00 H new ATOM 248 N ILE A 20 6.496 7.075 4.708 1.00 0.00 N ATOM 249 CA ILE A 20 6.132 5.776 5.253 1.00 0.00 C ATOM 250 C ILE A 20 4.612 5.773 5.466 1.00 0.00 C ATOM 251 O ILE A 20 4.029 6.760 5.922 1.00 0.00 O ATOM 252 CB ILE A 20 6.924 5.528 6.555 1.00 0.00 C ATOM 253 CG1 ILE A 20 8.430 5.329 6.280 1.00 0.00 C ATOM 254 CG2 ILE A 20 6.355 4.367 7.387 1.00 0.00 C ATOM 255 CD1 ILE A 20 8.820 3.964 5.702 1.00 0.00 C ATOM 0 H ILE A 20 6.812 7.736 5.418 1.00 0.00 H new ATOM 0 HA ILE A 20 6.386 4.961 4.575 1.00 0.00 H new ATOM 0 HB ILE A 20 6.809 6.431 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.761 6.105 5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.975 5.479 7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.952 4.240 8.290 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.324 4.588 7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.385 3.449 6.800 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.898 3.929 5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.528 3.177 6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.311 3.813 4.750 1.00 0.00 H new ATOM 267 N LEU A 21 3.962 4.651 5.165 1.00 0.00 N ATOM 268 CA LEU A 21 2.518 4.493 5.308 1.00 0.00 C ATOM 269 C LEU A 21 2.086 4.357 6.773 1.00 0.00 C ATOM 270 O LEU A 21 2.805 3.795 7.610 1.00 0.00 O ATOM 271 CB LEU A 21 2.042 3.289 4.478 1.00 0.00 C ATOM 272 CG LEU A 21 2.067 3.511 2.950 1.00 0.00 C ATOM 273 CD1 LEU A 21 1.646 2.242 2.205 1.00 0.00 C ATOM 274 CD2 LEU A 21 1.116 4.636 2.532 1.00 0.00 C ATOM 0 H LEU A 21 4.430 3.817 4.811 1.00 0.00 H new ATOM 0 HA LEU A 21 2.045 5.400 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.668 2.429 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.025 3.036 4.779 1.00 0.00 H new ATOM 0 HG LEU A 21 3.092 3.779 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.672 2.425 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.331 1.431 2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.634 1.965 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.159 4.765 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.098 4.381 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.413 5.564 3.020 1.00 0.00 H new ATOM 286 N THR A 22 0.875 4.828 7.070 1.00 0.00 N ATOM 287 CA THR A 22 0.212 4.820 8.371 1.00 0.00 C ATOM 288 C THR A 22 -1.289 4.656 8.110 1.00 0.00 C ATOM 289 O THR A 22 -1.755 4.982 7.010 1.00 0.00 O ATOM 290 CB THR A 22 0.483 6.137 9.126 1.00 0.00 C ATOM 291 OG1 THR A 22 0.228 7.249 8.297 1.00 0.00 O ATOM 292 CG2 THR A 22 1.921 6.232 9.635 1.00 0.00 C ATOM 0 H THR A 22 0.290 5.257 6.353 1.00 0.00 H new ATOM 0 HA THR A 22 0.590 4.006 8.989 1.00 0.00 H new ATOM 0 HB THR A 22 -0.190 6.141 9.983 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.404 8.075 8.794 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.060 7.178 10.159 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.121 5.406 10.318 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.610 6.180 8.792 1.00 0.00 H new ATOM 300 N MET A 23 -2.065 4.168 9.087 1.00 0.00 N ATOM 301 CA MET A 23 -3.506 4.015 8.878 1.00 0.00 C ATOM 302 C MET A 23 -4.181 5.387 8.751 1.00 0.00 C ATOM 303 O MET A 23 -5.243 5.501 8.142 1.00 0.00 O ATOM 304 CB MET A 23 -4.170 3.245 10.025 1.00 0.00 C ATOM 305 CG MET A 23 -3.871 1.745 10.004 1.00 0.00 C ATOM 306 SD MET A 23 -4.552 0.905 8.547 1.00 0.00 S ATOM 307 CE MET A 23 -4.192 -0.811 8.981 1.00 0.00 C ATOM 0 H MET A 23 -1.729 3.880 10.006 1.00 0.00 H new ATOM 0 HA MET A 23 -3.633 3.448 7.955 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.834 3.662 10.975 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.249 3.394 9.976 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.792 1.595 10.031 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.279 1.286 10.905 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.795 -1.477 8.363 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.135 -1.015 8.810 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.429 -0.978 10.032 1.00 0.00 H new ATOM 317 N ASP A 24 -3.577 6.444 9.306 1.00 0.00 N ATOM 318 CA ASP A 24 -4.115 7.805 9.253 1.00 0.00 C ATOM 319 C ASP A 24 -4.098 8.379 7.834 1.00 0.00 C ATOM 320 O ASP A 24 -4.741 9.392 7.581 1.00 0.00 O ATOM 321 CB ASP A 24 -3.352 8.714 10.219 1.00 0.00 C ATOM 322 CG ASP A 24 -4.150 9.972 10.577 1.00 0.00 C ATOM 323 OD1 ASP A 24 -5.118 9.876 11.373 1.00 0.00 O ATOM 324 OD2 ASP A 24 -3.711 11.090 10.229 1.00 0.00 O ATOM 0 H ASP A 24 -2.692 6.376 9.809 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.159 7.758 9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.119 8.161 11.129 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.402 9.003 9.770 1.00 0.00 H new ATOM 329 N MET A 25 -3.393 7.735 6.895 1.00 0.00 N ATOM 330 CA MET A 25 -3.305 8.162 5.501 1.00 0.00 C ATOM 331 C MET A 25 -3.943 7.124 4.569 1.00 0.00 C ATOM 332 O MET A 25 -3.805 7.239 3.353 1.00 0.00 O ATOM 333 CB MET A 25 -1.842 8.436 5.114 1.00 0.00 C ATOM 334 CG MET A 25 -1.187 9.505 5.996 1.00 0.00 C ATOM 335 SD MET A 25 0.442 10.100 5.437 1.00 0.00 S ATOM 336 CE MET A 25 1.367 8.551 5.273 1.00 0.00 C ATOM 0 H MET A 25 -2.860 6.888 7.091 1.00 0.00 H new ATOM 0 HA MET A 25 -3.863 9.091 5.389 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.271 7.510 5.188 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.799 8.754 4.072 1.00 0.00 H new ATOM 0 HG2 MET A 25 -1.862 10.358 6.063 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.081 9.103 7.004 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.403 8.713 5.570 1.00 0.00 H new ATOM 0 HE2 MET A 25 0.920 7.791 5.914 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.335 8.216 4.236 1.00 0.00 H new ATOM 346 N LEU A 26 -4.666 6.123 5.088 1.00 0.00 N ATOM 347 CA LEU A 26 -5.299 5.070 4.286 1.00 0.00 C ATOM 348 C LEU A 26 -6.759 4.836 4.674 1.00 0.00 C ATOM 349 O LEU A 26 -7.206 5.208 5.762 1.00 0.00 O ATOM 350 CB LEU A 26 -4.530 3.749 4.496 1.00 0.00 C ATOM 351 CG LEU A 26 -3.074 3.722 3.988 1.00 0.00 C ATOM 352 CD1 LEU A 26 -2.429 2.387 4.380 1.00 0.00 C ATOM 353 CD2 LEU A 26 -2.978 3.900 2.470 1.00 0.00 C ATOM 0 H LEU A 26 -4.829 6.021 6.090 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.271 5.394 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.526 3.521 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.081 2.949 4.001 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.550 4.559 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.399 2.362 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.440 2.282 5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.989 1.567 3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.932 3.873 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.521 3.095 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.413 4.859 2.188 1.00 0.00 H new ATOM 365 N THR A 27 -7.502 4.192 3.778 1.00 0.00 N ATOM 366 CA THR A 27 -8.903 3.805 3.890 1.00 0.00 C ATOM 367 C THR A 27 -9.146 2.673 2.881 1.00 0.00 C ATOM 368 O THR A 27 -8.271 2.381 2.070 1.00 0.00 O ATOM 369 CB THR A 27 -9.810 5.030 3.655 1.00 0.00 C ATOM 370 OG1 THR A 27 -11.169 4.727 3.882 1.00 0.00 O ATOM 371 CG2 THR A 27 -9.691 5.619 2.247 1.00 0.00 C ATOM 0 H THR A 27 -7.106 3.905 2.883 1.00 0.00 H new ATOM 0 HA THR A 27 -9.145 3.441 4.889 1.00 0.00 H new ATOM 0 HB THR A 27 -9.457 5.770 4.374 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.713 5.527 3.725 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.357 6.477 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.663 5.937 2.071 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.968 4.863 1.512 1.00 0.00 H new ATOM 379 N VAL A 28 -10.303 2.013 2.907 1.00 0.00 N ATOM 380 CA VAL A 28 -10.639 0.939 1.977 1.00 0.00 C ATOM 381 C VAL A 28 -11.960 1.324 1.327 1.00 0.00 C ATOM 382 O VAL A 28 -12.996 1.428 1.995 1.00 0.00 O ATOM 383 CB VAL A 28 -10.560 -0.478 2.591 1.00 0.00 C ATOM 384 CG1 VAL A 28 -10.865 -0.537 4.092 1.00 0.00 C ATOM 385 CG2 VAL A 28 -11.413 -1.490 1.804 1.00 0.00 C ATOM 0 H VAL A 28 -11.041 2.212 3.582 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.884 0.846 1.196 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.513 -0.765 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.787 -1.567 4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.151 0.083 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.875 -0.169 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.331 -2.473 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.455 -1.171 1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.058 -1.543 0.775 1.00 0.00 H new ATOM 395 N LYS A 29 -11.879 1.639 0.034 1.00 0.00 N ATOM 396 CA LYS A 29 -13.005 2.038 -0.786 1.00 0.00 C ATOM 397 C LYS A 29 -13.798 0.790 -1.130 1.00 0.00 C ATOM 398 O LYS A 29 -13.469 0.073 -2.077 1.00 0.00 O ATOM 399 CB LYS A 29 -12.521 2.808 -2.031 1.00 0.00 C ATOM 400 CG LYS A 29 -12.990 4.268 -2.112 1.00 0.00 C ATOM 401 CD LYS A 29 -12.807 5.087 -0.827 1.00 0.00 C ATOM 402 CE LYS A 29 -12.728 6.582 -1.147 1.00 0.00 C ATOM 403 NZ LYS A 29 -14.040 7.183 -1.459 1.00 0.00 N ATOM 0 H LYS A 29 -10.998 1.621 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.658 2.725 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.431 2.790 -2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.864 2.282 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.449 4.762 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.046 4.279 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.638 4.899 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.899 4.771 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.289 7.106 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.058 6.730 -1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.918 8.195 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.452 6.707 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.676 7.071 -0.644 1.00 0.00 H new ATOM 417 N VAL A 30 -14.783 0.496 -0.289 1.00 0.00 N ATOM 418 CA VAL A 30 -15.704 -0.621 -0.401 1.00 0.00 C ATOM 419 C VAL A 30 -16.343 -0.524 -1.792 1.00 0.00 C ATOM 420 O VAL A 30 -16.823 0.546 -2.184 1.00 0.00 O ATOM 421 CB VAL A 30 -16.667 -0.590 0.809 1.00 0.00 C ATOM 422 CG1 VAL A 30 -17.408 0.741 1.020 1.00 0.00 C ATOM 423 CG2 VAL A 30 -17.655 -1.755 0.811 1.00 0.00 C ATOM 0 H VAL A 30 -14.968 1.066 0.536 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.237 -1.604 -0.346 1.00 0.00 H new ATOM 0 HB VAL A 30 -15.997 -0.700 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -18.058 0.662 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -16.683 1.540 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -18.009 0.967 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -18.304 -1.680 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -18.259 -1.721 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -17.107 -2.697 0.847 1.00 0.00 H new ATOM 433 N GLY A 31 -16.263 -1.595 -2.580 1.00 0.00 N ATOM 434 CA GLY A 31 -16.815 -1.633 -3.920 1.00 0.00 C ATOM 435 C GLY A 31 -16.224 -2.755 -4.750 1.00 0.00 C ATOM 436 O GLY A 31 -16.955 -3.638 -5.186 1.00 0.00 O ATOM 0 H GLY A 31 -15.809 -2.464 -2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.896 -1.757 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.629 -0.680 -4.415 1.00 0.00 H new ATOM 440 N GLU A 32 -14.915 -2.740 -4.991 1.00 0.00 N ATOM 441 CA GLU A 32 -14.236 -3.766 -5.780 1.00 0.00 C ATOM 442 C GLU A 32 -12.804 -3.960 -5.283 1.00 0.00 C ATOM 443 O GLU A 32 -12.187 -2.983 -4.858 1.00 0.00 O ATOM 444 CB GLU A 32 -14.211 -3.377 -7.272 1.00 0.00 C ATOM 445 CG GLU A 32 -13.675 -1.962 -7.547 1.00 0.00 C ATOM 446 CD GLU A 32 -13.651 -1.561 -9.023 1.00 0.00 C ATOM 447 OE1 GLU A 32 -13.858 -2.404 -9.921 1.00 0.00 O ATOM 448 OE2 GLU A 32 -13.386 -0.363 -9.289 1.00 0.00 O ATOM 0 H GLU A 32 -14.292 -2.012 -4.643 1.00 0.00 H new ATOM 0 HA GLU A 32 -14.787 -4.699 -5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.597 -4.097 -7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.222 -3.455 -7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.286 -1.244 -7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.663 -1.888 -7.148 1.00 0.00 H new ATOM 455 N PRO A 33 -12.235 -5.175 -5.378 1.00 0.00 N ATOM 456 CA PRO A 33 -10.872 -5.465 -4.947 1.00 0.00 C ATOM 457 C PRO A 33 -9.851 -5.018 -6.021 1.00 0.00 C ATOM 458 O PRO A 33 -8.962 -5.770 -6.424 1.00 0.00 O ATOM 459 CB PRO A 33 -10.881 -6.975 -4.700 1.00 0.00 C ATOM 460 CG PRO A 33 -11.790 -7.483 -5.812 1.00 0.00 C ATOM 461 CD PRO A 33 -12.869 -6.400 -5.855 1.00 0.00 C ATOM 0 HA PRO A 33 -10.568 -4.924 -4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.881 -7.403 -4.765 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.270 -7.223 -3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.263 -7.573 -6.762 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.205 -8.465 -5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.252 -6.272 -6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.717 -6.670 -5.226 1.00 0.00 H new ATOM 469 N LYS A 34 -10.039 -3.823 -6.587 1.00 0.00 N ATOM 470 CA LYS A 34 -9.181 -3.236 -7.611 1.00 0.00 C ATOM 471 C LYS A 34 -8.036 -2.549 -6.883 1.00 0.00 C ATOM 472 O LYS A 34 -8.211 -1.408 -6.462 1.00 0.00 O ATOM 473 CB LYS A 34 -10.008 -2.254 -8.462 1.00 0.00 C ATOM 474 CG LYS A 34 -9.175 -1.501 -9.517 1.00 0.00 C ATOM 475 CD LYS A 34 -10.015 -0.529 -10.347 1.00 0.00 C ATOM 476 CE LYS A 34 -10.873 -1.322 -11.333 1.00 0.00 C ATOM 477 NZ LYS A 34 -12.082 -0.586 -11.724 1.00 0.00 N ATOM 0 H LYS A 34 -10.821 -3.219 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.776 -3.983 -8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.805 -2.803 -8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.486 -1.529 -7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.376 -0.951 -9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.699 -2.222 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.650 0.071 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.367 0.163 -10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.285 -1.552 -12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.157 -2.273 -10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.693 -1.202 -12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.596 -0.285 -10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.814 0.251 -12.281 1.00 0.00 H new ATOM 491 N GLY A 35 -6.914 -3.227 -6.672 1.00 0.00 N ATOM 492 CA GLY A 35 -5.749 -2.681 -5.997 1.00 0.00 C ATOM 493 C GLY A 35 -5.253 -3.658 -4.943 1.00 0.00 C ATOM 494 O GLY A 35 -5.096 -4.845 -5.243 1.00 0.00 O ATOM 0 H GLY A 35 -6.789 -4.193 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.959 -2.482 -6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.002 -1.728 -5.531 1.00 0.00 H new ATOM 498 N TYR A 36 -4.984 -3.165 -3.733 1.00 0.00 N ATOM 499 CA TYR A 36 -4.495 -3.950 -2.603 1.00 0.00 C ATOM 500 C TYR A 36 -5.666 -4.409 -1.732 1.00 0.00 C ATOM 501 O TYR A 36 -6.588 -3.613 -1.512 1.00 0.00 O ATOM 502 CB TYR A 36 -3.498 -3.126 -1.768 1.00 0.00 C ATOM 503 CG TYR A 36 -2.310 -3.981 -1.398 1.00 0.00 C ATOM 504 CD1 TYR A 36 -1.363 -4.246 -2.398 1.00 0.00 C ATOM 505 CD2 TYR A 36 -2.222 -4.632 -0.150 1.00 0.00 C ATOM 506 CE1 TYR A 36 -0.354 -5.187 -2.177 1.00 0.00 C ATOM 507 CE2 TYR A 36 -1.206 -5.581 0.074 1.00 0.00 C ATOM 508 CZ TYR A 36 -0.286 -5.888 -0.957 1.00 0.00 C ATOM 509 OH TYR A 36 0.692 -6.817 -0.760 1.00 0.00 O ATOM 0 H TYR A 36 -5.105 -2.178 -3.507 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.980 -4.830 -2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.168 -2.255 -2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.985 -2.754 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.414 -3.722 -3.341 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.932 -4.403 0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.379 -5.378 -2.947 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.129 -6.074 1.032 1.00 0.00 H new ATOM 0 HH TYR A 36 0.938 -7.220 -1.619 1.00 0.00 H new ATOM 519 N PRO A 37 -5.674 -5.646 -1.209 1.00 0.00 N ATOM 520 CA PRO A 37 -6.770 -6.127 -0.384 1.00 0.00 C ATOM 521 C PRO A 37 -6.736 -5.528 1.027 1.00 0.00 C ATOM 522 O PRO A 37 -5.656 -5.295 1.579 1.00 0.00 O ATOM 523 CB PRO A 37 -6.594 -7.646 -0.348 1.00 0.00 C ATOM 524 CG PRO A 37 -5.084 -7.829 -0.445 1.00 0.00 C ATOM 525 CD PRO A 37 -4.676 -6.696 -1.382 1.00 0.00 C ATOM 0 HA PRO A 37 -7.737 -5.832 -0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.992 -8.075 0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.111 -8.130 -1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.601 -7.745 0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.818 -8.806 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.679 -6.329 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.646 -7.038 -2.417 1.00 0.00 H new ATOM 533 N PRO A 38 -7.902 -5.331 1.670 1.00 0.00 N ATOM 534 CA PRO A 38 -7.981 -4.790 3.022 1.00 0.00 C ATOM 535 C PRO A 38 -7.599 -5.838 4.076 1.00 0.00 C ATOM 536 O PRO A 38 -7.630 -5.558 5.273 1.00 0.00 O ATOM 537 CB PRO A 38 -9.427 -4.329 3.179 1.00 0.00 C ATOM 538 CG PRO A 38 -10.207 -5.300 2.292 1.00 0.00 C ATOM 539 CD PRO A 38 -9.239 -5.565 1.140 1.00 0.00 C ATOM 0 HA PRO A 38 -7.278 -3.970 3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.755 -4.381 4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.557 -3.296 2.855 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.462 -6.217 2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.142 -4.864 1.941 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.339 -6.587 0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.445 -4.904 0.298 1.00 0.00 H new ATOM 547 N GLU A 39 -7.275 -7.057 3.655 1.00 0.00 N ATOM 548 CA GLU A 39 -6.882 -8.168 4.503 1.00 0.00 C ATOM 549 C GLU A 39 -5.401 -8.020 4.854 1.00 0.00 C ATOM 550 O GLU A 39 -5.023 -8.026 6.028 1.00 0.00 O ATOM 551 CB GLU A 39 -7.168 -9.472 3.757 1.00 0.00 C ATOM 552 CG GLU A 39 -8.688 -9.680 3.657 1.00 0.00 C ATOM 553 CD GLU A 39 -9.074 -11.050 3.116 1.00 0.00 C ATOM 554 OE1 GLU A 39 -8.431 -12.061 3.498 1.00 0.00 O ATOM 555 OE2 GLU A 39 -10.015 -11.111 2.294 1.00 0.00 O ATOM 0 H GLU A 39 -7.281 -7.304 2.665 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.447 -8.178 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.728 -9.438 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.709 -10.311 4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.131 -9.549 4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.112 -8.910 3.012 1.00 0.00 H new ATOM 562 N ASP A 40 -4.569 -7.799 3.835 1.00 0.00 N ATOM 563 CA ASP A 40 -3.122 -7.634 3.961 1.00 0.00 C ATOM 564 C ASP A 40 -2.751 -6.178 4.279 1.00 0.00 C ATOM 565 O ASP A 40 -1.565 -5.861 4.345 1.00 0.00 O ATOM 566 CB ASP A 40 -2.400 -8.109 2.677 1.00 0.00 C ATOM 567 CG ASP A 40 -2.362 -9.629 2.461 1.00 0.00 C ATOM 568 OD1 ASP A 40 -3.009 -10.388 3.219 1.00 0.00 O ATOM 569 OD2 ASP A 40 -1.680 -10.088 1.520 1.00 0.00 O ATOM 0 H ASP A 40 -4.894 -7.728 2.871 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.791 -8.255 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.887 -7.650 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.376 -7.737 2.699 1.00 0.00 H new ATOM 574 N ILE A 41 -3.731 -5.299 4.525 1.00 0.00 N ATOM 575 CA ILE A 41 -3.569 -3.874 4.822 1.00 0.00 C ATOM 576 C ILE A 41 -2.450 -3.553 5.820 1.00 0.00 C ATOM 577 O ILE A 41 -1.692 -2.605 5.612 1.00 0.00 O ATOM 578 CB ILE A 41 -4.924 -3.264 5.256 1.00 0.00 C ATOM 579 CG1 ILE A 41 -4.840 -1.720 5.309 1.00 0.00 C ATOM 580 CG2 ILE A 41 -5.434 -3.852 6.588 1.00 0.00 C ATOM 581 CD1 ILE A 41 -6.192 -1.031 5.541 1.00 0.00 C ATOM 0 H ILE A 41 -4.711 -5.581 4.521 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.243 -3.403 3.894 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.659 -3.537 4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.154 -1.430 6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.414 -1.357 4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.387 -3.391 6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.568 -4.929 6.483 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.708 -3.652 7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.050 0.049 5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.875 -1.289 4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.612 -1.364 6.490 1.00 0.00 H new ATOM 593 N PHE A 42 -2.308 -4.339 6.887 1.00 0.00 N ATOM 594 CA PHE A 42 -1.289 -4.104 7.902 1.00 0.00 C ATOM 595 C PHE A 42 0.123 -4.162 7.320 1.00 0.00 C ATOM 596 O PHE A 42 0.988 -3.414 7.774 1.00 0.00 O ATOM 597 CB PHE A 42 -1.483 -5.097 9.050 1.00 0.00 C ATOM 598 CG PHE A 42 -2.907 -5.118 9.573 1.00 0.00 C ATOM 599 CD1 PHE A 42 -3.460 -3.968 10.169 1.00 0.00 C ATOM 600 CD2 PHE A 42 -3.702 -6.265 9.407 1.00 0.00 C ATOM 601 CE1 PHE A 42 -4.805 -3.959 10.572 1.00 0.00 C ATOM 602 CE2 PHE A 42 -5.035 -6.268 9.845 1.00 0.00 C ATOM 603 CZ PHE A 42 -5.594 -5.107 10.404 1.00 0.00 C ATOM 0 H PHE A 42 -2.895 -5.153 7.069 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.406 -3.093 8.292 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.211 -6.096 8.710 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.805 -4.841 9.864 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.848 -3.091 10.316 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.286 -7.146 8.941 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.232 -3.069 11.011 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.632 -7.164 9.752 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.631 -5.098 10.705 1.00 0.00 H new ATOM 613 N ASN A 43 0.362 -4.995 6.300 1.00 0.00 N ATOM 614 CA ASN A 43 1.672 -5.127 5.657 1.00 0.00 C ATOM 615 C ASN A 43 2.084 -3.822 4.987 1.00 0.00 C ATOM 616 O ASN A 43 3.273 -3.541 4.851 1.00 0.00 O ATOM 617 CB ASN A 43 1.694 -6.197 4.557 1.00 0.00 C ATOM 618 CG ASN A 43 1.467 -7.619 5.047 1.00 0.00 C ATOM 619 OD1 ASN A 43 2.403 -8.356 5.350 1.00 0.00 O ATOM 620 ND2 ASN A 43 0.212 -8.028 5.100 1.00 0.00 N ATOM 0 H ASN A 43 -0.353 -5.599 5.896 1.00 0.00 H new ATOM 0 HA ASN A 43 2.354 -5.406 6.460 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.929 -5.955 3.819 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.656 -6.153 4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.002 -8.979 5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.543 -7.392 4.842 1.00 0.00 H new ATOM 627 N LEU A 44 1.105 -3.044 4.520 1.00 0.00 N ATOM 628 CA LEU A 44 1.341 -1.772 3.862 1.00 0.00 C ATOM 629 C LEU A 44 1.792 -0.742 4.880 1.00 0.00 C ATOM 630 O LEU A 44 2.665 0.074 4.593 1.00 0.00 O ATOM 631 CB LEU A 44 0.044 -1.242 3.230 1.00 0.00 C ATOM 632 CG LEU A 44 -0.584 -2.144 2.163 1.00 0.00 C ATOM 633 CD1 LEU A 44 -1.999 -1.635 1.901 1.00 0.00 C ATOM 634 CD2 LEU A 44 0.239 -2.074 0.878 1.00 0.00 C ATOM 0 H LEU A 44 0.117 -3.289 4.593 1.00 0.00 H new ATOM 0 HA LEU A 44 2.101 -1.930 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.687 -1.082 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.249 -0.269 2.784 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.607 -3.180 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.475 -2.258 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.578 -1.679 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.956 -0.604 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.211 -2.717 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.260 -1.047 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.257 -2.408 1.079 1.00 0.00 H new ATOM 646 N VAL A 45 1.143 -0.731 6.045 1.00 0.00 N ATOM 647 CA VAL A 45 1.421 0.208 7.121 1.00 0.00 C ATOM 648 C VAL A 45 2.809 -0.075 7.687 1.00 0.00 C ATOM 649 O VAL A 45 2.998 -0.903 8.580 1.00 0.00 O ATOM 650 CB VAL A 45 0.253 0.243 8.125 1.00 0.00 C ATOM 651 CG1 VAL A 45 0.586 1.049 9.387 1.00 0.00 C ATOM 652 CG2 VAL A 45 -0.957 0.889 7.439 1.00 0.00 C ATOM 0 H VAL A 45 0.396 -1.389 6.267 1.00 0.00 H new ATOM 0 HA VAL A 45 1.471 1.236 6.761 1.00 0.00 H new ATOM 0 HB VAL A 45 0.046 -0.782 8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.271 1.041 10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.445 0.602 9.888 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.821 2.077 9.111 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.795 0.923 8.135 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.702 1.902 7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.236 0.302 6.564 1.00 0.00 H new ATOM 662 N GLY A 46 3.782 0.654 7.144 1.00 0.00 N ATOM 663 CA GLY A 46 5.188 0.585 7.476 1.00 0.00 C ATOM 664 C GLY A 46 6.079 0.622 6.235 1.00 0.00 C ATOM 665 O GLY A 46 7.295 0.755 6.387 1.00 0.00 O ATOM 0 H GLY A 46 3.590 1.346 6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.446 1.417 8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.383 -0.331 8.033 1.00 0.00 H new ATOM 669 N LYS A 47 5.516 0.471 5.028 1.00 0.00 N ATOM 670 CA LYS A 47 6.275 0.510 3.778 1.00 0.00 C ATOM 671 C LYS A 47 6.445 1.955 3.346 1.00 0.00 C ATOM 672 O LYS A 47 5.755 2.833 3.873 1.00 0.00 O ATOM 673 CB LYS A 47 5.543 -0.245 2.658 1.00 0.00 C ATOM 674 CG LYS A 47 5.472 -1.747 2.922 1.00 0.00 C ATOM 675 CD LYS A 47 4.886 -2.470 1.708 1.00 0.00 C ATOM 676 CE LYS A 47 4.886 -3.977 1.958 1.00 0.00 C ATOM 677 NZ LYS A 47 4.359 -4.723 0.804 1.00 0.00 N ATOM 0 H LYS A 47 4.516 0.318 4.895 1.00 0.00 H new ATOM 0 HA LYS A 47 7.241 0.036 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.533 0.152 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.053 -0.069 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.468 -2.133 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.857 -1.940 3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.870 -2.122 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.471 -2.239 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.902 -4.310 2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.285 -4.199 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.375 -5.742 1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.381 -4.424 0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.948 -4.531 -0.032 1.00 0.00 H new ATOM 691 N LYS A 48 7.340 2.198 2.389 1.00 0.00 N ATOM 692 CA LYS A 48 7.606 3.522 1.847 1.00 0.00 C ATOM 693 C LYS A 48 7.082 3.565 0.420 1.00 0.00 C ATOM 694 O LYS A 48 7.204 2.570 -0.301 1.00 0.00 O ATOM 695 CB LYS A 48 9.111 3.802 1.891 1.00 0.00 C ATOM 696 CG LYS A 48 9.405 5.266 1.549 1.00 0.00 C ATOM 697 CD LYS A 48 10.814 5.684 1.975 1.00 0.00 C ATOM 698 CE LYS A 48 10.878 5.926 3.482 1.00 0.00 C ATOM 699 NZ LYS A 48 12.073 6.694 3.870 1.00 0.00 N ATOM 0 H LYS A 48 7.908 1.465 1.964 1.00 0.00 H new ATOM 0 HA LYS A 48 7.106 4.290 2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.499 3.571 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.627 3.149 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.291 5.417 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.673 5.907 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.528 4.909 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.105 6.591 1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.984 6.462 3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.878 4.968 4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.076 6.835 4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.928 6.172 3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.061 7.619 3.394 1.00 0.00 H new ATOM 713 N VAL A 49 6.467 4.682 0.036 1.00 0.00 N ATOM 714 CA VAL A 49 5.943 4.846 -1.311 1.00 0.00 C ATOM 715 C VAL A 49 7.063 5.265 -2.270 1.00 0.00 C ATOM 716 O VAL A 49 7.982 5.983 -1.866 1.00 0.00 O ATOM 717 CB VAL A 49 4.804 5.870 -1.329 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.529 5.351 -0.664 1.00 0.00 C ATOM 719 CG2 VAL A 49 5.129 7.227 -0.729 1.00 0.00 C ATOM 0 H VAL A 49 6.321 5.488 0.644 1.00 0.00 H new ATOM 0 HA VAL A 49 5.542 3.889 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 49 4.647 6.016 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.757 6.120 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.183 4.460 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.737 5.103 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.253 7.873 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.413 7.104 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.955 7.679 -1.278 1.00 0.00 H new ATOM 729 N LEU A 50 6.938 4.881 -3.544 1.00 0.00 N ATOM 730 CA LEU A 50 7.896 5.162 -4.609 1.00 0.00 C ATOM 731 C LEU A 50 7.441 6.325 -5.493 1.00 0.00 C ATOM 732 O LEU A 50 8.210 6.782 -6.342 1.00 0.00 O ATOM 733 CB LEU A 50 8.107 3.889 -5.453 1.00 0.00 C ATOM 734 CG LEU A 50 8.824 2.747 -4.701 1.00 0.00 C ATOM 735 CD1 LEU A 50 8.767 1.458 -5.524 1.00 0.00 C ATOM 736 CD2 LEU A 50 10.289 3.096 -4.403 1.00 0.00 C ATOM 0 H LEU A 50 6.134 4.345 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 50 8.840 5.460 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.138 3.530 -5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.686 4.146 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 50 8.307 2.605 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.276 0.659 -4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.727 1.178 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.258 1.617 -6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.760 2.268 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.818 3.275 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.331 3.993 -3.785 1.00 0.00 H new ATOM 748 N VAL A 51 6.191 6.782 -5.343 1.00 0.00 N ATOM 749 CA VAL A 51 5.621 7.904 -6.094 1.00 0.00 C ATOM 750 C VAL A 51 4.676 8.688 -5.184 1.00 0.00 C ATOM 751 O VAL A 51 4.245 8.171 -4.147 1.00 0.00 O ATOM 752 CB VAL A 51 4.913 7.471 -7.400 1.00 0.00 C ATOM 753 CG1 VAL A 51 5.872 6.846 -8.408 1.00 0.00 C ATOM 754 CG2 VAL A 51 3.762 6.491 -7.186 1.00 0.00 C ATOM 0 H VAL A 51 5.534 6.371 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 51 6.445 8.543 -6.411 1.00 0.00 H new ATOM 0 HB VAL A 51 4.511 8.405 -7.791 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.322 6.561 -9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.645 7.568 -8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.335 5.962 -7.970 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.318 6.236 -8.148 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.139 5.586 -6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.007 6.950 -6.548 1.00 0.00 H new ATOM 764 N THR A 52 4.381 9.933 -5.545 1.00 0.00 N ATOM 765 CA THR A 52 3.493 10.800 -4.797 1.00 0.00 C ATOM 766 C THR A 52 2.063 10.383 -5.126 1.00 0.00 C ATOM 767 O THR A 52 1.558 10.697 -6.203 1.00 0.00 O ATOM 768 CB THR A 52 3.825 12.254 -5.156 1.00 0.00 C ATOM 769 OG1 THR A 52 5.057 12.567 -4.528 1.00 0.00 O ATOM 770 CG2 THR A 52 2.773 13.278 -4.725 1.00 0.00 C ATOM 0 H THR A 52 4.763 10.371 -6.383 1.00 0.00 H new ATOM 0 HA THR A 52 3.614 10.715 -3.717 1.00 0.00 H new ATOM 0 HB THR A 52 3.865 12.320 -6.243 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.761 11.982 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.094 14.277 -5.021 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.822 13.046 -5.204 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.652 13.242 -3.642 1.00 0.00 H new ATOM 778 N VAL A 53 1.446 9.611 -4.241 1.00 0.00 N ATOM 779 CA VAL A 53 0.076 9.156 -4.416 1.00 0.00 C ATOM 780 C VAL A 53 -0.825 10.363 -4.167 1.00 0.00 C ATOM 781 O VAL A 53 -0.465 11.237 -3.375 1.00 0.00 O ATOM 782 CB VAL A 53 -0.264 8.046 -3.402 1.00 0.00 C ATOM 783 CG1 VAL A 53 -1.601 7.392 -3.754 1.00 0.00 C ATOM 784 CG2 VAL A 53 0.809 6.956 -3.328 1.00 0.00 C ATOM 0 H VAL A 53 1.884 9.283 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.064 8.748 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.319 8.532 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.826 6.611 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.390 8.144 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.541 6.955 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.513 6.203 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.921 6.488 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.758 7.400 -3.028 1.00 0.00 H new ATOM 794 N GLU A 54 -1.988 10.423 -4.801 1.00 0.00 N ATOM 795 CA GLU A 54 -2.947 11.501 -4.622 1.00 0.00 C ATOM 796 C GLU A 54 -4.083 11.021 -3.715 1.00 0.00 C ATOM 797 O GLU A 54 -4.195 9.839 -3.391 1.00 0.00 O ATOM 798 CB GLU A 54 -3.457 11.965 -5.988 1.00 0.00 C ATOM 799 CG GLU A 54 -2.365 12.763 -6.706 1.00 0.00 C ATOM 800 CD GLU A 54 -2.939 13.605 -7.842 1.00 0.00 C ATOM 801 OE1 GLU A 54 -3.762 13.074 -8.624 1.00 0.00 O ATOM 802 OE2 GLU A 54 -2.623 14.821 -7.884 1.00 0.00 O ATOM 0 H GLU A 54 -2.295 9.712 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.474 12.357 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.746 11.104 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.348 12.581 -5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.859 13.412 -5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.615 12.079 -7.103 1.00 0.00 H new ATOM 809 N GLU A 55 -4.917 11.950 -3.251 1.00 0.00 N ATOM 810 CA GLU A 55 -6.043 11.602 -2.391 1.00 0.00 C ATOM 811 C GLU A 55 -6.986 10.664 -3.163 1.00 0.00 C ATOM 812 O GLU A 55 -7.190 10.846 -4.367 1.00 0.00 O ATOM 813 CB GLU A 55 -6.732 12.894 -1.910 1.00 0.00 C ATOM 814 CG GLU A 55 -8.038 12.621 -1.146 1.00 0.00 C ATOM 815 CD GLU A 55 -8.679 13.864 -0.523 1.00 0.00 C ATOM 816 OE1 GLU A 55 -8.050 14.945 -0.445 1.00 0.00 O ATOM 817 OE2 GLU A 55 -9.849 13.781 -0.083 1.00 0.00 O ATOM 0 H GLU A 55 -4.834 12.946 -3.456 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.713 11.068 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.048 13.447 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.945 13.529 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.754 12.161 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.838 11.896 -0.357 1.00 0.00 H new ATOM 824 N ASP A 56 -7.586 9.704 -2.456 1.00 0.00 N ATOM 825 CA ASP A 56 -8.527 8.688 -2.930 1.00 0.00 C ATOM 826 C ASP A 56 -7.993 7.805 -4.066 1.00 0.00 C ATOM 827 O ASP A 56 -8.756 7.052 -4.671 1.00 0.00 O ATOM 828 CB ASP A 56 -9.962 9.249 -3.084 1.00 0.00 C ATOM 829 CG ASP A 56 -10.373 9.730 -4.481 1.00 0.00 C ATOM 830 OD1 ASP A 56 -10.126 10.901 -4.843 1.00 0.00 O ATOM 831 OD2 ASP A 56 -11.036 8.959 -5.220 1.00 0.00 O ATOM 0 H ASP A 56 -7.412 9.610 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.626 7.948 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.664 8.476 -2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.077 10.082 -2.391 1.00 0.00 H new ATOM 836 N ASP A 57 -6.683 7.842 -4.336 1.00 0.00 N ATOM 837 CA ASP A 57 -6.042 7.058 -5.388 1.00 0.00 C ATOM 838 C ASP A 57 -5.824 5.595 -4.977 1.00 0.00 C ATOM 839 O ASP A 57 -5.706 5.269 -3.790 1.00 0.00 O ATOM 840 CB ASP A 57 -4.711 7.692 -5.793 1.00 0.00 C ATOM 841 CG ASP A 57 -4.240 7.249 -7.178 1.00 0.00 C ATOM 842 OD1 ASP A 57 -5.087 6.797 -7.990 1.00 0.00 O ATOM 843 OD2 ASP A 57 -3.068 7.516 -7.521 1.00 0.00 O ATOM 0 H ASP A 57 -6.030 8.430 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.719 7.060 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.812 8.777 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.951 7.433 -5.056 1.00 0.00 H new ATOM 848 N THR A 58 -5.768 4.699 -5.960 1.00 0.00 N ATOM 849 CA THR A 58 -5.595 3.266 -5.768 1.00 0.00 C ATOM 850 C THR A 58 -4.123 2.895 -5.549 1.00 0.00 C ATOM 851 O THR A 58 -3.295 3.027 -6.446 1.00 0.00 O ATOM 852 CB THR A 58 -6.202 2.501 -6.962 1.00 0.00 C ATOM 853 OG1 THR A 58 -7.526 2.933 -7.261 1.00 0.00 O ATOM 854 CG2 THR A 58 -6.263 1.005 -6.657 1.00 0.00 C ATOM 0 H THR A 58 -5.845 4.962 -6.943 1.00 0.00 H new ATOM 0 HA THR A 58 -6.126 2.974 -4.862 1.00 0.00 H new ATOM 0 HB THR A 58 -5.557 2.702 -7.817 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.872 2.424 -8.024 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.693 0.477 -7.508 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.257 0.631 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.882 0.838 -5.776 1.00 0.00 H new ATOM 862 N ILE A 59 -3.791 2.429 -4.343 1.00 0.00 N ATOM 863 CA ILE A 59 -2.435 2.011 -4.001 1.00 0.00 C ATOM 864 C ILE A 59 -2.205 0.621 -4.634 1.00 0.00 C ATOM 865 O ILE A 59 -3.131 -0.199 -4.648 1.00 0.00 O ATOM 866 CB ILE A 59 -2.320 1.977 -2.453 1.00 0.00 C ATOM 867 CG1 ILE A 59 -2.515 3.351 -1.752 1.00 0.00 C ATOM 868 CG2 ILE A 59 -1.081 1.230 -1.913 1.00 0.00 C ATOM 869 CD1 ILE A 59 -1.289 4.258 -1.704 1.00 0.00 C ATOM 0 H ILE A 59 -4.458 2.332 -3.577 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.676 2.695 -4.381 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.183 1.373 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.318 3.885 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.849 3.171 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.085 1.258 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.106 0.193 -2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.176 1.710 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.543 5.187 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.486 3.755 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.961 4.481 -2.719 1.00 0.00 H new ATOM 881 N MET A 60 -0.987 0.334 -5.107 1.00 0.00 N ATOM 882 CA MET A 60 -0.585 -0.930 -5.743 1.00 0.00 C ATOM 883 C MET A 60 0.757 -1.409 -5.189 1.00 0.00 C ATOM 884 O MET A 60 1.501 -0.620 -4.603 1.00 0.00 O ATOM 885 CB MET A 60 -0.493 -0.751 -7.269 1.00 0.00 C ATOM 886 CG MET A 60 -1.842 -0.895 -7.966 1.00 0.00 C ATOM 887 SD MET A 60 -2.515 -2.577 -7.892 1.00 0.00 S ATOM 888 CE MET A 60 -3.150 -2.717 -9.578 1.00 0.00 C ATOM 0 H MET A 60 -0.220 1.004 -5.056 1.00 0.00 H new ATOM 0 HA MET A 60 -1.340 -1.683 -5.519 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.079 0.233 -7.490 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.200 -1.487 -7.675 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.554 -0.207 -7.510 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.737 -0.599 -9.010 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.604 -3.698 -9.715 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.898 -1.943 -9.750 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.331 -2.594 -10.287 1.00 0.00 H new ATOM 898 N GLU A 61 1.095 -2.695 -5.353 1.00 0.00 N ATOM 899 CA GLU A 61 2.352 -3.256 -4.847 1.00 0.00 C ATOM 900 C GLU A 61 3.565 -2.686 -5.584 1.00 0.00 C ATOM 901 O GLU A 61 4.623 -2.550 -4.982 1.00 0.00 O ATOM 902 CB GLU A 61 2.344 -4.802 -4.863 1.00 0.00 C ATOM 903 CG GLU A 61 3.125 -5.361 -3.659 1.00 0.00 C ATOM 904 CD GLU A 61 2.932 -6.863 -3.401 1.00 0.00 C ATOM 905 OE1 GLU A 61 1.790 -7.288 -3.114 1.00 0.00 O ATOM 906 OE2 GLU A 61 3.945 -7.601 -3.384 1.00 0.00 O ATOM 0 H GLU A 61 0.507 -3.372 -5.838 1.00 0.00 H new ATOM 0 HA GLU A 61 2.438 -2.951 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.317 -5.166 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.788 -5.164 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.187 -5.167 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.827 -4.813 -2.765 1.00 0.00 H new ATOM 913 N GLU A 62 3.433 -2.292 -6.851 1.00 0.00 N ATOM 914 CA GLU A 62 4.554 -1.726 -7.615 1.00 0.00 C ATOM 915 C GLU A 62 4.892 -0.295 -7.186 1.00 0.00 C ATOM 916 O GLU A 62 5.917 0.245 -7.600 1.00 0.00 O ATOM 917 CB GLU A 62 4.247 -1.769 -9.122 1.00 0.00 C ATOM 918 CG GLU A 62 3.006 -0.970 -9.559 1.00 0.00 C ATOM 919 CD GLU A 62 2.475 -1.542 -10.869 1.00 0.00 C ATOM 920 OE1 GLU A 62 1.790 -2.591 -10.808 1.00 0.00 O ATOM 921 OE2 GLU A 62 2.855 -1.054 -11.964 1.00 0.00 O ATOM 0 H GLU A 62 2.560 -2.353 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 62 5.429 -2.341 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.113 -1.390 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.114 -2.809 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.237 -1.020 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.262 0.082 -9.685 1.00 0.00 H new ATOM 928 N LEU A 63 4.028 0.331 -6.383 1.00 0.00 N ATOM 929 CA LEU A 63 4.196 1.692 -5.899 1.00 0.00 C ATOM 930 C LEU A 63 4.860 1.723 -4.526 1.00 0.00 C ATOM 931 O LEU A 63 5.101 2.813 -4.010 1.00 0.00 O ATOM 932 CB LEU A 63 2.832 2.401 -5.840 1.00 0.00 C ATOM 933 CG LEU A 63 2.053 2.401 -7.182 1.00 0.00 C ATOM 934 CD1 LEU A 63 0.703 3.123 -7.091 1.00 0.00 C ATOM 935 CD2 LEU A 63 2.820 3.036 -8.335 1.00 0.00 C ATOM 0 H LEU A 63 3.173 -0.111 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 63 4.849 2.216 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.219 1.921 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.985 3.432 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 63 1.903 1.340 -7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.206 3.089 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.077 2.632 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.865 4.162 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.213 3.000 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.048 4.074 -8.092 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.749 2.489 -8.499 1.00 0.00 H new ATOM 947 N VAL A 64 5.127 0.586 -3.886 1.00 0.00 N ATOM 948 CA VAL A 64 5.765 0.526 -2.577 1.00 0.00 C ATOM 949 C VAL A 64 7.027 -0.311 -2.690 1.00 0.00 C ATOM 950 O VAL A 64 7.060 -1.311 -3.413 1.00 0.00 O ATOM 951 CB VAL A 64 4.826 -0.047 -1.491 1.00 0.00 C ATOM 952 CG1 VAL A 64 3.789 0.974 -1.010 1.00 0.00 C ATOM 953 CG2 VAL A 64 4.080 -1.321 -1.920 1.00 0.00 C ATOM 0 H VAL A 64 4.902 -0.332 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 64 6.012 1.541 -2.266 1.00 0.00 H new ATOM 0 HB VAL A 64 5.503 -0.301 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.156 0.519 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.299 1.840 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.173 1.291 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.442 -1.661 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.467 -1.106 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.802 -2.100 -2.165 1.00 0.00 H new ATOM 963 N ASP A 65 8.093 0.106 -2.013 1.00 0.00 N ATOM 964 CA ASP A 65 9.317 -0.686 -2.050 1.00 0.00 C ATOM 965 C ASP A 65 9.073 -1.911 -1.168 1.00 0.00 C ATOM 966 O ASP A 65 8.107 -1.964 -0.392 1.00 0.00 O ATOM 967 CB ASP A 65 10.509 0.102 -1.500 1.00 0.00 C ATOM 968 CG ASP A 65 11.851 -0.606 -1.678 1.00 0.00 C ATOM 969 OD1 ASP A 65 11.987 -1.518 -2.523 1.00 0.00 O ATOM 970 OD2 ASP A 65 12.772 -0.302 -0.884 1.00 0.00 O ATOM 0 H ASP A 65 8.136 0.956 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 65 9.553 -0.960 -3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.552 1.072 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.348 0.294 -0.439 1.00 0.00 H new