USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 461 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.31) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 69:sc= 1.05 USER MOD Single : P 11 SER OG : rot -40:sc= 0.24 USER MOD Single : P 17 SER OG : rot 78:sc= 0.418 USER MOD Single : P 18 THR OG1 : rot -76:sc= 1.27 USER MOD Single : P 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 23 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : P 24 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : P 27 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : P 28 ASN :FLIP amide:sc= -1.39 F(o=-1.9!,f=-1.4) USER MOD Single : P 30 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.22) USER MOD Single : P 31 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.8) USER MOD Single : P 35 ASN : amide:sc= -0.0349 K(o=-0.035,f=-1.8!) USER MOD Single : P 51 MET CE :methyl -112:sc= -0.715 (180deg=-2.22!) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU P 3 -10.535 30.550 14.339 1.00 1.00 N ATOM 31 CA GLU P 3 -9.700 30.188 15.479 1.00 1.00 C ATOM 32 C GLU P 3 -9.485 28.677 15.535 1.00 1.00 C ATOM 33 O GLU P 3 -8.412 28.205 15.910 1.00 1.00 O ATOM 34 CB GLU P 3 -10.351 30.671 16.777 1.00 1.00 C ATOM 35 CG GLU P 3 -11.711 29.991 16.966 1.00 1.00 C ATOM 36 CD GLU P 3 -12.395 30.539 18.213 1.00 1.00 C ATOM 37 OE1 GLU P 3 -11.750 31.279 18.939 1.00 1.00 O ATOM 38 OE2 GLU P 3 -13.550 30.211 18.424 1.00 1.00 O ATOM 0 HA GLU P 3 -8.729 30.670 15.362 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -9.702 30.447 17.624 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -10.477 31.753 16.749 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -12.338 30.163 16.091 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -11.579 28.913 17.057 1.00 1.00 H new ATOM 45 N LYS P 4 -10.515 27.926 15.160 1.00 1.00 N ATOM 46 CA LYS P 4 -10.436 26.470 15.170 1.00 1.00 C ATOM 47 C LYS P 4 -9.376 25.981 14.191 1.00 1.00 C ATOM 48 O LYS P 4 -8.619 25.057 14.487 1.00 1.00 O ATOM 49 CB LYS P 4 -11.794 25.867 14.803 1.00 1.00 C ATOM 50 CG LYS P 4 -12.800 26.148 15.922 1.00 1.00 C ATOM 51 CD LYS P 4 -14.161 25.559 15.545 1.00 1.00 C ATOM 52 CE LYS P 4 -15.166 25.826 16.666 1.00 1.00 C ATOM 53 NZ LYS P 4 -16.494 25.265 16.287 1.00 1.00 N ATOM 0 H LYS P 4 -11.411 28.300 14.847 1.00 1.00 H new ATOM 0 HA LYS P 4 -10.159 26.150 16.174 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -12.150 26.292 13.865 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -11.696 24.792 14.649 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -12.450 25.712 16.858 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -12.889 27.222 16.084 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -14.514 26.002 14.614 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -14.069 24.486 15.374 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -14.820 25.373 17.595 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -15.250 26.898 16.846 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -17.178 25.446 17.049 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -16.824 25.717 15.411 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -16.408 24.240 16.136 1.00 1.00 H new ATOM 67 N VAL P 5 -9.331 26.610 13.028 1.00 1.00 N ATOM 68 CA VAL P 5 -8.361 26.234 12.009 1.00 1.00 C ATOM 69 C VAL P 5 -6.945 26.472 12.519 1.00 1.00 C ATOM 70 O VAL P 5 -6.068 25.619 12.377 1.00 1.00 O ATOM 71 CB VAL P 5 -8.599 27.044 10.730 1.00 1.00 C ATOM 72 CG1 VAL P 5 -7.482 26.764 9.721 1.00 1.00 C ATOM 73 CG2 VAL P 5 -9.943 26.641 10.118 1.00 1.00 C ATOM 0 H VAL P 5 -9.949 27.378 12.766 1.00 1.00 H new ATOM 0 HA VAL P 5 -8.482 25.174 11.784 1.00 1.00 H new ATOM 0 HB VAL P 5 -8.606 28.106 10.974 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -7.657 27.343 8.814 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -6.522 27.048 10.153 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -7.470 25.702 9.477 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -10.115 27.216 9.208 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -9.930 25.578 9.879 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -10.742 26.842 10.831 1.00 1.00 H new ATOM 83 N GLN P 6 -6.733 27.635 13.113 1.00 1.00 N ATOM 84 CA GLN P 6 -5.421 27.980 13.644 1.00 1.00 C ATOM 85 C GLN P 6 -5.044 27.033 14.774 1.00 1.00 C ATOM 86 O GLN P 6 -3.940 26.487 14.806 1.00 1.00 O ATOM 87 CB GLN P 6 -5.423 29.421 14.159 1.00 1.00 C ATOM 88 CG GLN P 6 -5.663 30.392 12.999 1.00 1.00 C ATOM 89 CD GLN P 6 -4.487 30.347 12.031 1.00 1.00 C ATOM 90 OE1 GLN P 6 -3.340 30.518 12.440 1.00 1.00 O ATOM 91 NE2 GLN P 6 -4.705 30.123 10.765 1.00 1.00 N ATOM 0 H GLN P 6 -7.446 28.353 13.240 1.00 1.00 H new ATOM 0 HA GLN P 6 -4.688 27.887 12.843 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -6.199 29.545 14.914 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -4.471 29.645 14.641 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -6.584 30.129 12.478 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -5.791 31.404 13.382 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -5.658 29.982 10.429 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -3.923 30.089 10.111 1.00 1.00 H new ATOM 100 N TYR P 7 -5.969 26.839 15.698 1.00 1.00 N ATOM 101 CA TYR P 7 -5.725 25.952 16.824 1.00 1.00 C ATOM 102 C TYR P 7 -5.488 24.533 16.325 1.00 1.00 C ATOM 103 O TYR P 7 -4.503 23.890 16.685 1.00 1.00 O ATOM 104 CB TYR P 7 -6.930 25.978 17.769 1.00 1.00 C ATOM 105 CG TYR P 7 -6.746 24.955 18.868 1.00 1.00 C ATOM 106 CD1 TYR P 7 -5.925 25.242 19.963 1.00 1.00 C ATOM 107 CD2 TYR P 7 -7.402 23.718 18.789 1.00 1.00 C ATOM 108 CE1 TYR P 7 -5.757 24.293 20.980 1.00 1.00 C ATOM 109 CE2 TYR P 7 -7.234 22.770 19.805 1.00 1.00 C ATOM 110 CZ TYR P 7 -6.412 23.057 20.901 1.00 1.00 C ATOM 111 OH TYR P 7 -6.248 22.122 21.904 1.00 1.00 O ATOM 0 H TYR P 7 -6.889 27.279 15.692 1.00 1.00 H new ATOM 0 HA TYR P 7 -4.839 26.290 17.362 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -7.043 26.972 18.201 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -7.843 25.767 17.213 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -5.421 26.195 20.025 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -8.037 23.497 17.944 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -5.122 24.514 21.825 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -7.739 21.817 19.743 1.00 1.00 H new ATOM 0 HH TYR P 7 -6.773 21.321 21.694 1.00 1.00 H new ATOM 121 N LEU P 8 -6.404 24.052 15.491 1.00 1.00 N ATOM 122 CA LEU P 8 -6.289 22.709 14.946 1.00 1.00 C ATOM 123 C LEU P 8 -4.887 22.498 14.367 1.00 1.00 C ATOM 124 O LEU P 8 -4.316 21.421 14.512 1.00 1.00 O ATOM 125 CB LEU P 8 -7.349 22.493 13.850 1.00 1.00 C ATOM 126 CG LEU P 8 -8.735 22.206 14.474 1.00 1.00 C ATOM 127 CD1 LEU P 8 -9.828 22.474 13.435 1.00 1.00 C ATOM 128 CD2 LEU P 8 -8.843 20.734 14.908 1.00 1.00 C ATOM 0 H LEU P 8 -7.227 24.569 15.181 1.00 1.00 H new ATOM 0 HA LEU P 8 -6.455 21.987 15.746 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -7.407 23.377 13.215 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -7.054 21.661 13.211 1.00 1.00 H new ATOM 0 HG LEU P 8 -8.857 22.854 15.342 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -10.805 22.272 13.874 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -9.781 23.516 13.118 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -9.677 21.825 12.572 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -9.826 20.554 15.344 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -8.707 20.088 14.041 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -8.073 20.515 15.647 1.00 1.00 H new ATOM 140 N THR P 9 -4.335 23.522 13.716 1.00 1.00 N ATOM 141 CA THR P 9 -2.996 23.399 13.135 1.00 1.00 C ATOM 142 C THR P 9 -1.971 23.098 14.226 1.00 1.00 C ATOM 143 O THR P 9 -1.158 22.175 14.101 1.00 1.00 O ATOM 144 CB THR P 9 -2.601 24.697 12.424 1.00 1.00 C ATOM 145 OG1 THR P 9 -3.521 24.959 11.373 1.00 1.00 O ATOM 146 CG2 THR P 9 -1.186 24.561 11.853 1.00 1.00 C ATOM 0 H THR P 9 -4.782 24.428 13.579 1.00 1.00 H new ATOM 0 HA THR P 9 -3.013 22.581 12.414 1.00 1.00 H new ATOM 0 HB THR P 9 -2.621 25.522 13.136 1.00 1.00 H new ATOM 0 HG1 THR P 9 -4.396 25.183 11.753 1.00 1.00 H new ATOM 0 HG21 THR P 9 -0.907 25.486 11.348 1.00 1.00 H new ATOM 0 HG22 THR P 9 -0.484 24.364 12.663 1.00 1.00 H new ATOM 0 HG23 THR P 9 -1.159 23.736 11.141 1.00 1.00 H new ATOM 154 N ARG P 10 -2.009 23.870 15.306 1.00 1.00 N ATOM 155 CA ARG P 10 -1.074 23.646 16.389 1.00 1.00 C ATOM 156 C ARG P 10 -1.303 22.255 16.942 1.00 1.00 C ATOM 157 O ARG P 10 -0.369 21.508 17.194 1.00 1.00 O ATOM 158 CB ARG P 10 -1.263 24.700 17.481 1.00 1.00 C ATOM 159 CG ARG P 10 -0.201 24.506 18.561 1.00 1.00 C ATOM 160 CD ARG P 10 -0.306 25.634 19.584 1.00 1.00 C ATOM 161 NE ARG P 10 -1.579 25.555 20.287 1.00 1.00 N ATOM 162 CZ ARG P 10 -1.956 26.500 21.141 1.00 1.00 C ATOM 163 NH1 ARG P 10 -1.187 27.531 21.359 1.00 1.00 N ATOM 164 NH2 ARG P 10 -3.099 26.396 21.761 1.00 1.00 N ATOM 0 H ARG P 10 -2.664 24.639 15.449 1.00 1.00 H new ATOM 0 HA ARG P 10 -0.051 23.729 16.021 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -1.185 25.700 17.054 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -2.259 24.615 17.915 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -0.337 23.542 19.051 1.00 1.00 H new ATOM 0 HG3 ARG P 10 0.792 24.498 18.112 1.00 1.00 H new ATOM 0 HD2 ARG P 10 0.516 25.567 20.296 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -0.217 26.598 19.084 1.00 1.00 H new ATOM 0 HE ARG P 10 -2.193 24.758 20.120 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -0.294 27.613 20.873 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -1.479 28.255 22.015 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -3.701 25.590 21.590 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -3.391 27.120 22.417 1.00 1.00 H new ATOM 178 N SER P 11 -2.561 21.913 17.119 1.00 1.00 N ATOM 179 CA SER P 11 -2.913 20.604 17.637 1.00 1.00 C ATOM 180 C SER P 11 -2.574 19.539 16.603 1.00 1.00 C ATOM 181 O SER P 11 -2.279 18.404 16.931 1.00 1.00 O ATOM 182 CB SER P 11 -4.403 20.553 17.947 1.00 1.00 C ATOM 183 OG SER P 11 -5.116 20.316 16.739 1.00 1.00 O ATOM 0 H SER P 11 -3.356 22.519 16.914 1.00 1.00 H new ATOM 0 HA SER P 11 -2.349 20.418 18.551 1.00 1.00 H new ATOM 0 HB2 SER P 11 -4.611 19.763 18.669 1.00 1.00 H new ATOM 0 HB3 SER P 11 -4.727 21.491 18.398 1.00 1.00 H new ATOM 0 HG SER P 11 -4.706 20.828 16.011 1.00 1.00 H new ATOM 189 N ALA P 12 -2.615 19.922 15.343 1.00 1.00 N ATOM 190 CA ALA P 12 -2.309 18.978 14.282 1.00 1.00 C ATOM 191 C ALA P 12 -0.971 18.344 14.571 1.00 1.00 C ATOM 192 O ALA P 12 -0.771 17.155 14.337 1.00 1.00 O ATOM 193 CB ALA P 12 -2.287 19.661 12.908 1.00 1.00 C ATOM 0 H ALA P 12 -2.853 20.863 15.030 1.00 1.00 H new ATOM 0 HA ALA P 12 -3.088 18.217 14.252 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -2.055 18.924 12.139 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -3.263 20.102 12.705 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -1.527 20.443 12.902 1.00 1.00 H new ATOM 199 N ILE P 13 -0.048 19.151 15.091 1.00 1.00 N ATOM 200 CA ILE P 13 1.292 18.632 15.414 1.00 1.00 C ATOM 201 C ILE P 13 1.276 17.841 16.736 1.00 1.00 C ATOM 202 O ILE P 13 1.912 16.790 16.834 1.00 1.00 O ATOM 203 CB ILE P 13 2.359 19.784 15.429 1.00 1.00 C ATOM 204 CG1 ILE P 13 3.711 19.276 14.887 1.00 1.00 C ATOM 205 CG2 ILE P 13 2.596 20.328 16.847 1.00 1.00 C ATOM 206 CD1 ILE P 13 4.729 20.422 14.893 1.00 1.00 C ATOM 0 H ILE P 13 -0.190 20.140 15.295 1.00 1.00 H new ATOM 0 HA ILE P 13 1.584 17.937 14.627 1.00 1.00 H new ATOM 0 HB ILE P 13 1.965 20.581 14.798 1.00 1.00 H new ATOM 0 HG12 ILE P 13 4.073 18.451 15.500 1.00 1.00 H new ATOM 0 HG13 ILE P 13 3.587 18.891 13.875 1.00 1.00 H new ATOM 0 HG21 ILE P 13 3.341 21.123 16.812 1.00 1.00 H new ATOM 0 HG22 ILE P 13 1.662 20.723 17.246 1.00 1.00 H new ATOM 0 HG23 ILE P 13 2.954 19.524 17.490 1.00 1.00 H new ATOM 0 HD11 ILE P 13 5.684 20.062 14.510 1.00 1.00 H new ATOM 0 HD12 ILE P 13 4.367 21.233 14.262 1.00 1.00 H new ATOM 0 HD13 ILE P 13 4.861 20.786 15.912 1.00 1.00 H new ATOM 218 N ARG P 14 0.554 18.345 17.746 1.00 1.00 N ATOM 219 CA ARG P 14 0.491 17.649 19.037 1.00 1.00 C ATOM 220 C ARG P 14 -0.300 16.354 18.894 1.00 1.00 C ATOM 221 O ARG P 14 0.112 15.298 19.360 1.00 1.00 O ATOM 222 CB ARG P 14 -0.148 18.558 20.094 1.00 1.00 C ATOM 223 CG ARG P 14 -0.128 17.858 21.456 1.00 1.00 C ATOM 224 CD ARG P 14 -0.664 18.812 22.529 1.00 1.00 C ATOM 225 NE ARG P 14 -2.072 19.132 22.280 1.00 1.00 N ATOM 226 CZ ARG P 14 -3.056 18.373 22.757 1.00 1.00 C ATOM 227 NH1 ARG P 14 -2.781 17.299 23.448 1.00 1.00 N ATOM 228 NH2 ARG P 14 -4.296 18.704 22.529 1.00 1.00 N ATOM 0 H ARG P 14 0.017 19.211 17.697 1.00 1.00 H new ATOM 0 HA ARG P 14 1.503 17.403 19.359 1.00 1.00 H new ATOM 0 HB2 ARG P 14 0.394 19.502 20.151 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -1.174 18.796 19.811 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -0.736 16.954 21.421 1.00 1.00 H new ATOM 0 HG3 ARG P 14 0.888 17.549 21.703 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -0.558 18.357 23.514 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -0.073 19.728 22.536 1.00 1.00 H new ATOM 0 HE ARG P 14 -2.304 19.957 21.727 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -1.810 17.040 23.623 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -3.537 16.719 23.812 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -4.509 19.541 21.987 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -5.053 18.125 22.892 1.00 1.00 H new ATOM 242 N ARG P 15 -1.433 16.456 18.240 1.00 1.00 N ATOM 243 CA ARG P 15 -2.294 15.315 18.016 1.00 1.00 C ATOM 244 C ARG P 15 -1.471 14.202 17.380 1.00 1.00 C ATOM 245 O ARG P 15 -1.642 13.027 17.674 1.00 1.00 O ATOM 246 CB ARG P 15 -3.443 15.749 17.100 1.00 1.00 C ATOM 247 CG ARG P 15 -4.381 16.665 17.883 1.00 1.00 C ATOM 248 CD ARG P 15 -5.409 17.279 16.932 1.00 1.00 C ATOM 249 NE ARG P 15 -6.222 16.231 16.317 1.00 1.00 N ATOM 250 CZ ARG P 15 -7.096 16.502 15.348 1.00 1.00 C ATOM 251 NH1 ARG P 15 -7.241 17.724 14.911 1.00 1.00 N ATOM 252 NH2 ARG P 15 -7.812 15.540 14.831 1.00 1.00 N ATOM 0 H ARG P 15 -1.785 17.330 17.848 1.00 1.00 H new ATOM 0 HA ARG P 15 -2.713 14.944 18.951 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -3.052 16.269 16.225 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -3.985 14.876 16.736 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -4.887 16.101 18.666 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -3.810 17.452 18.375 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -6.049 17.973 17.477 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -4.901 17.855 16.159 1.00 1.00 H new ATOM 0 HE ARG P 15 -6.118 15.268 16.638 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -6.683 18.478 15.312 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -7.912 17.924 14.169 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -7.702 14.584 15.169 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -8.482 15.745 14.089 1.00 1.00 H new ATOM 266 N ALA P 16 -0.535 14.567 16.515 1.00 1.00 N ATOM 267 CA ALA P 16 0.301 13.543 15.887 1.00 1.00 C ATOM 268 C ALA P 16 0.893 12.709 16.996 1.00 1.00 C ATOM 269 O ALA P 16 1.220 11.537 16.831 1.00 1.00 O ATOM 270 CB ALA P 16 1.413 14.165 15.030 1.00 1.00 C ATOM 0 H ALA P 16 -0.336 15.528 16.236 1.00 1.00 H new ATOM 0 HA ALA P 16 -0.303 12.932 15.216 1.00 1.00 H new ATOM 0 HB1 ALA P 16 2.012 13.373 14.581 1.00 1.00 H new ATOM 0 HB2 ALA P 16 0.968 14.774 14.243 1.00 1.00 H new ATOM 0 HB3 ALA P 16 2.049 14.790 15.657 1.00 1.00 H new ATOM 276 N SER P 17 1.000 13.364 18.140 1.00 1.00 N ATOM 277 CA SER P 17 1.530 12.738 19.335 1.00 1.00 C ATOM 278 C SER P 17 0.390 12.040 20.088 1.00 1.00 C ATOM 279 O SER P 17 0.369 10.813 20.195 1.00 1.00 O ATOM 280 CB SER P 17 2.204 13.787 20.236 1.00 1.00 C ATOM 281 OG SER P 17 2.756 14.814 19.420 1.00 1.00 O ATOM 0 H SER P 17 0.723 14.338 18.264 1.00 1.00 H new ATOM 0 HA SER P 17 2.281 12.000 19.053 1.00 1.00 H new ATOM 0 HB2 SER P 17 1.478 14.208 20.931 1.00 1.00 H new ATOM 0 HB3 SER P 17 2.986 13.321 20.835 1.00 1.00 H new ATOM 0 HG SER P 17 2.041 15.412 19.119 1.00 1.00 H new ATOM 287 N THR P 18 -0.550 12.839 20.631 1.00 1.00 N ATOM 288 CA THR P 18 -1.695 12.308 21.405 1.00 1.00 C ATOM 289 C THR P 18 -3.062 12.555 20.752 1.00 1.00 C ATOM 290 O THR P 18 -4.043 12.833 21.439 1.00 1.00 O ATOM 291 CB THR P 18 -1.698 12.935 22.806 1.00 1.00 C ATOM 292 OG1 THR P 18 -2.908 12.600 23.474 1.00 1.00 O ATOM 293 CG2 THR P 18 -1.581 14.454 22.697 1.00 1.00 C ATOM 0 H THR P 18 -0.541 13.856 20.549 1.00 1.00 H new ATOM 0 HA THR P 18 -1.556 11.228 21.446 1.00 1.00 H new ATOM 0 HB THR P 18 -0.849 12.550 23.371 1.00 1.00 H new ATOM 0 HG1 THR P 18 -3.641 13.143 23.115 1.00 1.00 H new ATOM 0 HG21 THR P 18 -1.584 14.892 23.695 1.00 1.00 H new ATOM 0 HG22 THR P 18 -0.651 14.712 22.190 1.00 1.00 H new ATOM 0 HG23 THR P 18 -2.425 14.844 22.127 1.00 1.00 H new ATOM 301 N ILE P 19 -3.131 12.441 19.435 1.00 1.00 N ATOM 302 CA ILE P 19 -4.416 12.645 18.727 1.00 1.00 C ATOM 303 C ILE P 19 -5.497 11.882 19.480 1.00 1.00 C ATOM 304 O ILE P 19 -6.669 12.257 19.509 1.00 1.00 O ATOM 305 CB ILE P 19 -4.352 12.092 17.301 1.00 1.00 C ATOM 306 CG1 ILE P 19 -5.731 12.185 16.636 1.00 1.00 C ATOM 307 CG2 ILE P 19 -3.923 10.635 17.359 1.00 1.00 C ATOM 308 CD1 ILE P 19 -5.577 11.946 15.130 1.00 1.00 C ATOM 0 H ILE P 19 -2.340 12.214 18.833 1.00 1.00 H new ATOM 0 HA ILE P 19 -4.629 13.713 18.683 1.00 1.00 H new ATOM 0 HB ILE P 19 -3.637 12.674 16.719 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -6.407 11.447 17.067 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -6.171 13.165 16.818 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -3.874 10.230 16.348 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -2.941 10.563 17.827 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -4.646 10.066 17.943 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -6.553 12.010 14.650 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -4.914 12.701 14.708 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -5.154 10.956 14.960 1.00 1.00 H new ATOM 320 N GLU P 20 -5.045 10.793 20.086 1.00 1.00 N ATOM 321 CA GLU P 20 -5.881 9.902 20.867 1.00 1.00 C ATOM 322 C GLU P 20 -5.441 9.988 22.320 1.00 1.00 C ATOM 323 O GLU P 20 -4.319 9.632 22.660 1.00 1.00 O ATOM 324 CB GLU P 20 -5.687 8.477 20.336 1.00 1.00 C ATOM 325 CG GLU P 20 -6.501 7.451 21.130 1.00 1.00 C ATOM 326 CD GLU P 20 -7.983 7.630 20.822 1.00 1.00 C ATOM 327 OE1 GLU P 20 -8.292 8.448 19.967 1.00 1.00 O ATOM 328 OE2 GLU P 20 -8.789 6.951 21.440 1.00 1.00 O ATOM 0 H GLU P 20 -4.068 10.502 20.046 1.00 1.00 H new ATOM 0 HA GLU P 20 -6.933 10.176 20.792 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -5.980 8.438 19.287 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -4.630 8.214 20.381 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -6.184 6.441 20.871 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -6.323 7.577 22.198 1.00 1.00 H new ATOM 335 N MET P 21 -6.323 10.465 23.172 1.00 1.00 N ATOM 336 CA MET P 21 -5.982 10.582 24.592 1.00 1.00 C ATOM 337 C MET P 21 -5.587 9.204 25.146 1.00 1.00 C ATOM 338 O MET P 21 -4.423 8.997 25.491 1.00 1.00 O ATOM 339 CB MET P 21 -7.162 11.181 25.405 1.00 1.00 C ATOM 340 CG MET P 21 -6.975 12.689 25.620 1.00 1.00 C ATOM 341 SD MET P 21 -8.441 13.382 26.429 1.00 1.00 S ATOM 342 CE MET P 21 -9.397 13.713 24.928 1.00 1.00 C ATOM 0 H MET P 21 -7.263 10.774 22.924 1.00 1.00 H new ATOM 0 HA MET P 21 -5.136 11.262 24.690 1.00 1.00 H new ATOM 0 HB2 MET P 21 -8.099 10.999 24.879 1.00 1.00 H new ATOM 0 HB3 MET P 21 -7.235 10.679 26.370 1.00 1.00 H new ATOM 0 HG2 MET P 21 -6.091 12.871 26.231 1.00 1.00 H new ATOM 0 HG3 MET P 21 -6.809 13.184 24.663 1.00 1.00 H new ATOM 0 HE1 MET P 21 -10.358 14.152 25.198 1.00 1.00 H new ATOM 0 HE2 MET P 21 -8.847 14.407 24.292 1.00 1.00 H new ATOM 0 HE3 MET P 21 -9.563 12.780 24.389 1.00 1.00 H new ATOM 352 N PRO P 22 -6.524 8.271 25.235 1.00 1.00 N ATOM 353 CA PRO P 22 -6.267 6.895 25.754 1.00 1.00 C ATOM 354 C PRO P 22 -4.823 6.438 25.550 1.00 1.00 C ATOM 355 O PRO P 22 -4.269 6.557 24.475 1.00 1.00 O ATOM 356 CB PRO P 22 -7.230 6.065 24.921 1.00 1.00 C ATOM 357 CG PRO P 22 -8.443 6.937 24.753 1.00 1.00 C ATOM 358 CD PRO P 22 -7.948 8.401 24.855 1.00 1.00 C ATOM 0 HA PRO P 22 -6.413 6.815 26.831 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -6.794 5.803 23.957 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -7.481 5.130 25.422 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -8.921 6.755 23.791 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -9.184 6.723 25.523 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -8.062 8.928 23.908 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -8.511 8.962 25.601 1.00 1.00 H new ATOM 366 N GLN P 23 -4.241 5.921 26.600 1.00 1.00 N ATOM 367 CA GLN P 23 -2.852 5.440 26.555 1.00 1.00 C ATOM 368 C GLN P 23 -2.687 4.160 25.717 1.00 1.00 C ATOM 369 O GLN P 23 -1.597 3.880 25.216 1.00 1.00 O ATOM 370 CB GLN P 23 -2.353 5.186 27.980 1.00 1.00 C ATOM 371 CG GLN P 23 -2.221 6.520 28.716 1.00 1.00 C ATOM 372 CD GLN P 23 -1.772 6.288 30.152 1.00 1.00 C ATOM 373 OE1 GLN P 23 -1.512 5.151 30.547 1.00 1.00 O ATOM 374 NE2 GLN P 23 -1.663 7.309 30.960 1.00 1.00 N ATOM 0 H GLN P 23 -4.694 5.815 27.507 1.00 1.00 H new ATOM 0 HA GLN P 23 -2.259 6.217 26.072 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -3.047 4.533 28.509 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -1.391 4.675 27.955 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -1.502 7.158 28.201 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -3.176 7.045 28.707 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -1.880 8.248 30.627 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -1.361 7.167 31.924 1.00 1.00 H new ATOM 383 N GLN P 24 -3.758 3.380 25.567 1.00 1.00 N ATOM 384 CA GLN P 24 -3.710 2.134 24.793 1.00 1.00 C ATOM 385 C GLN P 24 -4.337 2.318 23.420 1.00 1.00 C ATOM 386 O GLN P 24 -3.781 1.892 22.409 1.00 1.00 O ATOM 387 CB GLN P 24 -4.463 1.042 25.554 1.00 1.00 C ATOM 388 CG GLN P 24 -3.702 0.679 26.834 1.00 1.00 C ATOM 389 CD GLN P 24 -4.483 -0.354 27.645 1.00 1.00 C ATOM 390 OE1 GLN P 24 -5.522 -0.841 27.197 1.00 1.00 O ATOM 391 NE2 GLN P 24 -4.040 -0.722 28.820 1.00 1.00 N ATOM 0 H GLN P 24 -4.671 3.587 25.971 1.00 1.00 H new ATOM 0 HA GLN P 24 -2.667 1.849 24.657 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -5.467 1.386 25.803 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -4.575 0.159 24.925 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -2.719 0.283 26.580 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -3.540 1.574 27.434 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -3.180 -0.318 29.190 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -4.555 -1.413 29.366 1.00 1.00 H new ATOM 400 N ALA P 25 -5.503 2.950 23.398 1.00 1.00 N ATOM 401 CA ALA P 25 -6.192 3.170 22.128 1.00 1.00 C ATOM 402 C ALA P 25 -5.267 3.936 21.187 1.00 1.00 C ATOM 403 O ALA P 25 -5.476 3.973 19.976 1.00 1.00 O ATOM 404 CB ALA P 25 -7.555 3.893 22.322 1.00 1.00 C ATOM 0 H ALA P 25 -5.984 3.312 24.221 1.00 1.00 H new ATOM 0 HA ALA P 25 -6.430 2.204 21.682 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -8.032 4.036 21.353 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -8.200 3.288 22.959 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -7.389 4.863 22.791 1.00 1.00 H new ATOM 410 N ARG P 26 -4.231 4.543 21.750 1.00 1.00 N ATOM 411 CA ARG P 26 -3.287 5.287 20.931 1.00 1.00 C ATOM 412 C ARG P 26 -2.619 4.318 19.972 1.00 1.00 C ATOM 413 O ARG P 26 -2.908 4.300 18.784 1.00 1.00 O ATOM 414 CB ARG P 26 -2.199 5.966 21.809 1.00 1.00 C ATOM 415 CG ARG P 26 -2.587 7.406 22.151 1.00 1.00 C ATOM 416 CD ARG P 26 -1.658 7.926 23.251 1.00 1.00 C ATOM 417 NE ARG P 26 -2.035 9.271 23.677 1.00 1.00 N ATOM 418 CZ ARG P 26 -1.406 9.861 24.693 1.00 1.00 C ATOM 419 NH1 ARG P 26 -0.430 9.244 25.301 1.00 1.00 N ATOM 420 NH2 ARG P 26 -1.756 11.055 25.086 1.00 1.00 N ATOM 0 H ARG P 26 -4.026 4.536 22.749 1.00 1.00 H new ATOM 0 HA ARG P 26 -3.823 6.066 20.389 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -2.060 5.396 22.727 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -1.245 5.959 21.282 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -2.511 8.037 21.265 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -3.624 7.447 22.484 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -1.690 7.250 24.106 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -0.630 7.933 22.888 1.00 1.00 H new ATOM 0 HE ARG P 26 -2.786 9.763 23.193 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -0.149 8.311 24.998 1.00 1.00 H new ATOM 0 HH12 ARG P 26 0.052 9.695 26.079 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -2.517 11.544 24.615 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -1.269 11.499 25.865 1.00 1.00 H new ATOM 434 N GLN P 27 -1.714 3.530 20.527 1.00 1.00 N ATOM 435 CA GLN P 27 -0.968 2.556 19.749 1.00 1.00 C ATOM 436 C GLN P 27 -1.817 1.384 19.279 1.00 1.00 C ATOM 437 O GLN P 27 -1.572 0.855 18.206 1.00 1.00 O ATOM 438 CB GLN P 27 0.222 2.044 20.566 1.00 1.00 C ATOM 439 CG GLN P 27 -0.283 1.354 21.836 1.00 1.00 C ATOM 440 CD GLN P 27 0.899 0.857 22.661 1.00 1.00 C ATOM 441 OE1 GLN P 27 1.980 1.439 22.612 1.00 1.00 O ATOM 442 NE2 GLN P 27 0.758 -0.192 23.424 1.00 1.00 N ATOM 0 H GLN P 27 -1.477 3.546 21.519 1.00 1.00 H new ATOM 0 HA GLN P 27 -0.620 3.068 18.852 1.00 1.00 H new ATOM 0 HB2 GLN P 27 0.811 1.346 19.971 1.00 1.00 H new ATOM 0 HB3 GLN P 27 0.879 2.873 20.828 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -0.882 2.049 22.424 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -0.931 0.518 21.573 1.00 1.00 H new ATOM 0 HE21 GLN P 27 -0.139 -0.676 23.465 1.00 1.00 H new ATOM 0 HE22 GLN P 27 1.545 -0.528 23.979 1.00 1.00 H new ATOM 451 N ASN P 28 -2.807 0.967 20.054 1.00 1.00 N ATOM 452 CA ASN P 28 -3.619 -0.164 19.604 1.00 2.16 C ATOM 453 C ASN P 28 -4.350 0.148 18.301 1.00 1.00 C ATOM 454 O ASN P 28 -4.232 -0.589 17.317 1.00 1.00 O ATOM 455 CB ASN P 28 -4.630 -0.560 20.676 1.00 1.00 C ATOM 456 CG ASN P 28 -3.921 -1.155 21.885 1.00 1.00 C ATOM 457 OD1 ASN P 28 -2.739 -1.695 21.752 1.00 1.00 O flip ATOM 458 ND2 ASN P 28 -4.462 -1.129 22.986 1.00 1.00 N flip ATOM 0 H ASN P 28 -3.064 1.368 20.956 1.00 1.00 H new ATOM 0 HA ASN P 28 -2.939 -0.996 19.423 1.00 2.16 H new ATOM 0 HB2 ASN P 28 -5.208 0.313 20.979 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.336 -1.284 20.269 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -5.385 -0.708 23.091 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -3.989 -1.529 23.796 1.00 1.00 H new ATOM 465 N LEU P 29 -5.101 1.233 18.289 1.00 1.00 N ATOM 466 CA LEU P 29 -5.836 1.609 17.089 1.00 2.85 C ATOM 467 C LEU P 29 -4.874 2.010 16.009 1.00 1.00 C ATOM 468 O LEU P 29 -5.060 1.687 14.839 1.00 1.00 O ATOM 469 CB LEU P 29 -6.766 2.780 17.367 1.00 1.00 C ATOM 470 CG LEU P 29 -7.604 2.468 18.597 1.00 1.00 C ATOM 471 CD1 LEU P 29 -8.498 3.670 18.936 1.00 1.00 C ATOM 472 CD2 LEU P 29 -8.468 1.215 18.347 1.00 1.00 C ATOM 0 H LEU P 29 -5.220 1.863 19.082 1.00 1.00 H new ATOM 0 HA LEU P 29 -6.426 0.749 16.772 1.00 2.85 H new ATOM 0 HB2 LEU P 29 -6.188 3.690 17.527 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -7.412 2.960 16.508 1.00 1.00 H new ATOM 0 HG LEU P 29 -6.940 2.271 19.439 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -9.096 3.441 19.818 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -7.875 4.542 19.136 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -9.158 3.881 18.095 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -9.064 1.001 19.234 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -9.130 1.393 17.500 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -7.822 0.365 18.130 1.00 1.00 H new ATOM 484 N GLN P 30 -3.840 2.726 16.407 1.00 1.00 N ATOM 485 CA GLN P 30 -2.843 3.174 15.437 1.00 3.54 C ATOM 486 C GLN P 30 -1.980 2.018 14.953 1.00 1.00 C ATOM 487 O GLN P 30 -1.479 2.047 13.834 1.00 1.00 O ATOM 488 CB GLN P 30 -1.963 4.280 16.020 1.00 1.00 C ATOM 489 CG GLN P 30 -2.803 5.545 16.255 1.00 1.00 C ATOM 490 CD GLN P 30 -3.217 6.160 14.921 1.00 1.00 C ATOM 491 OE1 GLN P 30 -2.362 6.485 14.100 1.00 1.00 O ATOM 492 NE2 GLN P 30 -4.484 6.338 14.651 1.00 1.00 N ATOM 0 H GLN P 30 -3.664 3.008 17.371 1.00 1.00 H new ATOM 0 HA GLN P 30 -3.385 3.577 14.582 1.00 3.54 H new ATOM 0 HB2 GLN P 30 -1.519 3.948 16.959 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -1.141 4.500 15.339 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -3.689 5.298 16.840 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -2.229 6.268 16.835 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -5.193 6.068 15.332 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -4.763 6.747 13.759 1.00 1.00 H new ATOM 501 N ASN P 31 -1.807 0.994 15.783 1.00 1.00 N ATOM 502 CA ASN P 31 -0.995 -0.145 15.368 1.00 2.61 C ATOM 503 C ASN P 31 -1.650 -0.828 14.181 1.00 1.00 C ATOM 504 O ASN P 31 -0.983 -1.209 13.224 1.00 1.00 O ATOM 505 CB ASN P 31 -0.809 -1.159 16.511 1.00 1.00 C ATOM 506 CG ASN P 31 -0.125 -2.425 15.999 1.00 1.00 C ATOM 507 OD1 ASN P 31 0.664 -2.367 15.057 1.00 1.00 O ATOM 508 ND2 ASN P 31 -0.384 -3.571 16.569 1.00 1.00 N ATOM 0 H ASN P 31 -2.205 0.928 16.720 1.00 1.00 H new ATOM 0 HA ASN P 31 -0.009 0.228 15.089 1.00 2.61 H new ATOM 0 HB2 ASN P 31 -0.212 -0.713 17.307 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -1.778 -1.411 16.942 1.00 1.00 H new ATOM 0 HD21 ASN P 31 0.068 -4.421 16.233 1.00 1.00 H new ATOM 0 HD22 ASN P 31 -1.039 -3.616 17.350 1.00 1.00 H new ATOM 515 N LEU P 32 -2.963 -0.980 14.248 1.00 1.00 N ATOM 516 CA LEU P 32 -3.688 -1.619 13.166 1.00 2.23 C ATOM 517 C LEU P 32 -3.609 -0.759 11.917 1.00 1.00 C ATOM 518 O LEU P 32 -3.320 -1.251 10.838 1.00 1.00 O ATOM 519 CB LEU P 32 -5.155 -1.824 13.556 1.00 1.00 C ATOM 520 CG LEU P 32 -5.285 -2.862 14.685 1.00 1.00 C ATOM 521 CD1 LEU P 32 -6.724 -2.836 15.216 1.00 1.00 C ATOM 522 CD2 LEU P 32 -4.959 -4.282 14.166 1.00 1.00 C ATOM 0 H LEU P 32 -3.541 -0.673 15.031 1.00 1.00 H new ATOM 0 HA LEU P 32 -3.236 -2.591 12.968 1.00 2.23 H new ATOM 0 HB2 LEU P 32 -5.586 -0.876 13.878 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.724 -2.154 12.687 1.00 1.00 H new ATOM 0 HG LEU P 32 -4.580 -2.613 15.478 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -6.829 -3.568 16.017 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.952 -1.842 15.600 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -7.414 -3.080 14.409 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -5.057 -4.999 14.981 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -5.651 -4.545 13.366 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -3.938 -4.304 13.784 1.00 1.00 H new ATOM 534 N PHE P 33 -3.865 0.532 12.075 1.00 1.00 N ATOM 535 CA PHE P 33 -3.815 1.449 10.938 1.00 2.63 C ATOM 536 C PHE P 33 -2.397 1.529 10.384 1.00 1.00 C ATOM 537 O PHE P 33 -2.174 1.387 9.184 1.00 1.00 O ATOM 538 CB PHE P 33 -4.279 2.847 11.363 1.00 1.00 C ATOM 539 CG PHE P 33 -4.191 3.789 10.185 1.00 1.00 C ATOM 540 CD1 PHE P 33 -5.184 3.769 9.200 1.00 1.00 C ATOM 541 CD2 PHE P 33 -3.116 4.682 10.077 1.00 1.00 C ATOM 542 CE1 PHE P 33 -5.105 4.639 8.108 1.00 1.00 C ATOM 543 CE2 PHE P 33 -3.038 5.553 8.983 1.00 1.00 C ATOM 544 CZ PHE P 33 -4.032 5.532 7.999 1.00 1.00 C ATOM 0 H PHE P 33 -4.107 0.967 12.966 1.00 1.00 H new ATOM 0 HA PHE P 33 -4.481 1.071 10.162 1.00 2.63 H new ATOM 0 HB2 PHE P 33 -5.304 2.805 11.732 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -3.660 3.214 12.182 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -6.012 3.081 9.283 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -2.349 4.698 10.837 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -5.872 4.622 7.348 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -2.210 6.241 8.899 1.00 1.00 H new ATOM 0 HZ PHE P 33 -3.972 6.204 7.156 1.00 1.00 H new ATOM 554 N ILE P 34 -1.449 1.759 11.280 1.00 1.00 N ATOM 555 CA ILE P 34 -0.050 1.860 10.883 1.00 2.64 C ATOM 556 C ILE P 34 0.438 0.525 10.315 1.00 1.00 C ATOM 557 O ILE P 34 1.084 0.485 9.271 1.00 1.00 O ATOM 558 CB ILE P 34 0.818 2.267 12.085 1.00 1.00 C ATOM 559 CG1 ILE P 34 0.474 3.699 12.497 1.00 1.00 C ATOM 560 CG2 ILE P 34 2.302 2.205 11.707 1.00 1.00 C ATOM 561 CD1 ILE P 34 1.093 4.002 13.866 1.00 1.00 C ATOM 0 H ILE P 34 -1.619 1.879 12.279 1.00 1.00 H new ATOM 0 HA ILE P 34 0.036 2.625 10.111 1.00 2.64 H new ATOM 0 HB ILE P 34 0.624 1.581 12.910 1.00 1.00 H new ATOM 0 HG12 ILE P 34 0.849 4.402 11.753 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -0.608 3.826 12.539 1.00 1.00 H new ATOM 0 HG21 ILE P 34 2.908 2.495 12.565 1.00 1.00 H new ATOM 0 HG22 ILE P 34 2.559 1.189 11.408 1.00 1.00 H new ATOM 0 HG23 ILE P 34 2.495 2.887 10.879 1.00 1.00 H new ATOM 0 HD11 ILE P 34 0.847 5.023 14.159 1.00 1.00 H new ATOM 0 HD12 ILE P 34 0.697 3.307 14.606 1.00 1.00 H new ATOM 0 HD13 ILE P 34 2.176 3.892 13.808 1.00 1.00 H new ATOM 573 N ASN P 35 0.128 -0.575 11.003 1.00 1.00 N ATOM 574 CA ASN P 35 0.553 -1.881 10.534 1.00 2.87 C ATOM 575 C ASN P 35 -0.200 -2.263 9.278 1.00 1.00 C ATOM 576 O ASN P 35 0.390 -2.733 8.302 1.00 1.00 O ATOM 577 CB ASN P 35 0.338 -2.946 11.616 1.00 1.00 C ATOM 578 CG ASN P 35 1.012 -4.247 11.188 1.00 1.00 C ATOM 579 OD1 ASN P 35 1.973 -4.219 10.421 1.00 1.00 O ATOM 580 ND2 ASN P 35 0.565 -5.389 11.636 1.00 1.00 N ATOM 0 H ASN P 35 -0.407 -0.583 11.871 1.00 1.00 H new ATOM 0 HA ASN P 35 1.618 -1.827 10.306 1.00 2.87 H new ATOM 0 HB2 ASN P 35 0.751 -2.605 12.565 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.728 -3.110 11.773 1.00 1.00 H new ATOM 0 HD21 ASN P 35 1.013 -6.260 11.350 1.00 1.00 H new ATOM 0 HD22 ASN P 35 -0.232 -5.411 12.272 1.00 1.00 H new ATOM 587 N PHE P 36 -1.507 -2.068 9.301 1.00 1.00 N ATOM 588 CA PHE P 36 -2.332 -2.410 8.147 1.00 2.89 C ATOM 589 C PHE P 36 -2.110 -1.480 6.954 1.00 1.00 C ATOM 590 O PHE P 36 -2.148 -1.919 5.798 1.00 1.00 O ATOM 591 CB PHE P 36 -3.820 -2.424 8.520 1.00 1.00 C ATOM 592 CG PHE P 36 -4.607 -3.045 7.389 1.00 1.00 C ATOM 593 CD1 PHE P 36 -4.472 -4.414 7.114 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.470 -2.259 6.613 1.00 1.00 C ATOM 595 CE1 PHE P 36 -5.199 -4.991 6.063 1.00 1.00 C ATOM 596 CE2 PHE P 36 -6.193 -2.836 5.567 1.00 1.00 C ATOM 597 CZ PHE P 36 -6.058 -4.201 5.291 1.00 1.00 C ATOM 0 H PHE P 36 -2.018 -1.680 10.094 1.00 1.00 H new ATOM 0 HA PHE P 36 -2.021 -3.409 7.843 1.00 2.89 H new ATOM 0 HB2 PHE P 36 -3.972 -2.990 9.439 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -4.170 -1.409 8.709 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -3.809 -5.023 7.711 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.576 -1.205 6.825 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -5.096 -6.045 5.849 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.857 -2.228 4.970 1.00 1.00 H new ATOM 0 HZ PHE P 36 -6.617 -4.645 4.481 1.00 1.00 H new ATOM 607 N ALA P 37 -1.869 -0.202 7.216 1.00 1.00 N ATOM 608 CA ALA P 37 -1.640 0.746 6.137 1.00 1.81 C ATOM 609 C ALA P 37 -0.250 0.560 5.548 1.00 1.00 C ATOM 610 O ALA P 37 -0.047 0.734 4.359 1.00 1.00 O ATOM 611 CB ALA P 37 -1.789 2.178 6.642 1.00 1.00 C ATOM 0 H ALA P 37 -1.828 0.197 8.154 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.384 0.560 5.362 1.00 1.81 H new ATOM 0 HB1 ALA P 37 -1.614 2.873 5.821 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -2.796 2.323 7.032 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.063 2.362 7.434 1.00 1.00 H new ATOM 617 N LEU P 38 0.705 0.203 6.392 1.00 1.00 N ATOM 618 CA LEU P 38 2.069 -0.001 5.920 1.00 1.91 C ATOM 619 C LEU P 38 2.132 -1.179 4.951 1.00 1.00 C ATOM 620 O LEU P 38 2.887 -1.139 3.983 1.00 1.00 O ATOM 621 CB LEU P 38 3.036 -0.220 7.097 1.00 1.00 C ATOM 622 CG LEU P 38 3.427 1.125 7.744 1.00 1.00 C ATOM 623 CD1 LEU P 38 4.098 0.844 9.093 1.00 1.00 C ATOM 624 CD2 LEU P 38 4.417 1.907 6.836 1.00 1.00 C ATOM 0 H LEU P 38 0.567 0.050 7.391 1.00 1.00 H new ATOM 0 HA LEU P 38 2.379 0.900 5.391 1.00 1.91 H new ATOM 0 HB2 LEU P 38 2.569 -0.865 7.842 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.931 -0.734 6.747 1.00 1.00 H new ATOM 0 HG LEU P 38 2.529 1.728 7.879 1.00 1.00 H new ATOM 0 HD11 LEU P 38 4.380 1.786 9.562 1.00 1.00 H new ATOM 0 HD12 LEU P 38 3.403 0.310 9.741 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.989 0.236 8.937 1.00 1.00 H new ATOM 0 HD21 LEU P 38 4.679 2.852 7.312 1.00 1.00 H new ATOM 0 HD22 LEU P 38 5.319 1.314 6.686 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.948 2.104 5.872 1.00 1.00 H new ATOM 636 N ILE P 39 1.338 -2.218 5.196 1.00 1.00 N ATOM 637 CA ILE P 39 1.345 -3.366 4.296 1.00 3.39 C ATOM 638 C ILE P 39 0.776 -2.940 2.938 1.00 1.00 C ATOM 639 O ILE P 39 1.324 -3.276 1.892 1.00 1.00 O ATOM 640 CB ILE P 39 0.512 -4.521 4.884 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.213 -5.115 6.131 1.00 1.00 C ATOM 642 CG2 ILE P 39 0.301 -5.617 3.832 1.00 1.00 C ATOM 643 CD1 ILE P 39 2.611 -5.677 5.798 1.00 1.00 C ATOM 0 H ILE P 39 0.698 -2.289 5.987 1.00 1.00 H new ATOM 0 HA ILE P 39 2.369 -3.718 4.170 1.00 3.39 H new ATOM 0 HB ILE P 39 -0.459 -4.126 5.182 1.00 1.00 H new ATOM 0 HG12 ILE P 39 1.305 -4.344 6.896 1.00 1.00 H new ATOM 0 HG13 ILE P 39 0.594 -5.908 6.551 1.00 1.00 H new ATOM 0 HG21 ILE P 39 -0.289 -6.426 4.263 1.00 1.00 H new ATOM 0 HG22 ILE P 39 -0.226 -5.201 2.973 1.00 1.00 H new ATOM 0 HG23 ILE P 39 1.268 -6.004 3.511 1.00 1.00 H new ATOM 0 HD11 ILE P 39 3.065 -6.083 6.702 1.00 1.00 H new ATOM 0 HD12 ILE P 39 2.518 -6.467 5.053 1.00 1.00 H new ATOM 0 HD13 ILE P 39 3.240 -4.879 5.404 1.00 1.00 H new ATOM 655 N LEU P 40 -0.331 -2.197 2.974 1.00 1.00 N ATOM 656 CA LEU P 40 -0.976 -1.723 1.747 1.00 2.96 C ATOM 657 C LEU P 40 -0.174 -0.599 1.081 1.00 1.00 C ATOM 658 O LEU P 40 0.091 -0.649 -0.117 1.00 1.00 O ATOM 659 CB LEU P 40 -2.384 -1.214 2.066 1.00 1.00 C ATOM 660 CG LEU P 40 -3.293 -2.378 2.487 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.595 -1.809 3.064 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.611 -3.292 1.277 1.00 1.00 C ATOM 0 H LEU P 40 -0.798 -1.911 3.834 1.00 1.00 H new ATOM 0 HA LEU P 40 -1.025 -2.563 1.055 1.00 2.96 H new ATOM 0 HB2 LEU P 40 -2.337 -0.474 2.865 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.803 -0.715 1.193 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.780 -2.976 3.240 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -5.248 -2.628 3.366 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -4.368 -1.187 3.930 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -5.096 -1.206 2.306 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -4.256 -4.110 1.598 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -4.118 -2.712 0.506 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.683 -3.699 0.874 1.00 1.00 H new ATOM 674 N ILE P 41 0.203 0.411 1.858 1.00 1.00 N ATOM 675 CA ILE P 41 0.958 1.531 1.318 1.00 1.75 C ATOM 676 C ILE P 41 2.311 1.064 0.781 1.00 1.00 C ATOM 677 O ILE P 41 2.695 1.428 -0.327 1.00 1.00 O ATOM 678 CB ILE P 41 1.128 2.603 2.404 1.00 1.00 C ATOM 679 CG1 ILE P 41 -0.236 3.260 2.737 1.00 1.00 C ATOM 680 CG2 ILE P 41 2.124 3.665 1.953 1.00 1.00 C ATOM 681 CD1 ILE P 41 -0.864 3.956 1.509 1.00 1.00 C ATOM 0 H ILE P 41 -0.001 0.475 2.855 1.00 1.00 H new ATOM 0 HA ILE P 41 0.410 1.965 0.482 1.00 1.75 H new ATOM 0 HB ILE P 41 1.512 2.121 3.303 1.00 1.00 H new ATOM 0 HG12 ILE P 41 -0.922 2.500 3.112 1.00 1.00 H new ATOM 0 HG13 ILE P 41 -0.101 3.989 3.536 1.00 1.00 H new ATOM 0 HG21 ILE P 41 2.233 4.417 2.734 1.00 1.00 H new ATOM 0 HG22 ILE P 41 3.091 3.199 1.761 1.00 1.00 H new ATOM 0 HG23 ILE P 41 1.762 4.139 1.041 1.00 1.00 H new ATOM 0 HD11 ILE P 41 -1.818 4.401 1.791 1.00 1.00 H new ATOM 0 HD12 ILE P 41 -0.192 4.735 1.149 1.00 1.00 H new ATOM 0 HD13 ILE P 41 -1.026 3.223 0.719 1.00 1.00 H new ATOM 693 N PHE P 42 3.032 0.272 1.557 1.00 1.00 N ATOM 694 CA PHE P 42 4.333 -0.208 1.107 1.00 2.33 C ATOM 695 C PHE P 42 4.192 -0.972 -0.208 1.00 1.00 C ATOM 696 O PHE P 42 4.948 -0.746 -1.152 1.00 1.00 O ATOM 697 CB PHE P 42 4.953 -1.119 2.168 1.00 1.00 C ATOM 698 CG PHE P 42 6.317 -1.569 1.698 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.397 -0.680 1.744 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.505 -2.873 1.217 1.00 1.00 C ATOM 701 CE1 PHE P 42 8.661 -1.091 1.309 1.00 1.00 C ATOM 702 CE2 PHE P 42 7.772 -3.284 0.782 1.00 1.00 C ATOM 703 CZ PHE P 42 8.850 -2.392 0.828 1.00 1.00 C ATOM 0 H PHE P 42 2.749 -0.048 2.483 1.00 1.00 H new ATOM 0 HA PHE P 42 4.983 0.652 0.948 1.00 2.33 H new ATOM 0 HB2 PHE P 42 5.038 -0.588 3.116 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.312 -1.983 2.343 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.254 0.324 2.116 1.00 1.00 H new ATOM 0 HD2 PHE P 42 5.673 -3.561 1.182 1.00 1.00 H new ATOM 0 HE1 PHE P 42 9.493 -0.403 1.344 1.00 1.00 H new ATOM 0 HE2 PHE P 42 7.917 -4.288 0.412 1.00 1.00 H new ATOM 0 HZ PHE P 42 9.827 -2.707 0.493 1.00 1.00 H new ATOM 713 N LEU P 43 3.220 -1.877 -0.260 1.00 1.00 N ATOM 714 CA LEU P 43 2.982 -2.676 -1.463 1.00 2.65 C ATOM 715 C LEU P 43 2.506 -1.803 -2.624 1.00 1.00 C ATOM 716 O LEU P 43 2.950 -1.965 -3.760 1.00 1.00 O ATOM 717 CB LEU P 43 1.938 -3.763 -1.180 1.00 1.00 C ATOM 718 CG LEU P 43 2.510 -4.838 -0.237 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.363 -5.737 0.250 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.564 -5.706 -0.972 1.00 1.00 C ATOM 0 H LEU P 43 2.585 -2.077 0.513 1.00 1.00 H new ATOM 0 HA LEU P 43 3.927 -3.141 -1.744 1.00 2.65 H new ATOM 0 HB2 LEU P 43 1.051 -3.314 -0.732 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.623 -4.224 -2.116 1.00 1.00 H new ATOM 0 HG LEU P 43 2.992 -4.347 0.609 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.759 -6.502 0.919 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.629 -5.133 0.783 1.00 1.00 H new ATOM 0 HD13 LEU P 43 0.887 -6.215 -0.606 1.00 1.00 H new ATOM 0 HD21 LEU P 43 3.956 -6.459 -0.288 1.00 1.00 H new ATOM 0 HD22 LEU P 43 3.099 -6.198 -1.826 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.380 -5.072 -1.319 1.00 1.00 H new ATOM 732 N LEU P 44 1.604 -0.873 -2.345 1.00 1.00 N ATOM 733 CA LEU P 44 1.096 0.004 -3.389 1.00 2.30 C ATOM 734 C LEU P 44 2.192 0.938 -3.897 1.00 1.00 C ATOM 735 O LEU P 44 2.269 1.219 -5.091 1.00 1.00 O ATOM 736 CB LEU P 44 -0.082 0.833 -2.861 1.00 1.00 C ATOM 737 CG LEU P 44 -1.331 -0.049 -2.666 1.00 1.00 C ATOM 738 CD1 LEU P 44 -2.353 0.713 -1.816 1.00 1.00 C ATOM 739 CD2 LEU P 44 -1.968 -0.420 -4.029 1.00 1.00 C ATOM 0 H LEU P 44 1.213 -0.707 -1.417 1.00 1.00 H new ATOM 0 HA LEU P 44 0.757 -0.619 -4.216 1.00 2.30 H new ATOM 0 HB2 LEU P 44 0.191 1.298 -1.914 1.00 1.00 H new ATOM 0 HB3 LEU P 44 -0.307 1.639 -3.559 1.00 1.00 H new ATOM 0 HG LEU P 44 -1.034 -0.970 -2.165 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -3.240 0.096 -1.673 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -1.916 0.949 -0.846 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -2.632 1.637 -2.323 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -2.847 -1.042 -3.862 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -2.261 0.490 -4.553 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -1.244 -0.968 -4.632 1.00 1.00 H new ATOM 751 N LEU P 45 3.034 1.424 -2.987 1.00 1.00 N ATOM 752 CA LEU P 45 4.113 2.337 -3.371 1.00 2.49 C ATOM 753 C LEU P 45 5.117 1.698 -4.332 1.00 1.00 C ATOM 754 O LEU P 45 5.539 2.335 -5.291 1.00 1.00 O ATOM 755 CB LEU P 45 4.854 2.845 -2.118 1.00 1.00 C ATOM 756 CG LEU P 45 4.036 3.938 -1.398 1.00 1.00 C ATOM 757 CD1 LEU P 45 4.698 4.251 -0.047 1.00 1.00 C ATOM 758 CD2 LEU P 45 3.965 5.231 -2.259 1.00 1.00 C ATOM 0 H LEU P 45 2.993 1.206 -1.991 1.00 1.00 H new ATOM 0 HA LEU P 45 3.644 3.170 -3.894 1.00 2.49 H new ATOM 0 HB2 LEU P 45 5.036 2.014 -1.437 1.00 1.00 H new ATOM 0 HB3 LEU P 45 5.828 3.243 -2.403 1.00 1.00 H new ATOM 0 HG LEU P 45 3.020 3.575 -1.241 1.00 1.00 H new ATOM 0 HD11 LEU P 45 4.126 5.023 0.468 1.00 1.00 H new ATOM 0 HD12 LEU P 45 4.723 3.349 0.564 1.00 1.00 H new ATOM 0 HD13 LEU P 45 5.716 4.604 -0.214 1.00 1.00 H new ATOM 0 HD21 LEU P 45 3.384 5.988 -1.732 1.00 1.00 H new ATOM 0 HD22 LEU P 45 4.973 5.606 -2.436 1.00 1.00 H new ATOM 0 HD23 LEU P 45 3.488 5.007 -3.213 1.00 1.00 H new ATOM 770 N ILE P 46 5.503 0.456 -4.092 1.00 1.00 N ATOM 771 CA ILE P 46 6.462 -0.180 -4.993 1.00 2.30 C ATOM 772 C ILE P 46 5.828 -0.338 -6.369 1.00 1.00 C ATOM 773 O ILE P 46 6.481 -0.161 -7.393 1.00 1.00 O ATOM 774 CB ILE P 46 6.962 -1.544 -4.425 1.00 1.00 C ATOM 775 CG1 ILE P 46 8.375 -1.855 -4.954 1.00 1.00 C ATOM 776 CG2 ILE P 46 6.029 -2.703 -4.823 1.00 1.00 C ATOM 777 CD1 ILE P 46 8.910 -3.113 -4.271 1.00 1.00 C ATOM 0 H ILE P 46 5.184 -0.119 -3.312 1.00 1.00 H new ATOM 0 HA ILE P 46 7.343 0.456 -5.084 1.00 2.30 H new ATOM 0 HB ILE P 46 6.972 -1.454 -3.339 1.00 1.00 H new ATOM 0 HG12 ILE P 46 8.347 -1.999 -6.034 1.00 1.00 H new ATOM 0 HG13 ILE P 46 9.040 -1.013 -4.762 1.00 1.00 H new ATOM 0 HG21 ILE P 46 6.411 -3.636 -4.409 1.00 1.00 H new ATOM 0 HG22 ILE P 46 5.029 -2.515 -4.433 1.00 1.00 H new ATOM 0 HG23 ILE P 46 5.986 -2.779 -5.910 1.00 1.00 H new ATOM 0 HD11 ILE P 46 9.910 -3.333 -4.645 1.00 1.00 H new ATOM 0 HD12 ILE P 46 8.953 -2.952 -3.194 1.00 1.00 H new ATOM 0 HD13 ILE P 46 8.249 -3.953 -4.486 1.00 1.00 H new ATOM 789 N ALA P 47 4.545 -0.672 -6.374 1.00 1.00 N ATOM 790 CA ALA P 47 3.823 -0.851 -7.625 1.00 1.64 C ATOM 791 C ALA P 47 3.744 0.462 -8.415 1.00 1.00 C ATOM 792 O ALA P 47 4.043 0.492 -9.604 1.00 1.00 O ATOM 793 CB ALA P 47 2.411 -1.367 -7.341 1.00 1.00 C ATOM 0 H ALA P 47 3.987 -0.823 -5.534 1.00 1.00 H new ATOM 0 HA ALA P 47 4.366 -1.579 -8.227 1.00 1.64 H new ATOM 0 HB1 ALA P 47 1.876 -1.499 -8.281 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.471 -2.323 -6.820 1.00 1.00 H new ATOM 0 HB3 ALA P 47 1.879 -0.647 -6.719 1.00 1.00 H new ATOM 799 N ILE P 48 3.333 1.543 -7.750 1.00 1.00 N ATOM 800 CA ILE P 48 3.215 2.847 -8.412 1.00 3.63 C ATOM 801 C ILE P 48 4.572 3.362 -8.912 1.00 1.00 C ATOM 802 O ILE P 48 4.667 3.860 -10.030 1.00 1.00 O ATOM 803 CB ILE P 48 2.590 3.865 -7.440 1.00 1.00 C ATOM 804 CG1 ILE P 48 1.122 3.483 -7.128 1.00 1.00 C ATOM 805 CG2 ILE P 48 2.643 5.280 -8.033 1.00 1.00 C ATOM 806 CD1 ILE P 48 0.251 3.444 -8.399 1.00 1.00 C ATOM 0 H ILE P 48 3.078 1.544 -6.762 1.00 1.00 H new ATOM 0 HA ILE P 48 2.572 2.723 -9.283 1.00 3.63 H new ATOM 0 HB ILE P 48 3.166 3.849 -6.515 1.00 1.00 H new ATOM 0 HG12 ILE P 48 1.097 2.508 -6.642 1.00 1.00 H new ATOM 0 HG13 ILE P 48 0.703 4.201 -6.423 1.00 1.00 H new ATOM 0 HG21 ILE P 48 2.197 5.985 -7.332 1.00 1.00 H new ATOM 0 HG22 ILE P 48 3.681 5.559 -8.217 1.00 1.00 H new ATOM 0 HG23 ILE P 48 2.089 5.302 -8.972 1.00 1.00 H new ATOM 0 HD11 ILE P 48 -0.770 3.172 -8.132 1.00 1.00 H new ATOM 0 HD12 ILE P 48 0.253 4.426 -8.872 1.00 1.00 H new ATOM 0 HD13 ILE P 48 0.653 2.706 -9.093 1.00 1.00 H new ATOM 818 N ILE P 49 5.606 3.243 -8.088 1.00 1.00 N ATOM 819 CA ILE P 49 6.939 3.710 -8.483 1.00 1.00 C ATOM 820 C ILE P 49 7.445 2.920 -9.685 1.00 1.00 C ATOM 821 O ILE P 49 8.004 3.487 -10.620 1.00 1.00 O ATOM 822 CB ILE P 49 7.924 3.574 -7.317 1.00 1.00 C ATOM 823 CG1 ILE P 49 7.561 4.563 -6.180 1.00 1.00 C ATOM 824 CG2 ILE P 49 9.365 3.826 -7.787 1.00 1.00 C ATOM 825 CD1 ILE P 49 7.612 6.029 -6.653 1.00 1.00 C ATOM 0 H ILE P 49 5.555 2.834 -7.155 1.00 1.00 H new ATOM 0 HA ILE P 49 6.864 4.762 -8.758 1.00 1.00 H new ATOM 0 HB ILE P 49 7.854 2.555 -6.936 1.00 1.00 H new ATOM 0 HG12 ILE P 49 6.562 4.337 -5.808 1.00 1.00 H new ATOM 0 HG13 ILE P 49 8.250 4.427 -5.347 1.00 1.00 H new ATOM 0 HG21 ILE P 49 10.046 3.724 -6.942 1.00 1.00 H new ATOM 0 HG22 ILE P 49 9.629 3.100 -8.556 1.00 1.00 H new ATOM 0 HG23 ILE P 49 9.443 4.833 -8.197 1.00 1.00 H new ATOM 0 HD11 ILE P 49 7.351 6.688 -5.825 1.00 1.00 H new ATOM 0 HD12 ILE P 49 8.618 6.264 -7.001 1.00 1.00 H new ATOM 0 HD13 ILE P 49 6.903 6.173 -7.469 1.00 1.00 H new ATOM 837 N VAL P 50 7.246 1.617 -9.655 1.00 1.00 N ATOM 838 CA VAL P 50 7.690 0.776 -10.752 1.00 1.00 C ATOM 839 C VAL P 50 6.993 1.228 -12.029 1.00 1.00 C ATOM 840 O VAL P 50 7.607 1.301 -13.093 1.00 1.00 O ATOM 841 CB VAL P 50 7.371 -0.697 -10.445 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.528 -1.556 -11.708 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.335 -1.213 -9.363 1.00 1.00 C ATOM 0 H VAL P 50 6.785 1.121 -8.892 1.00 1.00 H new ATOM 0 HA VAL P 50 8.768 0.867 -10.882 1.00 1.00 H new ATOM 0 HB VAL P 50 6.341 -0.766 -10.094 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.298 -2.595 -11.472 1.00 1.00 H new ATOM 0 HG12 VAL P 50 6.844 -1.199 -12.478 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.553 -1.484 -12.072 1.00 1.00 H new ATOM 0 HG21 VAL P 50 8.111 -2.257 -9.144 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.361 -1.130 -9.720 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.217 -0.619 -8.457 1.00 1.00 H new ATOM 853 N MET P 51 5.708 1.535 -11.911 1.00 1.00 N ATOM 854 CA MET P 51 4.925 1.985 -13.044 1.00 1.00 C ATOM 855 C MET P 51 5.454 3.317 -13.575 1.00 1.00 C ATOM 856 O MET P 51 5.340 3.591 -14.770 1.00 1.00 O ATOM 857 CB MET P 51 3.455 2.152 -12.634 1.00 1.00 C ATOM 858 CG MET P 51 2.788 0.806 -12.165 1.00 1.00 C ATOM 859 SD MET P 51 3.975 -0.577 -12.075 1.00 1.00 S ATOM 860 CE MET P 51 3.919 -1.107 -13.804 1.00 1.00 C ATOM 0 H MET P 51 5.188 1.479 -11.036 1.00 1.00 H new ATOM 0 HA MET P 51 5.005 1.234 -13.830 1.00 1.00 H new ATOM 0 HB2 MET P 51 3.390 2.883 -11.828 1.00 1.00 H new ATOM 0 HB3 MET P 51 2.893 2.555 -13.476 1.00 1.00 H new ATOM 0 HG2 MET P 51 2.333 0.953 -11.185 1.00 1.00 H new ATOM 0 HG3 MET P 51 1.984 0.545 -12.853 1.00 1.00 H new ATOM 0 HE1 MET P 51 3.451 -2.089 -13.869 1.00 1.00 H new ATOM 0 HE2 MET P 51 3.340 -0.390 -14.386 1.00 1.00 H new ATOM 0 HE3 MET P 51 4.933 -1.162 -14.201 1.00 1.00 H new ATOM 870 N LEU P 52 6.028 4.152 -12.702 1.00 1.00 N ATOM 871 CA LEU P 52 6.546 5.444 -13.164 1.00 1.00 C ATOM 872 C LEU P 52 7.647 5.260 -14.196 1.00 1.00 C ATOM 873 O LEU P 52 7.719 6.007 -15.173 1.00 1.00 O ATOM 874 CB LEU P 52 7.084 6.287 -11.999 1.00 1.00 C ATOM 875 CG LEU P 52 5.933 6.803 -11.115 1.00 1.00 C ATOM 876 CD1 LEU P 52 6.522 7.494 -9.874 1.00 1.00 C ATOM 877 CD2 LEU P 52 5.056 7.814 -11.900 1.00 1.00 C ATOM 0 H LEU P 52 6.144 3.967 -11.706 1.00 1.00 H new ATOM 0 HA LEU P 52 5.708 5.970 -13.622 1.00 1.00 H new ATOM 0 HB2 LEU P 52 7.769 5.689 -11.398 1.00 1.00 H new ATOM 0 HB3 LEU P 52 7.655 7.130 -12.388 1.00 1.00 H new ATOM 0 HG LEU P 52 5.311 5.960 -10.815 1.00 1.00 H new ATOM 0 HD11 LEU P 52 5.712 7.862 -9.244 1.00 1.00 H new ATOM 0 HD12 LEU P 52 7.124 6.780 -9.312 1.00 1.00 H new ATOM 0 HD13 LEU P 52 7.148 8.330 -10.186 1.00 1.00 H new ATOM 0 HD21 LEU P 52 4.248 8.168 -11.260 1.00 1.00 H new ATOM 0 HD22 LEU P 52 5.668 8.660 -12.213 1.00 1.00 H new ATOM 0 HD23 LEU P 52 4.635 7.325 -12.779 1.00 1.00 H new ATOM 889 N LEU P 53 8.507 4.266 -13.987 1.00 1.00 N ATOM 890 CA LEU P 53 9.611 3.993 -14.912 1.00 1.00 C ATOM 891 C LEU P 53 9.789 2.487 -15.076 1.00 1.00 C ATOM 892 O LEU P 53 10.405 1.887 -14.210 1.00 1.00 O ATOM 893 CB LEU P 53 10.916 4.588 -14.370 1.00 1.00 C ATOM 894 CG LEU P 53 10.833 6.121 -14.291 1.00 1.00 C ATOM 895 CD1 LEU P 53 12.060 6.649 -13.539 1.00 1.00 C ATOM 896 CD2 LEU P 53 10.794 6.735 -15.709 1.00 1.00 C ATOM 897 OXT LEU P 53 9.308 1.957 -16.064 1.00 1.00 O ATOM 0 H LEU P 53 8.463 3.635 -13.187 1.00 1.00 H new ATOM 0 HA LEU P 53 9.375 4.446 -15.875 1.00 1.00 H new ATOM 0 HB2 LEU P 53 11.122 4.180 -13.380 1.00 1.00 H new ATOM 0 HB3 LEU P 53 11.747 4.298 -15.014 1.00 1.00 H new ATOM 0 HG LEU P 53 9.921 6.402 -13.765 1.00 1.00 H new ATOM 0 HD11 LEU P 53 12.009 7.736 -13.478 1.00 1.00 H new ATOM 0 HD12 LEU P 53 12.078 6.230 -12.533 1.00 1.00 H new ATOM 0 HD13 LEU P 53 12.966 6.357 -14.070 1.00 1.00 H new ATOM 0 HD21 LEU P 53 10.735 7.821 -15.634 1.00 1.00 H new ATOM 0 HD22 LEU P 53 11.698 6.457 -16.251 1.00 1.00 H new ATOM 0 HD23 LEU P 53 9.921 6.361 -16.244 1.00 1.00 H new