USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 477 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 1 ALA N :NH3+ 174:sc= -1.34 (180deg=-1.41) USER MOD Single : P 2 MET CE :methyl 153:sc= -0.175 (180deg=-1.08) USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.33) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 86:sc= 1.17 USER MOD Single : P 11 SER OG : rot -19:sc= -0.0319 USER MOD Single : P 17 SER OG : rot 180:sc= 0 USER MOD Single : P 18 THR OG1 : rot -74:sc= 0.949 USER MOD Single : P 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 23 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : P 24 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : P 27 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : P 28 ASN : amide:sc= -1.1 X(o=-1.1,f=-1) USER MOD Single : P 30 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.14) USER MOD Single : P 31 ASN : amide:sc= -2.45! C(o=-2.4!,f=-4.9!) USER MOD Single : P 35 ASN : amide:sc=-0.00266 K(o=-0.0027,f=-1.3) USER MOD Single : P 51 MET CE :methyl -165:sc= 0 (180deg=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 -8.850 31.517 7.335 1.00 1.00 N ATOM 2 CA ALA P 1 -9.018 32.993 7.418 1.00 1.00 C ATOM 3 C ALA P 1 -9.333 33.386 8.857 1.00 1.00 C ATOM 4 O ALA P 1 -9.140 34.537 9.252 1.00 1.00 O ATOM 5 CB ALA P 1 -10.163 33.424 6.500 1.00 1.00 C ATOM 0 H1 ALA P 1 -8.736 31.236 6.340 1.00 1.00 H new ATOM 0 H2 ALA P 1 -8.007 31.233 7.874 1.00 1.00 H new ATOM 0 H3 ALA P 1 -9.689 31.049 7.733 1.00 1.00 H new ATOM 0 HA ALA P 1 -8.099 33.487 7.104 1.00 1.00 H new ATOM 0 HB1 ALA P 1 -10.289 34.505 6.558 1.00 1.00 H new ATOM 0 HB2 ALA P 1 -9.932 33.140 5.473 1.00 1.00 H new ATOM 0 HB3 ALA P 1 -11.085 32.934 6.813 1.00 1.00 H new ATOM 13 N MET P 2 -9.822 32.422 9.635 1.00 1.00 N ATOM 14 CA MET P 2 -10.166 32.675 11.033 1.00 1.00 C ATOM 15 C MET P 2 -8.922 32.620 11.917 1.00 1.00 C ATOM 16 O MET P 2 -7.920 31.999 11.565 1.00 1.00 O ATOM 17 CB MET P 2 -11.185 31.642 11.521 1.00 1.00 C ATOM 18 CG MET P 2 -12.516 31.851 10.796 1.00 1.00 C ATOM 19 SD MET P 2 -13.692 30.566 11.295 1.00 1.00 S ATOM 20 CE MET P 2 -13.879 31.069 13.024 1.00 1.00 C ATOM 0 H MET P 2 -9.988 31.465 9.324 1.00 1.00 H new ATOM 0 HA MET P 2 -10.600 33.673 11.099 1.00 1.00 H new ATOM 0 HB2 MET P 2 -10.813 30.634 11.336 1.00 1.00 H new ATOM 0 HB3 MET P 2 -11.327 31.737 12.598 1.00 1.00 H new ATOM 0 HG2 MET P 2 -12.918 32.836 11.031 1.00 1.00 H new ATOM 0 HG3 MET P 2 -12.363 31.818 9.717 1.00 1.00 H new ATOM 0 HE1 MET P 2 -14.858 30.759 13.389 1.00 1.00 H new ATOM 0 HE2 MET P 2 -13.102 30.598 13.626 1.00 1.00 H new ATOM 0 HE3 MET P 2 -13.790 32.153 13.099 1.00 1.00 H new ATOM 30 N GLU P 3 -8.996 33.278 13.068 1.00 1.00 N ATOM 31 CA GLU P 3 -7.871 33.302 13.998 1.00 1.00 C ATOM 32 C GLU P 3 -7.616 31.915 14.581 1.00 1.00 C ATOM 33 O GLU P 3 -6.473 31.540 14.840 1.00 1.00 O ATOM 34 CB GLU P 3 -8.146 34.294 15.132 1.00 1.00 C ATOM 35 CG GLU P 3 -9.419 33.889 15.877 1.00 1.00 C ATOM 36 CD GLU P 3 -9.723 34.905 16.971 1.00 1.00 C ATOM 37 OE1 GLU P 3 -8.783 35.458 17.520 1.00 1.00 O ATOM 38 OE2 GLU P 3 -10.892 35.115 17.246 1.00 1.00 O ATOM 0 H GLU P 3 -9.816 33.799 13.379 1.00 1.00 H new ATOM 0 HA GLU P 3 -6.984 33.616 13.448 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -7.302 34.316 15.821 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -8.254 35.301 14.729 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -10.255 33.830 15.181 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -9.296 32.898 16.313 1.00 1.00 H new ATOM 45 N LYS P 4 -8.690 31.164 14.783 1.00 1.00 N ATOM 46 CA LYS P 4 -8.582 29.818 15.338 1.00 1.00 C ATOM 47 C LYS P 4 -7.779 28.915 14.406 1.00 1.00 C ATOM 48 O LYS P 4 -7.487 27.769 14.735 1.00 1.00 O ATOM 49 CB LYS P 4 -9.979 29.231 15.537 1.00 1.00 C ATOM 50 CG LYS P 4 -10.729 30.037 16.601 1.00 1.00 C ATOM 51 CD LYS P 4 -12.148 29.484 16.757 1.00 1.00 C ATOM 52 CE LYS P 4 -12.899 30.301 17.808 1.00 1.00 C ATOM 53 NZ LYS P 4 -14.292 29.788 17.932 1.00 1.00 N ATOM 0 H LYS P 4 -9.643 31.460 14.573 1.00 1.00 H new ATOM 0 HA LYS P 4 -8.067 29.878 16.297 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -10.530 29.250 14.597 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -9.906 28.187 15.842 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -10.200 29.983 17.553 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -10.767 31.088 16.316 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -12.674 29.527 15.803 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -12.111 28.436 17.054 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -12.389 30.235 18.769 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -12.911 31.354 17.526 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -14.804 30.343 18.647 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -14.776 29.873 17.016 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -14.270 28.789 18.220 1.00 1.00 H new ATOM 67 N VAL P 5 -7.427 29.444 13.244 1.00 1.00 N ATOM 68 CA VAL P 5 -6.660 28.681 12.272 1.00 1.00 C ATOM 69 C VAL P 5 -5.280 28.335 12.831 1.00 1.00 C ATOM 70 O VAL P 5 -4.805 27.210 12.686 1.00 1.00 O ATOM 71 CB VAL P 5 -6.526 29.477 10.965 1.00 1.00 C ATOM 72 CG1 VAL P 5 -5.556 28.767 10.013 1.00 1.00 C ATOM 73 CG2 VAL P 5 -7.903 29.581 10.295 1.00 1.00 C ATOM 0 H VAL P 5 -7.659 30.394 12.952 1.00 1.00 H new ATOM 0 HA VAL P 5 -7.187 27.750 12.063 1.00 1.00 H new ATOM 0 HB VAL P 5 -6.143 30.472 11.190 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -5.468 29.339 9.090 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -4.577 28.687 10.485 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -5.933 27.769 9.787 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -7.814 30.145 9.367 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -8.278 28.581 10.078 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -8.596 30.091 10.964 1.00 1.00 H new ATOM 83 N GLN P 6 -4.648 29.312 13.468 1.00 1.00 N ATOM 84 CA GLN P 6 -3.320 29.111 14.047 1.00 1.00 C ATOM 85 C GLN P 6 -3.357 28.089 15.180 1.00 1.00 C ATOM 86 O GLN P 6 -2.539 27.171 15.222 1.00 1.00 O ATOM 87 CB GLN P 6 -2.771 30.439 14.570 1.00 1.00 C ATOM 88 CG GLN P 6 -2.594 31.429 13.413 1.00 1.00 C ATOM 89 CD GLN P 6 -1.531 30.923 12.440 1.00 1.00 C ATOM 90 OE1 GLN P 6 -0.436 30.548 12.859 1.00 1.00 O ATOM 91 NE2 GLN P 6 -1.791 30.890 11.160 1.00 1.00 N ATOM 0 H GLN P 6 -5.029 30.249 13.598 1.00 1.00 H new ATOM 0 HA GLN P 6 -2.667 28.728 13.263 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -3.451 30.855 15.314 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -1.815 30.275 15.068 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -3.541 31.561 12.891 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -2.305 32.405 13.802 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -2.699 31.201 10.816 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -1.086 30.553 10.505 1.00 1.00 H new ATOM 100 N TYR P 7 -4.305 28.251 16.094 1.00 1.00 N ATOM 101 CA TYR P 7 -4.432 27.332 17.224 1.00 1.00 C ATOM 102 C TYR P 7 -4.721 25.916 16.735 1.00 1.00 C ATOM 103 O TYR P 7 -4.021 24.971 17.095 1.00 1.00 O ATOM 104 CB TYR P 7 -5.566 27.801 18.140 1.00 1.00 C ATOM 105 CG TYR P 7 -5.774 26.805 19.259 1.00 1.00 C ATOM 106 CD1 TYR P 7 -4.986 26.868 20.415 1.00 1.00 C ATOM 107 CD2 TYR P 7 -6.762 25.820 19.138 1.00 1.00 C ATOM 108 CE1 TYR P 7 -5.185 25.944 21.449 1.00 1.00 C ATOM 109 CE2 TYR P 7 -6.960 24.897 20.173 1.00 1.00 C ATOM 110 CZ TYR P 7 -6.171 24.960 21.326 1.00 1.00 C ATOM 111 OH TYR P 7 -6.367 24.052 22.344 1.00 1.00 O ATOM 0 H TYR P 7 -4.994 29.003 16.078 1.00 1.00 H new ATOM 0 HA TYR P 7 -3.492 27.324 17.776 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -5.328 28.781 18.554 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -6.486 27.912 17.566 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -4.225 27.629 20.509 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -7.371 25.772 18.247 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -4.577 25.992 22.341 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -7.722 24.137 20.081 1.00 1.00 H new ATOM 0 HH TYR P 7 -7.090 23.438 22.100 1.00 1.00 H new ATOM 121 N LEU P 8 -5.757 25.778 15.916 1.00 1.00 N ATOM 122 CA LEU P 8 -6.124 24.468 15.390 1.00 1.00 C ATOM 123 C LEU P 8 -4.902 23.773 14.798 1.00 1.00 C ATOM 124 O LEU P 8 -4.739 22.561 14.941 1.00 1.00 O ATOM 125 CB LEU P 8 -7.215 24.616 14.326 1.00 1.00 C ATOM 126 CG LEU P 8 -8.551 25.019 14.978 1.00 1.00 C ATOM 127 CD1 LEU P 8 -9.509 25.505 13.885 1.00 1.00 C ATOM 128 CD2 LEU P 8 -9.195 23.818 15.711 1.00 1.00 C ATOM 0 H LEU P 8 -6.351 26.546 15.605 1.00 1.00 H new ATOM 0 HA LEU P 8 -6.509 23.858 16.207 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -6.919 25.368 13.595 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -7.335 23.677 13.786 1.00 1.00 H new ATOM 0 HG LEU P 8 -8.360 25.809 15.704 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -10.459 25.793 14.335 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -9.074 26.364 13.375 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -9.677 24.703 13.166 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -10.137 24.130 16.162 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -9.382 23.015 14.998 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -8.520 23.462 16.489 1.00 1.00 H new ATOM 140 N THR P 9 -4.043 24.543 14.141 1.00 1.00 N ATOM 141 CA THR P 9 -2.840 23.977 13.544 1.00 1.00 C ATOM 142 C THR P 9 -1.940 23.380 14.626 1.00 1.00 C ATOM 143 O THR P 9 -1.426 22.268 14.481 1.00 1.00 O ATOM 144 CB THR P 9 -2.074 25.053 12.770 1.00 1.00 C ATOM 145 OG1 THR P 9 -2.968 25.743 11.905 1.00 1.00 O ATOM 146 CG2 THR P 9 -0.953 24.400 11.957 1.00 1.00 C ATOM 0 H THR P 9 -4.154 25.548 14.009 1.00 1.00 H new ATOM 0 HA THR P 9 -3.137 23.187 12.854 1.00 1.00 H new ATOM 0 HB THR P 9 -1.636 25.765 13.470 1.00 1.00 H new ATOM 0 HG1 THR P 9 -3.399 26.474 12.395 1.00 1.00 H new ATOM 0 HG21 THR P 9 -0.408 25.167 11.406 1.00 1.00 H new ATOM 0 HG22 THR P 9 -0.270 23.882 12.630 1.00 1.00 H new ATOM 0 HG23 THR P 9 -1.382 23.685 11.255 1.00 1.00 H new ATOM 154 N ARG P 10 -1.748 24.122 15.717 1.00 1.00 N ATOM 155 CA ARG P 10 -0.909 23.642 16.803 1.00 1.00 C ATOM 156 C ARG P 10 -1.485 22.348 17.369 1.00 1.00 C ATOM 157 O ARG P 10 -0.760 21.384 17.610 1.00 1.00 O ATOM 158 CB ARG P 10 -0.814 24.706 17.900 1.00 1.00 C ATOM 159 CG ARG P 10 0.136 24.230 18.998 1.00 1.00 C ATOM 160 CD ARG P 10 0.370 25.364 19.997 1.00 1.00 C ATOM 161 NE ARG P 10 -0.866 25.696 20.698 1.00 1.00 N ATOM 162 CZ ARG P 10 -0.925 26.744 21.511 1.00 1.00 C ATOM 163 NH1 ARG P 10 0.132 27.488 21.685 1.00 1.00 N ATOM 164 NH2 ARG P 10 -2.035 27.030 22.133 1.00 1.00 N ATOM 0 H ARG P 10 -2.158 25.044 15.867 1.00 1.00 H new ATOM 0 HA ARG P 10 0.092 23.444 16.421 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -0.457 25.646 17.479 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -1.802 24.900 18.319 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -0.285 23.363 19.508 1.00 1.00 H new ATOM 0 HG3 ARG P 10 1.084 23.914 18.562 1.00 1.00 H new ATOM 0 HD2 ARG P 10 1.134 25.070 20.716 1.00 1.00 H new ATOM 0 HD3 ARG P 10 0.746 26.244 19.475 1.00 1.00 H new ATOM 0 HE ARG P 10 -1.694 25.116 20.562 1.00 1.00 H new ATOM 0 HH11 ARG P 10 0.999 27.264 21.197 1.00 1.00 H new ATOM 0 HH12 ARG P 10 0.091 28.294 22.309 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -2.861 26.448 21.996 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -2.077 27.836 22.757 1.00 1.00 H new ATOM 178 N SER P 11 -2.794 22.340 17.567 1.00 1.00 N ATOM 179 CA SER P 11 -3.483 21.168 18.097 1.00 1.00 C ATOM 180 C SER P 11 -3.405 20.037 17.081 1.00 1.00 C ATOM 181 O SER P 11 -3.312 18.867 17.433 1.00 1.00 O ATOM 182 CB SER P 11 -4.944 21.508 18.391 1.00 1.00 C ATOM 183 OG SER P 11 -5.569 21.951 17.192 1.00 1.00 O ATOM 0 H SER P 11 -3.404 23.133 17.369 1.00 1.00 H new ATOM 0 HA SER P 11 -3.004 20.855 19.025 1.00 1.00 H new ATOM 0 HB2 SER P 11 -5.462 20.633 18.784 1.00 1.00 H new ATOM 0 HB3 SER P 11 -5.003 22.283 19.155 1.00 1.00 H new ATOM 0 HG SER P 11 -4.883 22.229 16.549 1.00 1.00 H new ATOM 189 N ALA P 12 -3.436 20.416 15.811 1.00 1.00 N ATOM 190 CA ALA P 12 -3.362 19.440 14.738 1.00 1.00 C ATOM 191 C ALA P 12 -2.124 18.598 14.968 1.00 1.00 C ATOM 192 O ALA P 12 -2.092 17.399 14.700 1.00 1.00 O ATOM 193 CB ALA P 12 -3.286 20.140 13.374 1.00 1.00 C ATOM 0 H ALA P 12 -3.511 21.385 15.502 1.00 1.00 H new ATOM 0 HA ALA P 12 -4.254 18.814 14.736 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -3.231 19.392 12.583 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -4.175 20.755 13.231 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -2.398 20.771 13.338 1.00 1.00 H new ATOM 199 N ILE P 13 -1.109 19.269 15.483 1.00 1.00 N ATOM 200 CA ILE P 13 0.169 18.637 15.784 1.00 1.00 C ATOM 201 C ILE P 13 0.058 17.797 17.071 1.00 1.00 C ATOM 202 O ILE P 13 0.592 16.693 17.148 1.00 1.00 O ATOM 203 CB ILE P 13 1.286 19.744 15.858 1.00 1.00 C ATOM 204 CG1 ILE P 13 2.399 19.480 14.809 1.00 1.00 C ATOM 205 CG2 ILE P 13 1.931 19.853 17.251 1.00 1.00 C ATOM 206 CD1 ILE P 13 3.214 18.232 15.183 1.00 1.00 C ATOM 0 H ILE P 13 -1.144 20.264 15.705 1.00 1.00 H new ATOM 0 HA ILE P 13 0.450 17.943 14.992 1.00 1.00 H new ATOM 0 HB ILE P 13 0.784 20.688 15.644 1.00 1.00 H new ATOM 0 HG12 ILE P 13 1.952 19.347 13.824 1.00 1.00 H new ATOM 0 HG13 ILE P 13 3.059 20.346 14.746 1.00 1.00 H new ATOM 0 HG21 ILE P 13 2.693 20.632 17.239 1.00 1.00 H new ATOM 0 HG22 ILE P 13 1.167 20.103 17.987 1.00 1.00 H new ATOM 0 HG23 ILE P 13 2.391 18.900 17.515 1.00 1.00 H new ATOM 0 HD11 ILE P 13 3.989 18.065 14.434 1.00 1.00 H new ATOM 0 HD12 ILE P 13 3.678 18.379 16.158 1.00 1.00 H new ATOM 0 HD13 ILE P 13 2.555 17.365 15.222 1.00 1.00 H new ATOM 218 N ARG P 14 -0.638 18.340 18.069 1.00 1.00 N ATOM 219 CA ARG P 14 -0.804 17.635 19.339 1.00 1.00 C ATOM 220 C ARG P 14 -1.594 16.352 19.125 1.00 1.00 C ATOM 221 O ARG P 14 -1.223 15.287 19.606 1.00 1.00 O ATOM 222 CB ARG P 14 -1.522 18.526 20.357 1.00 1.00 C ATOM 223 CG ARG P 14 -1.587 17.812 21.708 1.00 1.00 C ATOM 224 CD ARG P 14 -2.168 18.757 22.760 1.00 1.00 C ATOM 225 NE ARG P 14 -3.561 19.084 22.446 1.00 1.00 N ATOM 226 CZ ARG P 14 -4.213 20.027 23.121 1.00 1.00 C ATOM 227 NH1 ARG P 14 -3.607 20.680 24.072 1.00 1.00 N ATOM 228 NH2 ARG P 14 -5.458 20.303 22.833 1.00 1.00 N ATOM 0 H ARG P 14 -1.090 19.253 18.025 1.00 1.00 H new ATOM 0 HA ARG P 14 0.183 17.386 19.728 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -0.995 19.475 20.461 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -2.528 18.757 20.007 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -2.204 16.917 21.628 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -0.591 17.487 22.007 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -2.111 18.293 23.745 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -1.575 19.671 22.803 1.00 1.00 H new ATOM 0 HE ARG P 14 -4.039 18.581 21.698 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -2.635 20.468 24.297 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -4.105 21.403 24.591 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -5.934 19.794 22.088 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -5.953 21.027 23.354 1.00 1.00 H new ATOM 242 N ARG P 15 -2.684 16.480 18.398 1.00 1.00 N ATOM 243 CA ARG P 15 -3.545 15.357 18.103 1.00 1.00 C ATOM 244 C ARG P 15 -2.724 14.234 17.510 1.00 1.00 C ATOM 245 O ARG P 15 -2.952 13.065 17.792 1.00 1.00 O ATOM 246 CB ARG P 15 -4.623 15.808 17.124 1.00 1.00 C ATOM 247 CG ARG P 15 -5.565 16.772 17.846 1.00 1.00 C ATOM 248 CD ARG P 15 -6.520 17.406 16.843 1.00 1.00 C ATOM 249 NE ARG P 15 -7.353 16.385 16.223 1.00 1.00 N ATOM 250 CZ ARG P 15 -8.191 16.697 15.241 1.00 1.00 C ATOM 251 NH1 ARG P 15 -8.260 17.930 14.808 1.00 1.00 N ATOM 252 NH2 ARG P 15 -8.940 15.773 14.708 1.00 1.00 N ATOM 0 H ARG P 15 -2.997 17.364 17.996 1.00 1.00 H new ATOM 0 HA ARG P 15 -4.019 14.994 19.015 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -4.170 16.297 16.261 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -5.177 14.948 16.749 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -6.128 16.239 18.612 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -4.989 17.546 18.354 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -7.148 18.142 17.344 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -5.954 17.937 16.078 1.00 1.00 H new ATOM 0 HE ARG P 15 -7.292 15.420 16.546 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -7.670 18.651 15.225 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -8.903 18.170 14.054 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -8.882 14.812 15.045 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -9.584 16.011 13.954 1.00 1.00 H new ATOM 266 N ALA P 16 -1.747 14.582 16.695 1.00 1.00 N ATOM 267 CA ALA P 16 -0.912 13.553 16.105 1.00 1.00 C ATOM 268 C ALA P 16 -0.312 12.748 17.235 1.00 1.00 C ATOM 269 O ALA P 16 0.047 11.580 17.080 1.00 1.00 O ATOM 270 CB ALA P 16 0.195 14.146 15.231 1.00 1.00 C ATOM 0 H ALA P 16 -1.516 15.540 16.432 1.00 1.00 H new ATOM 0 HA ALA P 16 -1.520 12.924 15.455 1.00 1.00 H new ATOM 0 HB1 ALA P 16 0.796 13.341 14.809 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -0.251 14.727 14.424 1.00 1.00 H new ATOM 0 HB3 ALA P 16 0.829 14.793 15.837 1.00 1.00 H new ATOM 276 N SER P 17 -0.226 13.416 18.383 1.00 1.00 N ATOM 277 CA SER P 17 0.311 12.810 19.587 1.00 1.00 C ATOM 278 C SER P 17 -0.800 12.043 20.310 1.00 1.00 C ATOM 279 O SER P 17 -0.741 10.824 20.424 1.00 1.00 O ATOM 280 CB SER P 17 0.920 13.881 20.515 1.00 1.00 C ATOM 281 OG SER P 17 1.994 13.299 21.244 1.00 1.00 O ATOM 0 H SER P 17 -0.525 14.384 18.499 1.00 1.00 H new ATOM 0 HA SER P 17 1.106 12.117 19.310 1.00 1.00 H new ATOM 0 HB2 SER P 17 1.277 14.729 19.930 1.00 1.00 H new ATOM 0 HB3 SER P 17 0.162 14.262 21.199 1.00 1.00 H new ATOM 0 HG SER P 17 2.390 13.972 21.836 1.00 1.00 H new ATOM 287 N THR P 18 -1.814 12.770 20.821 1.00 1.00 N ATOM 288 CA THR P 18 -2.931 12.142 21.560 1.00 1.00 C ATOM 289 C THR P 18 -4.317 12.409 20.940 1.00 1.00 C ATOM 290 O THR P 18 -5.281 12.627 21.671 1.00 1.00 O ATOM 291 CB THR P 18 -2.917 12.657 23.007 1.00 1.00 C ATOM 292 OG1 THR P 18 -4.075 12.190 23.689 1.00 1.00 O ATOM 293 CG2 THR P 18 -2.900 14.187 23.009 1.00 1.00 C ATOM 0 H THR P 18 -1.884 13.784 20.737 1.00 1.00 H new ATOM 0 HA THR P 18 -2.775 11.064 21.513 1.00 1.00 H new ATOM 0 HB THR P 18 -2.025 12.288 23.514 1.00 1.00 H new ATOM 0 HG1 THR P 18 -4.860 12.690 23.382 1.00 1.00 H new ATOM 0 HG21 THR P 18 -2.890 14.549 24.037 1.00 1.00 H new ATOM 0 HG22 THR P 18 -2.009 14.542 22.491 1.00 1.00 H new ATOM 0 HG23 THR P 18 -3.789 14.561 22.501 1.00 1.00 H new ATOM 301 N ILE P 19 -4.402 12.378 19.602 1.00 1.00 N ATOM 302 CA ILE P 19 -5.688 12.606 18.888 1.00 1.00 C ATOM 303 C ILE P 19 -6.834 11.994 19.703 1.00 1.00 C ATOM 304 O ILE P 19 -7.973 12.464 19.672 1.00 1.00 O ATOM 305 CB ILE P 19 -5.606 11.946 17.506 1.00 1.00 C ATOM 306 CG1 ILE P 19 -7.001 11.779 16.842 1.00 1.00 C ATOM 307 CG2 ILE P 19 -4.964 10.574 17.681 1.00 1.00 C ATOM 308 CD1 ILE P 19 -7.688 13.140 16.631 1.00 1.00 C ATOM 0 H ILE P 19 -3.608 12.200 18.987 1.00 1.00 H new ATOM 0 HA ILE P 19 -5.873 13.674 18.768 1.00 1.00 H new ATOM 0 HB ILE P 19 -5.016 12.588 16.851 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -6.891 11.272 15.883 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -7.630 11.145 17.467 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -4.892 10.080 16.712 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -3.966 10.690 18.104 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -5.574 9.970 18.352 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -8.661 12.988 16.165 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -7.820 13.634 17.594 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -7.070 13.763 15.985 1.00 1.00 H new ATOM 320 N GLU P 20 -6.489 10.933 20.442 1.00 1.00 N ATOM 321 CA GLU P 20 -7.431 10.216 21.295 1.00 1.00 C ATOM 322 C GLU P 20 -6.783 9.952 22.656 1.00 1.00 C ATOM 323 O GLU P 20 -5.889 9.118 22.796 1.00 1.00 O ATOM 324 CB GLU P 20 -7.887 8.908 20.613 1.00 1.00 C ATOM 325 CG GLU P 20 -6.829 7.797 20.721 1.00 1.00 C ATOM 326 CD GLU P 20 -7.088 6.729 19.646 1.00 1.00 C ATOM 327 OE1 GLU P 20 -7.972 5.918 19.850 1.00 1.00 O ATOM 328 OE2 GLU P 20 -6.399 6.743 18.636 1.00 1.00 O ATOM 0 H GLU P 20 -5.544 10.550 20.462 1.00 1.00 H new ATOM 0 HA GLU P 20 -8.322 10.824 21.453 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -8.817 8.568 21.069 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -8.100 9.103 19.562 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -5.831 8.218 20.596 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -6.862 7.345 21.712 1.00 1.00 H new ATOM 335 N MET P 21 -7.256 10.695 23.655 1.00 1.00 N ATOM 336 CA MET P 21 -6.745 10.579 25.027 1.00 1.00 C ATOM 337 C MET P 21 -6.334 9.141 25.381 1.00 1.00 C ATOM 338 O MET P 21 -5.179 8.923 25.746 1.00 1.00 O ATOM 339 CB MET P 21 -7.770 11.111 26.069 1.00 1.00 C ATOM 340 CG MET P 21 -8.807 12.002 25.387 1.00 1.00 C ATOM 341 SD MET P 21 -7.967 13.335 24.501 1.00 1.00 S ATOM 342 CE MET P 21 -9.384 13.846 23.505 1.00 1.00 C ATOM 0 H MET P 21 -7.996 11.388 23.543 1.00 1.00 H new ATOM 0 HA MET P 21 -5.851 11.201 25.068 1.00 1.00 H new ATOM 0 HB2 MET P 21 -8.267 10.274 26.560 1.00 1.00 H new ATOM 0 HB3 MET P 21 -7.251 11.674 26.845 1.00 1.00 H new ATOM 0 HG2 MET P 21 -9.409 11.413 24.695 1.00 1.00 H new ATOM 0 HG3 MET P 21 -9.489 12.417 26.129 1.00 1.00 H new ATOM 0 HE1 MET P 21 -9.096 14.678 22.863 1.00 1.00 H new ATOM 0 HE2 MET P 21 -9.716 13.010 22.889 1.00 1.00 H new ATOM 0 HE3 MET P 21 -10.196 14.158 24.161 1.00 1.00 H new ATOM 352 N PRO P 22 -7.225 8.158 25.299 1.00 1.00 N ATOM 353 CA PRO P 22 -6.868 6.748 25.642 1.00 1.00 C ATOM 354 C PRO P 22 -5.466 6.410 25.126 1.00 1.00 C ATOM 355 O PRO P 22 -5.153 6.568 23.952 1.00 1.00 O ATOM 356 CB PRO P 22 -7.982 5.888 24.979 1.00 1.00 C ATOM 357 CG PRO P 22 -8.888 6.869 24.262 1.00 1.00 C ATOM 358 CD PRO P 22 -8.641 8.244 24.888 1.00 1.00 C ATOM 0 HA PRO P 22 -6.825 6.564 26.716 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -7.556 5.167 24.281 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -8.535 5.320 25.727 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -8.670 6.886 23.194 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -9.933 6.578 24.369 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -8.808 9.051 24.174 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -9.300 8.428 25.737 1.00 1.00 H new ATOM 366 N GLN P 23 -4.643 5.955 26.041 1.00 1.00 N ATOM 367 CA GLN P 23 -3.256 5.591 25.731 1.00 1.00 C ATOM 368 C GLN P 23 -3.164 4.232 25.054 1.00 1.00 C ATOM 369 O GLN P 23 -2.104 3.841 24.566 1.00 1.00 O ATOM 370 CB GLN P 23 -2.428 5.574 27.015 1.00 1.00 C ATOM 371 CG GLN P 23 -2.276 6.999 27.540 1.00 1.00 C ATOM 372 CD GLN P 23 -1.459 6.988 28.825 1.00 1.00 C ATOM 373 OE1 GLN P 23 -0.385 6.387 28.873 1.00 1.00 O ATOM 374 NE2 GLN P 23 -1.900 7.617 29.875 1.00 1.00 N ATOM 0 H GLN P 23 -4.901 5.823 27.019 1.00 1.00 H new ATOM 0 HA GLN P 23 -2.865 6.338 25.040 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -2.912 4.948 27.765 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -1.447 5.139 26.822 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -1.786 7.622 26.792 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -3.258 7.435 27.725 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -2.789 8.115 29.835 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -1.356 7.612 30.738 1.00 1.00 H new ATOM 383 N GLN P 24 -4.273 3.514 25.018 1.00 1.00 N ATOM 384 CA GLN P 24 -4.310 2.192 24.388 1.00 1.00 C ATOM 385 C GLN P 24 -4.934 2.331 23.015 1.00 1.00 C ATOM 386 O GLN P 24 -4.396 1.868 22.009 1.00 1.00 O ATOM 387 CB GLN P 24 -5.137 1.225 25.244 1.00 1.00 C ATOM 388 CG GLN P 24 -4.413 0.964 26.567 1.00 1.00 C ATOM 389 CD GLN P 24 -5.260 0.052 27.454 1.00 1.00 C ATOM 390 OE1 GLN P 24 -6.337 -0.384 27.047 1.00 1.00 O ATOM 391 NE2 GLN P 24 -4.837 -0.269 28.647 1.00 1.00 N ATOM 0 H GLN P 24 -5.162 3.818 25.415 1.00 1.00 H new ATOM 0 HA GLN P 24 -3.299 1.795 24.299 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -6.124 1.645 25.435 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -5.288 0.287 24.709 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -3.444 0.502 26.376 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -4.221 1.907 27.079 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -3.945 0.091 28.986 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -5.399 -0.880 29.240 1.00 1.00 H new ATOM 400 N ALA P 25 -6.084 2.982 22.997 1.00 1.00 N ATOM 401 CA ALA P 25 -6.785 3.183 21.743 1.00 1.00 C ATOM 402 C ALA P 25 -5.874 3.949 20.796 1.00 1.00 C ATOM 403 O ALA P 25 -5.981 3.841 19.580 1.00 1.00 O ATOM 404 CB ALA P 25 -8.101 3.939 21.956 1.00 1.00 C ATOM 0 H ALA P 25 -6.544 3.373 23.819 1.00 1.00 H new ATOM 0 HA ALA P 25 -7.037 2.214 21.313 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -8.602 4.074 20.998 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -8.745 3.368 22.625 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -7.893 4.914 22.397 1.00 1.00 H new ATOM 410 N ARG P 26 -4.970 4.722 21.379 1.00 1.00 N ATOM 411 CA ARG P 26 -4.030 5.508 20.622 1.00 1.00 C ATOM 412 C ARG P 26 -3.129 4.636 19.748 1.00 1.00 C ATOM 413 O ARG P 26 -3.023 4.872 18.554 1.00 1.00 O ATOM 414 CB ARG P 26 -3.206 6.320 21.629 1.00 1.00 C ATOM 415 CG ARG P 26 -2.029 7.018 20.950 1.00 1.00 C ATOM 416 CD ARG P 26 -1.299 7.910 21.967 1.00 1.00 C ATOM 417 NE ARG P 26 -0.216 8.660 21.320 1.00 1.00 N ATOM 418 CZ ARG P 26 0.703 9.302 22.040 1.00 1.00 C ATOM 419 NH1 ARG P 26 0.665 9.247 23.339 1.00 1.00 N ATOM 420 NH2 ARG P 26 1.648 9.986 21.447 1.00 1.00 N ATOM 0 H ARG P 26 -4.874 4.816 22.390 1.00 1.00 H new ATOM 0 HA ARG P 26 -4.563 6.167 19.936 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -3.844 7.062 22.109 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -2.836 5.661 22.415 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -1.341 6.278 20.541 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -2.384 7.619 20.113 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -2.006 8.603 22.423 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -0.892 7.296 22.770 1.00 1.00 H new ATOM 0 HE ARG P 26 -0.166 8.690 20.302 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -0.068 8.713 23.806 1.00 1.00 H new ATOM 0 HH12 ARG P 26 1.368 9.738 23.891 1.00 1.00 H new ATOM 0 HH21 ARG P 26 1.684 10.030 20.429 1.00 1.00 H new ATOM 0 HH22 ARG P 26 2.349 10.476 22.003 1.00 1.00 H new ATOM 434 N GLN P 27 -2.476 3.631 20.335 1.00 1.00 N ATOM 435 CA GLN P 27 -1.584 2.750 19.572 1.00 1.00 C ATOM 436 C GLN P 27 -2.296 1.503 19.051 1.00 1.00 C ATOM 437 O GLN P 27 -1.956 1.001 17.991 1.00 1.00 O ATOM 438 CB GLN P 27 -0.410 2.331 20.463 1.00 1.00 C ATOM 439 CG GLN P 27 0.491 3.544 20.732 1.00 1.00 C ATOM 440 CD GLN P 27 1.642 3.158 21.664 1.00 1.00 C ATOM 441 OE1 GLN P 27 1.786 1.989 22.022 1.00 1.00 O ATOM 442 NE2 GLN P 27 2.477 4.076 22.082 1.00 1.00 N ATOM 0 H GLN P 27 -2.546 3.406 21.328 1.00 1.00 H new ATOM 0 HA GLN P 27 -1.233 3.309 18.704 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -0.781 1.925 21.404 1.00 1.00 H new ATOM 0 HB3 GLN P 27 0.163 1.540 19.979 1.00 1.00 H new ATOM 0 HG2 GLN P 27 0.889 3.925 19.791 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -0.094 4.347 21.180 1.00 1.00 H new ATOM 0 HE21 GLN P 27 2.359 5.045 21.786 1.00 1.00 H new ATOM 0 HE22 GLN P 27 3.245 3.822 22.703 1.00 1.00 H new ATOM 451 N ASN P 28 -3.271 0.997 19.785 1.00 1.00 N ATOM 452 CA ASN P 28 -3.978 -0.200 19.334 1.00 2.15 C ATOM 453 C ASN P 28 -4.663 0.043 17.994 1.00 1.00 C ATOM 454 O ASN P 28 -4.485 -0.726 17.044 1.00 1.00 O ATOM 455 CB ASN P 28 -5.016 -0.602 20.383 1.00 1.00 C ATOM 456 CG ASN P 28 -4.327 -1.233 21.594 1.00 1.00 C ATOM 457 OD1 ASN P 28 -4.721 -0.980 22.729 1.00 1.00 O ATOM 458 ND2 ASN P 28 -3.318 -2.040 21.422 1.00 1.00 N ATOM 0 H ASN P 28 -3.589 1.381 20.675 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.254 -1.004 19.204 1.00 2.15 H new ATOM 0 HB2 ASN P 28 -5.586 0.273 20.695 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.726 -1.307 19.951 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -2.857 -2.460 22.229 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -2.989 -2.252 20.480 1.00 1.00 H new ATOM 465 N LEU P 29 -5.440 1.110 17.923 1.00 1.00 N ATOM 466 CA LEU P 29 -6.145 1.441 16.694 1.00 3.01 C ATOM 467 C LEU P 29 -5.184 1.969 15.663 1.00 1.00 C ATOM 468 O LEU P 29 -5.298 1.649 14.482 1.00 1.00 O ATOM 469 CB LEU P 29 -7.226 2.487 16.947 1.00 1.00 C ATOM 470 CG LEU P 29 -8.022 2.076 18.169 1.00 1.00 C ATOM 471 CD1 LEU P 29 -9.134 3.095 18.419 1.00 1.00 C ATOM 472 CD2 LEU P 29 -8.627 0.678 17.967 1.00 1.00 C ATOM 0 H LEU P 29 -5.599 1.758 18.694 1.00 1.00 H new ATOM 0 HA LEU P 29 -6.613 0.528 16.327 1.00 3.01 H new ATOM 0 HB2 LEU P 29 -6.775 3.467 17.102 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -7.881 2.571 16.080 1.00 1.00 H new ATOM 0 HG LEU P 29 -7.358 2.045 19.033 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -9.707 2.800 19.298 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -8.695 4.079 18.585 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -9.794 3.134 17.552 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -9.196 0.396 18.853 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -9.288 0.689 17.100 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -7.827 -0.045 17.804 1.00 1.00 H new ATOM 484 N GLN P 30 -4.224 2.785 16.099 1.00 1.00 N ATOM 485 CA GLN P 30 -3.260 3.331 15.147 1.00 3.62 C ATOM 486 C GLN P 30 -2.266 2.267 14.685 1.00 1.00 C ATOM 487 O GLN P 30 -1.770 2.331 13.568 1.00 1.00 O ATOM 488 CB GLN P 30 -2.499 4.508 15.753 1.00 1.00 C ATOM 489 CG GLN P 30 -3.493 5.628 16.094 1.00 1.00 C ATOM 490 CD GLN P 30 -4.033 6.260 14.817 1.00 1.00 C ATOM 491 OE1 GLN P 30 -3.262 6.761 13.997 1.00 1.00 O ATOM 492 NE2 GLN P 30 -5.320 6.269 14.594 1.00 1.00 N ATOM 0 H GLN P 30 -4.095 3.074 17.069 1.00 1.00 H new ATOM 0 HA GLN P 30 -3.826 3.678 14.283 1.00 3.62 H new ATOM 0 HB2 GLN P 30 -1.968 4.190 16.650 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -1.749 4.872 15.051 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -4.316 5.226 16.685 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -3.002 6.386 16.704 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -5.958 5.854 15.273 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -5.687 6.691 13.741 1.00 1.00 H new ATOM 501 N ASN P 31 -1.974 1.291 15.542 1.00 1.00 N ATOM 502 CA ASN P 31 -1.028 0.235 15.171 1.00 2.66 C ATOM 503 C ASN P 31 -1.592 -0.615 14.050 1.00 1.00 C ATOM 504 O ASN P 31 -0.893 -0.941 13.097 1.00 1.00 O ATOM 505 CB ASN P 31 -0.671 -0.649 16.379 1.00 1.00 C ATOM 506 CG ASN P 31 0.187 -1.832 15.949 1.00 1.00 C ATOM 507 OD1 ASN P 31 0.564 -1.935 14.783 1.00 1.00 O ATOM 508 ND2 ASN P 31 0.522 -2.738 16.829 1.00 1.00 N ATOM 0 H ASN P 31 -2.368 1.207 16.479 1.00 1.00 H new ATOM 0 HA ASN P 31 -0.114 0.717 14.824 1.00 2.66 H new ATOM 0 HB2 ASN P 31 -0.137 -0.058 17.123 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -1.584 -1.009 16.854 1.00 1.00 H new ATOM 0 HD21 ASN P 31 1.097 -3.533 16.549 1.00 1.00 H new ATOM 0 HD22 ASN P 31 0.208 -2.651 17.796 1.00 1.00 H new ATOM 515 N LEU P 32 -2.857 -0.970 14.166 1.00 1.00 N ATOM 516 CA LEU P 32 -3.487 -1.777 13.147 1.00 2.37 C ATOM 517 C LEU P 32 -3.530 -0.995 11.845 1.00 1.00 C ATOM 518 O LEU P 32 -3.174 -1.507 10.795 1.00 1.00 O ATOM 519 CB LEU P 32 -4.909 -2.153 13.573 1.00 1.00 C ATOM 520 CG LEU P 32 -4.883 -3.106 14.777 1.00 1.00 C ATOM 521 CD1 LEU P 32 -6.312 -3.257 15.307 1.00 1.00 C ATOM 522 CD2 LEU P 32 -4.327 -4.493 14.371 1.00 1.00 C ATOM 0 H LEU P 32 -3.461 -0.714 14.948 1.00 1.00 H new ATOM 0 HA LEU P 32 -2.911 -2.692 13.007 1.00 2.37 H new ATOM 0 HB2 LEU P 32 -5.467 -1.252 13.828 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.430 -2.626 12.740 1.00 1.00 H new ATOM 0 HG LEU P 32 -4.232 -2.694 15.548 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -6.313 -3.931 16.163 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.692 -2.282 15.612 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -6.950 -3.665 14.523 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -4.318 -5.150 15.240 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -4.959 -4.926 13.595 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -3.312 -4.381 13.991 1.00 1.00 H new ATOM 534 N PHE P 33 -3.964 0.256 11.929 1.00 1.00 N ATOM 535 CA PHE P 33 -4.043 1.097 10.742 1.00 2.64 C ATOM 536 C PHE P 33 -2.648 1.351 10.175 1.00 1.00 C ATOM 537 O PHE P 33 -2.401 1.135 8.995 1.00 1.00 O ATOM 538 CB PHE P 33 -4.720 2.430 11.085 1.00 1.00 C ATOM 539 CG PHE P 33 -4.728 3.318 9.859 1.00 1.00 C ATOM 540 CD1 PHE P 33 -5.628 3.063 8.815 1.00 1.00 C ATOM 541 CD2 PHE P 33 -3.836 4.395 9.763 1.00 1.00 C ATOM 542 CE1 PHE P 33 -5.636 3.881 7.679 1.00 1.00 C ATOM 543 CE2 PHE P 33 -3.845 5.214 8.626 1.00 1.00 C ATOM 544 CZ PHE P 33 -4.743 4.957 7.586 1.00 1.00 C ATOM 0 H PHE P 33 -4.263 0.706 12.794 1.00 1.00 H new ATOM 0 HA PHE P 33 -4.637 0.580 9.989 1.00 2.64 H new ATOM 0 HB2 PHE P 33 -5.740 2.255 11.428 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -4.189 2.921 11.900 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -6.316 2.234 8.887 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -3.141 4.594 10.566 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -6.330 3.683 6.875 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -3.158 6.044 8.553 1.00 1.00 H new ATOM 0 HZ PHE P 33 -4.749 5.588 6.710 1.00 1.00 H new ATOM 554 N ILE P 34 -1.748 1.811 11.030 1.00 1.00 N ATOM 555 CA ILE P 34 -0.386 2.090 10.597 1.00 2.58 C ATOM 556 C ILE P 34 0.295 0.810 10.116 1.00 1.00 C ATOM 557 O ILE P 34 0.943 0.805 9.073 1.00 1.00 O ATOM 558 CB ILE P 34 0.422 2.719 11.742 1.00 1.00 C ATOM 559 CG1 ILE P 34 -0.135 4.115 12.055 1.00 1.00 C ATOM 560 CG2 ILE P 34 1.897 2.844 11.331 1.00 1.00 C ATOM 561 CD1 ILE P 34 0.422 4.596 13.394 1.00 1.00 C ATOM 0 H ILE P 34 -1.931 1.998 12.016 1.00 1.00 H new ATOM 0 HA ILE P 34 -0.428 2.796 9.768 1.00 2.58 H new ATOM 0 HB ILE P 34 0.344 2.085 12.625 1.00 1.00 H new ATOM 0 HG12 ILE P 34 0.138 4.813 11.264 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -1.224 4.084 12.092 1.00 1.00 H new ATOM 0 HG21 ILE P 34 2.465 3.291 12.147 1.00 1.00 H new ATOM 0 HG22 ILE P 34 2.298 1.855 11.108 1.00 1.00 H new ATOM 0 HG23 ILE P 34 1.976 3.475 10.446 1.00 1.00 H new ATOM 0 HD11 ILE P 34 0.027 5.587 13.617 1.00 1.00 H new ATOM 0 HD12 ILE P 34 0.127 3.902 14.181 1.00 1.00 H new ATOM 0 HD13 ILE P 34 1.510 4.642 13.340 1.00 1.00 H new ATOM 573 N ASN P 35 0.154 -0.275 10.867 1.00 1.00 N ATOM 574 CA ASN P 35 0.776 -1.527 10.469 1.00 2.89 C ATOM 575 C ASN P 35 0.114 -2.054 9.216 1.00 1.00 C ATOM 576 O ASN P 35 0.781 -2.413 8.245 1.00 1.00 O ATOM 577 CB ASN P 35 0.665 -2.565 11.589 1.00 1.00 C ATOM 578 CG ASN P 35 1.411 -3.835 11.203 1.00 1.00 C ATOM 579 OD1 ASN P 35 2.361 -3.788 10.419 1.00 1.00 O ATOM 580 ND2 ASN P 35 1.037 -4.977 11.713 1.00 1.00 N ATOM 0 H ASN P 35 -0.375 -0.313 11.738 1.00 1.00 H new ATOM 0 HA ASN P 35 1.832 -1.341 10.270 1.00 2.89 H new ATOM 0 HB2 ASN P 35 1.076 -2.159 12.513 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.383 -2.794 11.780 1.00 1.00 H new ATOM 0 HD21 ASN P 35 1.531 -5.833 11.463 1.00 1.00 H new ATOM 0 HD22 ASN P 35 0.251 -5.013 12.362 1.00 1.00 H new ATOM 587 N PHE P 36 -1.204 -2.108 9.245 1.00 1.00 N ATOM 588 CA PHE P 36 -1.952 -2.608 8.099 1.00 2.98 C ATOM 589 C PHE P 36 -1.845 -1.691 6.885 1.00 1.00 C ATOM 590 O PHE P 36 -1.834 -2.159 5.742 1.00 1.00 O ATOM 591 CB PHE P 36 -3.422 -2.808 8.473 1.00 1.00 C ATOM 592 CG PHE P 36 -4.135 -3.584 7.385 1.00 1.00 C ATOM 593 CD1 PHE P 36 -3.819 -4.935 7.166 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.114 -2.961 6.597 1.00 1.00 C ATOM 595 CE1 PHE P 36 -4.479 -5.655 6.163 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.772 -3.685 5.595 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.454 -5.031 5.378 1.00 1.00 C ATOM 0 H PHE P 36 -1.776 -1.817 10.037 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.508 -3.565 7.823 1.00 2.98 H new ATOM 0 HB2 PHE P 36 -3.495 -3.343 9.420 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -3.904 -1.841 8.616 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -3.067 -5.418 7.772 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.360 -1.923 6.763 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -4.235 -6.694 5.995 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.526 -3.204 4.989 1.00 1.00 H new ATOM 0 HZ PHE P 36 -5.962 -5.588 4.604 1.00 1.00 H new ATOM 607 N ALA P 37 -1.756 -0.391 7.126 1.00 1.00 N ATOM 608 CA ALA P 37 -1.642 0.566 6.034 1.00 1.76 C ATOM 609 C ALA P 37 -0.236 0.543 5.449 1.00 1.00 C ATOM 610 O ALA P 37 -0.052 0.719 4.258 1.00 1.00 O ATOM 611 CB ALA P 37 -1.964 1.982 6.515 1.00 1.00 C ATOM 0 H ALA P 37 -1.760 0.023 8.058 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.359 0.279 5.265 1.00 1.76 H new ATOM 0 HB1 ALA P 37 -1.872 2.679 5.682 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -2.982 2.012 6.902 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.267 2.266 7.304 1.00 1.00 H new ATOM 617 N LEU P 38 0.752 0.326 6.299 1.00 1.00 N ATOM 618 CA LEU P 38 2.135 0.286 5.834 1.00 1.96 C ATOM 619 C LEU P 38 2.357 -0.894 4.888 1.00 1.00 C ATOM 620 O LEU P 38 3.090 -0.778 3.906 1.00 1.00 O ATOM 621 CB LEU P 38 3.115 0.212 7.020 1.00 1.00 C ATOM 622 CG LEU P 38 3.335 1.606 7.647 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.985 1.442 9.024 1.00 1.00 C ATOM 624 CD2 LEU P 38 4.257 2.474 6.752 1.00 1.00 C ATOM 0 H LEU P 38 0.630 0.176 7.301 1.00 1.00 H new ATOM 0 HA LEU P 38 2.328 1.209 5.287 1.00 1.96 H new ATOM 0 HB2 LEU P 38 2.727 -0.472 7.774 1.00 1.00 H new ATOM 0 HB3 LEU P 38 4.069 -0.193 6.683 1.00 1.00 H new ATOM 0 HG LEU P 38 2.369 2.102 7.740 1.00 1.00 H new ATOM 0 HD11 LEU P 38 4.143 2.423 9.471 1.00 1.00 H new ATOM 0 HD12 LEU P 38 3.332 0.851 9.666 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.944 0.935 8.916 1.00 1.00 H new ATOM 0 HD21 LEU P 38 4.397 3.451 7.214 1.00 1.00 H new ATOM 0 HD22 LEU P 38 5.224 1.983 6.641 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.799 2.599 5.771 1.00 1.00 H new ATOM 636 N ILE P 39 1.720 -2.022 5.174 1.00 1.00 N ATOM 637 CA ILE P 39 1.874 -3.186 4.311 1.00 3.42 C ATOM 638 C ILE P 39 1.253 -2.877 2.948 1.00 1.00 C ATOM 639 O ILE P 39 1.831 -3.177 1.905 1.00 1.00 O ATOM 640 CB ILE P 39 1.189 -4.417 4.929 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.910 -4.852 6.224 1.00 1.00 C ATOM 642 CG2 ILE P 39 1.184 -5.579 3.929 1.00 1.00 C ATOM 643 CD1 ILE P 39 3.399 -5.159 5.973 1.00 1.00 C ATOM 0 H ILE P 39 1.106 -2.156 5.977 1.00 1.00 H new ATOM 0 HA ILE P 39 2.935 -3.408 4.197 1.00 3.42 H new ATOM 0 HB ILE P 39 0.162 -4.146 5.173 1.00 1.00 H new ATOM 0 HG12 ILE P 39 1.822 -4.064 6.972 1.00 1.00 H new ATOM 0 HG13 ILE P 39 1.420 -5.736 6.634 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.696 -6.444 4.379 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.642 -5.283 3.031 1.00 1.00 H new ATOM 0 HG23 ILE P 39 2.210 -5.837 3.666 1.00 1.00 H new ATOM 0 HD11 ILE P 39 3.871 -5.461 6.908 1.00 1.00 H new ATOM 0 HD12 ILE P 39 3.487 -5.965 5.245 1.00 1.00 H new ATOM 0 HD13 ILE P 39 3.894 -4.268 5.588 1.00 1.00 H new ATOM 655 N LEU P 40 0.065 -2.272 2.977 1.00 1.00 N ATOM 656 CA LEU P 40 -0.630 -1.925 1.741 1.00 2.91 C ATOM 657 C LEU P 40 0.058 -0.751 1.039 1.00 1.00 C ATOM 658 O LEU P 40 0.346 -0.812 -0.154 1.00 1.00 O ATOM 659 CB LEU P 40 -2.084 -1.563 2.043 1.00 1.00 C ATOM 660 CG LEU P 40 -2.845 -2.796 2.555 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.213 -2.353 3.087 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.042 -3.830 1.416 1.00 1.00 C ATOM 0 H LEU P 40 -0.429 -2.016 3.832 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.601 -2.790 1.079 1.00 2.91 H new ATOM 0 HB2 LEU P 40 -2.121 -0.769 2.789 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.565 -1.178 1.143 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.266 -3.265 3.351 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -4.760 -3.222 3.453 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -4.074 -1.643 3.902 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -4.779 -1.879 2.285 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -3.583 -4.695 1.800 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.613 -3.375 0.606 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.069 -4.147 1.041 1.00 1.00 H new ATOM 674 N ILE P 41 0.312 0.315 1.787 1.00 1.00 N ATOM 675 CA ILE P 41 0.953 1.487 1.224 1.00 1.68 C ATOM 676 C ILE P 41 2.357 1.147 0.721 1.00 1.00 C ATOM 677 O ILE P 41 2.725 1.529 -0.387 1.00 1.00 O ATOM 678 CB ILE P 41 0.991 2.605 2.277 1.00 1.00 C ATOM 679 CG1 ILE P 41 -0.441 3.132 2.549 1.00 1.00 C ATOM 680 CG2 ILE P 41 1.889 3.743 1.809 1.00 1.00 C ATOM 681 CD1 ILE P 41 -1.095 3.737 1.288 1.00 1.00 C ATOM 0 H ILE P 41 0.084 0.389 2.778 1.00 1.00 H new ATOM 0 HA ILE P 41 0.377 1.836 0.367 1.00 1.68 H new ATOM 0 HB ILE P 41 1.398 2.198 3.203 1.00 1.00 H new ATOM 0 HG12 ILE P 41 -1.061 2.316 2.921 1.00 1.00 H new ATOM 0 HG13 ILE P 41 -0.404 3.887 3.334 1.00 1.00 H new ATOM 0 HG21 ILE P 41 1.906 4.528 2.565 1.00 1.00 H new ATOM 0 HG22 ILE P 41 2.900 3.368 1.653 1.00 1.00 H new ATOM 0 HG23 ILE P 41 1.504 4.149 0.874 1.00 1.00 H new ATOM 0 HD11 ILE P 41 -2.096 4.091 1.532 1.00 1.00 H new ATOM 0 HD12 ILE P 41 -0.492 4.571 0.930 1.00 1.00 H new ATOM 0 HD13 ILE P 41 -1.159 2.976 0.510 1.00 1.00 H new ATOM 693 N PHE P 42 3.143 0.440 1.521 1.00 1.00 N ATOM 694 CA PHE P 42 4.493 0.089 1.095 1.00 2.42 C ATOM 695 C PHE P 42 4.459 -0.727 -0.199 1.00 1.00 C ATOM 696 O PHE P 42 5.192 -0.438 -1.146 1.00 1.00 O ATOM 697 CB PHE P 42 5.191 -0.722 2.185 1.00 1.00 C ATOM 698 CG PHE P 42 6.603 -1.027 1.753 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.591 -0.042 1.866 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.928 -2.288 1.237 1.00 1.00 C ATOM 701 CE1 PHE P 42 8.903 -0.316 1.465 1.00 1.00 C ATOM 702 CE2 PHE P 42 8.239 -2.563 0.836 1.00 1.00 C ATOM 703 CZ PHE P 42 9.227 -1.576 0.949 1.00 1.00 C ATOM 0 H PHE P 42 2.879 0.104 2.447 1.00 1.00 H new ATOM 0 HA PHE P 42 5.043 1.013 0.916 1.00 2.42 H new ATOM 0 HB2 PHE P 42 5.198 -0.164 3.121 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.647 -1.648 2.370 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.340 0.931 2.263 1.00 1.00 H new ATOM 0 HD2 PHE P 42 6.166 -3.048 1.149 1.00 1.00 H new ATOM 0 HE1 PHE P 42 9.665 0.444 1.554 1.00 1.00 H new ATOM 0 HE2 PHE P 42 8.490 -3.536 0.439 1.00 1.00 H new ATOM 0 HZ PHE P 42 10.239 -1.788 0.638 1.00 1.00 H new ATOM 713 N LEU P 43 3.600 -1.744 -0.229 1.00 1.00 N ATOM 714 CA LEU P 43 3.472 -2.599 -1.408 1.00 2.71 C ATOM 715 C LEU P 43 2.920 -1.807 -2.596 1.00 1.00 C ATOM 716 O LEU P 43 3.397 -1.932 -3.727 1.00 1.00 O ATOM 717 CB LEU P 43 2.542 -3.782 -1.103 1.00 1.00 C ATOM 718 CG LEU P 43 3.212 -4.762 -0.120 1.00 1.00 C ATOM 719 CD1 LEU P 43 2.160 -5.758 0.381 1.00 1.00 C ATOM 720 CD2 LEU P 43 4.371 -5.530 -0.807 1.00 1.00 C ATOM 0 H LEU P 43 2.985 -1.996 0.545 1.00 1.00 H new ATOM 0 HA LEU P 43 4.463 -2.973 -1.666 1.00 2.71 H new ATOM 0 HB2 LEU P 43 1.607 -3.416 -0.679 1.00 1.00 H new ATOM 0 HB3 LEU P 43 2.291 -4.301 -2.028 1.00 1.00 H new ATOM 0 HG LEU P 43 3.626 -4.198 0.716 1.00 1.00 H new ATOM 0 HD11 LEU P 43 2.623 -6.457 1.078 1.00 1.00 H new ATOM 0 HD12 LEU P 43 1.360 -5.218 0.887 1.00 1.00 H new ATOM 0 HD13 LEU P 43 1.748 -6.308 -0.465 1.00 1.00 H new ATOM 0 HD21 LEU P 43 4.827 -6.215 -0.093 1.00 1.00 H new ATOM 0 HD22 LEU P 43 3.981 -6.095 -1.654 1.00 1.00 H new ATOM 0 HD23 LEU P 43 5.120 -4.820 -1.158 1.00 1.00 H new ATOM 732 N LEU P 44 1.910 -0.987 -2.334 1.00 1.00 N ATOM 733 CA LEU P 44 1.300 -0.178 -3.381 1.00 2.20 C ATOM 734 C LEU P 44 2.264 0.895 -3.887 1.00 1.00 C ATOM 735 O LEU P 44 2.294 1.191 -5.075 1.00 1.00 O ATOM 736 CB LEU P 44 0.020 0.482 -2.863 1.00 1.00 C ATOM 737 CG LEU P 44 -1.096 -0.565 -2.674 1.00 1.00 C ATOM 738 CD1 LEU P 44 -2.203 0.041 -1.808 1.00 1.00 C ATOM 739 CD2 LEU P 44 -1.695 -0.994 -4.039 1.00 1.00 C ATOM 0 H LEU P 44 1.497 -0.865 -1.409 1.00 1.00 H new ATOM 0 HA LEU P 44 1.056 -0.840 -4.212 1.00 2.20 H new ATOM 0 HB2 LEU P 44 0.221 0.982 -1.915 1.00 1.00 H new ATOM 0 HB3 LEU P 44 -0.309 1.249 -3.564 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.671 -1.445 -2.192 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.998 -0.692 -1.668 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -1.793 0.322 -0.838 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -2.607 0.925 -2.301 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -2.480 -1.733 -3.876 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -2.116 -0.123 -4.542 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.911 -1.428 -4.660 1.00 1.00 H new ATOM 751 N LEU P 45 3.048 1.485 -2.984 1.00 1.00 N ATOM 752 CA LEU P 45 3.994 2.531 -3.388 1.00 2.57 C ATOM 753 C LEU P 45 5.056 2.005 -4.351 1.00 1.00 C ATOM 754 O LEU P 45 5.405 2.681 -5.313 1.00 1.00 O ATOM 755 CB LEU P 45 4.673 3.159 -2.154 1.00 1.00 C ATOM 756 CG LEU P 45 3.744 4.182 -1.469 1.00 1.00 C ATOM 757 CD1 LEU P 45 4.374 4.609 -0.135 1.00 1.00 C ATOM 758 CD2 LEU P 45 3.540 5.434 -2.371 1.00 1.00 C ATOM 0 H LEU P 45 3.050 1.264 -1.988 1.00 1.00 H new ATOM 0 HA LEU P 45 3.418 3.294 -3.910 1.00 2.57 H new ATOM 0 HB2 LEU P 45 4.942 2.376 -1.445 1.00 1.00 H new ATOM 0 HB3 LEU P 45 5.599 3.649 -2.455 1.00 1.00 H new ATOM 0 HG LEU P 45 2.772 3.720 -1.298 1.00 1.00 H new ATOM 0 HD11 LEU P 45 3.725 5.333 0.359 1.00 1.00 H new ATOM 0 HD12 LEU P 45 4.497 3.736 0.506 1.00 1.00 H new ATOM 0 HD13 LEU P 45 5.348 5.062 -0.321 1.00 1.00 H new ATOM 0 HD21 LEU P 45 2.881 6.142 -1.868 1.00 1.00 H new ATOM 0 HD22 LEU P 45 4.504 5.907 -2.561 1.00 1.00 H new ATOM 0 HD23 LEU P 45 3.092 5.131 -3.317 1.00 1.00 H new ATOM 770 N ILE P 46 5.566 0.813 -4.110 1.00 1.00 N ATOM 771 CA ILE P 46 6.578 0.270 -5.006 1.00 2.34 C ATOM 772 C ILE P 46 5.952 -0.042 -6.361 1.00 1.00 C ATOM 773 O ILE P 46 6.600 0.065 -7.399 1.00 1.00 O ATOM 774 CB ILE P 46 7.230 -0.977 -4.401 1.00 1.00 C ATOM 775 CG1 ILE P 46 8.197 -1.591 -5.413 1.00 1.00 C ATOM 776 CG2 ILE P 46 6.166 -1.999 -4.018 1.00 1.00 C ATOM 777 CD1 ILE P 46 9.060 -2.649 -4.722 1.00 1.00 C ATOM 0 H ILE P 46 5.309 0.214 -3.326 1.00 1.00 H new ATOM 0 HA ILE P 46 7.362 1.015 -5.146 1.00 2.34 H new ATOM 0 HB ILE P 46 7.777 -0.689 -3.503 1.00 1.00 H new ATOM 0 HG12 ILE P 46 7.641 -2.041 -6.235 1.00 1.00 H new ATOM 0 HG13 ILE P 46 8.830 -0.815 -5.843 1.00 1.00 H new ATOM 0 HG21 ILE P 46 6.645 -2.880 -3.590 1.00 1.00 H new ATOM 0 HG22 ILE P 46 5.488 -1.561 -3.285 1.00 1.00 H new ATOM 0 HG23 ILE P 46 5.603 -2.288 -4.905 1.00 1.00 H new ATOM 0 HD11 ILE P 46 9.749 -3.086 -5.445 1.00 1.00 H new ATOM 0 HD12 ILE P 46 9.627 -2.185 -3.915 1.00 1.00 H new ATOM 0 HD13 ILE P 46 8.420 -3.431 -4.313 1.00 1.00 H new ATOM 789 N ALA P 47 4.682 -0.431 -6.341 1.00 1.00 N ATOM 790 CA ALA P 47 3.975 -0.756 -7.571 1.00 1.64 C ATOM 791 C ALA P 47 3.530 0.507 -8.323 1.00 1.00 C ATOM 792 O ALA P 47 3.791 0.647 -9.518 1.00 1.00 O ATOM 793 CB ALA P 47 2.748 -1.615 -7.251 1.00 1.00 C ATOM 0 H ALA P 47 4.125 -0.528 -5.492 1.00 1.00 H new ATOM 0 HA ALA P 47 4.663 -1.307 -8.212 1.00 1.64 H new ATOM 0 HB1 ALA P 47 2.222 -1.856 -8.175 1.00 1.00 H new ATOM 0 HB2 ALA P 47 3.066 -2.537 -6.764 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.082 -1.065 -6.587 1.00 1.00 H new ATOM 799 N ILE P 48 2.852 1.418 -7.624 1.00 1.00 N ATOM 800 CA ILE P 48 2.372 2.656 -8.250 1.00 3.99 C ATOM 801 C ILE P 48 3.519 3.557 -8.728 1.00 1.00 C ATOM 802 O ILE P 48 3.478 4.069 -9.845 1.00 1.00 O ATOM 803 CB ILE P 48 1.490 3.426 -7.253 1.00 1.00 C ATOM 804 CG1 ILE P 48 0.205 2.623 -6.938 1.00 1.00 C ATOM 805 CG2 ILE P 48 1.116 4.806 -7.814 1.00 1.00 C ATOM 806 CD1 ILE P 48 -0.641 2.354 -8.196 1.00 1.00 C ATOM 0 H ILE P 48 2.623 1.326 -6.634 1.00 1.00 H new ATOM 0 HA ILE P 48 1.794 2.374 -9.130 1.00 3.99 H new ATOM 0 HB ILE P 48 2.058 3.564 -6.333 1.00 1.00 H new ATOM 0 HG12 ILE P 48 0.477 1.674 -6.476 1.00 1.00 H new ATOM 0 HG13 ILE P 48 -0.394 3.171 -6.211 1.00 1.00 H new ATOM 0 HG21 ILE P 48 0.492 5.335 -7.094 1.00 1.00 H new ATOM 0 HG22 ILE P 48 2.023 5.381 -8.000 1.00 1.00 H new ATOM 0 HG23 ILE P 48 0.567 4.683 -8.748 1.00 1.00 H new ATOM 0 HD11 ILE P 48 -1.531 1.788 -7.922 1.00 1.00 H new ATOM 0 HD12 ILE P 48 -0.938 3.302 -8.644 1.00 1.00 H new ATOM 0 HD13 ILE P 48 -0.054 1.781 -8.914 1.00 1.00 H new ATOM 818 N ILE P 49 4.532 3.754 -7.891 1.00 1.00 N ATOM 819 CA ILE P 49 5.660 4.605 -8.275 1.00 1.00 C ATOM 820 C ILE P 49 6.398 4.008 -9.464 1.00 1.00 C ATOM 821 O ILE P 49 6.742 4.714 -10.411 1.00 1.00 O ATOM 822 CB ILE P 49 6.626 4.761 -7.098 1.00 1.00 C ATOM 823 CG1 ILE P 49 5.956 5.539 -5.940 1.00 1.00 C ATOM 824 CG2 ILE P 49 7.903 5.491 -7.542 1.00 1.00 C ATOM 825 CD1 ILE P 49 5.492 6.941 -6.381 1.00 1.00 C ATOM 0 H ILE P 49 4.599 3.346 -6.959 1.00 1.00 H new ATOM 0 HA ILE P 49 5.272 5.584 -8.555 1.00 1.00 H new ATOM 0 HB ILE P 49 6.891 3.764 -6.746 1.00 1.00 H new ATOM 0 HG12 ILE P 49 5.101 4.973 -5.570 1.00 1.00 H new ATOM 0 HG13 ILE P 49 6.658 5.633 -5.112 1.00 1.00 H new ATOM 0 HG21 ILE P 49 8.578 5.593 -6.692 1.00 1.00 H new ATOM 0 HG22 ILE P 49 8.394 4.919 -8.329 1.00 1.00 H new ATOM 0 HG23 ILE P 49 7.644 6.480 -7.920 1.00 1.00 H new ATOM 0 HD11 ILE P 49 5.027 7.452 -5.538 1.00 1.00 H new ATOM 0 HD12 ILE P 49 6.351 7.517 -6.726 1.00 1.00 H new ATOM 0 HD13 ILE P 49 4.769 6.847 -7.191 1.00 1.00 H new ATOM 837 N VAL P 50 6.637 2.711 -9.408 1.00 1.00 N ATOM 838 CA VAL P 50 7.333 2.041 -10.493 1.00 1.00 C ATOM 839 C VAL P 50 6.506 2.166 -11.759 1.00 1.00 C ATOM 840 O VAL P 50 7.030 2.469 -12.830 1.00 1.00 O ATOM 841 CB VAL P 50 7.567 0.565 -10.143 1.00 1.00 C ATOM 842 CG1 VAL P 50 8.071 -0.195 -11.378 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.620 0.471 -9.026 1.00 1.00 C ATOM 0 H VAL P 50 6.364 2.106 -8.634 1.00 1.00 H new ATOM 0 HA VAL P 50 8.306 2.507 -10.650 1.00 1.00 H new ATOM 0 HB VAL P 50 6.628 0.123 -9.809 1.00 1.00 H new ATOM 0 HG11 VAL P 50 8.234 -1.241 -11.120 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.329 -0.129 -12.174 1.00 1.00 H new ATOM 0 HG13 VAL P 50 9.008 0.245 -11.719 1.00 1.00 H new ATOM 0 HG21 VAL P 50 8.790 -0.576 -8.773 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.554 0.918 -9.367 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.264 1.004 -8.144 1.00 1.00 H new ATOM 853 N MET P 51 5.204 1.934 -11.627 1.00 1.00 N ATOM 854 CA MET P 51 4.298 2.024 -12.758 1.00 1.00 C ATOM 855 C MET P 51 4.225 3.462 -13.276 1.00 1.00 C ATOM 856 O MET P 51 4.028 3.676 -14.472 1.00 1.00 O ATOM 857 CB MET P 51 2.895 1.552 -12.343 1.00 1.00 C ATOM 858 CG MET P 51 2.850 0.020 -12.271 1.00 1.00 C ATOM 859 SD MET P 51 2.998 -0.679 -13.943 1.00 1.00 S ATOM 860 CE MET P 51 4.593 -1.517 -13.742 1.00 1.00 C ATOM 0 H MET P 51 4.756 1.682 -10.746 1.00 1.00 H new ATOM 0 HA MET P 51 4.675 1.384 -13.555 1.00 1.00 H new ATOM 0 HB2 MET P 51 2.633 1.977 -11.374 1.00 1.00 H new ATOM 0 HB3 MET P 51 2.156 1.911 -13.059 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.659 -0.348 -11.640 1.00 1.00 H new ATOM 0 HG3 MET P 51 1.916 -0.305 -11.812 1.00 1.00 H new ATOM 0 HE1 MET P 51 4.990 -1.783 -14.722 1.00 1.00 H new ATOM 0 HE2 MET P 51 5.292 -0.852 -13.235 1.00 1.00 H new ATOM 0 HE3 MET P 51 4.457 -2.421 -13.149 1.00 1.00 H new ATOM 870 N LEU P 52 4.376 4.452 -12.390 1.00 1.00 N ATOM 871 CA LEU P 52 4.309 5.842 -12.839 1.00 1.00 C ATOM 872 C LEU P 52 5.408 6.128 -13.856 1.00 1.00 C ATOM 873 O LEU P 52 5.180 6.841 -14.834 1.00 1.00 O ATOM 874 CB LEU P 52 4.398 6.817 -11.642 1.00 1.00 C ATOM 875 CG LEU P 52 3.011 6.997 -10.978 1.00 1.00 C ATOM 876 CD1 LEU P 52 3.179 7.723 -9.631 1.00 1.00 C ATOM 877 CD2 LEU P 52 2.064 7.816 -11.902 1.00 1.00 C ATOM 0 H LEU P 52 4.540 4.323 -11.392 1.00 1.00 H new ATOM 0 HA LEU P 52 3.345 5.997 -13.323 1.00 1.00 H new ATOM 0 HB2 LEU P 52 5.111 6.437 -10.910 1.00 1.00 H new ATOM 0 HB3 LEU P 52 4.773 7.783 -11.981 1.00 1.00 H new ATOM 0 HG LEU P 52 2.569 6.014 -10.813 1.00 1.00 H new ATOM 0 HD11 LEU P 52 2.203 7.851 -9.162 1.00 1.00 H new ATOM 0 HD12 LEU P 52 3.821 7.133 -8.977 1.00 1.00 H new ATOM 0 HD13 LEU P 52 3.632 8.700 -9.798 1.00 1.00 H new ATOM 0 HD21 LEU P 52 1.094 7.932 -11.418 1.00 1.00 H new ATOM 0 HD22 LEU P 52 2.497 8.799 -12.087 1.00 1.00 H new ATOM 0 HD23 LEU P 52 1.937 7.292 -12.849 1.00 1.00 H new ATOM 889 N LEU P 53 6.591 5.581 -13.634 1.00 1.00 N ATOM 890 CA LEU P 53 7.696 5.804 -14.558 1.00 1.00 C ATOM 891 C LEU P 53 7.318 5.332 -15.958 1.00 1.00 C ATOM 892 O LEU P 53 6.955 4.174 -16.092 1.00 1.00 O ATOM 893 CB LEU P 53 8.942 5.051 -14.087 1.00 1.00 C ATOM 894 CG LEU P 53 9.267 5.423 -12.635 1.00 1.00 C ATOM 895 CD1 LEU P 53 10.491 4.626 -12.177 1.00 1.00 C ATOM 896 CD2 LEU P 53 9.563 6.934 -12.527 1.00 1.00 C ATOM 897 OXT LEU P 53 7.396 6.132 -16.873 1.00 1.00 O ATOM 0 H LEU P 53 6.812 4.987 -12.835 1.00 1.00 H new ATOM 0 HA LEU P 53 7.911 6.872 -14.585 1.00 1.00 H new ATOM 0 HB2 LEU P 53 8.779 3.976 -14.167 1.00 1.00 H new ATOM 0 HB3 LEU P 53 9.788 5.294 -14.730 1.00 1.00 H new ATOM 0 HG LEU P 53 8.412 5.186 -12.002 1.00 1.00 H new ATOM 0 HD11 LEU P 53 10.729 4.885 -11.145 1.00 1.00 H new ATOM 0 HD12 LEU P 53 10.276 3.559 -12.243 1.00 1.00 H new ATOM 0 HD13 LEU P 53 11.341 4.865 -12.816 1.00 1.00 H new ATOM 0 HD21 LEU P 53 9.792 7.187 -11.492 1.00 1.00 H new ATOM 0 HD22 LEU P 53 10.415 7.184 -13.159 1.00 1.00 H new ATOM 0 HD23 LEU P 53 8.691 7.500 -12.854 1.00 1.00 H new TER 909 LEU P 53