USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=7 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+ 180:sc= -0.176 (180deg=-0.176) USER MOD Single : P 2 MET CE :methyl 141:sc= -0.147 (180deg=-1.15) USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.21) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 73:sc= 0.811 USER MOD Single : P 11 SER OG : rot -10:sc= 0.414 USER MOD Single : P 17 SER OG : rot 70:sc= 0.15 USER MOD Single : P 18 THR OG1 : rot -62:sc= 1.13 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 X(o=0,f=-0.0044) USER MOD Single : P 27 GLN : amide:sc=-0.00442 K(o=-0.0044,f=-1.9!) USER MOD Single : P 28 ASN : amide:sc= -0.836 K(o=-0.84,f=-0.074) USER MOD Single : P 30 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.41) USER MOD Single : P 31 ASN : amide:sc= -1.75! C(o=-1.8!,f=-3.6!) USER MOD Single : P 35 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : P 51 MET CE :methyl -168:sc= 0 (180deg=-0.0248) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 -4.920 32.212 6.843 1.00 1.00 N ATOM 2 CA ALA P 1 -5.570 33.538 7.026 1.00 1.00 C ATOM 3 C ALA P 1 -6.044 33.683 8.466 1.00 1.00 C ATOM 4 O ALA P 1 -6.589 34.716 8.846 1.00 1.00 O ATOM 5 CB ALA P 1 -6.762 33.651 6.076 1.00 1.00 C ATOM 0 H1 ALA P 1 -4.598 32.116 5.859 1.00 1.00 H new ATOM 0 H2 ALA P 1 -4.105 32.134 7.484 1.00 1.00 H new ATOM 0 H3 ALA P 1 -5.603 31.458 7.058 1.00 1.00 H new ATOM 0 HA ALA P 1 -4.853 34.329 6.806 1.00 1.00 H new ATOM 0 HB1 ALA P 1 -7.241 34.621 6.207 1.00 1.00 H new ATOM 0 HB2 ALA P 1 -6.417 33.553 5.047 1.00 1.00 H new ATOM 0 HB3 ALA P 1 -7.479 32.860 6.296 1.00 1.00 H new ATOM 13 N MET P 2 -5.831 32.634 9.269 1.00 1.00 N ATOM 14 CA MET P 2 -6.236 32.634 10.683 1.00 1.00 C ATOM 15 C MET P 2 -5.057 32.242 11.567 1.00 1.00 C ATOM 16 O MET P 2 -4.179 31.490 11.153 1.00 1.00 O ATOM 17 CB MET P 2 -7.386 31.649 10.889 1.00 1.00 C ATOM 18 CG MET P 2 -8.647 32.171 10.197 1.00 1.00 C ATOM 19 SD MET P 2 -9.970 30.933 10.324 1.00 1.00 S ATOM 20 CE MET P 2 -10.172 30.979 12.119 1.00 1.00 C ATOM 0 H MET P 2 -5.380 31.772 8.964 1.00 1.00 H new ATOM 0 HA MET P 2 -6.565 33.636 10.957 1.00 1.00 H new ATOM 0 HB2 MET P 2 -7.117 30.673 10.486 1.00 1.00 H new ATOM 0 HB3 MET P 2 -7.574 31.514 11.954 1.00 1.00 H new ATOM 0 HG2 MET P 2 -8.965 33.106 10.657 1.00 1.00 H new ATOM 0 HG3 MET P 2 -8.436 32.386 9.149 1.00 1.00 H new ATOM 0 HE1 MET P 2 -11.230 30.903 12.368 1.00 1.00 H new ATOM 0 HE2 MET P 2 -9.633 30.144 12.567 1.00 1.00 H new ATOM 0 HE3 MET P 2 -9.774 31.917 12.506 1.00 1.00 H new ATOM 30 N GLU P 3 -5.043 32.760 12.790 1.00 1.00 N ATOM 31 CA GLU P 3 -3.965 32.463 13.729 1.00 1.00 C ATOM 32 C GLU P 3 -3.975 30.990 14.133 1.00 1.00 C ATOM 33 O GLU P 3 -2.922 30.388 14.339 1.00 1.00 O ATOM 34 CB GLU P 3 -4.108 33.339 14.974 1.00 1.00 C ATOM 35 CG GLU P 3 -5.434 33.032 15.672 1.00 1.00 C ATOM 36 CD GLU P 3 -5.624 33.968 16.855 1.00 1.00 C ATOM 37 OE1 GLU P 3 -4.630 34.339 17.458 1.00 1.00 O ATOM 38 OE2 GLU P 3 -6.762 34.304 17.147 1.00 1.00 O ATOM 0 H GLU P 3 -5.762 33.385 13.154 1.00 1.00 H new ATOM 0 HA GLU P 3 -3.016 32.676 13.236 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -3.277 33.157 15.655 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -4.068 34.392 14.696 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -6.260 33.147 14.970 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -5.445 31.996 16.011 1.00 1.00 H new ATOM 45 N LYS P 4 -5.164 30.419 14.244 1.00 1.00 N ATOM 46 CA LYS P 4 -5.297 29.017 14.628 1.00 1.00 C ATOM 47 C LYS P 4 -4.527 28.113 13.671 1.00 1.00 C ATOM 48 O LYS P 4 -4.240 26.957 13.985 1.00 1.00 O ATOM 49 CB LYS P 4 -6.774 28.617 14.630 1.00 1.00 C ATOM 50 CG LYS P 4 -7.500 29.357 15.752 1.00 1.00 C ATOM 51 CD LYS P 4 -8.988 28.986 15.745 1.00 1.00 C ATOM 52 CE LYS P 4 -9.707 29.729 16.874 1.00 1.00 C ATOM 53 NZ LYS P 4 -11.151 29.369 16.859 1.00 1.00 N ATOM 0 H LYS P 4 -6.048 30.899 14.075 1.00 1.00 H new ATOM 0 HA LYS P 4 -4.882 28.897 15.629 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -7.228 28.857 13.668 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -6.870 27.540 14.768 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -7.057 29.101 16.714 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -7.384 30.433 15.624 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -9.433 29.245 14.784 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -9.106 27.910 15.871 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -9.265 29.468 17.836 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -9.588 30.805 16.750 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -11.642 29.872 17.625 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -11.567 29.639 15.945 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -11.255 28.343 16.997 1.00 1.00 H new ATOM 67 N VAL P 5 -4.190 28.644 12.504 1.00 1.00 N ATOM 68 CA VAL P 5 -3.449 27.872 11.514 1.00 1.00 C ATOM 69 C VAL P 5 -2.065 27.518 12.046 1.00 1.00 C ATOM 70 O VAL P 5 -1.608 26.383 11.903 1.00 1.00 O ATOM 71 CB VAL P 5 -3.330 28.662 10.208 1.00 1.00 C ATOM 72 CG1 VAL P 5 -2.416 27.913 9.230 1.00 1.00 C ATOM 73 CG2 VAL P 5 -4.719 28.821 9.588 1.00 1.00 C ATOM 0 H VAL P 5 -4.415 29.598 12.220 1.00 1.00 H new ATOM 0 HA VAL P 5 -3.991 26.948 11.315 1.00 1.00 H new ATOM 0 HB VAL P 5 -2.905 29.644 10.415 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -2.334 28.479 8.302 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -1.427 27.797 9.673 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -2.837 26.930 9.019 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -4.640 29.383 8.657 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -5.141 27.837 9.383 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -5.368 29.356 10.281 1.00 1.00 H new ATOM 83 N GLN P 6 -1.413 28.494 12.658 1.00 1.00 N ATOM 84 CA GLN P 6 -0.076 28.289 13.216 1.00 1.00 C ATOM 85 C GLN P 6 -0.097 27.253 14.332 1.00 1.00 C ATOM 86 O GLN P 6 0.737 26.355 14.370 1.00 1.00 O ATOM 87 CB GLN P 6 0.467 29.614 13.765 1.00 1.00 C ATOM 88 CG GLN P 6 0.626 30.622 12.626 1.00 1.00 C ATOM 89 CD GLN P 6 1.685 30.151 11.628 1.00 1.00 C ATOM 90 OE1 GLN P 6 2.813 29.857 12.009 1.00 1.00 O ATOM 91 NE2 GLN P 6 1.379 30.063 10.362 1.00 1.00 N ATOM 0 H GLN P 6 -1.783 29.436 12.783 1.00 1.00 H new ATOM 0 HA GLN P 6 0.570 27.924 12.417 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -0.211 30.010 14.521 1.00 1.00 H new ATOM 0 HB3 GLN P 6 1.427 29.449 14.253 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -0.328 30.754 12.116 1.00 1.00 H new ATOM 0 HG3 GLN P 6 0.908 31.594 13.031 1.00 1.00 H new ATOM 0 HE21 GLN P 6 0.441 30.308 10.046 1.00 1.00 H new ATOM 0 HE22 GLN P 6 2.078 29.750 9.689 1.00 1.00 H new ATOM 100 N TYR P 7 -1.051 27.389 15.236 1.00 1.00 N ATOM 101 CA TYR P 7 -1.159 26.452 16.352 1.00 1.00 C ATOM 102 C TYR P 7 -1.424 25.037 15.850 1.00 1.00 C ATOM 103 O TYR P 7 -0.705 24.101 16.194 1.00 1.00 O ATOM 104 CB TYR P 7 -2.297 26.891 17.270 1.00 1.00 C ATOM 105 CG TYR P 7 -2.486 25.885 18.385 1.00 1.00 C ATOM 106 CD1 TYR P 7 -1.641 25.901 19.507 1.00 1.00 C ATOM 107 CD2 TYR P 7 -3.508 24.934 18.295 1.00 1.00 C ATOM 108 CE1 TYR P 7 -1.825 24.964 20.535 1.00 1.00 C ATOM 109 CE2 TYR P 7 -3.690 24.002 19.320 1.00 1.00 C ATOM 110 CZ TYR P 7 -2.848 24.015 20.441 1.00 1.00 C ATOM 111 OH TYR P 7 -3.025 23.094 21.454 1.00 1.00 O ATOM 0 H TYR P 7 -1.755 28.127 15.225 1.00 1.00 H new ATOM 0 HA TYR P 7 -0.217 26.451 16.900 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -2.078 27.873 17.689 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -3.219 26.988 16.697 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -0.851 26.634 19.578 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -4.157 24.920 17.432 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -1.177 24.976 21.399 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -4.481 23.270 19.249 1.00 1.00 H new ATOM 0 HH TYR P 7 -3.779 22.507 21.235 1.00 1.00 H new ATOM 121 N LEU P 8 -2.456 24.885 15.036 1.00 1.00 N ATOM 122 CA LEU P 8 -2.790 23.578 14.505 1.00 1.00 C ATOM 123 C LEU P 8 -1.540 22.897 13.939 1.00 1.00 C ATOM 124 O LEU P 8 -1.373 21.690 14.081 1.00 1.00 O ATOM 125 CB LEU P 8 -3.860 23.712 13.420 1.00 1.00 C ATOM 126 CG LEU P 8 -5.219 24.094 14.046 1.00 1.00 C ATOM 127 CD1 LEU P 8 -6.155 24.585 12.937 1.00 1.00 C ATOM 128 CD2 LEU P 8 -5.868 22.876 14.750 1.00 1.00 C ATOM 0 H LEU P 8 -3.069 25.642 14.733 1.00 1.00 H new ATOM 0 HA LEU P 8 -3.183 22.961 15.313 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -3.560 24.470 12.697 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -3.955 22.772 12.876 1.00 1.00 H new ATOM 0 HG LEU P 8 -5.055 24.877 14.787 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -7.118 24.858 13.368 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -5.716 25.456 12.449 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -6.297 23.792 12.203 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -6.824 23.172 15.182 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -6.030 22.079 14.024 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -5.208 22.518 15.540 1.00 1.00 H new ATOM 140 N THR P 9 -0.668 23.670 13.302 1.00 1.00 N ATOM 141 CA THR P 9 0.554 23.105 12.732 1.00 1.00 C ATOM 142 C THR P 9 1.440 22.521 13.831 1.00 1.00 C ATOM 143 O THR P 9 1.955 21.401 13.710 1.00 1.00 O ATOM 144 CB THR P 9 1.328 24.187 11.979 1.00 1.00 C ATOM 145 OG1 THR P 9 0.515 24.694 10.928 1.00 1.00 O ATOM 146 CG2 THR P 9 2.613 23.590 11.391 1.00 1.00 C ATOM 0 H THR P 9 -0.779 24.675 13.167 1.00 1.00 H new ATOM 0 HA THR P 9 0.274 22.309 12.042 1.00 1.00 H new ATOM 0 HB THR P 9 1.590 24.993 12.664 1.00 1.00 H new ATOM 0 HG1 THR P 9 -0.192 25.259 11.305 1.00 1.00 H new ATOM 0 HG21 THR P 9 3.162 24.364 10.855 1.00 1.00 H new ATOM 0 HG22 THR P 9 3.233 23.197 12.196 1.00 1.00 H new ATOM 0 HG23 THR P 9 2.358 22.784 10.703 1.00 1.00 H new ATOM 154 N ARG P 10 1.614 23.272 14.914 1.00 1.00 N ATOM 155 CA ARG P 10 2.437 22.793 16.015 1.00 1.00 C ATOM 156 C ARG P 10 1.830 21.520 16.585 1.00 1.00 C ATOM 157 O ARG P 10 2.526 20.552 16.845 1.00 1.00 O ATOM 158 CB ARG P 10 2.550 23.866 17.105 1.00 1.00 C ATOM 159 CG ARG P 10 3.493 23.390 18.213 1.00 1.00 C ATOM 160 CD ARG P 10 3.715 24.525 19.213 1.00 1.00 C ATOM 161 NE ARG P 10 2.456 24.881 19.839 1.00 1.00 N ATOM 162 CZ ARG P 10 2.373 25.910 20.670 1.00 1.00 C ATOM 163 NH1 ARG P 10 3.436 26.623 20.937 1.00 1.00 N ATOM 164 NH2 ARG P 10 1.229 26.208 21.215 1.00 1.00 N ATOM 0 H ARG P 10 1.205 24.196 15.051 1.00 1.00 H new ATOM 0 HA ARG P 10 3.439 22.577 15.645 1.00 1.00 H new ATOM 0 HB2 ARG P 10 2.922 24.796 16.674 1.00 1.00 H new ATOM 0 HB3 ARG P 10 1.565 24.079 17.521 1.00 1.00 H new ATOM 0 HG2 ARG P 10 3.069 22.523 18.719 1.00 1.00 H new ATOM 0 HG3 ARG P 10 4.445 23.076 17.785 1.00 1.00 H new ATOM 0 HD2 ARG P 10 4.435 24.218 19.972 1.00 1.00 H new ATOM 0 HD3 ARG P 10 4.137 25.392 18.705 1.00 1.00 H new ATOM 0 HE ARG P 10 1.621 24.331 19.636 1.00 1.00 H new ATOM 0 HH11 ARG P 10 4.330 26.387 20.506 1.00 1.00 H new ATOM 0 HH12 ARG P 10 3.371 27.415 21.577 1.00 1.00 H new ATOM 0 HH21 ARG P 10 0.402 25.650 21.002 1.00 1.00 H new ATOM 0 HH22 ARG P 10 1.160 26.999 21.855 1.00 1.00 H new ATOM 178 N SER P 11 0.526 21.529 16.777 1.00 1.00 N ATOM 179 CA SER P 11 -0.152 20.364 17.316 1.00 1.00 C ATOM 180 C SER P 11 -0.119 19.243 16.298 1.00 1.00 C ATOM 181 O SER P 11 -0.165 18.069 16.636 1.00 1.00 O ATOM 182 CB SER P 11 -1.602 20.696 17.644 1.00 1.00 C ATOM 183 OG SER P 11 -2.261 21.128 16.460 1.00 1.00 O ATOM 0 H SER P 11 -0.082 22.322 16.571 1.00 1.00 H new ATOM 0 HA SER P 11 0.358 20.055 18.228 1.00 1.00 H new ATOM 0 HB2 SER P 11 -2.104 19.820 18.055 1.00 1.00 H new ATOM 0 HB3 SER P 11 -1.646 21.476 18.405 1.00 1.00 H new ATOM 0 HG SER P 11 -1.601 21.260 15.748 1.00 1.00 H new ATOM 189 N ALA P 12 -0.037 19.620 15.038 1.00 1.00 N ATOM 190 CA ALA P 12 0.003 18.637 13.980 1.00 1.00 C ATOM 191 C ALA P 12 1.143 17.683 14.254 1.00 1.00 C ATOM 192 O ALA P 12 1.042 16.482 13.991 1.00 1.00 O ATOM 193 CB ALA P 12 0.183 19.294 12.611 1.00 1.00 C ATOM 0 H ALA P 12 0.003 20.590 14.726 1.00 1.00 H new ATOM 0 HA ALA P 12 -0.945 18.099 13.959 1.00 1.00 H new ATOM 0 HB1 ALA P 12 0.209 18.525 11.839 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -0.649 19.972 12.420 1.00 1.00 H new ATOM 0 HB3 ALA P 12 1.118 19.854 12.596 1.00 1.00 H new ATOM 199 N ILE P 13 2.238 18.230 14.790 1.00 1.00 N ATOM 200 CA ILE P 13 3.414 17.401 15.103 1.00 1.00 C ATOM 201 C ILE P 13 3.217 16.639 16.427 1.00 1.00 C ATOM 202 O ILE P 13 3.570 15.465 16.527 1.00 1.00 O ATOM 203 CB ILE P 13 4.730 18.257 15.111 1.00 1.00 C ATOM 204 CG1 ILE P 13 5.899 17.433 14.532 1.00 1.00 C ATOM 205 CG2 ILE P 13 5.133 18.709 16.529 1.00 1.00 C ATOM 206 CD1 ILE P 13 7.165 18.294 14.487 1.00 1.00 C ATOM 0 H ILE P 13 2.339 19.220 15.014 1.00 1.00 H new ATOM 0 HA ILE P 13 3.521 16.658 14.313 1.00 1.00 H new ATOM 0 HB ILE P 13 4.527 19.140 14.505 1.00 1.00 H new ATOM 0 HG12 ILE P 13 6.071 16.548 15.144 1.00 1.00 H new ATOM 0 HG13 ILE P 13 5.649 17.084 13.530 1.00 1.00 H new ATOM 0 HG21 ILE P 13 6.049 19.297 16.477 1.00 1.00 H new ATOM 0 HG22 ILE P 13 4.336 19.316 16.958 1.00 1.00 H new ATOM 0 HG23 ILE P 13 5.299 17.833 17.156 1.00 1.00 H new ATOM 0 HD11 ILE P 13 7.989 17.709 14.078 1.00 1.00 H new ATOM 0 HD12 ILE P 13 6.990 19.165 13.856 1.00 1.00 H new ATOM 0 HD13 ILE P 13 7.419 18.621 15.495 1.00 1.00 H new ATOM 218 N ARG P 14 2.659 17.312 17.433 1.00 1.00 N ATOM 219 CA ARG P 14 2.433 16.671 18.730 1.00 1.00 C ATOM 220 C ARG P 14 1.394 15.570 18.589 1.00 1.00 C ATOM 221 O ARG P 14 1.575 14.453 19.063 1.00 1.00 O ATOM 222 CB ARG P 14 1.961 17.717 19.740 1.00 1.00 C ATOM 223 CG ARG P 14 1.827 17.069 21.120 1.00 1.00 C ATOM 224 CD ARG P 14 1.397 18.128 22.143 1.00 1.00 C ATOM 225 NE ARG P 14 0.073 18.638 21.802 1.00 1.00 N ATOM 226 CZ ARG P 14 -0.473 19.649 22.469 1.00 1.00 C ATOM 227 NH1 ARG P 14 0.170 20.208 23.461 1.00 1.00 N ATOM 228 NH2 ARG P 14 -1.656 20.084 22.130 1.00 1.00 N ATOM 0 H ARG P 14 2.359 18.285 17.379 1.00 1.00 H new ATOM 0 HA ARG P 14 3.364 16.229 19.083 1.00 1.00 H new ATOM 0 HB2 ARG P 14 2.670 18.544 19.782 1.00 1.00 H new ATOM 0 HB3 ARG P 14 1.004 18.134 19.428 1.00 1.00 H new ATOM 0 HG2 ARG P 14 1.094 16.263 21.085 1.00 1.00 H new ATOM 0 HG3 ARG P 14 2.776 16.624 21.418 1.00 1.00 H new ATOM 0 HD2 ARG P 14 1.383 17.696 23.143 1.00 1.00 H new ATOM 0 HD3 ARG P 14 2.118 18.945 22.159 1.00 1.00 H new ATOM 0 HE ARG P 14 -0.445 18.209 21.035 1.00 1.00 H new ATOM 0 HH11 ARG P 14 1.095 19.868 23.725 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -0.253 20.984 23.970 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -2.157 19.648 21.356 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -2.079 20.860 22.639 1.00 1.00 H new ATOM 242 N ARG P 15 0.311 15.909 17.925 1.00 1.00 N ATOM 243 CA ARG P 15 -0.764 14.979 17.702 1.00 1.00 C ATOM 244 C ARG P 15 -0.194 13.727 17.068 1.00 1.00 C ATOM 245 O ARG P 15 -0.617 12.619 17.370 1.00 1.00 O ATOM 246 CB ARG P 15 -1.792 15.634 16.789 1.00 1.00 C ATOM 247 CG ARG P 15 -2.530 16.728 17.568 1.00 1.00 C ATOM 248 CD ARG P 15 -3.382 17.534 16.604 1.00 1.00 C ATOM 249 NE ARG P 15 -4.377 16.670 15.982 1.00 1.00 N ATOM 250 CZ ARG P 15 -5.159 17.112 15.004 1.00 1.00 C ATOM 251 NH1 ARG P 15 -5.042 18.337 14.588 1.00 1.00 N ATOM 252 NH2 ARG P 15 -6.042 16.317 14.459 1.00 1.00 N ATOM 0 H ARG P 15 0.155 16.835 17.527 1.00 1.00 H new ATOM 0 HA ARG P 15 -1.251 14.708 18.639 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -1.300 16.061 15.915 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -2.500 14.889 16.425 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -3.156 16.282 18.341 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -1.815 17.378 18.072 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -3.875 18.349 17.134 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -2.752 17.987 15.839 1.00 1.00 H new ATOM 0 HE ARG P 15 -4.475 15.707 16.304 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -4.351 18.956 15.012 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -5.641 18.680 13.837 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -6.132 15.355 14.785 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -6.641 16.659 13.708 1.00 1.00 H new ATOM 266 N ALA P 16 0.791 13.888 16.201 1.00 1.00 N ATOM 267 CA ALA P 16 1.390 12.720 15.574 1.00 1.00 C ATOM 268 C ALA P 16 1.826 11.793 16.686 1.00 1.00 C ATOM 269 O ALA P 16 1.941 10.583 16.518 1.00 1.00 O ATOM 270 CB ALA P 16 2.584 13.097 14.685 1.00 1.00 C ATOM 0 H ALA P 16 1.184 14.786 15.921 1.00 1.00 H new ATOM 0 HA ALA P 16 0.663 12.236 14.921 1.00 1.00 H new ATOM 0 HB1 ALA P 16 3.002 12.196 14.236 1.00 1.00 H new ATOM 0 HB2 ALA P 16 2.252 13.774 13.898 1.00 1.00 H new ATOM 0 HB3 ALA P 16 3.346 13.589 15.289 1.00 1.00 H new ATOM 276 N SER P 17 2.049 12.416 17.836 1.00 1.00 N ATOM 277 CA SER P 17 2.461 11.707 19.039 1.00 1.00 C ATOM 278 C SER P 17 1.214 11.218 19.792 1.00 1.00 C ATOM 279 O SER P 17 0.979 10.017 19.902 1.00 1.00 O ATOM 280 CB SER P 17 3.310 12.624 19.943 1.00 1.00 C ATOM 281 OG SER P 17 3.967 13.585 19.127 1.00 1.00 O ATOM 0 H SER P 17 1.950 13.424 17.960 1.00 1.00 H new ATOM 0 HA SER P 17 3.072 10.849 18.758 1.00 1.00 H new ATOM 0 HB2 SER P 17 2.677 13.121 20.678 1.00 1.00 H new ATOM 0 HB3 SER P 17 4.041 12.036 20.498 1.00 1.00 H new ATOM 0 HG SER P 17 3.308 14.219 18.773 1.00 1.00 H new ATOM 287 N THR P 18 0.422 12.162 20.331 1.00 1.00 N ATOM 288 CA THR P 18 -0.794 11.826 21.098 1.00 1.00 C ATOM 289 C THR P 18 -2.095 12.314 20.448 1.00 1.00 C ATOM 290 O THR P 18 -3.021 12.730 21.149 1.00 1.00 O ATOM 291 CB THR P 18 -0.681 12.439 22.490 1.00 1.00 C ATOM 292 OG1 THR P 18 -1.853 12.130 23.243 1.00 1.00 O ATOM 293 CG2 THR P 18 -0.534 13.951 22.371 1.00 1.00 C ATOM 0 H THR P 18 0.601 13.163 20.250 1.00 1.00 H new ATOM 0 HA THR P 18 -0.851 10.738 21.133 1.00 1.00 H new ATOM 0 HB THR P 18 0.193 12.030 22.997 1.00 1.00 H new ATOM 0 HG1 THR P 18 -2.636 12.525 22.806 1.00 1.00 H new ATOM 0 HG21 THR P 18 -0.453 14.388 23.366 1.00 1.00 H new ATOM 0 HG22 THR P 18 0.363 14.185 21.798 1.00 1.00 H new ATOM 0 HG23 THR P 18 -1.406 14.363 21.864 1.00 1.00 H new ATOM 301 N ILE P 19 -2.171 12.260 19.118 1.00 1.00 N ATOM 302 CA ILE P 19 -3.392 12.699 18.414 1.00 1.00 C ATOM 303 C ILE P 19 -4.617 12.172 19.175 1.00 1.00 C ATOM 304 O ILE P 19 -5.701 12.762 19.168 1.00 1.00 O ATOM 305 CB ILE P 19 -3.425 12.154 16.984 1.00 1.00 C ATOM 306 CG1 ILE P 19 -4.785 12.475 16.348 1.00 1.00 C ATOM 307 CG2 ILE P 19 -3.224 10.641 17.021 1.00 1.00 C ATOM 308 CD1 ILE P 19 -4.708 12.267 14.837 1.00 1.00 C ATOM 0 H ILE P 19 -1.423 11.925 18.511 1.00 1.00 H new ATOM 0 HA ILE P 19 -3.400 13.788 18.372 1.00 1.00 H new ATOM 0 HB ILE P 19 -2.632 12.615 16.395 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -5.557 11.834 16.774 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -5.067 13.504 16.569 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -3.246 10.246 16.005 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -2.261 10.413 17.478 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -4.021 10.182 17.606 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -5.675 12.496 14.389 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -3.948 12.926 14.417 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -4.446 11.230 14.625 1.00 1.00 H new ATOM 320 N GLU P 20 -4.393 11.035 19.833 1.00 1.00 N ATOM 321 CA GLU P 20 -5.413 10.350 20.630 1.00 1.00 C ATOM 322 C GLU P 20 -4.969 10.341 22.089 1.00 1.00 C ATOM 323 O GLU P 20 -4.013 9.657 22.461 1.00 1.00 O ATOM 324 CB GLU P 20 -5.554 8.904 20.131 1.00 1.00 C ATOM 325 CG GLU P 20 -6.622 8.129 20.930 1.00 1.00 C ATOM 326 CD GLU P 20 -8.009 8.669 20.588 1.00 1.00 C ATOM 327 OE1 GLU P 20 -8.089 9.480 19.680 1.00 1.00 O ATOM 328 OE2 GLU P 20 -8.967 8.268 21.229 1.00 1.00 O ATOM 0 H GLU P 20 -3.491 10.559 19.829 1.00 1.00 H new ATOM 0 HA GLU P 20 -6.370 10.862 20.536 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -5.821 8.908 19.074 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -4.594 8.394 20.216 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -6.566 7.066 20.695 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -6.435 8.229 21.999 1.00 1.00 H new ATOM 335 N MET P 21 -5.671 11.100 22.909 1.00 1.00 N ATOM 336 CA MET P 21 -5.344 11.174 24.337 1.00 1.00 C ATOM 337 C MET P 21 -5.055 9.772 24.895 1.00 1.00 C ATOM 338 O MET P 21 -3.922 9.498 25.294 1.00 1.00 O ATOM 339 CB MET P 21 -6.493 11.847 25.135 1.00 1.00 C ATOM 340 CG MET P 21 -6.201 13.342 25.378 1.00 1.00 C ATOM 341 SD MET P 21 -4.831 13.509 26.554 1.00 1.00 S ATOM 342 CE MET P 21 -4.297 15.164 26.042 1.00 1.00 C ATOM 0 H MET P 21 -6.466 11.672 22.623 1.00 1.00 H new ATOM 0 HA MET P 21 -4.449 11.786 24.448 1.00 1.00 H new ATOM 0 HB2 MET P 21 -7.430 11.741 24.588 1.00 1.00 H new ATOM 0 HB3 MET P 21 -6.622 11.339 26.091 1.00 1.00 H new ATOM 0 HG2 MET P 21 -5.948 13.831 24.437 1.00 1.00 H new ATOM 0 HG3 MET P 21 -7.090 13.838 25.767 1.00 1.00 H new ATOM 0 HE1 MET P 21 -3.445 15.475 26.647 1.00 1.00 H new ATOM 0 HE2 MET P 21 -4.008 15.144 24.991 1.00 1.00 H new ATOM 0 HE3 MET P 21 -5.116 15.870 26.180 1.00 1.00 H new ATOM 352 N PRO P 22 -6.046 8.891 24.938 1.00 1.00 N ATOM 353 CA PRO P 22 -5.874 7.510 25.458 1.00 1.00 C ATOM 354 C PRO P 22 -4.461 6.990 25.237 1.00 1.00 C ATOM 355 O PRO P 22 -3.922 7.059 24.142 1.00 1.00 O ATOM 356 CB PRO P 22 -6.892 6.707 24.662 1.00 1.00 C ATOM 357 CG PRO P 22 -8.006 7.674 24.350 1.00 1.00 C ATOM 358 CD PRO P 22 -7.434 9.103 24.502 1.00 1.00 C ATOM 0 HA PRO P 22 -6.026 7.446 26.535 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -6.451 6.308 23.749 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -7.259 5.857 25.237 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -8.380 7.516 23.338 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -8.846 7.523 25.027 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -7.477 9.651 23.561 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -7.997 9.682 25.234 1.00 1.00 H new ATOM 366 N GLN P 23 -3.888 6.484 26.290 1.00 1.00 N ATOM 367 CA GLN P 23 -2.527 5.951 26.239 1.00 1.00 C ATOM 368 C GLN P 23 -2.489 4.567 25.594 1.00 1.00 C ATOM 369 O GLN P 23 -1.426 4.099 25.176 1.00 1.00 O ATOM 370 CB GLN P 23 -1.961 5.862 27.655 1.00 1.00 C ATOM 371 CG GLN P 23 -1.779 7.270 28.219 1.00 1.00 C ATOM 372 CD GLN P 23 -1.275 7.200 29.657 1.00 1.00 C ATOM 373 OE1 GLN P 23 -0.984 6.115 30.167 1.00 1.00 O ATOM 374 NE2 GLN P 23 -1.152 8.298 30.347 1.00 1.00 N ATOM 0 H GLN P 23 -4.332 6.422 27.206 1.00 1.00 H new ATOM 0 HA GLN P 23 -1.925 6.626 25.632 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -2.634 5.288 28.292 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -1.006 5.337 27.644 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -1.072 7.827 27.605 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -2.726 7.809 28.183 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -1.393 9.195 29.925 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -0.815 8.261 31.309 1.00 1.00 H new ATOM 383 N GLN P 24 -3.645 3.919 25.511 1.00 1.00 N ATOM 384 CA GLN P 24 -3.750 2.586 24.912 1.00 1.00 C ATOM 385 C GLN P 24 -4.348 2.713 23.530 1.00 1.00 C ATOM 386 O GLN P 24 -3.763 2.287 22.534 1.00 1.00 O ATOM 387 CB GLN P 24 -4.638 1.694 25.768 1.00 1.00 C ATOM 388 CG GLN P 24 -3.939 1.390 27.096 1.00 1.00 C ATOM 389 CD GLN P 24 -4.845 0.544 27.982 1.00 1.00 C ATOM 390 OE1 GLN P 24 -5.949 0.962 28.327 1.00 1.00 O ATOM 391 NE2 GLN P 24 -4.443 -0.634 28.375 1.00 1.00 N ATOM 0 H GLN P 24 -4.530 4.295 25.852 1.00 1.00 H new ATOM 0 HA GLN P 24 -2.757 2.140 24.850 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -5.593 2.186 25.953 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -4.855 0.766 25.239 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -3.003 0.863 26.911 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -3.686 2.320 27.604 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -3.528 -0.982 28.090 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -5.044 -1.207 28.967 1.00 1.00 H new ATOM 400 N ALA P 25 -5.533 3.308 23.492 1.00 1.00 N ATOM 401 CA ALA P 25 -6.228 3.497 22.227 1.00 1.00 C ATOM 402 C ALA P 25 -5.288 4.219 21.264 1.00 1.00 C ATOM 403 O ALA P 25 -5.474 4.201 20.048 1.00 1.00 O ATOM 404 CB ALA P 25 -7.551 4.279 22.446 1.00 1.00 C ATOM 0 H ALA P 25 -6.027 3.663 24.311 1.00 1.00 H new ATOM 0 HA ALA P 25 -6.502 2.534 21.795 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -8.058 4.411 21.490 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -8.196 3.720 23.124 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -7.330 5.255 22.878 1.00 1.00 H new ATOM 410 N ARG P 26 -4.271 4.861 21.819 1.00 1.00 N ATOM 411 CA ARG P 26 -3.326 5.570 21.010 1.00 1.00 C ATOM 412 C ARG P 26 -2.530 4.584 20.164 1.00 1.00 C ATOM 413 O ARG P 26 -2.395 4.776 18.964 1.00 1.00 O ATOM 414 CB ARG P 26 -2.418 6.422 21.930 1.00 1.00 C ATOM 415 CG ARG P 26 -1.040 6.641 21.316 1.00 1.00 C ATOM 416 CD ARG P 26 -0.269 7.679 22.128 1.00 1.00 C ATOM 417 NE ARG P 26 1.049 7.887 21.541 1.00 1.00 N ATOM 418 CZ ARG P 26 1.988 8.578 22.173 1.00 1.00 C ATOM 419 NH1 ARG P 26 1.744 9.098 23.346 1.00 1.00 N ATOM 420 NH2 ARG P 26 3.160 8.739 21.621 1.00 1.00 N ATOM 0 H ARG P 26 -4.090 4.898 22.822 1.00 1.00 H new ATOM 0 HA ARG P 26 -3.837 6.244 20.322 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -2.891 7.386 22.116 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -2.312 5.927 22.896 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -0.489 5.701 21.294 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -1.141 6.976 20.284 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -0.820 8.619 22.150 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -0.168 7.345 23.161 1.00 1.00 H new ATOM 0 HE ARG P 26 1.254 7.492 20.623 1.00 1.00 H new ATOM 0 HH11 ARG P 26 0.829 8.973 23.779 1.00 1.00 H new ATOM 0 HH12 ARG P 26 2.469 9.629 23.829 1.00 1.00 H new ATOM 0 HH21 ARG P 26 3.352 8.334 20.705 1.00 1.00 H new ATOM 0 HH22 ARG P 26 3.883 9.270 22.106 1.00 1.00 H new ATOM 434 N GLN P 27 -1.999 3.528 20.775 1.00 1.00 N ATOM 435 CA GLN P 27 -1.218 2.546 20.022 1.00 1.00 C ATOM 436 C GLN P 27 -2.081 1.399 19.510 1.00 1.00 C ATOM 437 O GLN P 27 -1.822 0.857 18.442 1.00 1.00 O ATOM 438 CB GLN P 27 -0.103 1.990 20.914 1.00 1.00 C ATOM 439 CG GLN P 27 0.747 0.996 20.119 1.00 1.00 C ATOM 440 CD GLN P 27 1.957 0.578 20.941 1.00 1.00 C ATOM 441 OE1 GLN P 27 2.314 1.255 21.900 1.00 1.00 O ATOM 442 NE2 GLN P 27 2.615 -0.504 20.627 1.00 1.00 N ATOM 0 H GLN P 27 -2.091 3.330 21.771 1.00 1.00 H new ATOM 0 HA GLN P 27 -0.794 3.052 19.155 1.00 1.00 H new ATOM 0 HB2 GLN P 27 0.521 2.804 21.282 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -0.533 1.499 21.787 1.00 1.00 H new ATOM 0 HG2 GLN P 27 0.152 0.120 19.860 1.00 1.00 H new ATOM 0 HG3 GLN P 27 1.071 1.449 19.182 1.00 1.00 H new ATOM 0 HE21 GLN P 27 2.319 -1.068 19.830 1.00 1.00 H new ATOM 0 HE22 GLN P 27 3.425 -0.786 21.179 1.00 1.00 H new ATOM 451 N ASN P 28 -3.106 1.013 20.262 1.00 1.00 N ATOM 452 CA ASN P 28 -3.954 -0.089 19.813 1.00 2.15 C ATOM 453 C ASN P 28 -4.642 0.255 18.492 1.00 1.00 C ATOM 454 O ASN P 28 -4.591 -0.518 17.532 1.00 1.00 O ATOM 455 CB ASN P 28 -5.004 -0.413 20.885 1.00 1.00 C ATOM 456 CG ASN P 28 -4.374 -1.196 22.038 1.00 1.00 C ATOM 457 OD1 ASN P 28 -4.704 -0.957 23.200 1.00 1.00 O ATOM 458 ND2 ASN P 28 -3.486 -2.123 21.790 1.00 1.00 N ATOM 0 H ASN P 28 -3.366 1.429 21.156 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.324 -0.964 19.652 1.00 2.15 H new ATOM 0 HB2 ASN P 28 -5.443 0.511 21.263 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.814 -0.994 20.444 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -3.068 -2.647 22.559 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -3.212 -2.322 20.828 1.00 1.00 H new ATOM 465 N LEU P 29 -5.272 1.416 18.447 1.00 1.00 N ATOM 466 CA LEU P 29 -5.962 1.857 17.245 1.00 3.03 C ATOM 467 C LEU P 29 -4.962 2.209 16.175 1.00 1.00 C ATOM 468 O LEU P 29 -5.153 1.894 14.997 1.00 1.00 O ATOM 469 CB LEU P 29 -6.817 3.091 17.533 1.00 1.00 C ATOM 470 CG LEU P 29 -7.674 2.832 18.760 1.00 1.00 C ATOM 471 CD1 LEU P 29 -8.438 4.109 19.132 1.00 1.00 C ATOM 472 CD2 LEU P 29 -8.667 1.691 18.484 1.00 1.00 C ATOM 0 H LEU P 29 -5.321 2.071 19.228 1.00 1.00 H new ATOM 0 HA LEU P 29 -6.602 1.041 16.908 1.00 3.03 H new ATOM 0 HB2 LEU P 29 -6.179 3.959 17.697 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -7.449 3.318 16.675 1.00 1.00 H new ATOM 0 HG LEU P 29 -7.029 2.542 19.589 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -9.053 3.922 20.013 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -7.728 4.908 19.348 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -9.077 4.406 18.300 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -9.275 1.515 19.371 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -9.313 1.965 17.650 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -8.118 0.783 18.235 1.00 1.00 H new ATOM 484 N GLN P 30 -3.887 2.870 16.582 1.00 1.00 N ATOM 485 CA GLN P 30 -2.861 3.256 15.609 1.00 3.65 C ATOM 486 C GLN P 30 -2.034 2.063 15.157 1.00 1.00 C ATOM 487 O GLN P 30 -1.526 2.047 14.044 1.00 1.00 O ATOM 488 CB GLN P 30 -1.933 4.332 16.162 1.00 1.00 C ATOM 489 CG GLN P 30 -2.744 5.589 16.474 1.00 1.00 C ATOM 490 CD GLN P 30 -3.201 6.231 15.174 1.00 1.00 C ATOM 491 OE1 GLN P 30 -2.390 6.472 14.284 1.00 1.00 O ATOM 492 NE2 GLN P 30 -4.464 6.520 15.006 1.00 1.00 N ATOM 0 H GLN P 30 -3.700 3.146 17.546 1.00 1.00 H new ATOM 0 HA GLN P 30 -3.395 3.660 14.749 1.00 3.65 H new ATOM 0 HB2 GLN P 30 -1.437 3.972 17.064 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -1.151 4.561 15.438 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -3.607 5.335 17.090 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -2.139 6.292 17.047 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -5.136 6.319 15.747 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -4.778 6.947 14.134 1.00 1.00 H new ATOM 501 N ASN P 31 -1.893 1.056 16.015 1.00 1.00 N ATOM 502 CA ASN P 31 -1.110 -0.121 15.640 1.00 2.65 C ATOM 503 C ASN P 31 -1.772 -0.827 14.471 1.00 1.00 C ATOM 504 O ASN P 31 -1.106 -1.239 13.527 1.00 1.00 O ATOM 505 CB ASN P 31 -0.956 -1.090 16.824 1.00 1.00 C ATOM 506 CG ASN P 31 -0.335 -2.408 16.366 1.00 1.00 C ATOM 507 OD1 ASN P 31 0.164 -2.507 15.242 1.00 1.00 O ATOM 508 ND2 ASN P 31 -0.336 -3.432 17.173 1.00 1.00 N ATOM 0 H ASN P 31 -2.298 1.028 16.951 1.00 1.00 H new ATOM 0 HA ASN P 31 -0.114 0.211 15.347 1.00 2.65 H new ATOM 0 HB2 ASN P 31 -0.331 -0.636 17.593 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -1.930 -1.279 17.275 1.00 1.00 H new ATOM 0 HD21 ASN P 31 0.076 -4.316 16.875 1.00 1.00 H new ATOM 0 HD22 ASN P 31 -0.749 -3.349 18.102 1.00 1.00 H new ATOM 515 N LEU P 32 -3.086 -0.960 14.545 1.00 1.00 N ATOM 516 CA LEU P 32 -3.823 -1.617 13.486 1.00 2.26 C ATOM 517 C LEU P 32 -3.721 -0.791 12.218 1.00 1.00 C ATOM 518 O LEU P 32 -3.444 -1.309 11.146 1.00 1.00 O ATOM 519 CB LEU P 32 -5.296 -1.780 13.891 1.00 1.00 C ATOM 520 CG LEU P 32 -5.420 -2.779 15.051 1.00 1.00 C ATOM 521 CD1 LEU P 32 -6.837 -2.699 15.629 1.00 1.00 C ATOM 522 CD2 LEU P 32 -5.141 -4.217 14.557 1.00 1.00 C ATOM 0 H LEU P 32 -3.657 -0.624 15.321 1.00 1.00 H new ATOM 0 HA LEU P 32 -3.399 -2.606 13.310 1.00 2.26 H new ATOM 0 HB2 LEU P 32 -5.708 -0.815 14.187 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.879 -2.128 13.038 1.00 1.00 H new ATOM 0 HG LEU P 32 -4.689 -2.528 15.820 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -6.934 -3.405 16.454 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -7.025 -1.689 15.993 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -7.561 -2.946 14.853 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -5.233 -4.913 15.391 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -5.861 -4.482 13.783 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -4.132 -4.272 14.148 1.00 1.00 H new ATOM 534 N PHE P 33 -3.940 0.508 12.353 1.00 1.00 N ATOM 535 CA PHE P 33 -3.867 1.405 11.206 1.00 2.62 C ATOM 536 C PHE P 33 -2.448 1.440 10.651 1.00 1.00 C ATOM 537 O PHE P 33 -2.232 1.263 9.456 1.00 1.00 O ATOM 538 CB PHE P 33 -4.284 2.816 11.630 1.00 1.00 C ATOM 539 CG PHE P 33 -4.096 3.776 10.478 1.00 1.00 C ATOM 540 CD1 PHE P 33 -5.009 3.788 9.415 1.00 1.00 C ATOM 541 CD2 PHE P 33 -3.006 4.654 10.469 1.00 1.00 C ATOM 542 CE1 PHE P 33 -4.832 4.678 8.347 1.00 1.00 C ATOM 543 CE2 PHE P 33 -2.830 5.541 9.404 1.00 1.00 C ATOM 544 CZ PHE P 33 -3.744 5.553 8.343 1.00 1.00 C ATOM 0 H PHE P 33 -4.168 0.963 13.237 1.00 1.00 H new ATOM 0 HA PHE P 33 -4.541 1.040 10.431 1.00 2.62 H new ATOM 0 HB2 PHE P 33 -5.326 2.816 11.949 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -3.689 3.139 12.485 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -5.850 3.111 9.419 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -2.300 4.646 11.286 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -5.536 4.687 7.528 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -1.988 6.218 9.399 1.00 1.00 H new ATOM 0 HZ PHE P 33 -3.607 6.240 7.521 1.00 1.00 H new ATOM 554 N ILE P 34 -1.491 1.676 11.539 1.00 1.00 N ATOM 555 CA ILE P 34 -0.091 1.738 11.137 1.00 2.57 C ATOM 556 C ILE P 34 0.375 0.386 10.595 1.00 1.00 C ATOM 557 O ILE P 34 1.030 0.322 9.559 1.00 1.00 O ATOM 558 CB ILE P 34 0.789 2.166 12.323 1.00 1.00 C ATOM 559 CG1 ILE P 34 0.470 3.620 12.675 1.00 1.00 C ATOM 560 CG2 ILE P 34 2.271 2.051 11.948 1.00 1.00 C ATOM 561 CD1 ILE P 34 1.080 3.951 14.039 1.00 1.00 C ATOM 0 H ILE P 34 -1.656 1.827 12.534 1.00 1.00 H new ATOM 0 HA ILE P 34 0.004 2.480 10.344 1.00 2.57 H new ATOM 0 HB ILE P 34 0.587 1.518 13.176 1.00 1.00 H new ATOM 0 HG12 ILE P 34 0.870 4.288 11.912 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -0.609 3.773 12.699 1.00 1.00 H new ATOM 0 HG21 ILE P 34 2.885 2.357 12.795 1.00 1.00 H new ATOM 0 HG22 ILE P 34 2.501 1.018 11.687 1.00 1.00 H new ATOM 0 HG23 ILE P 34 2.482 2.697 11.095 1.00 1.00 H new ATOM 0 HD11 ILE P 34 0.856 4.986 14.296 1.00 1.00 H new ATOM 0 HD12 ILE P 34 0.658 3.290 14.796 1.00 1.00 H new ATOM 0 HD13 ILE P 34 2.160 3.813 13.998 1.00 1.00 H new ATOM 573 N ASN P 35 0.047 -0.695 11.294 1.00 1.00 N ATOM 574 CA ASN P 35 0.455 -2.011 10.845 1.00 2.94 C ATOM 575 C ASN P 35 -0.286 -2.382 9.585 1.00 1.00 C ATOM 576 O ASN P 35 0.311 -2.847 8.617 1.00 1.00 O ATOM 577 CB ASN P 35 0.196 -3.055 11.930 1.00 1.00 C ATOM 578 CG ASN P 35 0.696 -4.419 11.469 1.00 1.00 C ATOM 579 OD1 ASN P 35 1.842 -4.553 11.039 1.00 1.00 O ATOM 580 ND2 ASN P 35 -0.105 -5.446 11.527 1.00 1.00 N ATOM 0 H ASN P 35 -0.492 -0.683 12.160 1.00 1.00 H new ATOM 0 HA ASN P 35 1.524 -1.987 10.636 1.00 2.94 H new ATOM 0 HB2 ASN P 35 0.700 -2.766 12.852 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.870 -3.105 12.152 1.00 1.00 H new ATOM 0 HD21 ASN P 35 0.217 -6.362 11.216 1.00 1.00 H new ATOM 0 HD22 ASN P 35 -1.054 -5.333 11.884 1.00 1.00 H new ATOM 587 N PHE P 36 -1.594 -2.182 9.600 1.00 1.00 N ATOM 588 CA PHE P 36 -2.411 -2.509 8.445 1.00 3.00 C ATOM 589 C PHE P 36 -2.157 -1.587 7.258 1.00 1.00 C ATOM 590 O PHE P 36 -2.197 -2.026 6.103 1.00 1.00 O ATOM 591 CB PHE P 36 -3.896 -2.476 8.817 1.00 1.00 C ATOM 592 CG PHE P 36 -4.717 -3.096 7.713 1.00 1.00 C ATOM 593 CD1 PHE P 36 -4.730 -4.484 7.557 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.464 -2.285 6.847 1.00 1.00 C ATOM 595 CE1 PHE P 36 -5.489 -5.068 6.538 1.00 1.00 C ATOM 596 CE2 PHE P 36 -6.223 -2.871 5.828 1.00 1.00 C ATOM 597 CZ PHE P 36 -6.236 -4.262 5.673 1.00 1.00 C ATOM 0 H PHE P 36 -2.108 -1.798 10.393 1.00 1.00 H new ATOM 0 HA PHE P 36 -2.127 -3.516 8.138 1.00 3.00 H new ATOM 0 HB2 PHE P 36 -4.058 -3.016 9.750 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -4.215 -1.447 8.985 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -4.153 -5.107 8.224 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.454 -1.212 6.966 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -5.498 -6.141 6.419 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.800 -2.249 5.160 1.00 1.00 H new ATOM 0 HZ PHE P 36 -6.822 -4.713 4.886 1.00 1.00 H new ATOM 607 N ALA P 37 -1.892 -0.318 7.524 1.00 1.00 N ATOM 608 CA ALA P 37 -1.631 0.631 6.450 1.00 1.78 C ATOM 609 C ALA P 37 -0.225 0.450 5.893 1.00 1.00 C ATOM 610 O ALA P 37 0.004 0.597 4.706 1.00 1.00 O ATOM 611 CB ALA P 37 -1.799 2.071 6.940 1.00 1.00 C ATOM 0 H ALA P 37 -1.852 0.077 8.463 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.356 0.436 5.660 1.00 1.78 H new ATOM 0 HB1 ALA P 37 -1.599 2.760 6.120 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -2.819 2.217 7.296 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.099 2.262 7.754 1.00 1.00 H new ATOM 617 N LEU P 38 0.724 0.125 6.759 1.00 1.00 N ATOM 618 CA LEU P 38 2.099 -0.070 6.307 1.00 1.93 C ATOM 619 C LEU P 38 2.195 -1.252 5.340 1.00 1.00 C ATOM 620 O LEU P 38 2.949 -1.193 4.367 1.00 1.00 O ATOM 621 CB LEU P 38 3.062 -0.272 7.494 1.00 1.00 C ATOM 622 CG LEU P 38 3.453 1.073 8.134 1.00 1.00 C ATOM 623 CD1 LEU P 38 4.201 0.783 9.440 1.00 1.00 C ATOM 624 CD2 LEU P 38 4.367 1.889 7.183 1.00 1.00 C ATOM 0 H LEU P 38 0.575 -0.008 7.759 1.00 1.00 H new ATOM 0 HA LEU P 38 2.398 0.836 5.780 1.00 1.93 H new ATOM 0 HB2 LEU P 38 2.591 -0.910 8.242 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.959 -0.789 7.153 1.00 1.00 H new ATOM 0 HG LEU P 38 2.554 1.659 8.327 1.00 1.00 H new ATOM 0 HD11 LEU P 38 4.488 1.723 9.911 1.00 1.00 H new ATOM 0 HD12 LEU P 38 3.553 0.222 10.114 1.00 1.00 H new ATOM 0 HD13 LEU P 38 5.095 0.197 9.225 1.00 1.00 H new ATOM 0 HD21 LEU P 38 4.631 2.835 7.655 1.00 1.00 H new ATOM 0 HD22 LEU P 38 5.274 1.322 6.975 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.839 2.084 6.250 1.00 1.00 H new ATOM 636 N ILE P 39 1.436 -2.312 5.591 1.00 1.00 N ATOM 637 CA ILE P 39 1.480 -3.457 4.696 1.00 3.50 C ATOM 638 C ILE P 39 0.914 -3.050 3.337 1.00 1.00 C ATOM 639 O ILE P 39 1.470 -3.383 2.292 1.00 1.00 O ATOM 640 CB ILE P 39 0.664 -4.619 5.283 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.368 -5.161 6.553 1.00 1.00 C ATOM 642 CG2 ILE P 39 0.490 -5.738 4.250 1.00 1.00 C ATOM 643 CD1 ILE P 39 2.782 -5.705 6.247 1.00 1.00 C ATOM 0 H ILE P 39 0.800 -2.401 6.384 1.00 1.00 H new ATOM 0 HA ILE P 39 2.512 -3.787 4.577 1.00 3.50 H new ATOM 0 HB ILE P 39 -0.326 -4.252 5.552 1.00 1.00 H new ATOM 0 HG12 ILE P 39 1.439 -4.366 7.295 1.00 1.00 H new ATOM 0 HG13 ILE P 39 0.762 -5.954 6.992 1.00 1.00 H new ATOM 0 HG21 ILE P 39 -0.091 -6.550 4.688 1.00 1.00 H new ATOM 0 HG22 ILE P 39 -0.032 -5.348 3.376 1.00 1.00 H new ATOM 0 HG23 ILE P 39 1.469 -6.112 3.951 1.00 1.00 H new ATOM 0 HD11 ILE P 39 3.237 -6.074 7.166 1.00 1.00 H new ATOM 0 HD12 ILE P 39 2.710 -6.519 5.526 1.00 1.00 H new ATOM 0 HD13 ILE P 39 3.397 -4.906 5.833 1.00 1.00 H new ATOM 655 N LEU P 40 -0.206 -2.328 3.369 1.00 1.00 N ATOM 656 CA LEU P 40 -0.845 -1.880 2.134 1.00 3.00 C ATOM 657 C LEU P 40 -0.075 -0.728 1.474 1.00 1.00 C ATOM 658 O LEU P 40 0.202 -0.767 0.279 1.00 1.00 O ATOM 659 CB LEU P 40 -2.287 -1.437 2.419 1.00 1.00 C ATOM 660 CG LEU P 40 -3.146 -2.637 2.850 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.503 -2.124 3.351 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.364 -3.610 1.662 1.00 1.00 C ATOM 0 H LEU P 40 -0.684 -2.044 4.225 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.845 -2.723 1.443 1.00 3.00 H new ATOM 0 HB2 LEU P 40 -2.292 -0.679 3.202 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.715 -0.978 1.528 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.631 -3.176 3.645 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -5.120 -2.968 3.659 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -4.349 -1.458 4.200 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -5.005 -1.581 2.550 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -3.974 -4.452 1.989 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.872 -3.087 0.852 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.400 -3.976 1.310 1.00 1.00 H new ATOM 674 N ILE P 41 0.264 0.295 2.251 1.00 1.00 N ATOM 675 CA ILE P 41 0.985 1.435 1.713 1.00 1.70 C ATOM 676 C ILE P 41 2.359 1.015 1.183 1.00 1.00 C ATOM 677 O ILE P 41 2.740 1.381 0.074 1.00 1.00 O ATOM 678 CB ILE P 41 1.122 2.513 2.803 1.00 1.00 C ATOM 679 CG1 ILE P 41 -0.266 3.122 3.131 1.00 1.00 C ATOM 680 CG2 ILE P 41 2.088 3.601 2.355 1.00 1.00 C ATOM 681 CD1 ILE P 41 -0.906 3.816 1.913 1.00 1.00 C ATOM 0 H ILE P 41 0.052 0.355 3.247 1.00 1.00 H new ATOM 0 HA ILE P 41 0.424 1.846 0.874 1.00 1.70 H new ATOM 0 HB ILE P 41 1.521 2.049 3.705 1.00 1.00 H new ATOM 0 HG12 ILE P 41 -0.930 2.335 3.487 1.00 1.00 H new ATOM 0 HG13 ILE P 41 -0.161 3.842 3.942 1.00 1.00 H new ATOM 0 HG21 ILE P 41 2.174 4.356 3.137 1.00 1.00 H new ATOM 0 HG22 ILE P 41 3.068 3.162 2.165 1.00 1.00 H new ATOM 0 HG23 ILE P 41 1.715 4.065 1.442 1.00 1.00 H new ATOM 0 HD11 ILE P 41 -1.876 4.225 2.196 1.00 1.00 H new ATOM 0 HD12 ILE P 41 -0.257 4.623 1.571 1.00 1.00 H new ATOM 0 HD13 ILE P 41 -1.038 3.092 1.109 1.00 1.00 H new ATOM 693 N PHE P 42 3.107 0.256 1.969 1.00 1.00 N ATOM 694 CA PHE P 42 4.429 -0.173 1.528 1.00 2.32 C ATOM 695 C PHE P 42 4.335 -0.944 0.219 1.00 1.00 C ATOM 696 O PHE P 42 5.098 -0.692 -0.712 1.00 1.00 O ATOM 697 CB PHE P 42 5.081 -1.055 2.593 1.00 1.00 C ATOM 698 CG PHE P 42 6.458 -1.454 2.129 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.498 -0.519 2.161 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.701 -2.756 1.670 1.00 1.00 C ATOM 701 CE1 PHE P 42 8.779 -0.883 1.732 1.00 1.00 C ATOM 702 CE2 PHE P 42 7.983 -3.119 1.242 1.00 1.00 C ATOM 703 CZ PHE P 42 9.023 -2.181 1.273 1.00 1.00 C ATOM 0 H PHE P 42 2.832 -0.071 2.895 1.00 1.00 H new ATOM 0 HA PHE P 42 5.040 0.716 1.371 1.00 2.32 H new ATOM 0 HB2 PHE P 42 5.144 -0.517 3.539 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.473 -1.942 2.771 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.312 0.484 2.517 1.00 1.00 H new ATOM 0 HD2 PHE P 42 5.899 -3.479 1.647 1.00 1.00 H new ATOM 0 HE1 PHE P 42 9.581 -0.160 1.755 1.00 1.00 H new ATOM 0 HE2 PHE P 42 8.170 -4.122 0.888 1.00 1.00 H new ATOM 0 HZ PHE P 42 10.013 -2.460 0.943 1.00 1.00 H new ATOM 713 N LEU P 43 3.397 -1.879 0.157 1.00 1.00 N ATOM 714 CA LEU P 43 3.209 -2.684 -1.047 1.00 2.65 C ATOM 715 C LEU P 43 2.722 -1.824 -2.213 1.00 1.00 C ATOM 716 O LEU P 43 3.175 -1.988 -3.347 1.00 1.00 O ATOM 717 CB LEU P 43 2.209 -3.810 -0.779 1.00 1.00 C ATOM 718 CG LEU P 43 2.817 -4.853 0.173 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.714 -5.824 0.619 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.950 -5.642 -0.530 1.00 1.00 C ATOM 0 H LEU P 43 2.757 -2.100 0.920 1.00 1.00 H new ATOM 0 HA LEU P 43 4.173 -3.115 -1.317 1.00 2.65 H new ATOM 0 HB2 LEU P 43 1.298 -3.399 -0.344 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.928 -4.286 -1.718 1.00 1.00 H new ATOM 0 HG LEU P 43 3.240 -4.341 1.038 1.00 1.00 H new ATOM 0 HD11 LEU P 43 2.136 -6.568 1.295 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.928 -5.271 1.133 1.00 1.00 H new ATOM 0 HD13 LEU P 43 1.294 -6.324 -0.254 1.00 1.00 H new ATOM 0 HD21 LEU P 43 4.366 -6.375 0.161 1.00 1.00 H new ATOM 0 HD22 LEU P 43 3.548 -6.155 -1.404 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.734 -4.952 -0.843 1.00 1.00 H new ATOM 732 N LEU P 44 1.797 -0.908 -1.938 1.00 1.00 N ATOM 733 CA LEU P 44 1.266 -0.036 -2.978 1.00 2.29 C ATOM 734 C LEU P 44 2.318 0.969 -3.454 1.00 1.00 C ATOM 735 O LEU P 44 2.402 1.260 -4.645 1.00 1.00 O ATOM 736 CB LEU P 44 0.030 0.714 -2.462 1.00 1.00 C ATOM 737 CG LEU P 44 -1.169 -0.245 -2.308 1.00 1.00 C ATOM 738 CD1 LEU P 44 -2.260 0.449 -1.489 1.00 1.00 C ATOM 739 CD2 LEU P 44 -1.742 -0.633 -3.696 1.00 1.00 C ATOM 0 H LEU P 44 1.403 -0.752 -1.010 1.00 1.00 H new ATOM 0 HA LEU P 44 0.984 -0.662 -3.824 1.00 2.29 H new ATOM 0 HB2 LEU P 44 0.255 1.178 -1.502 1.00 1.00 H new ATOM 0 HB3 LEU P 44 -0.228 1.517 -3.152 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.834 -1.151 -1.803 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -3.112 -0.222 -1.375 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -1.868 0.708 -0.505 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -2.579 1.356 -2.002 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -2.586 -1.310 -3.565 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -2.074 0.265 -4.217 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.969 -1.128 -4.284 1.00 1.00 H new ATOM 751 N LEU P 45 3.119 1.507 -2.531 1.00 1.00 N ATOM 752 CA LEU P 45 4.143 2.482 -2.918 1.00 2.61 C ATOM 753 C LEU P 45 5.174 1.883 -3.861 1.00 1.00 C ATOM 754 O LEU P 45 5.572 2.522 -4.828 1.00 1.00 O ATOM 755 CB LEU P 45 4.847 3.065 -1.681 1.00 1.00 C ATOM 756 CG LEU P 45 3.928 4.050 -0.939 1.00 1.00 C ATOM 757 CD1 LEU P 45 4.592 4.435 0.389 1.00 1.00 C ATOM 758 CD2 LEU P 45 3.689 5.328 -1.793 1.00 1.00 C ATOM 0 H LEU P 45 3.082 1.292 -1.535 1.00 1.00 H new ATOM 0 HA LEU P 45 3.627 3.284 -3.446 1.00 2.61 H new ATOM 0 HB2 LEU P 45 5.139 2.257 -1.009 1.00 1.00 H new ATOM 0 HB3 LEU P 45 5.762 3.574 -1.984 1.00 1.00 H new ATOM 0 HG LEU P 45 2.964 3.575 -0.757 1.00 1.00 H new ATOM 0 HD11 LEU P 45 3.951 5.134 0.927 1.00 1.00 H new ATOM 0 HD12 LEU P 45 4.742 3.541 0.994 1.00 1.00 H new ATOM 0 HD13 LEU P 45 5.556 4.905 0.191 1.00 1.00 H new ATOM 0 HD21 LEU P 45 3.036 6.012 -1.250 1.00 1.00 H new ATOM 0 HD22 LEU P 45 4.643 5.817 -1.991 1.00 1.00 H new ATOM 0 HD23 LEU P 45 3.220 5.052 -2.737 1.00 1.00 H new ATOM 770 N ILE P 46 5.612 0.666 -3.603 1.00 1.00 N ATOM 771 CA ILE P 46 6.596 0.062 -4.493 1.00 2.25 C ATOM 772 C ILE P 46 5.967 -0.157 -5.859 1.00 1.00 C ATOM 773 O ILE P 46 6.611 0.030 -6.885 1.00 1.00 O ATOM 774 CB ILE P 46 7.142 -1.256 -3.920 1.00 1.00 C ATOM 775 CG1 ILE P 46 8.077 -1.905 -4.949 1.00 1.00 C ATOM 776 CG2 ILE P 46 5.999 -2.207 -3.578 1.00 1.00 C ATOM 777 CD1 ILE P 46 8.855 -3.037 -4.282 1.00 1.00 C ATOM 0 H ILE P 46 5.318 0.089 -2.815 1.00 1.00 H new ATOM 0 HA ILE P 46 7.444 0.740 -4.590 1.00 2.25 H new ATOM 0 HB ILE P 46 7.695 -1.045 -3.005 1.00 1.00 H new ATOM 0 HG12 ILE P 46 7.500 -2.291 -5.789 1.00 1.00 H new ATOM 0 HG13 ILE P 46 8.766 -1.162 -5.350 1.00 1.00 H new ATOM 0 HG21 ILE P 46 6.406 -3.134 -3.174 1.00 1.00 H new ATOM 0 HG22 ILE P 46 5.349 -1.743 -2.837 1.00 1.00 H new ATOM 0 HG23 ILE P 46 5.425 -2.425 -4.479 1.00 1.00 H new ATOM 0 HD11 ILE P 46 9.520 -3.500 -5.011 1.00 1.00 H new ATOM 0 HD12 ILE P 46 9.444 -2.637 -3.456 1.00 1.00 H new ATOM 0 HD13 ILE P 46 8.157 -3.783 -3.902 1.00 1.00 H new ATOM 789 N ALA P 47 4.699 -0.548 -5.858 1.00 1.00 N ATOM 790 CA ALA P 47 3.992 -0.783 -7.105 1.00 1.62 C ATOM 791 C ALA P 47 3.852 0.517 -7.902 1.00 1.00 C ATOM 792 O ALA P 47 4.158 0.557 -9.093 1.00 1.00 O ATOM 793 CB ALA P 47 2.605 -1.370 -6.820 1.00 1.00 C ATOM 0 H ALA P 47 4.146 -0.707 -5.016 1.00 1.00 H new ATOM 0 HA ALA P 47 4.569 -1.493 -7.698 1.00 1.62 H new ATOM 0 HB1 ALA P 47 2.083 -1.543 -7.761 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.712 -2.314 -6.286 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.032 -0.671 -6.210 1.00 1.00 H new ATOM 799 N ILE P 48 3.382 1.578 -7.240 1.00 1.00 N ATOM 800 CA ILE P 48 3.201 2.872 -7.905 1.00 3.78 C ATOM 801 C ILE P 48 4.536 3.474 -8.370 1.00 1.00 C ATOM 802 O ILE P 48 4.639 3.965 -9.492 1.00 1.00 O ATOM 803 CB ILE P 48 2.495 3.852 -6.948 1.00 1.00 C ATOM 804 CG1 ILE P 48 1.045 3.388 -6.671 1.00 1.00 C ATOM 805 CG2 ILE P 48 2.485 5.272 -7.531 1.00 1.00 C ATOM 806 CD1 ILE P 48 0.197 3.313 -7.959 1.00 1.00 C ATOM 0 H ILE P 48 3.122 1.568 -6.254 1.00 1.00 H new ATOM 0 HA ILE P 48 2.588 2.705 -8.791 1.00 3.78 H new ATOM 0 HB ILE P 48 3.049 3.864 -6.010 1.00 1.00 H new ATOM 0 HG12 ILE P 48 1.064 2.408 -6.194 1.00 1.00 H new ATOM 0 HG13 ILE P 48 0.574 4.075 -5.968 1.00 1.00 H new ATOM 0 HG21 ILE P 48 1.982 5.946 -6.838 1.00 1.00 H new ATOM 0 HG22 ILE P 48 3.510 5.609 -7.685 1.00 1.00 H new ATOM 0 HG23 ILE P 48 1.956 5.270 -8.484 1.00 1.00 H new ATOM 0 HD11 ILE P 48 -0.812 2.983 -7.712 1.00 1.00 H new ATOM 0 HD12 ILE P 48 0.153 4.298 -8.423 1.00 1.00 H new ATOM 0 HD13 ILE P 48 0.651 2.605 -8.653 1.00 1.00 H new ATOM 818 N ILE P 49 5.553 3.440 -7.511 1.00 1.00 N ATOM 819 CA ILE P 49 6.854 3.995 -7.879 1.00 1.00 C ATOM 820 C ILE P 49 7.441 3.227 -9.053 1.00 1.00 C ATOM 821 O ILE P 49 7.961 3.821 -9.999 1.00 1.00 O ATOM 822 CB ILE P 49 7.813 3.934 -6.685 1.00 1.00 C ATOM 823 CG1 ILE P 49 7.347 4.916 -5.581 1.00 1.00 C ATOM 824 CG2 ILE P 49 9.250 4.258 -7.121 1.00 1.00 C ATOM 825 CD1 ILE P 49 7.348 6.384 -6.061 1.00 1.00 C ATOM 0 H ILE P 49 5.505 3.042 -6.573 1.00 1.00 H new ATOM 0 HA ILE P 49 6.717 5.036 -8.171 1.00 1.00 H new ATOM 0 HB ILE P 49 7.803 2.921 -6.284 1.00 1.00 H new ATOM 0 HG12 ILE P 49 6.343 4.643 -5.256 1.00 1.00 H new ATOM 0 HG13 ILE P 49 8.000 4.820 -4.713 1.00 1.00 H new ATOM 0 HG21 ILE P 49 9.912 4.209 -6.257 1.00 1.00 H new ATOM 0 HG22 ILE P 49 9.575 3.535 -7.869 1.00 1.00 H new ATOM 0 HG23 ILE P 49 9.284 5.261 -7.547 1.00 1.00 H new ATOM 0 HD11 ILE P 49 7.014 7.032 -5.251 1.00 1.00 H new ATOM 0 HD12 ILE P 49 8.357 6.668 -6.360 1.00 1.00 H new ATOM 0 HD13 ILE P 49 6.674 6.489 -6.911 1.00 1.00 H new ATOM 837 N VAL P 50 7.357 1.913 -8.994 1.00 1.00 N ATOM 838 CA VAL P 50 7.888 1.097 -10.071 1.00 1.00 C ATOM 839 C VAL P 50 7.125 1.417 -11.347 1.00 1.00 C ATOM 840 O VAL P 50 7.715 1.579 -12.416 1.00 1.00 O ATOM 841 CB VAL P 50 7.774 -0.392 -9.718 1.00 1.00 C ATOM 842 CG1 VAL P 50 8.079 -1.247 -10.951 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.782 -0.723 -8.611 1.00 1.00 C ATOM 0 H VAL P 50 6.934 1.393 -8.226 1.00 1.00 H new ATOM 0 HA VAL P 50 8.945 1.319 -10.220 1.00 1.00 H new ATOM 0 HB VAL P 50 6.761 -0.605 -9.377 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.996 -2.302 -10.692 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.368 -1.011 -11.743 1.00 1.00 H new ATOM 0 HG13 VAL P 50 9.091 -1.037 -11.298 1.00 1.00 H new ATOM 0 HG21 VAL P 50 8.707 -1.780 -8.355 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.791 -0.505 -8.961 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.566 -0.120 -7.729 1.00 1.00 H new ATOM 853 N MET P 51 5.807 1.511 -11.223 1.00 1.00 N ATOM 854 CA MET P 51 4.953 1.816 -12.358 1.00 1.00 C ATOM 855 C MET P 51 5.231 3.226 -12.876 1.00 1.00 C ATOM 856 O MET P 51 5.093 3.485 -14.072 1.00 1.00 O ATOM 857 CB MET P 51 3.477 1.699 -11.950 1.00 1.00 C ATOM 858 CG MET P 51 3.055 0.224 -11.876 1.00 1.00 C ATOM 859 SD MET P 51 3.059 -0.510 -13.536 1.00 1.00 S ATOM 860 CE MET P 51 4.402 -1.708 -13.300 1.00 1.00 C ATOM 0 H MET P 51 5.307 1.379 -10.344 1.00 1.00 H new ATOM 0 HA MET P 51 5.168 1.101 -13.152 1.00 1.00 H new ATOM 0 HB2 MET P 51 3.322 2.177 -10.983 1.00 1.00 H new ATOM 0 HB3 MET P 51 2.852 2.227 -12.670 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.736 -0.325 -11.226 1.00 1.00 H new ATOM 0 HG3 MET P 51 2.061 0.144 -11.437 1.00 1.00 H new ATOM 0 HE1 MET P 51 4.703 -2.112 -14.266 1.00 1.00 H new ATOM 0 HE2 MET P 51 5.253 -1.213 -12.833 1.00 1.00 H new ATOM 0 HE3 MET P 51 4.057 -2.519 -12.659 1.00 1.00 H new ATOM 870 N LEU P 52 5.617 4.147 -11.988 1.00 1.00 N ATOM 871 CA LEU P 52 5.890 5.514 -12.435 1.00 1.00 C ATOM 872 C LEU P 52 7.035 5.542 -13.445 1.00 1.00 C ATOM 873 O LEU P 52 6.982 6.284 -14.422 1.00 1.00 O ATOM 874 CB LEU P 52 6.190 6.439 -11.235 1.00 1.00 C ATOM 875 CG LEU P 52 4.882 6.951 -10.589 1.00 1.00 C ATOM 876 CD1 LEU P 52 5.222 7.665 -9.278 1.00 1.00 C ATOM 877 CD2 LEU P 52 4.145 7.936 -11.541 1.00 1.00 C ATOM 0 H LEU P 52 5.744 3.980 -10.990 1.00 1.00 H new ATOM 0 HA LEU P 52 4.995 5.888 -12.932 1.00 1.00 H new ATOM 0 HB2 LEU P 52 6.779 5.899 -10.493 1.00 1.00 H new ATOM 0 HB3 LEU P 52 6.792 7.285 -11.565 1.00 1.00 H new ATOM 0 HG LEU P 52 4.226 6.102 -10.397 1.00 1.00 H new ATOM 0 HD11 LEU P 52 4.306 8.030 -8.814 1.00 1.00 H new ATOM 0 HD12 LEU P 52 5.718 6.968 -8.602 1.00 1.00 H new ATOM 0 HD13 LEU P 52 5.885 8.506 -9.483 1.00 1.00 H new ATOM 0 HD21 LEU P 52 3.228 8.283 -11.066 1.00 1.00 H new ATOM 0 HD22 LEU P 52 4.790 8.789 -11.752 1.00 1.00 H new ATOM 0 HD23 LEU P 52 3.900 7.427 -12.473 1.00 1.00 H new ATOM 889 N LEU P 53 8.062 4.743 -13.214 1.00 1.00 N ATOM 890 CA LEU P 53 9.200 4.707 -14.125 1.00 1.00 C ATOM 891 C LEU P 53 8.858 3.911 -15.381 1.00 1.00 C ATOM 892 O LEU P 53 8.988 2.700 -15.344 1.00 1.00 O ATOM 893 CB LEU P 53 10.409 4.072 -13.431 1.00 1.00 C ATOM 894 CG LEU P 53 10.685 4.789 -12.102 1.00 1.00 C ATOM 895 CD1 LEU P 53 11.850 4.101 -11.388 1.00 1.00 C ATOM 896 CD2 LEU P 53 11.036 6.270 -12.361 1.00 1.00 C ATOM 897 OXT LEU P 53 8.471 4.526 -16.363 1.00 1.00 O ATOM 0 H LEU P 53 8.135 4.115 -12.413 1.00 1.00 H new ATOM 0 HA LEU P 53 9.442 5.731 -14.411 1.00 1.00 H new ATOM 0 HB2 LEU P 53 10.221 3.013 -13.251 1.00 1.00 H new ATOM 0 HB3 LEU P 53 11.285 4.135 -14.077 1.00 1.00 H new ATOM 0 HG LEU P 53 9.793 4.742 -11.477 1.00 1.00 H new ATOM 0 HD11 LEU P 53 12.048 4.608 -10.444 1.00 1.00 H new ATOM 0 HD12 LEU P 53 11.594 3.060 -11.194 1.00 1.00 H new ATOM 0 HD13 LEU P 53 12.739 4.145 -12.017 1.00 1.00 H new ATOM 0 HD21 LEU P 53 11.230 6.769 -11.412 1.00 1.00 H new ATOM 0 HD22 LEU P 53 11.924 6.329 -12.990 1.00 1.00 H new ATOM 0 HD23 LEU P 53 10.202 6.759 -12.864 1.00 1.00 H new TER 909 LEU P 53