USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 461 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 77:sc= 0.714 USER MOD Single : P 11 SER OG : rot -14:sc= 0.525 USER MOD Single : P 17 SER OG : rot 180:sc= 0 USER MOD Single : P 18 THR OG1 : rot 22:sc= 0.744 USER MOD Single : P 21 MET CE :methyl 173:sc= -0.0184 (180deg=-0.0563) USER MOD Single : P 23 GLN : amide:sc= -0.0218 K(o=-0.022,f=-0.75) USER MOD Single : P 24 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : P 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 28 ASN : amide:sc= -0.0394 K(o=-0.039,f=-1.7!) USER MOD Single : P 30 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.38) USER MOD Single : P 31 ASN : amide:sc= -0.143 K(o=-0.14,f=-2!) USER MOD Single : P 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 51 MET CE :methyl 150:sc= -0.48 (180deg=-2!) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU P 3 -23.356 -26.050 16.191 1.00 1.00 N ATOM 31 CA GLU P 3 -24.450 -25.271 16.755 1.00 1.00 C ATOM 32 C GLU P 3 -23.949 -23.909 17.240 1.00 1.00 C ATOM 33 O GLU P 3 -24.682 -22.921 17.214 1.00 1.00 O ATOM 34 CB GLU P 3 -25.089 -26.035 17.918 1.00 1.00 C ATOM 35 CG GLU P 3 -26.318 -25.270 18.416 1.00 1.00 C ATOM 36 CD GLU P 3 -27.008 -26.052 19.530 1.00 1.00 C ATOM 37 OE1 GLU P 3 -26.429 -27.022 19.997 1.00 1.00 O ATOM 38 OE2 GLU P 3 -28.106 -25.673 19.902 1.00 1.00 O ATOM 0 HA GLU P 3 -25.196 -25.109 15.977 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -25.376 -27.036 17.596 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -24.369 -26.155 18.728 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -26.020 -24.287 18.782 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -27.013 -25.107 17.592 1.00 1.00 H new ATOM 45 N LYS P 4 -22.696 -23.868 17.685 1.00 1.00 N ATOM 46 CA LYS P 4 -22.112 -22.619 18.175 1.00 1.00 C ATOM 47 C LYS P 4 -22.078 -21.571 17.067 1.00 1.00 C ATOM 48 O LYS P 4 -21.745 -20.413 17.313 1.00 1.00 O ATOM 49 CB LYS P 4 -20.695 -22.864 18.695 1.00 1.00 C ATOM 50 CG LYS P 4 -20.750 -23.730 19.957 1.00 1.00 C ATOM 51 CD LYS P 4 -19.333 -23.971 20.468 1.00 1.00 C ATOM 52 CE LYS P 4 -19.379 -24.820 21.740 1.00 1.00 C ATOM 53 NZ LYS P 4 -17.987 -25.053 22.228 1.00 1.00 N ATOM 0 H LYS P 4 -22.071 -24.673 17.717 1.00 1.00 H new ATOM 0 HA LYS P 4 -22.734 -22.249 18.990 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -20.097 -23.358 17.929 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -20.209 -21.914 18.915 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -21.346 -23.236 20.724 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -21.236 -24.681 19.738 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -18.742 -24.476 19.704 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -18.843 -23.019 20.673 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -19.966 -24.315 22.507 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -19.870 -25.772 21.538 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -18.014 -25.630 23.093 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -17.441 -25.552 21.496 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -17.534 -24.140 22.435 1.00 1.00 H new ATOM 67 N VAL P 5 -22.424 -21.981 15.852 1.00 1.00 N ATOM 68 CA VAL P 5 -22.425 -21.057 14.727 1.00 1.00 C ATOM 69 C VAL P 5 -23.410 -19.925 14.990 1.00 1.00 C ATOM 70 O VAL P 5 -23.112 -18.755 14.738 1.00 1.00 O ATOM 71 CB VAL P 5 -22.804 -21.797 13.439 1.00 1.00 C ATOM 72 CG1 VAL P 5 -22.972 -20.796 12.294 1.00 1.00 C ATOM 73 CG2 VAL P 5 -21.698 -22.791 13.081 1.00 1.00 C ATOM 0 H VAL P 5 -22.704 -22.935 15.623 1.00 1.00 H new ATOM 0 HA VAL P 5 -21.426 -20.638 14.609 1.00 1.00 H new ATOM 0 HB VAL P 5 -23.743 -22.328 13.594 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -23.241 -21.328 11.382 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -23.759 -20.085 12.545 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -22.035 -20.261 12.139 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -21.965 -23.318 12.165 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -20.761 -22.254 12.930 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -21.578 -23.510 13.892 1.00 1.00 H new ATOM 83 N GLN P 6 -24.577 -20.286 15.498 1.00 1.00 N ATOM 84 CA GLN P 6 -25.613 -19.310 15.801 1.00 1.00 C ATOM 85 C GLN P 6 -25.149 -18.365 16.905 1.00 1.00 C ATOM 86 O GLN P 6 -25.416 -17.165 16.862 1.00 1.00 O ATOM 87 CB GLN P 6 -26.884 -20.032 16.245 1.00 1.00 C ATOM 88 CG GLN P 6 -27.457 -20.815 15.065 1.00 1.00 C ATOM 89 CD GLN P 6 -28.663 -21.633 15.513 1.00 1.00 C ATOM 90 OE1 GLN P 6 -28.529 -22.525 16.352 1.00 1.00 O ATOM 91 NE2 GLN P 6 -29.837 -21.382 15.003 1.00 1.00 N ATOM 0 H GLN P 6 -24.832 -21.251 15.710 1.00 1.00 H new ATOM 0 HA GLN P 6 -25.818 -18.727 14.903 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -26.663 -20.707 17.072 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -27.617 -19.312 16.609 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -27.749 -20.128 14.271 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -26.694 -21.475 14.652 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -29.944 -20.643 14.309 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -30.648 -21.925 15.299 1.00 1.00 H new ATOM 100 N TYR P 7 -24.457 -18.922 17.890 1.00 1.00 N ATOM 101 CA TYR P 7 -23.955 -18.128 19.010 1.00 1.00 C ATOM 102 C TYR P 7 -23.006 -17.043 18.514 1.00 1.00 C ATOM 103 O TYR P 7 -23.146 -15.874 18.866 1.00 1.00 O ATOM 104 CB TYR P 7 -23.230 -19.044 20.000 1.00 1.00 C ATOM 105 CG TYR P 7 -22.606 -18.224 21.106 1.00 1.00 C ATOM 106 CD1 TYR P 7 -23.389 -17.779 22.178 1.00 1.00 C ATOM 107 CD2 TYR P 7 -21.244 -17.909 21.058 1.00 1.00 C ATOM 108 CE1 TYR P 7 -22.809 -17.019 23.204 1.00 1.00 C ATOM 109 CE2 TYR P 7 -20.662 -17.152 22.082 1.00 1.00 C ATOM 110 CZ TYR P 7 -21.443 -16.707 23.153 1.00 1.00 C ATOM 111 OH TYR P 7 -20.865 -15.957 24.164 1.00 1.00 O ATOM 0 H TYR P 7 -24.230 -19.915 17.939 1.00 1.00 H new ATOM 0 HA TYR P 7 -24.797 -17.647 19.508 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -23.931 -19.764 20.422 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -22.460 -19.615 19.482 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -24.441 -18.021 22.215 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -20.640 -18.250 20.230 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -23.413 -16.675 24.031 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -19.610 -16.912 22.045 1.00 1.00 H new ATOM 0 HH TYR P 7 -19.912 -15.832 23.975 1.00 1.00 H new ATOM 121 N LEU P 8 -22.037 -17.439 17.695 1.00 1.00 N ATOM 122 CA LEU P 8 -21.072 -16.486 17.164 1.00 1.00 C ATOM 123 C LEU P 8 -21.810 -15.370 16.420 1.00 1.00 C ATOM 124 O LEU P 8 -21.464 -14.197 16.549 1.00 1.00 O ATOM 125 CB LEU P 8 -20.104 -17.201 16.215 1.00 1.00 C ATOM 126 CG LEU P 8 -19.218 -18.182 17.000 1.00 1.00 C ATOM 127 CD1 LEU P 8 -18.499 -19.096 16.005 1.00 1.00 C ATOM 128 CD2 LEU P 8 -18.176 -17.424 17.856 1.00 1.00 C ATOM 0 H LEU P 8 -21.900 -18.402 17.388 1.00 1.00 H new ATOM 0 HA LEU P 8 -20.503 -16.051 17.986 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -20.664 -17.738 15.450 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -19.481 -16.469 15.700 1.00 1.00 H new ATOM 0 HG LEU P 8 -19.845 -18.769 17.671 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -17.866 -19.798 16.548 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -19.235 -19.648 15.421 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -17.883 -18.494 15.337 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -17.562 -18.141 18.401 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -17.540 -16.822 17.207 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -18.690 -16.774 18.564 1.00 1.00 H new ATOM 140 N THR P 9 -22.833 -15.738 15.651 1.00 1.00 N ATOM 141 CA THR P 9 -23.604 -14.746 14.909 1.00 1.00 C ATOM 142 C THR P 9 -24.291 -13.798 15.894 1.00 1.00 C ATOM 143 O THR P 9 -24.292 -12.582 15.711 1.00 1.00 O ATOM 144 CB THR P 9 -24.655 -15.427 14.025 1.00 1.00 C ATOM 145 OG1 THR P 9 -24.039 -16.465 13.272 1.00 1.00 O ATOM 146 CG2 THR P 9 -25.266 -14.393 13.078 1.00 1.00 C ATOM 0 H THR P 9 -23.143 -16.702 15.527 1.00 1.00 H new ATOM 0 HA THR P 9 -22.927 -14.183 14.266 1.00 1.00 H new ATOM 0 HB THR P 9 -25.440 -15.854 14.649 1.00 1.00 H new ATOM 0 HG1 THR P 9 -23.894 -17.245 13.847 1.00 1.00 H new ATOM 0 HG21 THR P 9 -26.014 -14.874 12.448 1.00 1.00 H new ATOM 0 HG22 THR P 9 -25.737 -13.600 13.660 1.00 1.00 H new ATOM 0 HG23 THR P 9 -24.483 -13.967 12.451 1.00 1.00 H new ATOM 154 N ARG P 10 -24.872 -14.379 16.944 1.00 1.00 N ATOM 155 CA ARG P 10 -25.561 -13.599 17.969 1.00 1.00 C ATOM 156 C ARG P 10 -24.593 -12.599 18.595 1.00 1.00 C ATOM 157 O ARG P 10 -24.933 -11.439 18.835 1.00 1.00 O ATOM 158 CB ARG P 10 -26.124 -14.539 19.042 1.00 1.00 C ATOM 159 CG ARG P 10 -26.931 -13.737 20.071 1.00 1.00 C ATOM 160 CD ARG P 10 -27.427 -14.676 21.173 1.00 1.00 C ATOM 161 NE ARG P 10 -28.387 -15.635 20.631 1.00 1.00 N ATOM 162 CZ ARG P 10 -29.667 -15.308 20.470 1.00 1.00 C ATOM 163 NH1 ARG P 10 -30.080 -14.117 20.805 1.00 1.00 N ATOM 164 NH2 ARG P 10 -30.509 -16.179 19.980 1.00 1.00 N ATOM 0 H ARG P 10 -24.879 -15.386 17.106 1.00 1.00 H new ATOM 0 HA ARG P 10 -26.385 -13.050 17.514 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -26.759 -15.294 18.579 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -25.310 -15.067 19.538 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -26.312 -12.949 20.501 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -27.777 -13.249 19.586 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -26.583 -15.206 21.615 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -27.892 -14.097 21.971 1.00 1.00 H new ATOM 0 HE ARG P 10 -28.071 -16.570 20.372 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -29.422 -13.439 21.189 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -31.061 -13.864 20.683 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -30.185 -17.111 19.720 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -31.490 -15.927 19.857 1.00 1.00 H new ATOM 178 N SER P 11 -23.388 -13.054 18.860 1.00 1.00 N ATOM 179 CA SER P 11 -22.378 -12.194 19.456 1.00 1.00 C ATOM 180 C SER P 11 -21.902 -11.166 18.440 1.00 1.00 C ATOM 181 O SER P 11 -21.476 -10.075 18.798 1.00 1.00 O ATOM 182 CB SER P 11 -21.191 -13.027 19.921 1.00 1.00 C ATOM 183 OG SER P 11 -20.647 -13.723 18.803 1.00 1.00 O ATOM 0 H SER P 11 -23.080 -14.009 18.675 1.00 1.00 H new ATOM 0 HA SER P 11 -22.819 -11.681 20.311 1.00 1.00 H new ATOM 0 HB2 SER P 11 -20.433 -12.385 20.370 1.00 1.00 H new ATOM 0 HB3 SER P 11 -21.505 -13.734 20.689 1.00 1.00 H new ATOM 0 HG SER P 11 -21.280 -13.687 18.056 1.00 1.00 H new ATOM 189 N ALA P 12 -21.984 -11.550 17.172 1.00 1.00 N ATOM 190 CA ALA P 12 -21.562 -10.680 16.088 1.00 1.00 C ATOM 191 C ALA P 12 -22.380 -9.406 16.096 1.00 1.00 C ATOM 192 O ALA P 12 -21.861 -8.313 15.874 1.00 1.00 O ATOM 193 CB ALA P 12 -21.705 -11.394 14.742 1.00 1.00 C ATOM 0 H ALA P 12 -22.339 -12.458 16.872 1.00 1.00 H new ATOM 0 HA ALA P 12 -20.512 -10.426 16.233 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -21.385 -10.728 13.941 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -21.085 -12.291 14.738 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -22.747 -11.673 14.587 1.00 1.00 H new ATOM 199 N ILE P 13 -23.670 -9.558 16.363 1.00 1.00 N ATOM 200 CA ILE P 13 -24.576 -8.406 16.408 1.00 1.00 C ATOM 201 C ILE P 13 -24.442 -7.661 17.732 1.00 1.00 C ATOM 202 O ILE P 13 -24.698 -6.458 17.807 1.00 1.00 O ATOM 203 CB ILE P 13 -26.035 -8.816 16.151 1.00 1.00 C ATOM 204 CG1 ILE P 13 -26.923 -7.568 16.239 1.00 1.00 C ATOM 205 CG2 ILE P 13 -26.500 -9.850 17.173 1.00 1.00 C ATOM 206 CD1 ILE P 13 -28.305 -7.875 15.667 1.00 1.00 C ATOM 0 H ILE P 13 -24.115 -10.457 16.551 1.00 1.00 H new ATOM 0 HA ILE P 13 -24.284 -7.730 15.604 1.00 1.00 H new ATOM 0 HB ILE P 13 -26.108 -9.263 15.159 1.00 1.00 H new ATOM 0 HG12 ILE P 13 -27.012 -7.246 17.277 1.00 1.00 H new ATOM 0 HG13 ILE P 13 -26.466 -6.746 15.688 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -27.535 -10.123 16.969 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -25.870 -10.737 17.105 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -26.427 -9.429 18.176 1.00 1.00 H new ATOM 0 HD11 ILE P 13 -28.931 -6.985 15.732 1.00 1.00 H new ATOM 0 HD12 ILE P 13 -28.208 -8.175 14.624 1.00 1.00 H new ATOM 0 HD13 ILE P 13 -28.763 -8.684 16.236 1.00 1.00 H new ATOM 218 N ARG P 14 -24.029 -8.372 18.776 1.00 1.00 N ATOM 219 CA ARG P 14 -23.864 -7.731 20.074 1.00 1.00 C ATOM 220 C ARG P 14 -22.848 -6.611 19.901 1.00 1.00 C ATOM 221 O ARG P 14 -23.023 -5.501 20.393 1.00 1.00 O ATOM 222 CB ARG P 14 -23.395 -8.747 21.119 1.00 1.00 C ATOM 223 CG ARG P 14 -23.300 -8.074 22.492 1.00 1.00 C ATOM 224 CD ARG P 14 -23.016 -9.133 23.559 1.00 1.00 C ATOM 225 NE ARG P 14 -21.715 -9.753 23.326 1.00 1.00 N ATOM 226 CZ ARG P 14 -21.349 -10.850 23.990 1.00 1.00 C ATOM 227 NH1 ARG P 14 -22.158 -11.383 24.861 1.00 1.00 N ATOM 228 NH2 ARG P 14 -20.184 -11.394 23.767 1.00 1.00 N ATOM 0 H ARG P 14 -23.807 -9.367 18.752 1.00 1.00 H new ATOM 0 HA ARG P 14 -24.812 -7.326 20.429 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -24.090 -9.585 21.162 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -22.424 -9.153 20.835 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -22.508 -7.325 22.488 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -24.230 -7.553 22.719 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -23.036 -8.676 24.548 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -23.797 -9.893 23.543 1.00 1.00 H new ATOM 0 HE ARG P 14 -21.077 -9.341 22.645 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -23.070 -10.961 25.034 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -21.879 -12.222 25.369 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -19.550 -10.980 23.083 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -19.907 -12.233 24.277 1.00 1.00 H new ATOM 242 N ARG P 15 -21.787 -6.937 19.186 1.00 1.00 N ATOM 243 CA ARG P 15 -20.717 -5.985 18.917 1.00 1.00 C ATOM 244 C ARG P 15 -21.307 -4.685 18.374 1.00 1.00 C ATOM 245 O ARG P 15 -20.851 -3.597 18.691 1.00 1.00 O ATOM 246 CB ARG P 15 -19.769 -6.589 17.885 1.00 1.00 C ATOM 247 CG ARG P 15 -19.071 -7.800 18.489 1.00 1.00 C ATOM 248 CD ARG P 15 -18.274 -8.524 17.399 1.00 1.00 C ATOM 249 NE ARG P 15 -17.190 -7.675 16.919 1.00 1.00 N ATOM 250 CZ ARG P 15 -16.459 -8.031 15.871 1.00 1.00 C ATOM 251 NH1 ARG P 15 -16.709 -9.155 15.257 1.00 1.00 N ATOM 252 NH2 ARG P 15 -15.494 -7.258 15.452 1.00 1.00 N ATOM 0 H ARG P 15 -21.640 -7.860 18.777 1.00 1.00 H new ATOM 0 HA ARG P 15 -20.174 -5.770 19.838 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -20.323 -6.882 16.993 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -19.032 -5.848 17.574 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -18.406 -7.486 19.294 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -19.805 -8.476 18.928 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -17.868 -9.456 17.793 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -18.933 -8.788 16.571 1.00 1.00 H new ATOM 0 HE ARG P 15 -16.991 -6.795 17.396 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -17.465 -9.757 15.583 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -16.149 -9.431 14.451 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -15.301 -6.378 15.931 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -14.933 -7.534 14.646 1.00 1.00 H new ATOM 266 N ALA P 16 -22.338 -4.804 17.568 1.00 1.00 N ATOM 267 CA ALA P 16 -22.974 -3.623 17.013 1.00 1.00 C ATOM 268 C ALA P 16 -23.392 -2.728 18.172 1.00 1.00 C ATOM 269 O ALA P 16 -23.519 -1.513 18.035 1.00 1.00 O ATOM 270 CB ALA P 16 -24.203 -4.010 16.186 1.00 1.00 C ATOM 0 H ALA P 16 -22.752 -5.692 17.283 1.00 1.00 H new ATOM 0 HA ALA P 16 -22.278 -3.102 16.356 1.00 1.00 H new ATOM 0 HB1 ALA P 16 -24.665 -3.111 15.779 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -23.900 -4.664 15.369 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -24.920 -4.531 16.821 1.00 1.00 H new ATOM 276 N SER P 17 -23.604 -3.367 19.316 1.00 1.00 N ATOM 277 CA SER P 17 -24.012 -2.660 20.520 1.00 1.00 C ATOM 278 C SER P 17 -22.861 -1.829 21.112 1.00 1.00 C ATOM 279 O SER P 17 -22.984 -0.612 21.241 1.00 1.00 O ATOM 280 CB SER P 17 -24.532 -3.651 21.568 1.00 1.00 C ATOM 281 OG SER P 17 -25.412 -2.964 22.447 1.00 1.00 O ATOM 0 H SER P 17 -23.500 -4.375 19.434 1.00 1.00 H new ATOM 0 HA SER P 17 -24.811 -1.974 20.241 1.00 1.00 H new ATOM 0 HB2 SER P 17 -25.052 -4.477 21.082 1.00 1.00 H new ATOM 0 HB3 SER P 17 -23.701 -4.082 22.126 1.00 1.00 H new ATOM 0 HG SER P 17 -25.753 -3.588 23.122 1.00 1.00 H new ATOM 287 N THR P 18 -21.742 -2.480 21.488 1.00 1.00 N ATOM 288 CA THR P 18 -20.598 -1.756 22.081 1.00 1.00 C ATOM 289 C THR P 18 -19.235 -2.178 21.502 1.00 1.00 C ATOM 290 O THR P 18 -18.210 -1.756 22.038 1.00 1.00 O ATOM 291 CB THR P 18 -20.599 -1.983 23.603 1.00 1.00 C ATOM 292 OG1 THR P 18 -19.300 -1.740 24.119 1.00 1.00 O ATOM 293 CG2 THR P 18 -21.007 -3.421 23.911 1.00 1.00 C ATOM 0 H THR P 18 -21.606 -3.487 21.395 1.00 1.00 H new ATOM 0 HA THR P 18 -20.726 -0.702 21.836 1.00 1.00 H new ATOM 0 HB THR P 18 -21.310 -1.300 24.067 1.00 1.00 H new ATOM 0 HG1 THR P 18 -18.803 -1.168 23.497 1.00 1.00 H new ATOM 0 HG21 THR P 18 -21.006 -3.576 24.990 1.00 1.00 H new ATOM 0 HG22 THR P 18 -22.007 -3.608 23.518 1.00 1.00 H new ATOM 0 HG23 THR P 18 -20.300 -4.108 23.445 1.00 1.00 H new ATOM 301 N ILE P 19 -19.250 -3.003 20.433 1.00 1.00 N ATOM 302 CA ILE P 19 -18.009 -3.514 19.759 1.00 1.00 C ATOM 303 C ILE P 19 -16.727 -3.052 20.475 1.00 1.00 C ATOM 304 O ILE P 19 -16.393 -1.870 20.464 1.00 1.00 O ATOM 305 CB ILE P 19 -17.980 -3.084 18.278 1.00 1.00 C ATOM 306 CG1 ILE P 19 -16.652 -3.511 17.639 1.00 1.00 C ATOM 307 CG2 ILE P 19 -18.166 -1.579 18.149 1.00 1.00 C ATOM 308 CD1 ILE P 19 -16.741 -3.344 16.121 1.00 1.00 C ATOM 0 H ILE P 19 -20.112 -3.340 20.005 1.00 1.00 H new ATOM 0 HA ILE P 19 -18.039 -4.602 19.814 1.00 1.00 H new ATOM 0 HB ILE P 19 -18.802 -3.574 17.757 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -15.835 -2.908 18.035 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -16.432 -4.549 17.889 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -18.142 -1.298 17.096 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -19.126 -1.293 18.579 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -17.363 -1.066 18.679 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -15.798 -3.647 15.666 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -17.548 -3.966 15.733 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -16.941 -2.300 15.881 1.00 1.00 H new ATOM 320 N GLU P 20 -16.046 -4.024 21.096 1.00 1.00 N ATOM 321 CA GLU P 20 -14.791 -3.816 21.861 1.00 1.00 C ATOM 322 C GLU P 20 -14.337 -2.347 21.949 1.00 1.00 C ATOM 323 O GLU P 20 -14.862 -1.604 22.776 1.00 1.00 O ATOM 324 CB GLU P 20 -13.675 -4.694 21.268 1.00 1.00 C ATOM 325 CG GLU P 20 -12.415 -4.619 22.143 1.00 1.00 C ATOM 326 CD GLU P 20 -11.371 -5.603 21.639 1.00 1.00 C ATOM 327 OE1 GLU P 20 -11.544 -6.114 20.546 1.00 1.00 O ATOM 328 OE2 GLU P 20 -10.413 -5.836 22.359 1.00 1.00 O ATOM 0 H GLU P 20 -16.350 -4.998 21.086 1.00 1.00 H new ATOM 0 HA GLU P 20 -15.004 -4.112 22.888 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -14.015 -5.727 21.196 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -13.443 -4.364 20.255 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -12.011 -3.607 22.126 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -12.668 -4.844 23.179 1.00 1.00 H new ATOM 335 N MET P 21 -13.365 -1.967 21.105 1.00 1.00 N ATOM 336 CA MET P 21 -12.787 -0.603 21.053 1.00 1.00 C ATOM 337 C MET P 21 -13.362 0.357 22.096 1.00 1.00 C ATOM 338 O MET P 21 -14.157 1.242 21.776 1.00 1.00 O ATOM 339 CB MET P 21 -12.976 -0.007 19.657 1.00 1.00 C ATOM 340 CG MET P 21 -14.412 -0.224 19.200 1.00 1.00 C ATOM 341 SD MET P 21 -14.748 0.804 17.748 1.00 1.00 S ATOM 342 CE MET P 21 -14.266 -0.409 16.495 1.00 1.00 C ATOM 0 H MET P 21 -12.948 -2.604 20.426 1.00 1.00 H new ATOM 0 HA MET P 21 -11.728 -0.718 21.286 1.00 1.00 H new ATOM 0 HB2 MET P 21 -12.745 1.058 19.671 1.00 1.00 H new ATOM 0 HB3 MET P 21 -12.286 -0.474 18.955 1.00 1.00 H new ATOM 0 HG2 MET P 21 -14.573 -1.275 18.959 1.00 1.00 H new ATOM 0 HG3 MET P 21 -15.103 0.028 20.005 1.00 1.00 H new ATOM 0 HE1 MET P 21 -14.512 -0.026 15.504 1.00 1.00 H new ATOM 0 HE2 MET P 21 -13.193 -0.591 16.558 1.00 1.00 H new ATOM 0 HE3 MET P 21 -14.803 -1.342 16.667 1.00 1.00 H new ATOM 352 N PRO P 22 -12.970 0.206 23.332 1.00 1.00 N ATOM 353 CA PRO P 22 -13.444 1.072 24.430 1.00 1.00 C ATOM 354 C PRO P 22 -12.513 2.267 24.603 1.00 1.00 C ATOM 355 O PRO P 22 -12.954 3.411 24.622 1.00 1.00 O ATOM 356 CB PRO P 22 -13.389 0.139 25.641 1.00 1.00 C ATOM 357 CG PRO P 22 -12.187 -0.731 25.378 1.00 1.00 C ATOM 358 CD PRO P 22 -12.028 -0.805 23.838 1.00 1.00 C ATOM 0 HA PRO P 22 -14.435 1.495 24.265 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -13.281 0.698 26.571 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -14.299 -0.454 25.729 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -11.294 -0.310 25.841 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -12.327 -1.725 25.802 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -11.005 -0.586 23.532 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -12.268 -1.799 23.460 1.00 1.00 H new ATOM 366 N GLN P 23 -11.214 1.984 24.725 1.00 1.00 N ATOM 367 CA GLN P 23 -10.219 3.040 24.897 1.00 1.00 C ATOM 368 C GLN P 23 -8.824 2.577 24.449 1.00 1.00 C ATOM 369 O GLN P 23 -7.993 3.399 24.065 1.00 1.00 O ATOM 370 CB GLN P 23 -10.131 3.459 26.375 1.00 1.00 C ATOM 371 CG GLN P 23 -11.410 4.188 26.806 1.00 1.00 C ATOM 372 CD GLN P 23 -11.211 4.805 28.186 1.00 1.00 C ATOM 373 OE1 GLN P 23 -10.156 5.378 28.469 1.00 1.00 O ATOM 374 NE2 GLN P 23 -12.171 4.725 29.070 1.00 1.00 N ATOM 0 H GLN P 23 -10.830 1.039 24.708 1.00 1.00 H new ATOM 0 HA GLN P 23 -10.537 3.881 24.280 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -9.979 2.579 27.000 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -9.268 4.108 26.524 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -11.659 4.964 26.083 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -12.248 3.491 26.826 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -13.043 4.251 28.835 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -12.048 5.137 29.995 1.00 1.00 H new ATOM 383 N GLN P 24 -8.563 1.260 24.500 1.00 1.00 N ATOM 384 CA GLN P 24 -7.266 0.712 24.101 1.00 1.00 C ATOM 385 C GLN P 24 -7.415 0.059 22.751 1.00 1.00 C ATOM 386 O GLN P 24 -6.943 0.565 21.733 1.00 1.00 O ATOM 387 CB GLN P 24 -6.807 -0.310 25.145 1.00 1.00 C ATOM 388 CG GLN P 24 -6.491 0.431 26.447 1.00 1.00 C ATOM 389 CD GLN P 24 -6.113 -0.553 27.546 1.00 1.00 C ATOM 390 OE1 GLN P 24 -6.037 -1.755 27.310 1.00 1.00 O ATOM 391 NE2 GLN P 24 -5.869 -0.105 28.749 1.00 1.00 N ATOM 0 H GLN P 24 -9.235 0.560 24.814 1.00 1.00 H new ATOM 0 HA GLN P 24 -6.519 1.503 24.037 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -7.585 -1.055 25.313 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -5.926 -0.844 24.790 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -5.673 1.133 26.283 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -7.356 1.017 26.758 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -5.933 0.894 28.944 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -5.615 -0.755 29.493 1.00 1.00 H new ATOM 400 N ALA P 25 -8.093 -1.078 22.763 1.00 1.00 N ATOM 401 CA ALA P 25 -8.338 -1.836 21.548 1.00 1.00 C ATOM 402 C ALA P 25 -8.750 -0.874 20.433 1.00 1.00 C ATOM 403 O ALA P 25 -8.597 -1.156 19.248 1.00 1.00 O ATOM 404 CB ALA P 25 -9.438 -2.870 21.826 1.00 1.00 C ATOM 0 H ALA P 25 -8.485 -1.497 23.606 1.00 1.00 H new ATOM 0 HA ALA P 25 -7.438 -2.362 21.230 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -9.632 -3.447 20.922 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -9.114 -3.541 22.622 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -10.350 -2.358 22.132 1.00 1.00 H new ATOM 410 N ARG P 26 -9.271 0.277 20.846 1.00 1.00 N ATOM 411 CA ARG P 26 -9.700 1.290 19.926 1.00 1.00 C ATOM 412 C ARG P 26 -8.511 1.842 19.148 1.00 1.00 C ATOM 413 O ARG P 26 -8.593 2.017 17.933 1.00 1.00 O ATOM 414 CB ARG P 26 -10.382 2.406 20.713 1.00 1.00 C ATOM 415 CG ARG P 26 -10.916 3.448 19.751 1.00 1.00 C ATOM 416 CD ARG P 26 -11.671 4.531 20.523 1.00 1.00 C ATOM 417 NE ARG P 26 -12.326 5.451 19.597 1.00 1.00 N ATOM 418 CZ ARG P 26 -11.672 6.486 19.078 1.00 1.00 C ATOM 419 NH1 ARG P 26 -10.420 6.689 19.389 1.00 1.00 N ATOM 420 NH2 ARG P 26 -12.279 7.300 18.255 1.00 1.00 N ATOM 0 H ARG P 26 -9.402 0.520 21.828 1.00 1.00 H new ATOM 0 HA ARG P 26 -10.401 0.861 19.209 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -11.196 1.998 21.313 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -9.674 2.863 21.405 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -10.094 3.894 19.192 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -11.579 2.979 19.024 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -12.413 4.071 21.175 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -10.980 5.079 21.163 1.00 1.00 H new ATOM 0 HE ARG P 26 -13.302 5.297 19.344 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -9.944 6.054 20.030 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -9.918 7.483 18.991 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -13.256 7.142 18.010 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -11.775 8.093 17.858 1.00 1.00 H new ATOM 434 N GLN P 27 -7.390 2.121 19.828 1.00 1.00 N ATOM 435 CA GLN P 27 -6.217 2.652 19.143 1.00 1.00 C ATOM 436 C GLN P 27 -5.396 1.528 18.530 1.00 1.00 C ATOM 437 O GLN P 27 -4.806 1.696 17.462 1.00 1.00 O ATOM 438 CB GLN P 27 -5.344 3.433 20.130 1.00 1.00 C ATOM 439 CG GLN P 27 -6.069 4.718 20.548 1.00 1.00 C ATOM 440 CD GLN P 27 -5.216 5.495 21.543 1.00 1.00 C ATOM 441 OE1 GLN P 27 -4.936 4.998 22.635 1.00 1.00 O ATOM 442 NE2 GLN P 27 -4.784 6.688 21.231 1.00 1.00 N ATOM 0 H GLN P 27 -7.277 1.989 20.833 1.00 1.00 H new ATOM 0 HA GLN P 27 -6.558 3.315 18.348 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -5.131 2.821 21.007 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -4.386 3.676 19.671 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -6.272 5.333 19.671 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -7.032 4.473 20.995 1.00 1.00 H new ATOM 0 HE21 GLN P 27 -5.019 7.095 20.326 1.00 1.00 H new ATOM 0 HE22 GLN P 27 -4.212 7.213 21.893 1.00 1.00 H new ATOM 451 N ASN P 28 -5.355 0.379 19.205 1.00 1.00 N ATOM 452 CA ASN P 28 -4.584 -0.744 18.669 1.00 2.36 C ATOM 453 C ASN P 28 -5.188 -1.189 17.350 1.00 1.00 C ATOM 454 O ASN P 28 -4.480 -1.513 16.396 1.00 1.00 O ATOM 455 CB ASN P 28 -4.568 -1.918 19.643 1.00 1.00 C ATOM 456 CG ASN P 28 -3.770 -1.559 20.894 1.00 1.00 C ATOM 457 OD1 ASN P 28 -2.996 -0.602 20.884 1.00 1.00 O ATOM 458 ND2 ASN P 28 -3.913 -2.277 21.975 1.00 1.00 N ATOM 0 H ASN P 28 -5.827 0.203 20.092 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.557 -0.412 18.517 1.00 2.36 H new ATOM 0 HB2 ASN P 28 -5.588 -2.184 19.919 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -4.129 -2.792 19.162 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -3.382 -2.046 22.815 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -4.555 -3.069 21.980 1.00 1.00 H new ATOM 465 N LEU P 29 -6.509 -1.195 17.303 1.00 1.00 N ATOM 466 CA LEU P 29 -7.216 -1.588 16.102 1.00 2.20 C ATOM 467 C LEU P 29 -6.922 -0.574 15.015 1.00 1.00 C ATOM 468 O LEU P 29 -6.751 -0.925 13.839 1.00 1.00 O ATOM 469 CB LEU P 29 -8.729 -1.676 16.358 1.00 1.00 C ATOM 470 CG LEU P 29 -9.073 -2.984 17.102 1.00 1.00 C ATOM 471 CD1 LEU P 29 -10.512 -2.900 17.622 1.00 1.00 C ATOM 472 CD2 LEU P 29 -8.927 -4.213 16.162 1.00 1.00 C ATOM 0 H LEU P 29 -7.111 -0.932 18.083 1.00 1.00 H new ATOM 0 HA LEU P 29 -6.878 -2.576 15.790 1.00 2.20 H new ATOM 0 HB2 LEU P 29 -9.055 -0.819 16.947 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -9.268 -1.636 15.411 1.00 1.00 H new ATOM 0 HG LEU P 29 -8.380 -3.108 17.934 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -10.763 -3.821 18.149 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -10.604 -2.055 18.304 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -11.195 -2.765 16.783 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -9.175 -5.122 16.710 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -9.603 -4.105 15.314 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -7.900 -4.275 15.802 1.00 1.00 H new ATOM 484 N GLN P 30 -6.849 0.694 15.411 1.00 1.00 N ATOM 485 CA GLN P 30 -6.560 1.744 14.450 1.00 2.28 C ATOM 486 C GLN P 30 -5.113 1.659 13.982 1.00 1.00 C ATOM 487 O GLN P 30 -4.795 2.056 12.857 1.00 1.00 O ATOM 488 CB GLN P 30 -6.832 3.122 15.055 1.00 1.00 C ATOM 489 CG GLN P 30 -8.340 3.351 15.165 1.00 1.00 C ATOM 490 CD GLN P 30 -8.940 3.535 13.772 1.00 1.00 C ATOM 491 OE1 GLN P 30 -8.478 4.379 13.002 1.00 1.00 O ATOM 492 NE2 GLN P 30 -9.945 2.786 13.404 1.00 1.00 N ATOM 0 H GLN P 30 -6.983 1.011 16.371 1.00 1.00 H new ATOM 0 HA GLN P 30 -7.216 1.604 13.591 1.00 2.28 H new ATOM 0 HB2 GLN P 30 -6.371 3.194 16.040 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -6.382 3.897 14.435 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -8.810 2.504 15.664 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -8.540 4.231 15.776 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -10.323 2.089 14.045 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -10.351 2.898 12.475 1.00 1.00 H new ATOM 501 N ASN P 31 -4.234 1.142 14.844 1.00 1.00 N ATOM 502 CA ASN P 31 -2.826 1.021 14.476 1.00 2.05 C ATOM 503 C ASN P 31 -2.685 0.066 13.305 1.00 1.00 C ATOM 504 O ASN P 31 -1.915 0.308 12.383 1.00 1.00 O ATOM 505 CB ASN P 31 -1.992 0.510 15.652 1.00 1.00 C ATOM 506 CG ASN P 31 -1.881 1.586 16.723 1.00 1.00 C ATOM 507 OD1 ASN P 31 -2.101 2.767 16.450 1.00 1.00 O ATOM 508 ND2 ASN P 31 -1.546 1.248 17.938 1.00 1.00 N ATOM 0 H ASN P 31 -4.466 0.808 15.779 1.00 1.00 H new ATOM 0 HA ASN P 31 -2.460 2.009 14.196 1.00 2.05 H new ATOM 0 HB2 ASN P 31 -2.451 -0.385 16.071 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -0.998 0.226 15.306 1.00 1.00 H new ATOM 0 HD21 ASN P 31 -1.466 1.962 18.662 1.00 1.00 H new ATOM 0 HD22 ASN P 31 -1.364 0.270 18.163 1.00 1.00 H new ATOM 515 N LEU P 32 -3.440 -1.018 13.359 1.00 1.00 N ATOM 516 CA LEU P 32 -3.410 -2.014 12.309 1.00 2.15 C ATOM 517 C LEU P 32 -3.839 -1.349 11.025 1.00 1.00 C ATOM 518 O LEU P 32 -3.260 -1.590 9.977 1.00 1.00 O ATOM 519 CB LEU P 32 -4.350 -3.174 12.649 1.00 1.00 C ATOM 520 CG LEU P 32 -3.728 -4.071 13.737 1.00 1.00 C ATOM 521 CD1 LEU P 32 -4.809 -4.999 14.294 1.00 1.00 C ATOM 522 CD2 LEU P 32 -2.572 -4.925 13.158 1.00 1.00 C ATOM 0 H LEU P 32 -4.082 -1.228 14.123 1.00 1.00 H new ATOM 0 HA LEU P 32 -2.404 -2.421 12.204 1.00 2.15 H new ATOM 0 HB2 LEU P 32 -5.308 -2.785 12.994 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -4.549 -3.763 11.754 1.00 1.00 H new ATOM 0 HG LEU P 32 -3.326 -3.436 14.526 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -4.378 -5.638 15.065 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -5.614 -4.403 14.725 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -5.207 -5.618 13.490 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -2.150 -5.549 13.946 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -2.954 -5.560 12.358 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -1.798 -4.268 12.762 1.00 1.00 H new ATOM 534 N PHE P 33 -4.848 -0.508 11.111 1.00 1.00 N ATOM 535 CA PHE P 33 -5.325 0.191 9.922 1.00 2.53 C ATOM 536 C PHE P 33 -4.190 1.054 9.371 1.00 1.00 C ATOM 537 O PHE P 33 -3.911 1.049 8.171 1.00 1.00 O ATOM 538 CB PHE P 33 -6.531 1.072 10.272 1.00 1.00 C ATOM 539 CG PHE P 33 -7.081 1.698 9.009 1.00 1.00 C ATOM 540 CD1 PHE P 33 -7.770 0.906 8.084 1.00 1.00 C ATOM 541 CD2 PHE P 33 -6.904 3.069 8.761 1.00 1.00 C ATOM 542 CE1 PHE P 33 -8.280 1.475 6.914 1.00 1.00 C ATOM 543 CE2 PHE P 33 -7.416 3.638 7.587 1.00 1.00 C ATOM 544 CZ PHE P 33 -8.105 2.838 6.666 1.00 1.00 C ATOM 0 H PHE P 33 -5.350 -0.290 11.972 1.00 1.00 H new ATOM 0 HA PHE P 33 -5.637 -0.535 9.171 1.00 2.53 H new ATOM 0 HB2 PHE P 33 -7.301 0.475 10.760 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -6.235 1.849 10.977 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -7.908 -0.148 8.275 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -6.374 3.684 9.474 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -8.810 0.860 6.201 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -7.280 4.692 7.393 1.00 1.00 H new ATOM 0 HZ PHE P 33 -8.502 3.276 5.762 1.00 1.00 H new ATOM 554 N ILE P 34 -3.538 1.791 10.270 1.00 1.00 N ATOM 555 CA ILE P 34 -2.425 2.661 9.883 1.00 2.58 C ATOM 556 C ILE P 34 -1.243 1.831 9.357 1.00 1.00 C ATOM 557 O ILE P 34 -0.683 2.142 8.307 1.00 1.00 O ATOM 558 CB ILE P 34 -1.979 3.501 11.087 1.00 1.00 C ATOM 559 CG1 ILE P 34 -3.087 4.508 11.486 1.00 1.00 C ATOM 560 CG2 ILE P 34 -0.676 4.252 10.765 1.00 1.00 C ATOM 561 CD1 ILE P 34 -3.429 5.487 10.342 1.00 1.00 C ATOM 0 H ILE P 34 -3.759 1.804 11.266 1.00 1.00 H new ATOM 0 HA ILE P 34 -2.763 3.323 9.086 1.00 2.58 H new ATOM 0 HB ILE P 34 -1.798 2.828 11.926 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -3.985 3.961 11.774 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -2.764 5.073 12.360 1.00 1.00 H new ATOM 0 HG21 ILE P 34 -0.374 4.843 11.629 1.00 1.00 H new ATOM 0 HG22 ILE P 34 0.108 3.534 10.524 1.00 1.00 H new ATOM 0 HG23 ILE P 34 -0.838 4.912 9.913 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -4.210 6.172 10.671 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -2.539 6.055 10.071 1.00 1.00 H new ATOM 0 HD13 ILE P 34 -3.779 4.926 9.476 1.00 1.00 H new ATOM 573 N ASN P 35 -0.876 0.780 10.088 1.00 1.00 N ATOM 574 CA ASN P 35 0.227 -0.073 9.681 1.00 2.33 C ATOM 575 C ASN P 35 -0.152 -0.755 8.393 1.00 1.00 C ATOM 576 O ASN P 35 0.630 -0.831 7.445 1.00 1.00 O ATOM 577 CB ASN P 35 0.514 -1.115 10.761 1.00 1.00 C ATOM 578 CG ASN P 35 1.649 -2.031 10.322 1.00 1.00 C ATOM 579 OD1 ASN P 35 1.410 -3.178 9.940 1.00 1.00 O ATOM 580 ND2 ASN P 35 2.876 -1.592 10.352 1.00 1.00 N ATOM 0 H ASN P 35 -1.327 0.504 10.960 1.00 1.00 H new ATOM 0 HA ASN P 35 1.127 0.525 9.537 1.00 2.33 H new ATOM 0 HB2 ASN P 35 0.779 -0.618 11.694 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.383 -1.703 10.956 1.00 1.00 H new ATOM 0 HD21 ASN P 35 3.642 -2.198 10.059 1.00 1.00 H new ATOM 0 HD22 ASN P 35 3.070 -0.642 10.669 1.00 1.00 H new ATOM 587 N PHE P 36 -1.371 -1.244 8.380 1.00 1.00 N ATOM 588 CA PHE P 36 -1.889 -1.930 7.213 1.00 2.15 C ATOM 589 C PHE P 36 -1.828 -1.010 6.004 1.00 1.00 C ATOM 590 O PHE P 36 -1.743 -1.465 4.863 1.00 1.00 O ATOM 591 CB PHE P 36 -3.332 -2.396 7.446 1.00 1.00 C ATOM 592 CG PHE P 36 -3.874 -3.010 6.178 1.00 1.00 C ATOM 593 CD1 PHE P 36 -3.353 -4.225 5.724 1.00 1.00 C ATOM 594 CD2 PHE P 36 -4.892 -2.371 5.455 1.00 1.00 C ATOM 595 CE1 PHE P 36 -3.846 -4.804 4.552 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.388 -2.951 4.282 1.00 1.00 C ATOM 597 CZ PHE P 36 -4.865 -4.166 3.829 1.00 1.00 C ATOM 0 H PHE P 36 -2.023 -1.181 9.162 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.272 -2.810 7.029 1.00 2.15 H new ATOM 0 HB2 PHE P 36 -3.364 -3.123 8.257 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -3.953 -1.553 7.749 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -2.568 -4.717 6.280 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.293 -1.431 5.804 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -3.443 -5.743 4.203 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.174 -2.461 3.727 1.00 1.00 H new ATOM 0 HZ PHE P 36 -5.245 -4.613 2.923 1.00 1.00 H new ATOM 607 N ALA P 37 -1.853 0.293 6.263 1.00 1.00 N ATOM 608 CA ALA P 37 -1.782 1.268 5.194 1.00 1.93 C ATOM 609 C ALA P 37 -0.346 1.352 4.680 1.00 1.00 C ATOM 610 O ALA P 37 -0.112 1.522 3.483 1.00 1.00 O ATOM 611 CB ALA P 37 -2.238 2.639 5.699 1.00 1.00 C ATOM 0 H ALA P 37 -1.922 0.691 7.200 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.441 0.960 4.382 1.00 1.93 H new ATOM 0 HB1 ALA P 37 -2.180 3.364 4.887 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -3.267 2.572 6.054 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.592 2.959 6.517 1.00 1.00 H new ATOM 617 N LEU P 38 0.615 1.232 5.599 1.00 1.00 N ATOM 618 CA LEU P 38 2.025 1.297 5.226 1.00 2.23 C ATOM 619 C LEU P 38 2.356 0.165 4.259 1.00 1.00 C ATOM 620 O LEU P 38 3.097 0.362 3.295 1.00 1.00 O ATOM 621 CB LEU P 38 2.925 1.194 6.469 1.00 1.00 C ATOM 622 CG LEU P 38 2.772 2.431 7.367 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.557 2.210 8.662 1.00 1.00 C ATOM 624 CD2 LEU P 38 3.303 3.698 6.649 1.00 1.00 C ATOM 0 H LEU P 38 0.443 1.091 6.595 1.00 1.00 H new ATOM 0 HA LEU P 38 2.209 2.257 4.743 1.00 2.23 H new ATOM 0 HB2 LEU P 38 2.669 0.297 7.033 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.965 1.091 6.161 1.00 1.00 H new ATOM 0 HG LEU P 38 1.715 2.577 7.590 1.00 1.00 H new ATOM 0 HD11 LEU P 38 3.453 3.084 9.304 1.00 1.00 H new ATOM 0 HD12 LEU P 38 3.168 1.332 9.178 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.610 2.056 8.427 1.00 1.00 H new ATOM 0 HD21 LEU P 38 3.185 4.563 7.302 1.00 1.00 H new ATOM 0 HD22 LEU P 38 4.358 3.565 6.409 1.00 1.00 H new ATOM 0 HD23 LEU P 38 2.740 3.858 5.730 1.00 1.00 H new ATOM 636 N ILE P 39 1.802 -1.015 4.508 1.00 1.00 N ATOM 637 CA ILE P 39 2.054 -2.154 3.633 1.00 2.53 C ATOM 638 C ILE P 39 1.500 -1.830 2.248 1.00 1.00 C ATOM 639 O ILE P 39 2.133 -2.088 1.228 1.00 1.00 O ATOM 640 CB ILE P 39 1.367 -3.407 4.191 1.00 1.00 C ATOM 641 CG1 ILE P 39 2.059 -3.840 5.490 1.00 1.00 C ATOM 642 CG2 ILE P 39 1.446 -4.546 3.172 1.00 1.00 C ATOM 643 CD1 ILE P 39 1.204 -4.891 6.194 1.00 1.00 C ATOM 0 H ILE P 39 1.184 -1.208 5.296 1.00 1.00 H new ATOM 0 HA ILE P 39 3.125 -2.346 3.572 1.00 2.53 H new ATOM 0 HB ILE P 39 0.321 -3.176 4.392 1.00 1.00 H new ATOM 0 HG12 ILE P 39 3.047 -4.246 5.271 1.00 1.00 H new ATOM 0 HG13 ILE P 39 2.206 -2.979 6.142 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.956 -5.431 3.577 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.948 -4.245 2.250 1.00 1.00 H new ATOM 0 HG23 ILE P 39 2.491 -4.774 2.962 1.00 1.00 H new ATOM 0 HD11 ILE P 39 1.694 -5.200 7.117 1.00 1.00 H new ATOM 0 HD12 ILE P 39 0.226 -4.469 6.426 1.00 1.00 H new ATOM 0 HD13 ILE P 39 1.080 -5.756 5.542 1.00 1.00 H new ATOM 655 N LEU P 40 0.303 -1.252 2.241 1.00 1.00 N ATOM 656 CA LEU P 40 -0.335 -0.885 0.981 1.00 2.38 C ATOM 657 C LEU P 40 0.560 0.131 0.264 1.00 1.00 C ATOM 658 O LEU P 40 0.807 0.029 -0.941 1.00 1.00 O ATOM 659 CB LEU P 40 -1.725 -0.275 1.227 1.00 1.00 C ATOM 660 CG LEU P 40 -2.759 -1.374 1.539 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.028 -0.722 2.118 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.122 -2.173 0.263 1.00 1.00 C ATOM 0 H LEU P 40 -0.237 -1.031 3.077 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.465 -1.777 0.368 1.00 2.38 H new ATOM 0 HB2 LEU P 40 -1.676 0.430 2.057 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.040 0.288 0.349 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.328 -2.065 2.263 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -4.764 -1.494 2.341 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -3.776 -0.185 3.033 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -4.443 -0.024 1.391 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -3.853 -2.942 0.511 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.544 -1.498 -0.481 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.225 -2.642 -0.140 1.00 1.00 H new ATOM 674 N ILE P 41 1.040 1.108 1.024 1.00 1.00 N ATOM 675 CA ILE P 41 1.904 2.137 0.474 1.00 2.09 C ATOM 676 C ILE P 41 3.214 1.520 -0.040 1.00 1.00 C ATOM 677 O ILE P 41 3.650 1.824 -1.145 1.00 1.00 O ATOM 678 CB ILE P 41 2.173 3.188 1.556 1.00 1.00 C ATOM 679 CG1 ILE P 41 0.880 3.970 1.834 1.00 1.00 C ATOM 680 CG2 ILE P 41 3.250 4.153 1.088 1.00 1.00 C ATOM 681 CD1 ILE P 41 1.028 4.785 3.117 1.00 1.00 C ATOM 0 H ILE P 41 0.844 1.207 2.020 1.00 1.00 H new ATOM 0 HA ILE P 41 1.415 2.616 -0.374 1.00 2.09 H new ATOM 0 HB ILE P 41 2.509 2.689 2.465 1.00 1.00 H new ATOM 0 HG12 ILE P 41 0.658 4.632 0.997 1.00 1.00 H new ATOM 0 HG13 ILE P 41 0.041 3.280 1.926 1.00 1.00 H new ATOM 0 HG21 ILE P 41 3.434 4.896 1.864 1.00 1.00 H new ATOM 0 HG22 ILE P 41 4.169 3.603 0.887 1.00 1.00 H new ATOM 0 HG23 ILE P 41 2.920 4.653 0.177 1.00 1.00 H new ATOM 0 HD11 ILE P 41 0.107 5.336 3.306 1.00 1.00 H new ATOM 0 HD12 ILE P 41 1.228 4.115 3.953 1.00 1.00 H new ATOM 0 HD13 ILE P 41 1.855 5.487 3.009 1.00 1.00 H new ATOM 693 N PHE P 42 3.844 0.659 0.762 1.00 1.00 N ATOM 694 CA PHE P 42 5.103 0.031 0.346 1.00 2.37 C ATOM 695 C PHE P 42 4.929 -0.731 -0.965 1.00 1.00 C ATOM 696 O PHE P 42 5.745 -0.615 -1.878 1.00 1.00 O ATOM 697 CB PHE P 42 5.600 -0.929 1.429 1.00 1.00 C ATOM 698 CG PHE P 42 6.942 -1.493 1.019 1.00 1.00 C ATOM 699 CD1 PHE P 42 8.084 -0.687 1.089 1.00 1.00 C ATOM 700 CD2 PHE P 42 7.052 -2.819 0.573 1.00 1.00 C ATOM 701 CE1 PHE P 42 9.331 -1.201 0.716 1.00 1.00 C ATOM 702 CE2 PHE P 42 8.300 -3.332 0.198 1.00 1.00 C ATOM 703 CZ PHE P 42 9.440 -2.524 0.270 1.00 1.00 C ATOM 0 H PHE P 42 3.512 0.383 1.686 1.00 1.00 H new ATOM 0 HA PHE P 42 5.837 0.823 0.196 1.00 2.37 H new ATOM 0 HB2 PHE P 42 5.688 -0.407 2.382 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.882 -1.736 1.573 1.00 1.00 H new ATOM 0 HD1 PHE P 42 8.003 0.334 1.432 1.00 1.00 H new ATOM 0 HD2 PHE P 42 6.173 -3.445 0.519 1.00 1.00 H new ATOM 0 HE1 PHE P 42 10.210 -0.577 0.772 1.00 1.00 H new ATOM 0 HE2 PHE P 42 8.383 -4.352 -0.147 1.00 1.00 H new ATOM 0 HZ PHE P 42 10.403 -2.920 -0.018 1.00 1.00 H new ATOM 713 N LEU P 43 3.866 -1.508 -1.039 1.00 1.00 N ATOM 714 CA LEU P 43 3.578 -2.295 -2.234 1.00 2.39 C ATOM 715 C LEU P 43 3.366 -1.375 -3.425 1.00 1.00 C ATOM 716 O LEU P 43 3.780 -1.683 -4.543 1.00 1.00 O ATOM 717 CB LEU P 43 2.333 -3.159 -2.007 1.00 1.00 C ATOM 718 CG LEU P 43 2.620 -4.240 -0.957 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.294 -4.882 -0.527 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.559 -5.332 -1.530 1.00 1.00 C ATOM 0 H LEU P 43 3.184 -1.615 -0.288 1.00 1.00 H new ATOM 0 HA LEU P 43 4.426 -2.948 -2.440 1.00 2.39 H new ATOM 0 HB2 LEU P 43 1.503 -2.534 -1.678 1.00 1.00 H new ATOM 0 HB3 LEU P 43 2.029 -3.625 -2.945 1.00 1.00 H new ATOM 0 HG LEU P 43 3.112 -3.778 -0.101 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.488 -5.652 0.220 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.642 -4.120 -0.101 1.00 1.00 H new ATOM 0 HD13 LEU P 43 0.809 -5.331 -1.394 1.00 1.00 H new ATOM 0 HD21 LEU P 43 3.748 -6.087 -0.767 1.00 1.00 H new ATOM 0 HD22 LEU P 43 3.088 -5.800 -2.395 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.503 -4.878 -1.832 1.00 1.00 H new ATOM 732 N LEU P 44 2.720 -0.242 -3.179 1.00 1.00 N ATOM 733 CA LEU P 44 2.458 0.725 -4.234 1.00 2.18 C ATOM 734 C LEU P 44 3.778 1.289 -4.758 1.00 1.00 C ATOM 735 O LEU P 44 3.934 1.511 -5.958 1.00 1.00 O ATOM 736 CB LEU P 44 1.580 1.869 -3.697 1.00 1.00 C ATOM 737 CG LEU P 44 0.099 1.442 -3.621 1.00 1.00 C ATOM 738 CD1 LEU P 44 -0.672 2.463 -2.764 1.00 1.00 C ATOM 739 CD2 LEU P 44 -0.530 1.381 -5.042 1.00 1.00 C ATOM 0 H LEU P 44 2.369 0.028 -2.260 1.00 1.00 H new ATOM 0 HA LEU P 44 1.931 0.227 -5.048 1.00 2.18 H new ATOM 0 HB2 LEU P 44 1.928 2.165 -2.707 1.00 1.00 H new ATOM 0 HB3 LEU P 44 1.678 2.741 -4.343 1.00 1.00 H new ATOM 0 HG LEU P 44 0.039 0.450 -3.173 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -1.720 2.170 -2.704 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -0.246 2.492 -1.761 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -0.597 3.451 -3.219 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -1.574 1.078 -4.965 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -0.471 2.364 -5.509 1.00 1.00 H new ATOM 0 HD23 LEU P 44 0.014 0.658 -5.650 1.00 1.00 H new ATOM 751 N LEU P 45 4.726 1.525 -3.851 1.00 1.00 N ATOM 752 CA LEU P 45 6.024 2.072 -4.244 1.00 2.26 C ATOM 753 C LEU P 45 6.778 1.105 -5.154 1.00 1.00 C ATOM 754 O LEU P 45 7.404 1.519 -6.131 1.00 1.00 O ATOM 755 CB LEU P 45 6.866 2.397 -3.001 1.00 1.00 C ATOM 756 CG LEU P 45 6.249 3.573 -2.224 1.00 1.00 C ATOM 757 CD1 LEU P 45 6.981 3.725 -0.883 1.00 1.00 C ATOM 758 CD2 LEU P 45 6.384 4.893 -3.034 1.00 1.00 C ATOM 0 H LEU P 45 4.622 1.349 -2.852 1.00 1.00 H new ATOM 0 HA LEU P 45 5.846 2.992 -4.801 1.00 2.26 H new ATOM 0 HB2 LEU P 45 6.927 1.520 -2.357 1.00 1.00 H new ATOM 0 HB3 LEU P 45 7.885 2.645 -3.299 1.00 1.00 H new ATOM 0 HG LEU P 45 5.191 3.371 -2.057 1.00 1.00 H new ATOM 0 HD11 LEU P 45 6.550 4.557 -0.325 1.00 1.00 H new ATOM 0 HD12 LEU P 45 6.876 2.807 -0.305 1.00 1.00 H new ATOM 0 HD13 LEU P 45 8.038 3.919 -1.065 1.00 1.00 H new ATOM 0 HD21 LEU P 45 5.942 5.714 -2.469 1.00 1.00 H new ATOM 0 HD22 LEU P 45 7.438 5.103 -3.214 1.00 1.00 H new ATOM 0 HD23 LEU P 45 5.866 4.789 -3.988 1.00 1.00 H new ATOM 770 N ILE P 46 6.718 -0.178 -4.837 1.00 1.00 N ATOM 771 CA ILE P 46 7.392 -1.179 -5.634 1.00 2.10 C ATOM 772 C ILE P 46 6.797 -1.166 -7.035 1.00 1.00 C ATOM 773 O ILE P 46 7.513 -1.235 -8.036 1.00 1.00 O ATOM 774 CB ILE P 46 7.196 -2.549 -4.977 1.00 1.00 C ATOM 775 CG1 ILE P 46 7.938 -2.612 -3.616 1.00 1.00 C ATOM 776 CG2 ILE P 46 7.703 -3.647 -5.900 1.00 1.00 C ATOM 777 CD1 ILE P 46 9.451 -2.359 -3.770 1.00 1.00 C ATOM 0 H ILE P 46 6.209 -0.546 -4.034 1.00 1.00 H new ATOM 0 HA ILE P 46 8.460 -0.969 -5.699 1.00 2.10 H new ATOM 0 HB ILE P 46 6.131 -2.699 -4.798 1.00 1.00 H new ATOM 0 HG12 ILE P 46 7.514 -1.872 -2.937 1.00 1.00 H new ATOM 0 HG13 ILE P 46 7.778 -3.590 -3.161 1.00 1.00 H new ATOM 0 HG21 ILE P 46 7.559 -4.617 -5.424 1.00 1.00 H new ATOM 0 HG22 ILE P 46 7.150 -3.618 -6.839 1.00 1.00 H new ATOM 0 HG23 ILE P 46 8.764 -3.494 -6.099 1.00 1.00 H new ATOM 0 HD11 ILE P 46 9.930 -2.412 -2.792 1.00 1.00 H new ATOM 0 HD12 ILE P 46 9.881 -3.115 -4.427 1.00 1.00 H new ATOM 0 HD13 ILE P 46 9.613 -1.370 -4.200 1.00 1.00 H new ATOM 789 N ALA P 47 5.477 -1.071 -7.081 1.00 1.00 N ATOM 790 CA ALA P 47 4.771 -1.040 -8.349 1.00 2.23 C ATOM 791 C ALA P 47 5.391 0.032 -9.243 1.00 1.00 C ATOM 792 O ALA P 47 5.659 -0.201 -10.422 1.00 1.00 O ATOM 793 CB ALA P 47 3.292 -0.730 -8.125 1.00 1.00 C ATOM 0 H ALA P 47 4.877 -1.014 -6.258 1.00 1.00 H new ATOM 0 HA ALA P 47 4.855 -2.015 -8.829 1.00 2.23 H new ATOM 0 HB1 ALA P 47 2.775 -0.710 -9.084 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.851 -1.499 -7.491 1.00 1.00 H new ATOM 0 HB3 ALA P 47 3.193 0.241 -7.639 1.00 1.00 H new ATOM 799 N ILE P 48 5.605 1.208 -8.655 1.00 1.00 N ATOM 800 CA ILE P 48 6.186 2.338 -9.374 1.00 2.53 C ATOM 801 C ILE P 48 7.606 2.007 -9.840 1.00 1.00 C ATOM 802 O ILE P 48 7.970 2.289 -10.978 1.00 1.00 O ATOM 803 CB ILE P 48 6.223 3.567 -8.451 1.00 1.00 C ATOM 804 CG1 ILE P 48 4.786 4.016 -8.096 1.00 1.00 C ATOM 805 CG2 ILE P 48 6.978 4.717 -9.125 1.00 1.00 C ATOM 806 CD1 ILE P 48 3.963 4.379 -9.344 1.00 1.00 C ATOM 0 H ILE P 48 5.383 1.402 -7.679 1.00 1.00 H new ATOM 0 HA ILE P 48 5.571 2.550 -10.249 1.00 2.53 H new ATOM 0 HB ILE P 48 6.744 3.294 -7.533 1.00 1.00 H new ATOM 0 HG12 ILE P 48 4.282 3.218 -7.551 1.00 1.00 H new ATOM 0 HG13 ILE P 48 4.831 4.878 -7.430 1.00 1.00 H new ATOM 0 HG21 ILE P 48 6.996 5.580 -8.459 1.00 1.00 H new ATOM 0 HG22 ILE P 48 8.000 4.404 -9.341 1.00 1.00 H new ATOM 0 HG23 ILE P 48 6.477 4.986 -10.055 1.00 1.00 H new ATOM 0 HD11 ILE P 48 2.962 4.688 -9.043 1.00 1.00 H new ATOM 0 HD12 ILE P 48 4.450 5.196 -9.876 1.00 1.00 H new ATOM 0 HD13 ILE P 48 3.893 3.511 -9.999 1.00 1.00 H new ATOM 818 N ILE P 49 8.398 1.410 -8.959 1.00 1.00 N ATOM 819 CA ILE P 49 9.772 1.051 -9.309 1.00 1.00 C ATOM 820 C ILE P 49 9.792 -0.006 -10.407 1.00 1.00 C ATOM 821 O ILE P 49 10.554 0.092 -11.365 1.00 1.00 O ATOM 822 CB ILE P 49 10.501 0.507 -8.076 1.00 1.00 C ATOM 823 CG1 ILE P 49 10.656 1.610 -7.000 1.00 1.00 C ATOM 824 CG2 ILE P 49 11.887 -0.048 -8.463 1.00 1.00 C ATOM 825 CD1 ILE P 49 11.447 2.818 -7.531 1.00 1.00 C ATOM 0 H ILE P 49 8.121 1.165 -8.008 1.00 1.00 H new ATOM 0 HA ILE P 49 10.275 1.948 -9.670 1.00 1.00 H new ATOM 0 HB ILE P 49 9.902 -0.304 -7.662 1.00 1.00 H new ATOM 0 HG12 ILE P 49 9.670 1.937 -6.670 1.00 1.00 H new ATOM 0 HG13 ILE P 49 11.163 1.198 -6.128 1.00 1.00 H new ATOM 0 HG21 ILE P 49 12.388 -0.429 -7.573 1.00 1.00 H new ATOM 0 HG22 ILE P 49 11.767 -0.855 -9.186 1.00 1.00 H new ATOM 0 HG23 ILE P 49 12.487 0.748 -8.904 1.00 1.00 H new ATOM 0 HD11 ILE P 49 11.534 3.569 -6.746 1.00 1.00 H new ATOM 0 HD12 ILE P 49 12.442 2.495 -7.836 1.00 1.00 H new ATOM 0 HD13 ILE P 49 10.926 3.246 -8.387 1.00 1.00 H new ATOM 837 N VAL P 50 8.954 -1.014 -10.259 1.00 1.00 N ATOM 838 CA VAL P 50 8.895 -2.079 -11.248 1.00 1.00 C ATOM 839 C VAL P 50 8.441 -1.515 -12.581 1.00 1.00 C ATOM 840 O VAL P 50 9.024 -1.803 -13.624 1.00 1.00 O ATOM 841 CB VAL P 50 7.939 -3.181 -10.778 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.746 -4.215 -11.894 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.540 -3.866 -9.550 1.00 1.00 C ATOM 0 H VAL P 50 8.311 -1.120 -9.474 1.00 1.00 H new ATOM 0 HA VAL P 50 9.888 -2.512 -11.369 1.00 1.00 H new ATOM 0 HB VAL P 50 6.973 -2.744 -10.527 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.066 -4.995 -11.553 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.327 -3.727 -12.774 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.708 -4.659 -12.149 1.00 1.00 H new ATOM 0 HG21 VAL P 50 7.868 -4.652 -9.207 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.504 -4.302 -9.812 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.677 -3.133 -8.755 1.00 1.00 H new ATOM 853 N MET P 51 7.394 -0.700 -12.539 1.00 1.00 N ATOM 854 CA MET P 51 6.867 -0.092 -13.739 1.00 1.00 C ATOM 855 C MET P 51 7.838 0.965 -14.270 1.00 1.00 C ATOM 856 O MET P 51 7.844 1.254 -15.462 1.00 1.00 O ATOM 857 CB MET P 51 5.502 0.518 -13.412 1.00 1.00 C ATOM 858 CG MET P 51 4.394 -0.590 -13.385 1.00 1.00 C ATOM 859 SD MET P 51 3.312 -0.368 -11.942 1.00 1.00 S ATOM 860 CE MET P 51 3.023 1.408 -12.097 1.00 1.00 C ATOM 0 H MET P 51 6.898 -0.449 -11.684 1.00 1.00 H new ATOM 0 HA MET P 51 6.747 -0.842 -14.521 1.00 1.00 H new ATOM 0 HB2 MET P 51 5.545 1.021 -12.446 1.00 1.00 H new ATOM 0 HB3 MET P 51 5.249 1.275 -14.154 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.804 -0.546 -14.300 1.00 1.00 H new ATOM 0 HG3 MET P 51 4.857 -1.576 -13.352 1.00 1.00 H new ATOM 0 HE1 MET P 51 2.039 1.653 -11.696 1.00 1.00 H new ATOM 0 HE2 MET P 51 3.787 1.951 -11.540 1.00 1.00 H new ATOM 0 HE3 MET P 51 3.068 1.694 -13.148 1.00 1.00 H new ATOM 870 N LEU P 52 8.655 1.546 -13.384 1.00 1.00 N ATOM 871 CA LEU P 52 9.611 2.572 -13.814 1.00 1.00 C ATOM 872 C LEU P 52 10.575 2.019 -14.854 1.00 1.00 C ATOM 873 O LEU P 52 10.903 2.696 -15.831 1.00 1.00 O ATOM 874 CB LEU P 52 10.397 3.108 -12.604 1.00 1.00 C ATOM 875 CG LEU P 52 11.437 4.161 -13.038 1.00 1.00 C ATOM 876 CD1 LEU P 52 10.758 5.311 -13.801 1.00 1.00 C ATOM 877 CD2 LEU P 52 12.132 4.715 -11.787 1.00 1.00 C ATOM 0 H LEU P 52 8.675 1.330 -12.387 1.00 1.00 H new ATOM 0 HA LEU P 52 9.048 3.389 -14.267 1.00 1.00 H new ATOM 0 HB2 LEU P 52 9.707 3.549 -11.885 1.00 1.00 H new ATOM 0 HB3 LEU P 52 10.899 2.283 -12.099 1.00 1.00 H new ATOM 0 HG LEU P 52 12.166 3.692 -13.699 1.00 1.00 H new ATOM 0 HD11 LEU P 52 11.508 6.043 -14.098 1.00 1.00 H new ATOM 0 HD12 LEU P 52 10.264 4.917 -14.689 1.00 1.00 H new ATOM 0 HD13 LEU P 52 10.020 5.789 -13.157 1.00 1.00 H new ATOM 0 HD21 LEU P 52 12.870 5.461 -12.081 1.00 1.00 H new ATOM 0 HD22 LEU P 52 11.391 5.175 -11.133 1.00 1.00 H new ATOM 0 HD23 LEU P 52 12.629 3.902 -11.257 1.00 1.00 H new ATOM 889 N LEU P 53 11.032 0.792 -14.650 1.00 1.00 N ATOM 890 CA LEU P 53 11.959 0.169 -15.584 1.00 1.00 C ATOM 891 C LEU P 53 11.195 -0.409 -16.772 1.00 1.00 C ATOM 892 O LEU P 53 11.618 -1.433 -17.280 1.00 1.00 O ATOM 893 CB LEU P 53 12.738 -0.952 -14.889 1.00 1.00 C ATOM 894 CG LEU P 53 13.508 -0.403 -13.681 1.00 1.00 C ATOM 895 CD1 LEU P 53 14.169 -1.571 -12.941 1.00 1.00 C ATOM 896 CD2 LEU P 53 14.594 0.597 -14.144 1.00 1.00 C ATOM 897 OXT LEU P 53 10.196 0.178 -17.159 1.00 1.00 O ATOM 0 H LEU P 53 10.778 0.211 -13.851 1.00 1.00 H new ATOM 0 HA LEU P 53 12.658 0.928 -15.936 1.00 1.00 H new ATOM 0 HB2 LEU P 53 12.051 -1.733 -14.565 1.00 1.00 H new ATOM 0 HB3 LEU P 53 13.433 -1.410 -15.593 1.00 1.00 H new ATOM 0 HG LEU P 53 12.816 0.117 -13.019 1.00 1.00 H new ATOM 0 HD11 LEU P 53 14.719 -1.192 -12.080 1.00 1.00 H new ATOM 0 HD12 LEU P 53 13.402 -2.268 -12.603 1.00 1.00 H new ATOM 0 HD13 LEU P 53 14.856 -2.085 -13.613 1.00 1.00 H new ATOM 0 HD21 LEU P 53 15.132 0.978 -13.276 1.00 1.00 H new ATOM 0 HD22 LEU P 53 15.293 0.092 -14.811 1.00 1.00 H new ATOM 0 HD23 LEU P 53 14.123 1.426 -14.672 1.00 1.00 H new