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= -0.185 X(o=-0.18,f=-0.18) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 80:sc= 1.15 USER MOD Single : P 11 SER OG : rot -5:sc= 0.201 USER MOD Single : P 17 SER OG : rot 69:sc= -0.489 USER MOD Single : P 18 THR OG1 : rot -57:sc= 0.71 USER MOD Single : P 21 MET CE :methyl -145:sc= -0.909 (180deg=-2.06) USER MOD Single : P 23 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : P 24 GLN : amide:sc= -0.0295 K(o=-0.03,f=-2!) USER MOD Single : P 27 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.42) USER MOD Single : P 28 ASN : amide:sc= -0.0211 K(o=-0.021,f=-1.3) USER MOD Single : P 30 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.48) USER MOD Single : P 31 ASN : amide:sc= -2.77! C(o=-2.8!,f=-5!) USER MOD Single : P 35 ASN : amide:sc= -1.73! C(o=-1.7!,f=-4.1!) USER MOD Single : P 51 MET CE :methyl -168:sc= -1.21 (180deg=-1.59) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU P 3 -35.794 11.898 14.826 1.00 1.00 N ATOM 31 CA GLU P 3 -34.742 11.997 13.823 1.00 1.00 C ATOM 32 C GLU P 3 -33.463 11.342 14.317 1.00 1.00 C ATOM 33 O GLU P 3 -32.902 10.475 13.645 1.00 1.00 O ATOM 34 CB GLU P 3 -34.477 13.468 13.500 1.00 1.00 C ATOM 35 CG GLU P 3 -35.697 14.055 12.788 1.00 1.00 C ATOM 36 CD GLU P 3 -35.485 15.542 12.532 1.00 1.00 C ATOM 37 OE1 GLU P 3 -34.435 16.042 12.899 1.00 1.00 O ATOM 38 OE2 GLU P 3 -36.376 16.159 11.971 1.00 1.00 O ATOM 0 HA GLU P 3 -35.071 11.478 12.923 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -34.274 14.023 14.416 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -33.593 13.560 12.869 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -35.863 13.535 11.844 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -36.590 13.906 13.395 1.00 1.00 H new ATOM 45 N LYS P 4 -33.002 11.759 15.493 1.00 1.00 N ATOM 46 CA LYS P 4 -31.788 11.213 16.076 1.00 1.00 C ATOM 47 C LYS P 4 -30.609 11.303 15.099 1.00 1.00 C ATOM 48 O LYS P 4 -29.490 10.913 15.430 1.00 1.00 O ATOM 49 CB LYS P 4 -32.049 9.762 16.467 1.00 1.00 C ATOM 50 CG LYS P 4 -32.973 9.674 17.700 1.00 1.00 C ATOM 51 CD LYS P 4 -32.170 9.822 19.002 1.00 1.00 C ATOM 52 CE LYS P 4 -33.120 9.693 20.196 1.00 1.00 C ATOM 53 NZ LYS P 4 -32.355 9.876 21.463 1.00 1.00 N ATOM 0 H LYS P 4 -33.455 12.476 16.060 1.00 1.00 H new ATOM 0 HA LYS P 4 -31.520 11.796 16.957 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -32.504 9.233 15.630 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -31.103 9.265 16.682 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -33.732 10.454 17.646 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -33.497 8.718 17.699 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -31.395 9.057 19.054 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -31.667 10.788 19.025 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -33.912 10.439 20.126 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -33.601 8.715 20.187 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -33.000 9.788 22.274 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -31.615 9.149 21.530 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -31.916 10.819 21.470 1.00 1.00 H new ATOM 67 N VAL P 5 -30.867 11.828 13.901 1.00 1.00 N ATOM 68 CA VAL P 5 -29.823 11.968 12.904 1.00 1.00 C ATOM 69 C VAL P 5 -28.931 13.125 13.304 1.00 1.00 C ATOM 70 O VAL P 5 -27.716 13.101 13.112 1.00 1.00 O ATOM 71 CB VAL P 5 -30.438 12.205 11.509 1.00 1.00 C ATOM 72 CG1 VAL P 5 -30.943 13.652 11.362 1.00 1.00 C ATOM 73 CG2 VAL P 5 -29.383 11.918 10.431 1.00 1.00 C ATOM 0 H VAL P 5 -31.785 12.159 13.605 1.00 1.00 H new ATOM 0 HA VAL P 5 -29.233 11.053 12.851 1.00 1.00 H new ATOM 0 HB VAL P 5 -31.288 11.533 11.389 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -31.371 13.789 10.369 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -31.705 13.850 12.116 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -30.111 14.343 11.497 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -29.816 12.085 9.445 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -28.530 12.583 10.570 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -29.053 10.882 10.512 1.00 1.00 H new ATOM 83 N GLN P 6 -29.572 14.138 13.866 1.00 1.00 N ATOM 84 CA GLN P 6 -28.869 15.329 14.310 1.00 1.00 C ATOM 85 C GLN P 6 -27.918 15.003 15.458 1.00 1.00 C ATOM 86 O GLN P 6 -26.781 15.473 15.482 1.00 1.00 O ATOM 87 CB GLN P 6 -29.878 16.395 14.752 1.00 1.00 C ATOM 88 CG GLN P 6 -29.151 17.713 15.052 1.00 1.00 C ATOM 89 CD GLN P 6 -28.560 18.292 13.768 1.00 1.00 C ATOM 90 OE1 GLN P 6 -29.297 18.732 12.885 1.00 1.00 O ATOM 91 NE2 GLN P 6 -27.266 18.311 13.610 1.00 1.00 N ATOM 0 H GLN P 6 -30.579 14.158 14.025 1.00 1.00 H new ATOM 0 HA GLN P 6 -28.280 15.712 13.477 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -30.622 16.550 13.970 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -30.413 16.055 15.639 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -29.845 18.427 15.496 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -28.359 17.542 15.781 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -26.657 17.946 14.343 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -26.862 18.691 12.754 1.00 1.00 H new ATOM 100 N TYR P 7 -28.385 14.201 16.407 1.00 1.00 N ATOM 101 CA TYR P 7 -27.553 13.832 17.547 1.00 1.00 C ATOM 102 C TYR P 7 -26.308 13.096 17.065 1.00 1.00 C ATOM 103 O TYR P 7 -25.185 13.454 17.422 1.00 1.00 O ATOM 104 CB TYR P 7 -28.345 12.943 18.512 1.00 1.00 C ATOM 105 CG TYR P 7 -27.445 12.474 19.634 1.00 1.00 C ATOM 106 CD1 TYR P 7 -27.143 13.333 20.699 1.00 1.00 C ATOM 107 CD2 TYR P 7 -26.913 11.177 19.612 1.00 1.00 C ATOM 108 CE1 TYR P 7 -26.310 12.894 21.738 1.00 1.00 C ATOM 109 CE2 TYR P 7 -26.082 10.742 20.649 1.00 1.00 C ATOM 110 CZ TYR P 7 -25.781 11.599 21.711 1.00 1.00 C ATOM 111 OH TYR P 7 -24.961 11.165 22.732 1.00 1.00 O ATOM 0 H TYR P 7 -29.322 13.798 16.412 1.00 1.00 H new ATOM 0 HA TYR P 7 -27.250 14.739 18.071 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -29.191 13.497 18.920 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -28.753 12.085 17.978 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -27.552 14.333 20.720 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -27.145 10.513 18.793 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -26.077 13.556 22.559 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -25.672 9.743 20.629 1.00 1.00 H new ATOM 0 HH TYR P 7 -24.682 10.242 22.558 1.00 1.00 H new ATOM 121 N LEU P 8 -26.518 12.066 16.253 1.00 1.00 N ATOM 122 CA LEU P 8 -25.404 11.287 15.729 1.00 1.00 C ATOM 123 C LEU P 8 -24.369 12.226 15.107 1.00 1.00 C ATOM 124 O LEU P 8 -23.166 12.014 15.242 1.00 1.00 O ATOM 125 CB LEU P 8 -25.901 10.296 14.670 1.00 1.00 C ATOM 126 CG LEU P 8 -26.757 9.194 15.315 1.00 1.00 C ATOM 127 CD1 LEU P 8 -27.444 8.385 14.208 1.00 1.00 C ATOM 128 CD2 LEU P 8 -25.879 8.256 16.181 1.00 1.00 C ATOM 0 H LEU P 8 -27.439 11.754 15.946 1.00 1.00 H new ATOM 0 HA LEU P 8 -24.947 10.730 16.547 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -26.486 10.824 13.917 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -25.050 9.848 14.156 1.00 1.00 H new ATOM 0 HG LEU P 8 -27.505 9.655 15.960 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -28.054 7.600 14.656 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -28.079 9.044 13.616 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -26.688 7.934 13.564 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -26.504 7.483 16.629 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -25.118 7.790 15.555 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -25.397 8.834 16.969 1.00 1.00 H new ATOM 140 N THR P 9 -24.845 13.267 14.426 1.00 1.00 N ATOM 141 CA THR P 9 -23.942 14.227 13.793 1.00 1.00 C ATOM 142 C THR P 9 -23.103 14.951 14.850 1.00 1.00 C ATOM 143 O THR P 9 -21.887 15.089 14.707 1.00 1.00 O ATOM 144 CB THR P 9 -24.745 15.249 12.979 1.00 1.00 C ATOM 145 OG1 THR P 9 -25.665 14.562 12.141 1.00 1.00 O ATOM 146 CG2 THR P 9 -23.798 16.088 12.122 1.00 1.00 C ATOM 0 H THR P 9 -25.837 13.466 14.299 1.00 1.00 H new ATOM 0 HA THR P 9 -23.273 13.683 13.126 1.00 1.00 H new ATOM 0 HB THR P 9 -25.288 15.907 13.657 1.00 1.00 H new ATOM 0 HG1 THR P 9 -26.451 14.299 12.664 1.00 1.00 H new ATOM 0 HG21 THR P 9 -24.374 16.812 11.546 1.00 1.00 H new ATOM 0 HG22 THR P 9 -23.094 16.614 12.766 1.00 1.00 H new ATOM 0 HG23 THR P 9 -23.250 15.437 11.441 1.00 1.00 H new ATOM 154 N ARG P 10 -23.752 15.414 15.913 1.00 1.00 N ATOM 155 CA ARG P 10 -23.030 16.114 16.967 1.00 1.00 C ATOM 156 C ARG P 10 -21.996 15.181 17.576 1.00 1.00 C ATOM 157 O ARG P 10 -20.856 15.563 17.812 1.00 1.00 O ATOM 158 CB ARG P 10 -24.003 16.598 18.043 1.00 1.00 C ATOM 159 CG ARG P 10 -23.245 17.424 19.090 1.00 1.00 C ATOM 160 CD ARG P 10 -24.232 17.958 20.132 1.00 1.00 C ATOM 161 NE ARG P 10 -23.560 18.871 21.054 1.00 1.00 N ATOM 162 CZ ARG P 10 -22.932 18.422 22.137 1.00 1.00 C ATOM 163 NH1 ARG P 10 -22.911 17.143 22.396 1.00 1.00 N ATOM 164 NH2 ARG P 10 -22.341 19.261 22.942 1.00 1.00 N ATOM 0 H ARG P 10 -24.756 15.320 16.066 1.00 1.00 H new ATOM 0 HA ARG P 10 -22.526 16.982 16.542 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -24.791 17.201 17.591 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -24.488 15.746 18.519 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -22.486 16.809 19.574 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -22.725 18.252 18.608 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -25.052 18.474 19.633 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -24.668 17.128 20.687 1.00 1.00 H new ATOM 0 HE ARG P 10 -23.573 19.873 20.863 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -23.376 16.488 21.768 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -22.429 16.799 23.227 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -22.361 20.261 22.741 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -21.859 18.917 23.773 1.00 1.00 H new ATOM 178 N SER P 11 -22.404 13.951 17.822 1.00 1.00 N ATOM 179 CA SER P 11 -21.500 12.969 18.398 1.00 1.00 C ATOM 180 C SER P 11 -20.395 12.643 17.406 1.00 1.00 C ATOM 181 O SER P 11 -19.313 12.231 17.780 1.00 1.00 O ATOM 182 CB SER P 11 -22.265 11.700 18.743 1.00 1.00 C ATOM 183 OG SER P 11 -22.874 11.190 17.563 1.00 1.00 O ATOM 0 H SER P 11 -23.346 13.608 17.635 1.00 1.00 H new ATOM 0 HA SER P 11 -21.060 13.381 19.306 1.00 1.00 H new ATOM 0 HB2 SER P 11 -21.590 10.958 19.169 1.00 1.00 H new ATOM 0 HB3 SER P 11 -23.023 11.911 19.497 1.00 1.00 H new ATOM 0 HG SER P 11 -22.731 11.817 16.824 1.00 1.00 H new ATOM 189 N ALA P 12 -20.704 12.846 16.139 1.00 1.00 N ATOM 190 CA ALA P 12 -19.748 12.578 15.081 1.00 1.00 C ATOM 191 C ALA P 12 -18.538 13.479 15.231 1.00 1.00 C ATOM 192 O ALA P 12 -17.402 13.081 14.964 1.00 1.00 O ATOM 193 CB ALA P 12 -20.387 12.783 13.701 1.00 1.00 C ATOM 0 H ALA P 12 -21.607 13.195 15.818 1.00 1.00 H new ATOM 0 HA ALA P 12 -19.432 11.538 15.162 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -19.650 12.576 12.925 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -21.234 12.106 13.588 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -20.732 13.813 13.609 1.00 1.00 H new ATOM 199 N ILE P 13 -18.799 14.708 15.657 1.00 1.00 N ATOM 200 CA ILE P 13 -17.732 15.695 15.845 1.00 1.00 C ATOM 201 C ILE P 13 -16.962 15.430 17.143 1.00 1.00 C ATOM 202 O ILE P 13 -15.760 15.683 17.221 1.00 1.00 O ATOM 203 CB ILE P 13 -18.324 17.141 15.784 1.00 1.00 C ATOM 204 CG1 ILE P 13 -17.346 18.106 15.074 1.00 1.00 C ATOM 205 CG2 ILE P 13 -18.639 17.700 17.189 1.00 1.00 C ATOM 206 CD1 ILE P 13 -15.963 18.057 15.736 1.00 1.00 C ATOM 0 H ILE P 13 -19.734 15.049 15.879 1.00 1.00 H new ATOM 0 HA ILE P 13 -17.011 15.601 15.033 1.00 1.00 H new ATOM 0 HB ILE P 13 -19.254 17.071 15.220 1.00 1.00 H new ATOM 0 HG12 ILE P 13 -17.261 17.837 14.021 1.00 1.00 H new ATOM 0 HG13 ILE P 13 -17.738 19.122 15.112 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -19.048 18.706 17.097 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -19.367 17.056 17.682 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -17.724 17.733 17.781 1.00 1.00 H new ATOM 0 HD11 ILE P 13 -15.289 18.743 15.222 1.00 1.00 H new ATOM 0 HD12 ILE P 13 -16.050 18.350 16.782 1.00 1.00 H new ATOM 0 HD13 ILE P 13 -15.566 17.044 15.674 1.00 1.00 H new ATOM 218 N ARG P 14 -17.665 14.920 18.152 1.00 1.00 N ATOM 219 CA ARG P 14 -17.028 14.629 19.434 1.00 1.00 C ATOM 220 C ARG P 14 -15.906 13.619 19.227 1.00 1.00 C ATOM 221 O ARG P 14 -14.805 13.775 19.736 1.00 1.00 O ATOM 222 CB ARG P 14 -18.062 14.076 20.420 1.00 1.00 C ATOM 223 CG ARG P 14 -17.405 13.868 21.792 1.00 1.00 C ATOM 224 CD ARG P 14 -18.445 13.356 22.794 1.00 1.00 C ATOM 225 NE ARG P 14 -19.446 14.388 23.060 1.00 1.00 N ATOM 226 CZ ARG P 14 -20.596 14.093 23.654 1.00 1.00 C ATOM 227 NH1 ARG P 14 -20.851 12.861 24.010 1.00 1.00 N ATOM 228 NH2 ARG P 14 -21.469 15.038 23.880 1.00 1.00 N ATOM 0 H ARG P 14 -18.661 14.702 18.109 1.00 1.00 H new ATOM 0 HA ARG P 14 -16.611 15.548 19.846 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -18.901 14.766 20.508 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -18.463 13.132 20.051 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -16.585 13.154 21.708 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -16.976 14.806 22.146 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -18.930 12.463 22.400 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -17.953 13.069 23.723 1.00 1.00 H new ATOM 0 HE ARG P 14 -19.257 15.352 22.784 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -20.166 12.126 23.831 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -21.735 12.635 24.466 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -21.266 15.998 23.600 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -22.354 14.816 24.336 1.00 1.00 H new ATOM 242 N ARG P 15 -16.220 12.582 18.483 1.00 1.00 N ATOM 243 CA ARG P 15 -15.277 11.526 18.194 1.00 1.00 C ATOM 244 C ARG P 15 -13.961 12.101 17.699 1.00 1.00 C ATOM 245 O ARG P 15 -12.892 11.587 18.003 1.00 1.00 O ATOM 246 CB ARG P 15 -15.870 10.601 17.144 1.00 1.00 C ATOM 247 CG ARG P 15 -17.075 9.890 17.746 1.00 1.00 C ATOM 248 CD ARG P 15 -17.826 9.135 16.657 1.00 1.00 C ATOM 249 NE ARG P 15 -16.996 8.072 16.109 1.00 1.00 N ATOM 250 CZ ARG P 15 -17.411 7.349 15.078 1.00 1.00 C ATOM 251 NH1 ARG P 15 -18.581 7.581 14.545 1.00 1.00 N ATOM 252 NH2 ARG P 15 -16.649 6.408 14.600 1.00 1.00 N ATOM 0 H ARG P 15 -17.139 12.447 18.061 1.00 1.00 H new ATOM 0 HA ARG P 15 -15.080 10.966 19.108 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -16.168 11.170 16.263 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -15.126 9.874 16.817 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -16.750 9.198 18.523 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -17.736 10.615 18.221 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -18.744 8.713 17.066 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -18.117 9.823 15.863 1.00 1.00 H new ATOM 0 HE ARG P 15 -16.084 7.881 16.523 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -19.176 8.319 14.922 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -18.900 7.024 13.752 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -15.736 6.229 15.019 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -16.965 5.850 13.807 1.00 1.00 H new ATOM 266 N ALA P 16 -14.034 13.192 16.951 1.00 1.00 N ATOM 267 CA ALA P 16 -12.816 13.811 16.456 1.00 1.00 C ATOM 268 C ALA P 16 -11.969 14.144 17.667 1.00 1.00 C ATOM 269 O ALA P 16 -10.740 14.180 17.623 1.00 1.00 O ATOM 270 CB ALA P 16 -13.128 15.078 15.663 1.00 1.00 C ATOM 0 H ALA P 16 -14.900 13.657 16.679 1.00 1.00 H new ATOM 0 HA ALA P 16 -12.291 13.134 15.782 1.00 1.00 H new ATOM 0 HB1 ALA P 16 -12.199 15.521 15.304 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -13.763 14.828 14.813 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -13.646 15.791 16.305 1.00 1.00 H new ATOM 276 N SER P 17 -12.691 14.378 18.751 1.00 1.00 N ATOM 277 CA SER P 17 -12.075 14.705 20.021 1.00 1.00 C ATOM 278 C SER P 17 -11.504 13.429 20.647 1.00 1.00 C ATOM 279 O SER P 17 -10.290 13.285 20.783 1.00 1.00 O ATOM 280 CB SER P 17 -13.093 15.361 20.975 1.00 1.00 C ATOM 281 OG SER P 17 -14.061 16.068 20.204 1.00 1.00 O ATOM 0 H SER P 17 -13.710 14.347 18.773 1.00 1.00 H new ATOM 0 HA SER P 17 -11.270 15.420 19.851 1.00 1.00 H new ATOM 0 HB2 SER P 17 -13.580 14.601 21.586 1.00 1.00 H new ATOM 0 HB3 SER P 17 -12.585 16.042 21.658 1.00 1.00 H new ATOM 0 HG SER P 17 -14.613 15.429 19.707 1.00 1.00 H new ATOM 287 N THR P 18 -12.394 12.501 21.052 1.00 1.00 N ATOM 288 CA THR P 18 -11.970 11.240 21.689 1.00 1.00 C ATOM 289 C THR P 18 -12.588 9.983 21.056 1.00 1.00 C ATOM 290 O THR P 18 -13.044 9.090 21.775 1.00 1.00 O ATOM 291 CB THR P 18 -12.328 11.283 23.176 1.00 1.00 C ATOM 292 OG1 THR P 18 -11.996 10.038 23.766 1.00 1.00 O ATOM 293 CG2 THR P 18 -13.824 11.546 23.352 1.00 1.00 C ATOM 0 H THR P 18 -13.404 12.601 20.950 1.00 1.00 H new ATOM 0 HA THR P 18 -10.893 11.164 21.540 1.00 1.00 H new ATOM 0 HB THR P 18 -11.770 12.086 23.658 1.00 1.00 H new ATOM 0 HG1 THR P 18 -12.458 9.317 23.290 1.00 1.00 H new ATOM 0 HG21 THR P 18 -14.066 11.574 24.414 1.00 1.00 H new ATOM 0 HG22 THR P 18 -14.082 12.502 22.896 1.00 1.00 H new ATOM 0 HG23 THR P 18 -14.392 10.750 22.872 1.00 1.00 H new ATOM 301 N ILE P 19 -12.584 9.927 19.721 1.00 1.00 N ATOM 302 CA ILE P 19 -13.131 8.773 18.979 1.00 1.00 C ATOM 303 C ILE P 19 -12.858 7.470 19.743 1.00 1.00 C ATOM 304 O ILE P 19 -13.602 6.495 19.625 1.00 1.00 O ATOM 305 CB ILE P 19 -12.473 8.705 17.591 1.00 1.00 C ATOM 306 CG1 ILE P 19 -12.795 7.362 16.900 1.00 1.00 C ATOM 307 CG2 ILE P 19 -10.965 8.867 17.741 1.00 1.00 C ATOM 308 CD1 ILE P 19 -12.380 7.427 15.432 1.00 1.00 C ATOM 0 H ILE P 19 -12.209 10.665 19.126 1.00 1.00 H new ATOM 0 HA ILE P 19 -14.209 8.896 18.871 1.00 1.00 H new ATOM 0 HB ILE P 19 -12.868 9.510 16.971 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -12.270 6.549 17.401 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -13.861 7.148 16.978 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -10.494 8.819 16.759 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -10.747 9.830 18.202 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -10.574 8.067 18.370 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -12.608 6.478 14.947 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -12.925 8.229 14.935 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -11.309 7.620 15.365 1.00 1.00 H new ATOM 320 N GLU P 20 -11.778 7.476 20.529 1.00 1.00 N ATOM 321 CA GLU P 20 -11.397 6.302 21.319 1.00 1.00 C ATOM 322 C GLU P 20 -10.706 6.720 22.616 1.00 1.00 C ATOM 323 O GLU P 20 -9.492 6.923 22.644 1.00 1.00 O ATOM 324 CB GLU P 20 -10.454 5.416 20.500 1.00 1.00 C ATOM 325 CG GLU P 20 -10.231 4.076 21.216 1.00 1.00 C ATOM 326 CD GLU P 20 -11.536 3.285 21.254 1.00 1.00 C ATOM 327 OE1 GLU P 20 -12.352 3.500 20.378 1.00 1.00 O ATOM 328 OE2 GLU P 20 -11.703 2.481 22.154 1.00 1.00 O ATOM 0 H GLU P 20 -11.155 8.276 20.635 1.00 1.00 H new ATOM 0 HA GLU P 20 -12.301 5.747 21.571 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -10.875 5.242 19.510 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -9.500 5.923 20.356 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -9.462 3.501 20.700 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -9.872 4.251 22.230 1.00 1.00 H new ATOM 335 N MET P 21 -11.492 6.846 23.684 1.00 1.00 N ATOM 336 CA MET P 21 -10.954 7.241 24.986 1.00 1.00 C ATOM 337 C MET P 21 -9.867 6.264 25.427 1.00 1.00 C ATOM 338 O MET P 21 -8.780 6.685 25.817 1.00 1.00 O ATOM 339 CB MET P 21 -12.079 7.294 26.071 1.00 1.00 C ATOM 340 CG MET P 21 -12.226 8.705 26.691 1.00 1.00 C ATOM 341 SD MET P 21 -10.626 9.292 27.320 1.00 1.00 S ATOM 342 CE MET P 21 -10.297 7.917 28.452 1.00 1.00 C ATOM 0 H MET P 21 -12.499 6.681 23.675 1.00 1.00 H new ATOM 0 HA MET P 21 -10.527 8.238 24.880 1.00 1.00 H new ATOM 0 HB2 MET P 21 -13.027 6.995 25.624 1.00 1.00 H new ATOM 0 HB3 MET P 21 -11.856 6.574 26.859 1.00 1.00 H new ATOM 0 HG2 MET P 21 -12.606 9.400 25.942 1.00 1.00 H new ATOM 0 HG3 MET P 21 -12.955 8.679 27.501 1.00 1.00 H new ATOM 0 HE1 MET P 21 -9.780 8.289 29.336 1.00 1.00 H new ATOM 0 HE2 MET P 21 -11.239 7.457 28.750 1.00 1.00 H new ATOM 0 HE3 MET P 21 -9.673 7.176 27.952 1.00 1.00 H new ATOM 352 N PRO P 22 -10.133 4.980 25.396 1.00 1.00 N ATOM 353 CA PRO P 22 -9.124 3.993 25.830 1.00 1.00 C ATOM 354 C PRO P 22 -7.780 4.247 25.157 1.00 1.00 C ATOM 355 O PRO P 22 -7.669 4.338 23.934 1.00 1.00 O ATOM 356 CB PRO P 22 -9.728 2.625 25.480 1.00 1.00 C ATOM 357 CG PRO P 22 -11.209 2.859 25.330 1.00 1.00 C ATOM 358 CD PRO P 22 -11.390 4.341 24.953 1.00 1.00 C ATOM 0 HA PRO P 22 -8.908 4.055 26.897 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -9.299 2.232 24.559 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -9.524 1.895 26.264 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -11.627 2.211 24.560 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -11.732 2.630 26.258 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -11.544 4.464 23.881 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -12.256 4.777 25.451 1.00 1.00 H new ATOM 366 N GLN P 23 -6.782 4.364 26.002 1.00 1.00 N ATOM 367 CA GLN P 23 -5.411 4.620 25.573 1.00 1.00 C ATOM 368 C GLN P 23 -4.814 3.436 24.830 1.00 1.00 C ATOM 369 O GLN P 23 -3.904 3.606 24.020 1.00 1.00 O ATOM 370 CB GLN P 23 -4.536 4.955 26.783 1.00 1.00 C ATOM 371 CG GLN P 23 -4.978 6.291 27.371 1.00 1.00 C ATOM 372 CD GLN P 23 -4.145 6.613 28.607 1.00 1.00 C ATOM 373 OE1 GLN P 23 -3.228 5.866 28.957 1.00 1.00 O ATOM 374 NE2 GLN P 23 -4.406 7.691 29.291 1.00 1.00 N ATOM 0 H GLN P 23 -6.891 4.285 27.013 1.00 1.00 H new ATOM 0 HA GLN P 23 -5.440 5.467 24.887 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -4.618 4.169 27.534 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -3.488 5.004 26.486 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -4.864 7.081 26.629 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -6.035 6.251 27.634 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -5.165 8.308 29.001 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -3.852 7.918 30.117 1.00 1.00 H new ATOM 383 N GLN P 24 -5.322 2.238 25.098 1.00 1.00 N ATOM 384 CA GLN P 24 -4.810 1.041 24.431 1.00 1.00 C ATOM 385 C GLN P 24 -5.517 0.872 23.100 1.00 1.00 C ATOM 386 O GLN P 24 -4.896 0.616 22.075 1.00 1.00 O ATOM 387 CB GLN P 24 -5.021 -0.200 25.313 1.00 1.00 C ATOM 388 CG GLN P 24 -6.500 -0.366 25.675 1.00 1.00 C ATOM 389 CD GLN P 24 -6.653 -1.416 26.772 1.00 1.00 C ATOM 390 OE1 GLN P 24 -5.657 -1.862 27.349 1.00 1.00 O ATOM 391 NE2 GLN P 24 -7.849 -1.837 27.097 1.00 1.00 N ATOM 0 H GLN P 24 -6.077 2.068 25.762 1.00 1.00 H new ATOM 0 HA GLN P 24 -3.739 1.154 24.260 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -4.669 -1.088 24.789 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -4.427 -0.110 26.223 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -6.910 0.586 26.012 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -7.068 -0.664 24.793 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -8.669 -1.465 26.617 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -7.961 -2.537 27.830 1.00 1.00 H new ATOM 400 N ALA P 25 -6.825 1.013 23.135 1.00 1.00 N ATOM 401 CA ALA P 25 -7.618 0.870 21.923 1.00 1.00 C ATOM 402 C ALA P 25 -7.294 1.985 20.928 1.00 1.00 C ATOM 403 O ALA P 25 -7.304 1.786 19.720 1.00 1.00 O ATOM 404 CB ALA P 25 -9.112 0.855 22.258 1.00 1.00 C ATOM 0 H ALA P 25 -7.361 1.224 23.977 1.00 1.00 H new ATOM 0 HA ALA P 25 -7.363 -0.082 21.456 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -9.690 0.747 21.340 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -9.327 0.018 22.922 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -9.384 1.789 22.750 1.00 1.00 H new ATOM 410 N ARG P 26 -7.004 3.160 21.435 1.00 1.00 N ATOM 411 CA ARG P 26 -6.687 4.264 20.578 1.00 1.00 C ATOM 412 C ARG P 26 -5.484 3.935 19.709 1.00 1.00 C ATOM 413 O ARG P 26 -5.496 4.184 18.505 1.00 1.00 O ATOM 414 CB ARG P 26 -6.391 5.491 21.439 1.00 1.00 C ATOM 415 CG ARG P 26 -6.148 6.690 20.541 1.00 1.00 C ATOM 416 CD ARG P 26 -5.899 7.938 21.395 1.00 1.00 C ATOM 417 NE ARG P 26 -5.809 9.123 20.546 1.00 1.00 N ATOM 418 CZ ARG P 26 -5.572 10.328 21.068 1.00 1.00 C ATOM 419 NH1 ARG P 26 -5.412 10.456 22.353 1.00 1.00 N ATOM 420 NH2 ARG P 26 -5.494 11.379 20.299 1.00 1.00 N ATOM 0 H ARG P 26 -6.982 3.370 22.433 1.00 1.00 H new ATOM 0 HA ARG P 26 -7.535 4.468 19.924 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -7.227 5.689 22.110 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -5.517 5.308 22.064 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -5.290 6.504 19.895 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -7.008 6.849 19.891 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -6.706 8.060 22.117 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -4.977 7.819 21.965 1.00 1.00 H new ATOM 0 HE ARG P 26 -5.929 9.028 19.538 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -5.468 9.637 22.958 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -5.231 11.376 22.755 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -5.615 11.283 19.291 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -5.313 12.296 20.706 1.00 1.00 H new ATOM 434 N GLN P 27 -4.435 3.373 20.306 1.00 1.00 N ATOM 435 CA GLN P 27 -3.232 3.031 19.541 1.00 1.00 C ATOM 436 C GLN P 27 -3.267 1.605 18.997 1.00 1.00 C ATOM 437 O GLN P 27 -2.752 1.346 17.913 1.00 1.00 O ATOM 438 CB GLN P 27 -2.003 3.189 20.438 1.00 1.00 C ATOM 439 CG GLN P 27 -1.883 4.642 20.912 1.00 1.00 C ATOM 440 CD GLN P 27 -1.589 5.558 19.723 1.00 1.00 C ATOM 441 OE1 GLN P 27 -0.698 5.274 18.921 1.00 1.00 O ATOM 442 NE2 GLN P 27 -2.284 6.645 19.564 1.00 1.00 N ATOM 0 H GLN P 27 -4.390 3.147 21.300 1.00 1.00 H new ATOM 0 HA GLN P 27 -3.187 3.709 18.688 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -2.082 2.523 21.297 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -1.105 2.901 19.892 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -2.807 4.951 21.400 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -1.088 4.727 21.652 1.00 1.00 H new ATOM 0 HE21 GLN P 27 -3.022 6.880 20.228 1.00 1.00 H new ATOM 0 HE22 GLN P 27 -2.092 7.263 18.775 1.00 1.00 H new ATOM 451 N ASN P 28 -3.872 0.682 19.738 1.00 1.00 N ATOM 452 CA ASN P 28 -3.941 -0.703 19.279 1.00 2.27 C ATOM 453 C ASN P 28 -4.731 -0.809 17.977 1.00 1.00 C ATOM 454 O ASN P 28 -4.276 -1.415 17.004 1.00 1.00 O ATOM 455 CB ASN P 28 -4.591 -1.591 20.343 1.00 1.00 C ATOM 456 CG ASN P 28 -4.654 -3.032 19.855 1.00 1.00 C ATOM 457 OD1 ASN P 28 -3.845 -3.443 19.026 1.00 1.00 O ATOM 458 ND2 ASN P 28 -5.576 -3.832 20.324 1.00 1.00 N ATOM 0 H ASN P 28 -4.313 0.860 20.640 1.00 1.00 H new ATOM 0 HA ASN P 28 -2.921 -1.043 19.101 1.00 2.27 H new ATOM 0 HB2 ASN P 28 -4.021 -1.538 21.270 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.595 -1.230 20.565 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -5.624 -4.799 20.002 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -6.247 -3.489 21.012 1.00 1.00 H new ATOM 465 N LEU P 29 -5.910 -0.213 17.966 1.00 1.00 N ATOM 466 CA LEU P 29 -6.756 -0.237 16.782 1.00 2.17 C ATOM 467 C LEU P 29 -6.115 0.589 15.706 1.00 1.00 C ATOM 468 O LEU P 29 -6.100 0.209 14.533 1.00 1.00 O ATOM 469 CB LEU P 29 -8.142 0.325 17.097 1.00 1.00 C ATOM 470 CG LEU P 29 -8.705 -0.392 18.316 1.00 1.00 C ATOM 471 CD1 LEU P 29 -10.020 0.275 18.738 1.00 1.00 C ATOM 472 CD2 LEU P 29 -8.956 -1.880 17.997 1.00 1.00 C ATOM 0 H LEU P 29 -6.304 0.292 18.760 1.00 1.00 H new ATOM 0 HA LEU P 29 -6.868 -1.269 16.448 1.00 2.17 H new ATOM 0 HB2 LEU P 29 -8.079 1.396 17.287 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -8.805 0.191 16.242 1.00 1.00 H new ATOM 0 HG LEU P 29 -7.983 -0.327 19.130 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -10.424 -0.238 19.611 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -9.835 1.321 18.985 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -10.737 0.217 17.919 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -9.358 -2.378 18.879 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -9.670 -1.961 17.177 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -8.017 -2.354 17.709 1.00 1.00 H new ATOM 484 N GLN P 30 -5.571 1.732 16.105 1.00 1.00 N ATOM 485 CA GLN P 30 -4.923 2.595 15.129 1.00 2.89 C ATOM 486 C GLN P 30 -3.618 1.969 14.642 1.00 1.00 C ATOM 487 O GLN P 30 -3.194 2.211 13.517 1.00 1.00 O ATOM 488 CB GLN P 30 -4.659 3.983 15.706 1.00 1.00 C ATOM 489 CG GLN P 30 -5.996 4.697 15.940 1.00 1.00 C ATOM 490 CD GLN P 30 -6.644 5.058 14.606 1.00 1.00 C ATOM 491 OE1 GLN P 30 -5.991 5.624 13.730 1.00 1.00 O ATOM 492 NE2 GLN P 30 -7.899 4.764 14.397 1.00 1.00 N ATOM 0 H GLN P 30 -5.564 2.074 17.066 1.00 1.00 H new ATOM 0 HA GLN P 30 -5.599 2.704 14.281 1.00 2.89 H new ATOM 0 HB2 GLN P 30 -4.108 3.901 16.643 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -4.039 4.562 15.022 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -6.664 4.055 16.514 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -5.836 5.599 16.530 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -8.441 4.295 15.123 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -8.338 5.004 13.508 1.00 1.00 H new ATOM 501 N ASN P 31 -2.989 1.155 15.491 1.00 1.00 N ATOM 502 CA ASN P 31 -1.741 0.506 15.108 1.00 2.37 C ATOM 503 C ASN P 31 -2.008 -0.423 13.930 1.00 1.00 C ATOM 504 O ASN P 31 -1.212 -0.512 12.998 1.00 1.00 O ATOM 505 CB ASN P 31 -1.144 -0.280 16.291 1.00 1.00 C ATOM 506 CG ASN P 31 -0.358 0.650 17.217 1.00 1.00 C ATOM 507 OD1 ASN P 31 0.030 1.749 16.818 1.00 1.00 O ATOM 508 ND2 ASN P 31 -0.103 0.264 18.441 1.00 1.00 N ATOM 0 H ASN P 31 -3.318 0.934 16.431 1.00 1.00 H new ATOM 0 HA ASN P 31 -1.016 1.266 14.818 1.00 2.37 H new ATOM 0 HB2 ASN P 31 -1.943 -0.768 16.850 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -0.489 -1.067 15.917 1.00 1.00 H new ATOM 0 HD21 ASN P 31 0.419 0.874 19.070 1.00 1.00 H new ATOM 0 HD22 ASN P 31 -0.427 -0.647 18.766 1.00 1.00 H new ATOM 515 N LEU P 32 -3.134 -1.111 13.988 1.00 1.00 N ATOM 516 CA LEU P 32 -3.511 -2.028 12.933 1.00 2.24 C ATOM 517 C LEU P 32 -3.723 -1.242 11.655 1.00 1.00 C ATOM 518 O LEU P 32 -3.268 -1.645 10.602 1.00 1.00 O ATOM 519 CB LEU P 32 -4.797 -2.768 13.310 1.00 1.00 C ATOM 520 CG LEU P 32 -4.531 -3.733 14.476 1.00 1.00 C ATOM 521 CD1 LEU P 32 -5.875 -4.238 15.010 1.00 1.00 C ATOM 522 CD2 LEU P 32 -3.670 -4.933 14.008 1.00 1.00 C ATOM 0 H LEU P 32 -3.802 -1.051 14.756 1.00 1.00 H new ATOM 0 HA LEU P 32 -2.720 -2.763 12.788 1.00 2.24 H new ATOM 0 HB2 LEU P 32 -5.569 -2.051 13.590 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.173 -3.321 12.449 1.00 1.00 H new ATOM 0 HG LEU P 32 -3.986 -3.208 15.261 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -5.702 -4.925 15.839 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.469 -3.393 15.357 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -6.411 -4.756 14.215 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -3.493 -5.604 14.849 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -4.194 -5.471 13.218 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -2.716 -4.569 13.627 1.00 1.00 H new ATOM 534 N PHE P 33 -4.413 -0.114 11.763 1.00 1.00 N ATOM 535 CA PHE P 33 -4.668 0.722 10.593 1.00 2.58 C ATOM 536 C PHE P 33 -3.350 1.266 10.044 1.00 1.00 C ATOM 537 O PHE P 33 -3.076 1.174 8.849 1.00 1.00 O ATOM 538 CB PHE P 33 -5.595 1.884 10.969 1.00 1.00 C ATOM 539 CG PHE P 33 -5.826 2.766 9.756 1.00 1.00 C ATOM 540 CD1 PHE P 33 -6.658 2.329 8.716 1.00 1.00 C ATOM 541 CD2 PHE P 33 -5.208 4.020 9.672 1.00 1.00 C ATOM 542 CE1 PHE P 33 -6.871 3.146 7.596 1.00 1.00 C ATOM 543 CE2 PHE P 33 -5.421 4.835 8.554 1.00 1.00 C ATOM 544 CZ PHE P 33 -6.252 4.399 7.516 1.00 1.00 C ATOM 0 H PHE P 33 -4.803 0.242 12.636 1.00 1.00 H new ATOM 0 HA PHE P 33 -5.151 0.117 9.826 1.00 2.58 H new ATOM 0 HB2 PHE P 33 -6.546 1.499 11.337 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -5.153 2.468 11.777 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -7.136 1.362 8.777 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -4.566 4.359 10.471 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -7.512 2.808 6.795 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -4.943 5.802 8.492 1.00 1.00 H new ATOM 0 HZ PHE P 33 -6.416 5.029 6.654 1.00 1.00 H new ATOM 554 N ILE P 34 -2.540 1.833 10.936 1.00 1.00 N ATOM 555 CA ILE P 34 -1.250 2.388 10.533 1.00 2.58 C ATOM 556 C ILE P 34 -0.364 1.271 9.993 1.00 1.00 C ATOM 557 O ILE P 34 0.263 1.419 8.947 1.00 1.00 O ATOM 558 CB ILE P 34 -0.564 3.085 11.723 1.00 1.00 C ATOM 559 CG1 ILE P 34 -1.351 4.359 12.129 1.00 1.00 C ATOM 560 CG2 ILE P 34 0.882 3.453 11.370 1.00 1.00 C ATOM 561 CD1 ILE P 34 -1.443 5.376 10.972 1.00 1.00 C ATOM 0 H ILE P 34 -2.750 1.920 11.930 1.00 1.00 H new ATOM 0 HA ILE P 34 -1.412 3.131 9.752 1.00 2.58 H new ATOM 0 HB ILE P 34 -0.553 2.393 12.565 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -2.356 4.079 12.446 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -0.866 4.827 12.985 1.00 1.00 H new ATOM 0 HG21 ILE P 34 1.351 3.944 12.222 1.00 1.00 H new ATOM 0 HG22 ILE P 34 1.437 2.549 11.122 1.00 1.00 H new ATOM 0 HG23 ILE P 34 0.887 4.128 10.514 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -2.002 6.252 11.301 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -0.439 5.678 10.672 1.00 1.00 H new ATOM 0 HD13 ILE P 34 -1.952 4.918 10.124 1.00 1.00 H new ATOM 573 N ASN P 35 -0.320 0.153 10.706 1.00 1.00 N ATOM 574 CA ASN P 35 0.488 -0.970 10.274 1.00 2.51 C ATOM 575 C ASN P 35 -0.092 -1.516 8.986 1.00 1.00 C ATOM 576 O ASN P 35 0.628 -1.818 8.033 1.00 1.00 O ATOM 577 CB ASN P 35 0.497 -2.052 11.354 1.00 1.00 C ATOM 578 CG ASN P 35 1.317 -3.250 10.887 1.00 1.00 C ATOM 579 OD1 ASN P 35 1.654 -3.347 9.709 1.00 1.00 O ATOM 580 ND2 ASN P 35 1.657 -4.175 11.744 1.00 1.00 N ATOM 0 H ASN P 35 -0.830 0.004 11.577 1.00 1.00 H new ATOM 0 HA ASN P 35 1.515 -0.647 10.105 1.00 2.51 H new ATOM 0 HB2 ASN P 35 0.916 -1.652 12.277 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.524 -2.364 11.576 1.00 1.00 H new ATOM 0 HD21 ASN P 35 2.203 -4.980 11.436 1.00 1.00 H new ATOM 0 HD22 ASN P 35 1.376 -4.093 12.721 1.00 1.00 H new ATOM 587 N PHE P 36 -1.409 -1.641 8.973 1.00 1.00 N ATOM 588 CA PHE P 36 -2.098 -2.158 7.797 1.00 2.49 C ATOM 589 C PHE P 36 -1.954 -1.218 6.609 1.00 1.00 C ATOM 590 O PHE P 36 -1.947 -1.658 5.453 1.00 1.00 O ATOM 591 CB PHE P 36 -3.584 -2.391 8.091 1.00 1.00 C ATOM 592 CG PHE P 36 -4.286 -2.884 6.847 1.00 1.00 C ATOM 593 CD1 PHE P 36 -3.967 -4.141 6.327 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.258 -2.090 6.214 1.00 1.00 C ATOM 595 CE1 PHE P 36 -4.613 -4.607 5.178 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.902 -2.558 5.066 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.581 -3.817 4.546 1.00 1.00 C ATOM 0 H PHE P 36 -2.019 -1.395 9.753 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.631 -3.110 7.544 1.00 2.49 H new ATOM 0 HB2 PHE P 36 -3.694 -3.120 8.894 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -4.045 -1.465 8.436 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -3.221 -4.753 6.813 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.507 -1.119 6.615 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -4.365 -5.579 4.777 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.648 -1.948 4.579 1.00 1.00 H new ATOM 0 HZ PHE P 36 -6.079 -4.179 3.659 1.00 1.00 H new ATOM 607 N ALA P 37 -1.828 0.073 6.883 1.00 1.00 N ATOM 608 CA ALA P 37 -1.674 1.050 5.817 1.00 1.88 C ATOM 609 C ALA P 37 -0.264 0.972 5.251 1.00 1.00 C ATOM 610 O ALA P 37 -0.043 1.156 4.054 1.00 1.00 O ATOM 611 CB ALA P 37 -1.931 2.459 6.349 1.00 1.00 C ATOM 0 H ALA P 37 -1.829 0.464 7.825 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.397 0.830 5.032 1.00 1.88 H new ATOM 0 HB1 ALA P 37 -1.812 3.180 5.541 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -2.945 2.520 6.743 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.219 2.684 7.143 1.00 1.00 H new ATOM 617 N LEU P 38 0.689 0.696 6.133 1.00 1.00 N ATOM 618 CA LEU P 38 2.083 0.589 5.731 1.00 2.00 C ATOM 619 C LEU P 38 2.254 -0.555 4.736 1.00 1.00 C ATOM 620 O LEU P 38 3.023 -0.456 3.781 1.00 1.00 O ATOM 621 CB LEU P 38 2.987 0.356 6.954 1.00 1.00 C ATOM 622 CG LEU P 38 3.224 1.676 7.713 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.945 1.358 9.029 1.00 1.00 C ATOM 624 CD2 LEU P 38 4.087 2.652 6.866 1.00 1.00 C ATOM 0 H LEU P 38 0.521 0.543 7.127 1.00 1.00 H new ATOM 0 HA LEU P 38 2.376 1.526 5.257 1.00 2.00 H new ATOM 0 HB2 LEU P 38 2.527 -0.375 7.619 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.941 -0.062 6.633 1.00 1.00 H new ATOM 0 HG LEU P 38 2.265 2.155 7.911 1.00 1.00 H new ATOM 0 HD11 LEU P 38 4.121 2.282 9.580 1.00 1.00 H new ATOM 0 HD12 LEU P 38 3.328 0.689 9.629 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.899 0.876 8.814 1.00 1.00 H new ATOM 0 HD21 LEU P 38 4.241 3.577 7.422 1.00 1.00 H new ATOM 0 HD22 LEU P 38 5.052 2.192 6.652 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.574 2.872 5.930 1.00 1.00 H new ATOM 636 N ILE P 39 1.532 -1.643 4.959 1.00 1.00 N ATOM 637 CA ILE P 39 1.626 -2.778 4.059 1.00 2.91 C ATOM 638 C ILE P 39 1.090 -2.371 2.690 1.00 1.00 C ATOM 639 O ILE P 39 1.678 -2.680 1.657 1.00 1.00 O ATOM 640 CB ILE P 39 0.819 -3.959 4.615 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.500 -4.475 5.887 1.00 1.00 C ATOM 642 CG2 ILE P 39 0.767 -5.084 3.579 1.00 1.00 C ATOM 643 CD1 ILE P 39 0.578 -5.468 6.602 1.00 1.00 C ATOM 0 H ILE P 39 0.887 -1.762 5.740 1.00 1.00 H new ATOM 0 HA ILE P 39 2.667 -3.087 3.965 1.00 2.91 H new ATOM 0 HB ILE P 39 -0.196 -3.631 4.842 1.00 1.00 H new ATOM 0 HG12 ILE P 39 2.444 -4.958 5.635 1.00 1.00 H new ATOM 0 HG13 ILE P 39 1.735 -3.641 6.549 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.193 -5.920 3.978 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.291 -4.719 2.669 1.00 1.00 H new ATOM 0 HG23 ILE P 39 1.780 -5.415 3.351 1.00 1.00 H new ATOM 0 HD11 ILE P 39 1.066 -5.832 7.506 1.00 1.00 H new ATOM 0 HD12 ILE P 39 -0.355 -4.971 6.869 1.00 1.00 H new ATOM 0 HD13 ILE P 39 0.365 -6.308 5.941 1.00 1.00 H new ATOM 655 N LEU P 40 -0.034 -1.671 2.706 1.00 1.00 N ATOM 656 CA LEU P 40 -0.652 -1.214 1.464 1.00 2.62 C ATOM 657 C LEU P 40 0.214 -0.167 0.754 1.00 1.00 C ATOM 658 O LEU P 40 0.447 -0.260 -0.447 1.00 1.00 O ATOM 659 CB LEU P 40 -2.036 -0.623 1.745 1.00 1.00 C ATOM 660 CG LEU P 40 -3.014 -1.728 2.176 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.319 -1.082 2.673 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.314 -2.686 0.993 1.00 1.00 C ATOM 0 H LEU P 40 -0.535 -1.407 3.554 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.748 -2.081 0.810 1.00 2.62 H new ATOM 0 HB2 LEU P 40 -1.964 0.133 2.527 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.413 -0.123 0.853 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.562 -2.310 2.979 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -5.017 -1.861 2.980 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -4.103 -0.433 3.522 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -4.763 -0.494 1.870 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -4.008 -3.461 1.319 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.758 -2.123 0.172 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.387 -3.149 0.655 1.00 1.00 H new ATOM 674 N ILE P 41 0.673 0.834 1.503 1.00 1.00 N ATOM 675 CA ILE P 41 1.498 1.889 0.902 1.00 1.97 C ATOM 676 C ILE P 41 2.809 1.318 0.348 1.00 1.00 C ATOM 677 O ILE P 41 3.211 1.648 -0.761 1.00 1.00 O ATOM 678 CB ILE P 41 1.750 3.039 1.924 1.00 1.00 C ATOM 679 CG1 ILE P 41 1.905 4.387 1.191 1.00 1.00 C ATOM 680 CG2 ILE P 41 3.017 2.788 2.754 1.00 1.00 C ATOM 681 CD1 ILE P 41 2.008 5.520 2.214 1.00 1.00 C ATOM 0 H ILE P 41 0.496 0.940 2.502 1.00 1.00 H new ATOM 0 HA ILE P 41 0.953 2.313 0.058 1.00 1.97 H new ATOM 0 HB ILE P 41 0.888 3.070 2.590 1.00 1.00 H new ATOM 0 HG12 ILE P 41 2.795 4.370 0.562 1.00 1.00 H new ATOM 0 HG13 ILE P 41 1.052 4.554 0.533 1.00 1.00 H new ATOM 0 HG21 ILE P 41 3.161 3.610 3.456 1.00 1.00 H new ATOM 0 HG22 ILE P 41 2.911 1.854 3.306 1.00 1.00 H new ATOM 0 HG23 ILE P 41 3.879 2.722 2.091 1.00 1.00 H new ATOM 0 HD11 ILE P 41 2.117 6.471 1.693 1.00 1.00 H new ATOM 0 HD12 ILE P 41 1.105 5.542 2.825 1.00 1.00 H new ATOM 0 HD13 ILE P 41 2.875 5.355 2.854 1.00 1.00 H new ATOM 693 N PHE P 42 3.470 0.466 1.119 1.00 1.00 N ATOM 694 CA PHE P 42 4.728 -0.124 0.673 1.00 2.31 C ATOM 695 C PHE P 42 4.536 -0.891 -0.633 1.00 1.00 C ATOM 696 O PHE P 42 5.327 -0.752 -1.564 1.00 1.00 O ATOM 697 CB PHE P 42 5.277 -1.059 1.753 1.00 1.00 C ATOM 698 CG PHE P 42 6.586 -1.661 1.290 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.744 -0.872 1.263 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.644 -3.002 0.888 1.00 1.00 C ATOM 701 CE1 PHE P 42 8.958 -1.424 0.833 1.00 1.00 C ATOM 702 CE2 PHE P 42 7.858 -3.552 0.461 1.00 1.00 C ATOM 703 CZ PHE P 42 9.013 -2.766 0.432 1.00 1.00 C ATOM 0 H PHE P 42 3.163 0.169 2.045 1.00 1.00 H new ATOM 0 HA PHE P 42 5.442 0.681 0.496 1.00 2.31 H new ATOM 0 HB2 PHE P 42 5.427 -0.509 2.682 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.557 -1.849 1.964 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.701 0.161 1.574 1.00 1.00 H new ATOM 0 HD2 PHE P 42 5.752 -3.611 0.908 1.00 1.00 H new ATOM 0 HE1 PHE P 42 9.850 -0.816 0.811 1.00 1.00 H new ATOM 0 HE2 PHE P 42 7.902 -4.586 0.153 1.00 1.00 H new ATOM 0 HZ PHE P 42 9.948 -3.193 0.101 1.00 1.00 H new ATOM 713 N LEU P 43 3.483 -1.696 -0.693 1.00 1.00 N ATOM 714 CA LEU P 43 3.194 -2.483 -1.889 1.00 2.50 C ATOM 715 C LEU P 43 2.878 -1.567 -3.070 1.00 1.00 C ATOM 716 O LEU P 43 3.305 -1.812 -4.194 1.00 1.00 O ATOM 717 CB LEU P 43 2.005 -3.416 -1.633 1.00 1.00 C ATOM 718 CG LEU P 43 2.387 -4.532 -0.641 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.112 -5.236 -0.165 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.325 -5.565 -1.315 1.00 1.00 C ATOM 0 H LEU P 43 2.816 -1.822 0.068 1.00 1.00 H new ATOM 0 HA LEU P 43 4.075 -3.078 -2.128 1.00 2.50 H new ATOM 0 HB2 LEU P 43 1.166 -2.843 -1.237 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.674 -3.857 -2.573 1.00 1.00 H new ATOM 0 HG LEU P 43 2.911 -4.089 0.206 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.374 -6.027 0.537 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.460 -4.514 0.328 1.00 1.00 H new ATOM 0 HD13 LEU P 43 0.594 -5.668 -1.021 1.00 1.00 H new ATOM 0 HD21 LEU P 43 3.583 -6.344 -0.598 1.00 1.00 H new ATOM 0 HD22 LEU P 43 2.819 -6.012 -2.171 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.234 -5.066 -1.651 1.00 1.00 H new ATOM 732 N LEU P 44 2.129 -0.509 -2.811 1.00 1.00 N ATOM 733 CA LEU P 44 1.777 0.426 -3.870 1.00 2.27 C ATOM 734 C LEU P 44 3.025 1.134 -4.397 1.00 1.00 C ATOM 735 O LEU P 44 3.146 1.383 -5.595 1.00 1.00 O ATOM 736 CB LEU P 44 0.769 1.461 -3.360 1.00 1.00 C ATOM 737 CG LEU P 44 -0.609 0.813 -3.132 1.00 1.00 C ATOM 738 CD1 LEU P 44 -1.466 1.761 -2.290 1.00 1.00 C ATOM 739 CD2 LEU P 44 -1.320 0.543 -4.481 1.00 1.00 C ATOM 0 H LEU P 44 1.756 -0.276 -1.891 1.00 1.00 H new ATOM 0 HA LEU P 44 1.322 -0.139 -4.684 1.00 2.27 H new ATOM 0 HB2 LEU P 44 1.129 1.898 -2.429 1.00 1.00 H new ATOM 0 HB3 LEU P 44 0.679 2.274 -4.080 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.473 -0.138 -2.617 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.445 1.313 -2.121 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -0.978 1.938 -1.332 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -1.586 2.708 -2.817 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -2.291 0.085 -4.295 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -1.458 1.484 -5.014 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.711 -0.130 -5.085 1.00 1.00 H new ATOM 751 N LEU P 45 3.949 1.461 -3.493 1.00 1.00 N ATOM 752 CA LEU P 45 5.181 2.148 -3.882 1.00 2.36 C ATOM 753 C LEU P 45 6.066 1.306 -4.804 1.00 1.00 C ATOM 754 O LEU P 45 6.617 1.827 -5.771 1.00 1.00 O ATOM 755 CB LEU P 45 5.976 2.560 -2.636 1.00 1.00 C ATOM 756 CG LEU P 45 5.273 3.717 -1.904 1.00 1.00 C ATOM 757 CD1 LEU P 45 5.897 3.875 -0.511 1.00 1.00 C ATOM 758 CD2 LEU P 45 5.432 5.042 -2.694 1.00 1.00 C ATOM 0 H LEU P 45 3.870 1.264 -2.495 1.00 1.00 H new ATOM 0 HA LEU P 45 4.881 3.033 -4.442 1.00 2.36 H new ATOM 0 HB2 LEU P 45 6.079 1.707 -1.965 1.00 1.00 H new ATOM 0 HB3 LEU P 45 6.983 2.863 -2.924 1.00 1.00 H new ATOM 0 HG LEU P 45 4.210 3.491 -1.819 1.00 1.00 H new ATOM 0 HD11 LEU P 45 5.406 4.693 0.017 1.00 1.00 H new ATOM 0 HD12 LEU P 45 5.769 2.951 0.052 1.00 1.00 H new ATOM 0 HD13 LEU P 45 6.960 4.094 -0.611 1.00 1.00 H new ATOM 0 HD21 LEU P 45 4.928 5.847 -2.159 1.00 1.00 H new ATOM 0 HD22 LEU P 45 6.491 5.281 -2.795 1.00 1.00 H new ATOM 0 HD23 LEU P 45 4.989 4.931 -3.684 1.00 1.00 H new ATOM 770 N ILE P 46 6.212 0.020 -4.522 1.00 1.00 N ATOM 771 CA ILE P 46 7.053 -0.812 -5.380 1.00 2.24 C ATOM 772 C ILE P 46 6.420 -0.900 -6.768 1.00 1.00 C ATOM 773 O ILE P 46 7.112 -0.889 -7.783 1.00 1.00 O ATOM 774 CB ILE P 46 7.275 -2.215 -4.745 1.00 1.00 C ATOM 775 CG1 ILE P 46 8.645 -2.789 -5.170 1.00 1.00 C ATOM 776 CG2 ILE P 46 6.184 -3.211 -5.176 1.00 1.00 C ATOM 777 CD1 ILE P 46 9.806 -1.971 -4.571 1.00 1.00 C ATOM 0 H ILE P 46 5.777 -0.461 -3.735 1.00 1.00 H new ATOM 0 HA ILE P 46 8.039 -0.358 -5.481 1.00 2.24 H new ATOM 0 HB ILE P 46 7.236 -2.084 -3.664 1.00 1.00 H new ATOM 0 HG12 ILE P 46 8.723 -3.827 -4.846 1.00 1.00 H new ATOM 0 HG13 ILE P 46 8.720 -2.789 -6.257 1.00 1.00 H new ATOM 0 HG21 ILE P 46 6.372 -4.180 -4.713 1.00 1.00 H new ATOM 0 HG22 ILE P 46 5.208 -2.841 -4.860 1.00 1.00 H new ATOM 0 HG23 ILE P 46 6.197 -3.319 -6.261 1.00 1.00 H new ATOM 0 HD11 ILE P 46 10.756 -2.401 -4.889 1.00 1.00 H new ATOM 0 HD12 ILE P 46 9.741 -0.939 -4.917 1.00 1.00 H new ATOM 0 HD13 ILE P 46 9.744 -1.994 -3.483 1.00 1.00 H new ATOM 789 N ALA P 47 5.095 -0.984 -6.788 1.00 1.00 N ATOM 790 CA ALA P 47 4.373 -1.070 -8.048 1.00 1.93 C ATOM 791 C ALA P 47 4.701 0.148 -8.908 1.00 1.00 C ATOM 792 O ALA P 47 4.999 0.024 -10.096 1.00 1.00 O ATOM 793 CB ALA P 47 2.864 -1.142 -7.790 1.00 1.00 C ATOM 0 H ALA P 47 4.506 -0.994 -5.955 1.00 1.00 H new ATOM 0 HA ALA P 47 4.678 -1.974 -8.574 1.00 1.93 H new ATOM 0 HB1 ALA P 47 2.335 -1.206 -8.741 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.639 -2.024 -7.190 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.543 -0.248 -7.256 1.00 1.00 H new ATOM 799 N ILE P 48 4.640 1.325 -8.295 1.00 1.00 N ATOM 800 CA ILE P 48 4.927 2.567 -9.003 1.00 2.98 C ATOM 801 C ILE P 48 6.379 2.583 -9.496 1.00 1.00 C ATOM 802 O ILE P 48 6.649 2.964 -10.637 1.00 1.00 O ATOM 803 CB ILE P 48 4.675 3.752 -8.065 1.00 1.00 C ATOM 804 CG1 ILE P 48 3.177 3.842 -7.757 1.00 1.00 C ATOM 805 CG2 ILE P 48 5.136 5.052 -8.727 1.00 1.00 C ATOM 806 CD1 ILE P 48 2.951 4.806 -6.593 1.00 1.00 C ATOM 0 H ILE P 48 4.395 1.445 -7.312 1.00 1.00 H new ATOM 0 HA ILE P 48 4.272 2.643 -9.871 1.00 2.98 H new ATOM 0 HB ILE P 48 5.235 3.604 -7.142 1.00 1.00 H new ATOM 0 HG12 ILE P 48 2.634 4.185 -8.638 1.00 1.00 H new ATOM 0 HG13 ILE P 48 2.787 2.856 -7.507 1.00 1.00 H new ATOM 0 HG21 ILE P 48 4.953 5.889 -8.053 1.00 1.00 H new ATOM 0 HG22 ILE P 48 6.202 4.990 -8.947 1.00 1.00 H new ATOM 0 HG23 ILE P 48 4.582 5.205 -9.653 1.00 1.00 H new ATOM 0 HD11 ILE P 48 1.885 4.869 -6.375 1.00 1.00 H new ATOM 0 HD12 ILE P 48 3.481 4.443 -5.712 1.00 1.00 H new ATOM 0 HD13 ILE P 48 3.326 5.794 -6.861 1.00 1.00 H new ATOM 818 N ILE P 49 7.303 2.166 -8.634 1.00 1.00 N ATOM 819 CA ILE P 49 8.717 2.135 -9.004 1.00 1.00 C ATOM 820 C ILE P 49 8.944 1.115 -10.115 1.00 1.00 C ATOM 821 O ILE P 49 9.654 1.379 -11.085 1.00 1.00 O ATOM 822 CB ILE P 49 9.580 1.777 -7.791 1.00 1.00 C ATOM 823 CG1 ILE P 49 9.528 2.911 -6.742 1.00 1.00 C ATOM 824 CG2 ILE P 49 11.036 1.517 -8.211 1.00 1.00 C ATOM 825 CD1 ILE P 49 10.041 4.248 -7.306 1.00 1.00 C ATOM 0 H ILE P 49 7.103 1.848 -7.686 1.00 1.00 H new ATOM 0 HA ILE P 49 9.003 3.125 -9.360 1.00 1.00 H new ATOM 0 HB ILE P 49 9.180 0.864 -7.349 1.00 1.00 H new ATOM 0 HG12 ILE P 49 8.503 3.035 -6.394 1.00 1.00 H new ATOM 0 HG13 ILE P 49 10.127 2.630 -5.876 1.00 1.00 H new ATOM 0 HG21 ILE P 49 11.629 1.265 -7.332 1.00 1.00 H new ATOM 0 HG22 ILE P 49 11.068 0.690 -8.920 1.00 1.00 H new ATOM 0 HG23 ILE P 49 11.445 2.412 -8.680 1.00 1.00 H new ATOM 0 HD11 ILE P 49 9.985 5.014 -6.533 1.00 1.00 H new ATOM 0 HD12 ILE P 49 11.076 4.133 -7.630 1.00 1.00 H new ATOM 0 HD13 ILE P 49 9.426 4.544 -8.156 1.00 1.00 H new ATOM 837 N VAL P 50 8.335 -0.050 -9.965 1.00 1.00 N ATOM 838 CA VAL P 50 8.479 -1.097 -10.964 1.00 1.00 C ATOM 839 C VAL P 50 7.884 -0.612 -12.279 1.00 1.00 C ATOM 840 O VAL P 50 8.493 -0.751 -13.341 1.00 1.00 O ATOM 841 CB VAL P 50 7.777 -2.376 -10.489 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.707 -3.391 -11.634 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.566 -2.984 -9.321 1.00 1.00 C ATOM 0 H VAL P 50 7.743 -0.293 -9.171 1.00 1.00 H new ATOM 0 HA VAL P 50 9.534 -1.325 -11.112 1.00 1.00 H new ATOM 0 HB VAL P 50 6.766 -2.130 -10.165 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.207 -4.296 -11.288 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.148 -2.963 -12.466 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.716 -3.637 -11.964 1.00 1.00 H new ATOM 0 HG21 VAL P 50 8.070 -3.893 -8.981 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.577 -3.224 -9.651 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.612 -2.267 -8.501 1.00 1.00 H new ATOM 853 N MET P 51 6.689 -0.037 -12.197 1.00 1.00 N ATOM 854 CA MET P 51 6.012 0.474 -13.377 1.00 1.00 C ATOM 855 C MET P 51 6.750 1.696 -13.921 1.00 1.00 C ATOM 856 O MET P 51 6.695 1.973 -15.119 1.00 1.00 O ATOM 857 CB MET P 51 4.557 0.849 -13.048 1.00 1.00 C ATOM 858 CG MET P 51 3.693 -0.417 -12.959 1.00 1.00 C ATOM 859 SD MET P 51 1.950 0.046 -12.781 1.00 1.00 S ATOM 860 CE MET P 51 2.023 0.660 -11.080 1.00 1.00 C ATOM 0 H MET P 51 6.172 0.085 -11.326 1.00 1.00 H new ATOM 0 HA MET P 51 6.009 -0.309 -14.135 1.00 1.00 H new ATOM 0 HB2 MET P 51 4.518 1.392 -12.104 1.00 1.00 H new ATOM 0 HB3 MET P 51 4.162 1.515 -13.816 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.828 -1.025 -13.853 1.00 1.00 H new ATOM 0 HG3 MET P 51 4.007 -1.024 -12.110 1.00 1.00 H new ATOM 0 HE1 MET P 51 1.011 0.799 -10.699 1.00 1.00 H new ATOM 0 HE2 MET P 51 2.550 -0.061 -10.455 1.00 1.00 H new ATOM 0 HE3 MET P 51 2.552 1.613 -11.060 1.00 1.00 H new ATOM 870 N LEU P 52 7.439 2.431 -13.044 1.00 1.00 N ATOM 871 CA LEU P 52 8.167 3.619 -13.484 1.00 1.00 C ATOM 872 C LEU P 52 9.213 3.254 -14.533 1.00 1.00 C ATOM 873 O LEU P 52 9.411 3.986 -15.504 1.00 1.00 O ATOM 874 CB LEU P 52 8.835 4.306 -12.283 1.00 1.00 C ATOM 875 CG LEU P 52 9.640 5.540 -12.734 1.00 1.00 C ATOM 876 CD1 LEU P 52 8.739 6.530 -13.496 1.00 1.00 C ATOM 877 CD2 LEU P 52 10.219 6.225 -11.491 1.00 1.00 C ATOM 0 H LEU P 52 7.507 2.229 -12.046 1.00 1.00 H new ATOM 0 HA LEU P 52 7.456 4.311 -13.936 1.00 1.00 H new ATOM 0 HB2 LEU P 52 8.075 4.606 -11.562 1.00 1.00 H new ATOM 0 HB3 LEU P 52 9.495 3.602 -11.776 1.00 1.00 H new ATOM 0 HG LEU P 52 10.441 5.223 -13.402 1.00 1.00 H new ATOM 0 HD11 LEU P 52 9.328 7.394 -13.805 1.00 1.00 H new ATOM 0 HD12 LEU P 52 8.323 6.040 -14.377 1.00 1.00 H new ATOM 0 HD13 LEU P 52 7.928 6.858 -12.846 1.00 1.00 H new ATOM 0 HD21 LEU P 52 10.793 7.102 -11.793 1.00 1.00 H new ATOM 0 HD22 LEU P 52 9.406 6.532 -10.833 1.00 1.00 H new ATOM 0 HD23 LEU P 52 10.871 5.529 -10.962 1.00 1.00 H new ATOM 889 N LEU P 53 9.879 2.127 -14.338 1.00 1.00 N ATOM 890 CA LEU P 53 10.902 1.683 -15.281 1.00 1.00 C ATOM 891 C LEU P 53 10.266 1.313 -16.621 1.00 1.00 C ATOM 892 O LEU P 53 9.402 0.450 -16.630 1.00 1.00 O ATOM 893 CB LEU P 53 11.652 0.471 -14.719 1.00 1.00 C ATOM 894 CG LEU P 53 12.276 0.811 -13.358 1.00 1.00 C ATOM 895 CD1 LEU P 53 12.946 -0.444 -12.789 1.00 1.00 C ATOM 896 CD2 LEU P 53 13.331 1.929 -13.519 1.00 1.00 C ATOM 897 OXT LEU P 53 10.654 1.898 -17.619 1.00 1.00 O ATOM 0 H LEU P 53 9.734 1.505 -13.543 1.00 1.00 H new ATOM 0 HA LEU P 53 11.606 2.501 -15.434 1.00 1.00 H new ATOM 0 HB2 LEU P 53 10.968 -0.371 -14.612 1.00 1.00 H new ATOM 0 HB3 LEU P 53 12.431 0.162 -15.416 1.00 1.00 H new ATOM 0 HG LEU P 53 11.496 1.158 -12.681 1.00 1.00 H new ATOM 0 HD11 LEU P 53 13.392 -0.212 -11.822 1.00 1.00 H new ATOM 0 HD12 LEU P 53 12.201 -1.230 -12.665 1.00 1.00 H new ATOM 0 HD13 LEU P 53 13.722 -0.784 -13.474 1.00 1.00 H new ATOM 0 HD21 LEU P 53 13.766 2.161 -12.547 1.00 1.00 H new ATOM 0 HD22 LEU P 53 14.116 1.594 -14.197 1.00 1.00 H new ATOM 0 HD23 LEU P 53 12.856 2.822 -13.926 1.00 1.00 H new