USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: P 31 ASN : amide:sc= -0.566 X(o=-3.4,f=-3.5) USER MOD Set 1.2: P 35 ASN :FLIP amide:sc= -2.81! F(o=-5.5,f=-3.4!) USER MOD Single : P 1 ALA N :NH3+ -157:sc= -0.236 (180deg=-1.03) USER MOD Single : P 2 MET CE :methyl -159:sc= -0.0561 (180deg=-0.578) 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) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 71:sc= 0.409 USER MOD Single : P 11 SER OG : rot 170:sc= -0.118 USER MOD Single : P 17 SER OG : rot 68:sc= -0.157 USER MOD Single : P 18 THR OG1 : rot -59:sc= 1.15 USER MOD Single : P 21 MET CE :methyl -145:sc= -0.294 (180deg=-1.45) USER MOD Single : P 23 GLN : amide:sc= -2.4! X(o=-2.4!,f=-2) USER MOD Single : P 24 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : P 27 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.4!) USER MOD Single : P 28 ASN : amide:sc= -1.97 K(o=-2,f=-3.2!) USER MOD Single : P 30 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : P 51 MET CE :methyl -168:sc= -0.669 (180deg=-1.25) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 -8.563 -23.488 17.182 1.00 1.00 N ATOM 2 CA ALA P 1 -8.374 -22.656 15.960 1.00 1.00 C ATOM 3 C ALA P 1 -9.465 -22.987 14.948 1.00 1.00 C ATOM 4 O ALA P 1 -10.173 -22.099 14.471 1.00 1.00 O ATOM 5 CB ALA P 1 -6.996 -22.947 15.359 1.00 1.00 C ATOM 0 H1 ALA P 1 -8.105 -23.024 17.992 1.00 1.00 H new ATOM 0 H2 ALA P 1 -9.579 -23.596 17.374 1.00 1.00 H new ATOM 0 H3 ALA P 1 -8.137 -24.425 17.033 1.00 1.00 H new ATOM 0 HA ALA P 1 -8.437 -21.599 16.219 1.00 1.00 H new ATOM 0 HB1 ALA P 1 -6.854 -22.340 14.465 1.00 1.00 H new ATOM 0 HB2 ALA P 1 -6.223 -22.706 16.088 1.00 1.00 H new ATOM 0 HB3 ALA P 1 -6.929 -24.003 15.096 1.00 1.00 H new ATOM 13 N MET P 2 -9.598 -24.269 14.626 1.00 1.00 N ATOM 14 CA MET P 2 -10.609 -24.704 13.669 1.00 1.00 C ATOM 15 C MET P 2 -12.011 -24.497 14.234 1.00 1.00 C ATOM 16 O MET P 2 -12.922 -24.078 13.518 1.00 1.00 O ATOM 17 CB MET P 2 -10.403 -26.179 13.323 1.00 1.00 C ATOM 18 CG MET P 2 -9.090 -26.343 12.560 1.00 1.00 C ATOM 19 SD MET P 2 -8.877 -28.077 12.073 1.00 1.00 S ATOM 20 CE MET P 2 -8.508 -28.759 13.710 1.00 1.00 C ATOM 0 H MET P 2 -9.024 -25.020 15.010 1.00 1.00 H new ATOM 0 HA MET P 2 -10.506 -24.104 12.765 1.00 1.00 H new ATOM 0 HB2 MET P 2 -10.385 -26.778 14.233 1.00 1.00 H new ATOM 0 HB3 MET P 2 -11.235 -26.542 12.719 1.00 1.00 H new ATOM 0 HG2 MET P 2 -9.090 -25.705 11.676 1.00 1.00 H new ATOM 0 HG3 MET P 2 -8.254 -26.025 13.183 1.00 1.00 H new ATOM 0 HE1 MET P 2 -7.989 -29.711 13.599 1.00 1.00 H new ATOM 0 HE2 MET P 2 -7.875 -28.063 14.260 1.00 1.00 H new ATOM 0 HE3 MET P 2 -9.438 -28.914 14.257 1.00 1.00 H new ATOM 30 N GLU P 3 -12.178 -24.796 15.524 1.00 1.00 N ATOM 31 CA GLU P 3 -13.477 -24.643 16.185 1.00 1.00 C ATOM 32 C GLU P 3 -13.644 -23.228 16.732 1.00 1.00 C ATOM 33 O GLU P 3 -14.765 -22.765 16.944 1.00 1.00 O ATOM 34 CB GLU P 3 -13.601 -25.658 17.327 1.00 1.00 C ATOM 35 CG GLU P 3 -14.995 -25.561 17.955 1.00 1.00 C ATOM 36 CD GLU P 3 -15.158 -26.630 19.030 1.00 1.00 C ATOM 37 OE1 GLU P 3 -14.160 -27.221 19.407 1.00 1.00 O ATOM 38 OE2 GLU P 3 -16.281 -26.842 19.460 1.00 1.00 O ATOM 0 H GLU P 3 -11.435 -25.144 16.130 1.00 1.00 H new ATOM 0 HA GLU P 3 -14.261 -24.824 15.450 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -13.431 -26.667 16.950 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -12.838 -25.466 18.081 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -15.139 -24.572 18.389 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -15.758 -25.686 17.187 1.00 1.00 H new ATOM 45 N LYS P 4 -12.529 -22.542 16.959 1.00 1.00 N ATOM 46 CA LYS P 4 -12.585 -21.184 17.480 1.00 1.00 C ATOM 47 C LYS P 4 -13.230 -20.260 16.455 1.00 1.00 C ATOM 48 O LYS P 4 -13.510 -19.096 16.740 1.00 1.00 O ATOM 49 CB LYS P 4 -11.179 -20.678 17.815 1.00 1.00 C ATOM 50 CG LYS P 4 -10.628 -21.451 19.014 1.00 1.00 C ATOM 51 CD LYS P 4 -9.223 -20.947 19.350 1.00 1.00 C ATOM 52 CE LYS P 4 -8.688 -21.698 20.568 1.00 1.00 C ATOM 53 NZ LYS P 4 -7.306 -21.227 20.873 1.00 1.00 N ATOM 0 H LYS P 4 -11.588 -22.899 16.793 1.00 1.00 H new ATOM 0 HA LYS P 4 -13.183 -21.189 18.391 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -10.522 -20.804 16.955 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -11.209 -19.612 18.039 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -11.286 -21.325 19.874 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -10.598 -22.517 18.789 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -8.559 -21.095 18.498 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -9.248 -19.876 19.552 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -9.339 -21.531 21.426 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -8.684 -22.771 20.375 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -6.940 -21.737 21.702 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -6.689 -21.408 20.055 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -7.323 -20.207 21.075 1.00 1.00 H new ATOM 67 N VAL P 5 -13.461 -20.794 15.258 1.00 1.00 N ATOM 68 CA VAL P 5 -14.073 -20.015 14.190 1.00 1.00 C ATOM 69 C VAL P 5 -15.473 -19.574 14.593 1.00 1.00 C ATOM 70 O VAL P 5 -15.849 -18.417 14.409 1.00 1.00 O ATOM 71 CB VAL P 5 -14.132 -20.849 12.906 1.00 1.00 C ATOM 72 CG1 VAL P 5 -14.905 -20.091 11.823 1.00 1.00 C ATOM 73 CG2 VAL P 5 -12.708 -21.117 12.415 1.00 1.00 C ATOM 0 H VAL P 5 -13.235 -21.756 15.006 1.00 1.00 H new ATOM 0 HA VAL P 5 -13.467 -19.127 14.010 1.00 1.00 H new ATOM 0 HB VAL P 5 -14.639 -21.792 13.113 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -14.942 -20.692 10.914 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -15.920 -19.895 12.170 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -14.405 -19.146 11.613 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -12.744 -21.710 11.501 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -12.208 -20.170 12.213 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -12.156 -21.662 13.180 1.00 1.00 H new ATOM 83 N GLN P 6 -16.237 -20.505 15.142 1.00 1.00 N ATOM 84 CA GLN P 6 -17.597 -20.206 15.570 1.00 1.00 C ATOM 85 C GLN P 6 -17.592 -19.177 16.693 1.00 1.00 C ATOM 86 O GLN P 6 -18.378 -18.231 16.691 1.00 1.00 O ATOM 87 CB GLN P 6 -18.287 -21.488 16.039 1.00 1.00 C ATOM 88 CG GLN P 6 -18.510 -22.411 14.840 1.00 1.00 C ATOM 89 CD GLN P 6 -19.110 -23.735 15.298 1.00 1.00 C ATOM 90 OE1 GLN P 6 -18.459 -24.506 16.004 1.00 1.00 O ATOM 91 NE2 GLN P 6 -20.325 -24.044 14.937 1.00 1.00 N ATOM 0 H GLN P 6 -15.942 -21.468 15.302 1.00 1.00 H new ATOM 0 HA GLN P 6 -18.145 -19.791 14.724 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -17.676 -21.989 16.790 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -19.240 -21.250 16.511 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -19.175 -21.931 14.122 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -17.564 -22.590 14.329 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -20.862 -23.403 14.352 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -20.738 -24.926 15.240 1.00 1.00 H new ATOM 100 N TYR P 7 -16.698 -19.368 17.648 1.00 1.00 N ATOM 101 CA TYR P 7 -16.595 -18.448 18.773 1.00 1.00 C ATOM 102 C TYR P 7 -16.219 -17.053 18.282 1.00 1.00 C ATOM 103 O TYR P 7 -16.857 -16.064 18.640 1.00 1.00 O ATOM 104 CB TYR P 7 -15.537 -18.949 19.763 1.00 1.00 C ATOM 105 CG TYR P 7 -15.331 -17.921 20.855 1.00 1.00 C ATOM 106 CD1 TYR P 7 -16.266 -17.806 21.887 1.00 1.00 C ATOM 107 CD2 TYR P 7 -14.207 -17.083 20.831 1.00 1.00 C ATOM 108 CE1 TYR P 7 -16.080 -16.856 22.897 1.00 1.00 C ATOM 109 CE2 TYR P 7 -14.022 -16.132 21.841 1.00 1.00 C ATOM 110 CZ TYR P 7 -14.960 -16.020 22.874 1.00 1.00 C ATOM 111 OH TYR P 7 -14.780 -15.083 23.871 1.00 1.00 O ATOM 0 H TYR P 7 -16.037 -20.144 17.670 1.00 1.00 H new ATOM 0 HA TYR P 7 -17.562 -18.399 19.274 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -15.853 -19.897 20.198 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -14.597 -19.134 19.243 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -17.132 -18.451 21.905 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -13.484 -17.171 20.033 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -16.802 -16.768 23.695 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -13.157 -15.486 21.823 1.00 1.00 H new ATOM 0 HH TYR P 7 -13.952 -14.585 23.706 1.00 1.00 H new ATOM 121 N LEU P 8 -15.179 -16.989 17.464 1.00 1.00 N ATOM 122 CA LEU P 8 -14.719 -15.714 16.930 1.00 1.00 C ATOM 123 C LEU P 8 -15.888 -14.963 16.295 1.00 1.00 C ATOM 124 O LEU P 8 -15.981 -13.743 16.416 1.00 1.00 O ATOM 125 CB LEU P 8 -13.610 -15.952 15.893 1.00 1.00 C ATOM 126 CG LEU P 8 -12.266 -16.252 16.593 1.00 1.00 C ATOM 127 CD1 LEU P 8 -11.311 -16.904 15.586 1.00 1.00 C ATOM 128 CD2 LEU P 8 -11.615 -14.952 17.126 1.00 1.00 C ATOM 0 H LEU P 8 -14.640 -17.799 17.157 1.00 1.00 H new ATOM 0 HA LEU P 8 -14.316 -15.110 17.742 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -13.883 -16.785 15.246 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -13.506 -15.074 15.256 1.00 1.00 H new ATOM 0 HG LEU P 8 -12.456 -16.920 17.433 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -10.360 -17.119 16.073 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -11.748 -17.832 15.218 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -11.145 -16.225 14.750 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -10.670 -15.192 17.614 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -11.432 -14.270 16.296 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -12.284 -14.478 17.844 1.00 1.00 H new ATOM 140 N THR P 9 -16.779 -15.687 15.626 1.00 1.00 N ATOM 141 CA THR P 9 -17.925 -15.041 14.998 1.00 1.00 C ATOM 142 C THR P 9 -18.762 -14.355 16.073 1.00 1.00 C ATOM 143 O THR P 9 -19.168 -13.200 15.918 1.00 1.00 O ATOM 144 CB THR P 9 -18.778 -16.071 14.253 1.00 1.00 C ATOM 145 OG1 THR P 9 -18.004 -16.657 13.213 1.00 1.00 O ATOM 146 CG2 THR P 9 -20.010 -15.390 13.654 1.00 1.00 C ATOM 0 H THR P 9 -16.733 -16.699 15.506 1.00 1.00 H new ATOM 0 HA THR P 9 -17.571 -14.303 14.279 1.00 1.00 H new ATOM 0 HB THR P 9 -19.102 -16.844 14.949 1.00 1.00 H new ATOM 0 HG1 THR P 9 -17.317 -17.237 13.603 1.00 1.00 H new ATOM 0 HG21 THR P 9 -20.613 -16.128 13.125 1.00 1.00 H new ATOM 0 HG22 THR P 9 -20.602 -14.942 14.452 1.00 1.00 H new ATOM 0 HG23 THR P 9 -19.694 -14.614 12.957 1.00 1.00 H new ATOM 154 N ARG P 10 -19.012 -15.071 17.170 1.00 1.00 N ATOM 155 CA ARG P 10 -19.798 -14.510 18.263 1.00 1.00 C ATOM 156 C ARG P 10 -19.087 -13.279 18.802 1.00 1.00 C ATOM 157 O ARG P 10 -19.695 -12.238 19.058 1.00 1.00 O ATOM 158 CB ARG P 10 -19.963 -15.540 19.387 1.00 1.00 C ATOM 159 CG ARG P 10 -20.864 -14.965 20.486 1.00 1.00 C ATOM 160 CD ARG P 10 -21.072 -16.010 21.584 1.00 1.00 C ATOM 161 NE ARG P 10 -22.055 -15.531 22.552 1.00 1.00 N ATOM 162 CZ ARG P 10 -22.412 -16.270 23.597 1.00 1.00 C ATOM 163 NH1 ARG P 10 -21.887 -17.453 23.774 1.00 1.00 N ATOM 164 NH2 ARG P 10 -23.290 -15.814 24.448 1.00 1.00 N ATOM 0 H ARG P 10 -18.686 -16.026 17.322 1.00 1.00 H new ATOM 0 HA ARG P 10 -20.786 -14.239 17.891 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -20.397 -16.458 18.991 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -18.989 -15.800 19.801 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -20.412 -14.067 20.907 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -21.825 -14.671 20.064 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -21.410 -16.948 21.145 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -20.126 -16.215 22.085 1.00 1.00 H new ATOM 0 HE ARG P 10 -22.476 -14.611 22.423 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -21.201 -17.811 23.109 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -22.163 -18.018 24.577 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -23.702 -14.891 24.311 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -23.565 -16.381 25.250 1.00 1.00 H new ATOM 178 N SER P 11 -17.785 -13.421 18.967 1.00 1.00 N ATOM 179 CA SER P 11 -16.962 -12.336 19.470 1.00 1.00 C ATOM 180 C SER P 11 -16.885 -11.216 18.443 1.00 1.00 C ATOM 181 O SER P 11 -16.522 -10.102 18.780 1.00 1.00 O ATOM 182 CB SER P 11 -15.556 -12.844 19.785 1.00 1.00 C ATOM 183 OG SER P 11 -14.885 -11.884 20.594 1.00 1.00 O ATOM 0 H SER P 11 -17.273 -14.279 18.760 1.00 1.00 H new ATOM 0 HA SER P 11 -17.415 -11.951 20.384 1.00 1.00 H new ATOM 0 HB2 SER P 11 -15.609 -13.801 20.303 1.00 1.00 H new ATOM 0 HB3 SER P 11 -15.001 -13.012 18.862 1.00 1.00 H new ATOM 0 HG SER P 11 -14.050 -12.268 20.933 1.00 1.00 H new ATOM 189 N ALA P 12 -17.227 -11.533 17.191 1.00 1.00 N ATOM 190 CA ALA P 12 -17.195 -10.549 16.111 1.00 1.00 C ATOM 191 C ALA P 12 -18.373 -9.587 16.208 1.00 1.00 C ATOM 192 O ALA P 12 -18.251 -8.398 15.911 1.00 1.00 O ATOM 193 CB ALA P 12 -17.214 -11.250 14.748 1.00 1.00 C ATOM 0 H ALA P 12 -17.529 -12.464 16.903 1.00 1.00 H new ATOM 0 HA ALA P 12 -16.272 -9.978 16.210 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -17.190 -10.503 13.954 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -16.344 -11.900 14.661 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -18.122 -11.846 14.658 1.00 1.00 H new ATOM 199 N ILE P 13 -19.519 -10.109 16.624 1.00 1.00 N ATOM 200 CA ILE P 13 -20.719 -9.281 16.757 1.00 1.00 C ATOM 201 C ILE P 13 -20.675 -8.471 18.045 1.00 1.00 C ATOM 202 O ILE P 13 -21.267 -7.394 18.134 1.00 1.00 O ATOM 203 CB ILE P 13 -21.996 -10.131 16.684 1.00 1.00 C ATOM 204 CG1 ILE P 13 -23.217 -9.225 16.897 1.00 1.00 C ATOM 205 CG2 ILE P 13 -21.975 -11.230 17.749 1.00 1.00 C ATOM 206 CD1 ILE P 13 -24.489 -9.953 16.453 1.00 1.00 C ATOM 0 H ILE P 13 -19.647 -11.090 16.874 1.00 1.00 H new ATOM 0 HA ILE P 13 -20.739 -8.585 15.918 1.00 1.00 H new ATOM 0 HB ILE P 13 -22.051 -10.604 15.704 1.00 1.00 H new ATOM 0 HG12 ILE P 13 -23.295 -8.946 17.948 1.00 1.00 H new ATOM 0 HG13 ILE P 13 -23.099 -8.302 16.330 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -22.888 -11.821 17.680 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -21.112 -11.876 17.588 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -21.910 -10.777 18.738 1.00 1.00 H new ATOM 0 HD11 ILE P 13 -25.352 -9.305 16.607 1.00 1.00 H new ATOM 0 HD12 ILE P 13 -24.411 -10.209 15.396 1.00 1.00 H new ATOM 0 HD13 ILE P 13 -24.610 -10.864 17.039 1.00 1.00 H new ATOM 218 N ARG P 14 -19.965 -8.990 19.043 1.00 1.00 N ATOM 219 CA ARG P 14 -19.859 -8.283 20.313 1.00 1.00 C ATOM 220 C ARG P 14 -19.202 -6.930 20.061 1.00 1.00 C ATOM 221 O ARG P 14 -19.613 -5.912 20.600 1.00 1.00 O ATOM 222 CB ARG P 14 -19.032 -9.100 21.311 1.00 1.00 C ATOM 223 CG ARG P 14 -19.040 -8.394 22.672 1.00 1.00 C ATOM 224 CD ARG P 14 -18.297 -9.244 23.706 1.00 1.00 C ATOM 225 NE ARG P 14 -16.876 -9.334 23.367 1.00 1.00 N ATOM 226 CZ ARG P 14 -16.002 -8.417 23.782 1.00 1.00 C ATOM 227 NH1 ARG P 14 -16.405 -7.408 24.504 1.00 1.00 N ATOM 228 NH2 ARG P 14 -14.744 -8.530 23.466 1.00 1.00 N ATOM 0 H ARG P 14 -19.465 -9.878 18.999 1.00 1.00 H new ATOM 0 HA ARG P 14 -20.852 -8.138 20.739 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -19.445 -10.104 21.407 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -18.009 -9.209 20.951 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -18.568 -7.415 22.586 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -20.066 -8.225 22.998 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -18.414 -8.806 24.697 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -18.732 -10.243 23.745 1.00 1.00 H new ATOM 0 HE ARG P 14 -16.547 -10.116 22.801 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -17.390 -7.320 24.752 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -15.735 -6.707 24.821 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -14.429 -9.319 22.902 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -14.074 -7.829 23.783 1.00 1.00 H new ATOM 242 N ARG P 15 -18.164 -6.956 19.248 1.00 1.00 N ATOM 243 CA ARG P 15 -17.412 -5.758 18.913 1.00 1.00 C ATOM 244 C ARG P 15 -18.366 -4.642 18.490 1.00 1.00 C ATOM 245 O ARG P 15 -18.143 -3.469 18.782 1.00 1.00 O ATOM 246 CB ARG P 15 -16.405 -6.033 17.769 1.00 1.00 C ATOM 247 CG ARG P 15 -15.885 -7.463 17.848 1.00 1.00 C ATOM 248 CD ARG P 15 -15.351 -7.788 19.248 1.00 1.00 C ATOM 249 NE ARG P 15 -14.393 -8.884 19.166 1.00 1.00 N ATOM 250 CZ ARG P 15 -13.554 -9.141 20.163 1.00 1.00 C ATOM 251 NH1 ARG P 15 -13.577 -8.405 21.240 1.00 1.00 N ATOM 252 NH2 ARG P 15 -12.709 -10.132 20.067 1.00 1.00 N ATOM 0 H ARG P 15 -17.817 -7.805 18.801 1.00 1.00 H new ATOM 0 HA ARG P 15 -16.857 -5.452 19.800 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -16.886 -5.868 16.805 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -15.572 -5.333 17.834 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -16.685 -8.157 17.592 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -15.093 -7.605 17.113 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -14.875 -6.908 19.680 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -16.175 -8.061 19.908 1.00 1.00 H new ATOM 0 HE ARG P 15 -14.367 -9.464 18.327 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -14.239 -7.633 21.316 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -12.933 -8.602 22.006 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -12.693 -10.709 19.226 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -12.065 -10.329 20.833 1.00 1.00 H new ATOM 266 N ALA P 16 -19.441 -5.010 17.815 1.00 1.00 N ATOM 267 CA ALA P 16 -20.403 -4.009 17.389 1.00 1.00 C ATOM 268 C ALA P 16 -20.900 -3.319 18.634 1.00 1.00 C ATOM 269 O ALA P 16 -21.268 -2.145 18.631 1.00 1.00 O ATOM 270 CB ALA P 16 -21.567 -4.649 16.629 1.00 1.00 C ATOM 0 H ALA P 16 -19.667 -5.970 17.555 1.00 1.00 H new ATOM 0 HA ALA P 16 -19.935 -3.298 16.708 1.00 1.00 H new ATOM 0 HB1 ALA P 16 -22.271 -3.875 16.323 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -21.186 -5.163 15.746 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -22.074 -5.365 17.276 1.00 1.00 H new ATOM 276 N SER P 17 -20.887 -4.088 19.707 1.00 1.00 N ATOM 277 CA SER P 17 -21.319 -3.590 20.998 1.00 1.00 C ATOM 278 C SER P 17 -20.237 -2.671 21.573 1.00 1.00 C ATOM 279 O SER P 17 -20.452 -1.468 21.714 1.00 1.00 O ATOM 280 CB SER P 17 -21.604 -4.750 21.970 1.00 1.00 C ATOM 281 OG SER P 17 -22.095 -5.865 21.233 1.00 1.00 O ATOM 0 H SER P 17 -20.581 -5.061 19.709 1.00 1.00 H new ATOM 0 HA SER P 17 -22.244 -3.029 20.867 1.00 1.00 H new ATOM 0 HB2 SER P 17 -20.695 -5.024 22.505 1.00 1.00 H new ATOM 0 HB3 SER P 17 -22.334 -4.443 22.718 1.00 1.00 H new ATOM 0 HG SER P 17 -21.381 -6.220 20.663 1.00 1.00 H new ATOM 287 N THR P 18 -19.066 -3.244 21.924 1.00 1.00 N ATOM 288 CA THR P 18 -17.963 -2.456 22.503 1.00 1.00 C ATOM 289 C THR P 18 -16.602 -2.723 21.848 1.00 1.00 C ATOM 290 O THR P 18 -15.605 -2.882 22.555 1.00 1.00 O ATOM 291 CB THR P 18 -17.862 -2.735 24.010 1.00 1.00 C ATOM 292 OG1 THR P 18 -16.744 -2.040 24.546 1.00 1.00 O ATOM 293 CG2 THR P 18 -17.697 -4.235 24.263 1.00 1.00 C ATOM 0 H THR P 18 -18.863 -4.238 21.817 1.00 1.00 H new ATOM 0 HA THR P 18 -18.204 -1.410 22.313 1.00 1.00 H new ATOM 0 HB THR P 18 -18.777 -2.393 24.494 1.00 1.00 H new ATOM 0 HG1 THR P 18 -15.927 -2.339 24.095 1.00 1.00 H new ATOM 0 HG21 THR P 18 -17.627 -4.418 25.335 1.00 1.00 H new ATOM 0 HG22 THR P 18 -18.557 -4.769 23.860 1.00 1.00 H new ATOM 0 HG23 THR P 18 -16.789 -4.589 23.775 1.00 1.00 H new ATOM 301 N ILE P 19 -16.566 -2.758 20.504 1.00 1.00 N ATOM 302 CA ILE P 19 -15.300 -2.991 19.759 1.00 1.00 C ATOM 303 C ILE P 19 -14.140 -2.312 20.494 1.00 1.00 C ATOM 304 O ILE P 19 -12.996 -2.761 20.438 1.00 1.00 O ATOM 305 CB ILE P 19 -15.434 -2.437 18.332 1.00 1.00 C ATOM 306 CG1 ILE P 19 -14.058 -2.393 17.647 1.00 1.00 C ATOM 307 CG2 ILE P 19 -16.031 -1.034 18.387 1.00 1.00 C ATOM 308 CD1 ILE P 19 -14.233 -2.252 16.131 1.00 1.00 C ATOM 0 H ILE P 19 -17.385 -2.630 19.910 1.00 1.00 H new ATOM 0 HA ILE P 19 -15.098 -4.061 19.701 1.00 1.00 H new ATOM 0 HB ILE P 19 -16.090 -3.089 17.756 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -13.476 -1.556 18.034 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -13.500 -3.301 17.874 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -16.127 -0.639 17.375 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -17.015 -1.075 18.855 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -15.379 -0.384 18.970 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -13.254 -2.222 15.653 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -14.797 -3.103 15.749 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -14.773 -1.331 15.911 1.00 1.00 H new ATOM 320 N GLU P 20 -14.479 -1.234 21.199 1.00 1.00 N ATOM 321 CA GLU P 20 -13.514 -0.466 21.985 1.00 1.00 C ATOM 322 C GLU P 20 -13.720 -0.836 23.448 1.00 1.00 C ATOM 323 O GLU P 20 -14.393 -0.119 24.189 1.00 1.00 O ATOM 324 CB GLU P 20 -13.754 1.036 21.796 1.00 1.00 C ATOM 325 CG GLU P 20 -12.722 1.836 22.599 1.00 1.00 C ATOM 326 CD GLU P 20 -12.969 3.327 22.414 1.00 1.00 C ATOM 327 OE1 GLU P 20 -13.669 3.682 21.481 1.00 1.00 O ATOM 328 OE2 GLU P 20 -12.451 4.091 23.209 1.00 1.00 O ATOM 0 H GLU P 20 -15.430 -0.868 21.242 1.00 1.00 H new ATOM 0 HA GLU P 20 -12.497 -0.692 21.665 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -13.684 1.294 20.739 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -14.761 1.296 22.122 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -12.788 1.575 23.655 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -11.715 1.581 22.270 1.00 1.00 H new ATOM 335 N MET P 21 -13.149 -1.964 23.855 1.00 1.00 N ATOM 336 CA MET P 21 -13.290 -2.430 25.233 1.00 1.00 C ATOM 337 C MET P 21 -12.439 -1.608 26.212 1.00 1.00 C ATOM 338 O MET P 21 -12.966 -1.101 27.202 1.00 1.00 O ATOM 339 CB MET P 21 -12.925 -3.949 25.317 1.00 1.00 C ATOM 340 CG MET P 21 -14.133 -4.821 25.728 1.00 1.00 C ATOM 341 SD MET P 21 -14.832 -4.238 27.300 1.00 1.00 S ATOM 342 CE MET P 21 -13.339 -4.383 28.310 1.00 1.00 C ATOM 0 H MET P 21 -12.588 -2.570 23.257 1.00 1.00 H new ATOM 0 HA MET P 21 -14.330 -2.293 25.529 1.00 1.00 H new ATOM 0 HB2 MET P 21 -12.550 -4.284 24.350 1.00 1.00 H new ATOM 0 HB3 MET P 21 -12.118 -4.087 26.037 1.00 1.00 H new ATOM 0 HG2 MET P 21 -14.895 -4.787 24.949 1.00 1.00 H new ATOM 0 HG3 MET P 21 -13.822 -5.861 25.825 1.00 1.00 H new ATOM 0 HE1 MET P 21 -13.612 -4.683 29.322 1.00 1.00 H new ATOM 0 HE2 MET P 21 -12.677 -5.132 27.875 1.00 1.00 H new ATOM 0 HE3 MET P 21 -12.827 -3.421 28.343 1.00 1.00 H new ATOM 352 N PRO P 22 -11.154 -1.466 25.986 1.00 1.00 N ATOM 353 CA PRO P 22 -10.284 -0.701 26.902 1.00 1.00 C ATOM 354 C PRO P 22 -10.041 0.722 26.413 1.00 1.00 C ATOM 355 O PRO P 22 -10.862 1.618 26.610 1.00 1.00 O ATOM 356 CB PRO P 22 -9.005 -1.545 26.880 1.00 1.00 C ATOM 357 CG PRO P 22 -8.914 -2.071 25.457 1.00 1.00 C ATOM 358 CD PRO P 22 -10.347 -1.993 24.863 1.00 1.00 C ATOM 0 HA PRO P 22 -10.706 -0.560 27.897 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -8.131 -0.946 27.138 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -9.056 -2.361 27.601 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -8.217 -1.475 24.867 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -8.545 -3.097 25.446 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -10.387 -1.335 23.995 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -10.701 -2.971 24.538 1.00 1.00 H new ATOM 366 N GLN P 23 -8.898 0.898 25.780 1.00 1.00 N ATOM 367 CA GLN P 23 -8.483 2.199 25.238 1.00 1.00 C ATOM 368 C GLN P 23 -7.437 1.999 24.142 1.00 1.00 C ATOM 369 O GLN P 23 -7.183 2.898 23.340 1.00 1.00 O ATOM 370 CB GLN P 23 -7.838 3.075 26.329 1.00 1.00 C ATOM 371 CG GLN P 23 -8.843 3.503 27.412 1.00 1.00 C ATOM 372 CD GLN P 23 -10.011 4.268 26.797 1.00 1.00 C ATOM 373 OE1 GLN P 23 -9.813 5.109 25.919 1.00 1.00 O ATOM 374 NE2 GLN P 23 -11.223 4.028 27.212 1.00 1.00 N ATOM 0 H GLN P 23 -8.223 0.150 25.621 1.00 1.00 H new ATOM 0 HA GLN P 23 -9.376 2.686 24.846 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -7.019 2.526 26.794 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -7.405 3.963 25.868 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -9.215 2.623 27.937 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -8.343 4.128 28.152 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -11.384 3.331 27.939 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -12.010 4.537 26.810 1.00 1.00 H new ATOM 383 N GLN P 24 -6.830 0.817 24.116 1.00 1.00 N ATOM 384 CA GLN P 24 -5.814 0.506 23.128 1.00 1.00 C ATOM 385 C GLN P 24 -6.472 0.134 21.819 1.00 1.00 C ATOM 386 O GLN P 24 -5.829 0.084 20.779 1.00 1.00 O ATOM 387 CB GLN P 24 -4.936 -0.638 23.633 1.00 1.00 C ATOM 388 CG GLN P 24 -4.136 -0.154 24.847 1.00 1.00 C ATOM 389 CD GLN P 24 -3.266 -1.280 25.397 1.00 1.00 C ATOM 390 OE1 GLN P 24 -2.479 -1.874 24.662 1.00 1.00 O ATOM 391 NE2 GLN P 24 -3.365 -1.609 26.656 1.00 1.00 N ATOM 0 H GLN P 24 -7.027 0.060 24.771 1.00 1.00 H new ATOM 0 HA GLN P 24 -5.185 1.381 22.965 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -5.553 -1.494 23.906 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -4.260 -0.970 22.845 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -3.510 0.692 24.564 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -4.817 0.199 25.622 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -4.019 -1.114 27.263 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -2.789 -2.361 27.033 1.00 1.00 H new ATOM 400 N ALA P 25 -7.766 -0.121 21.886 1.00 1.00 N ATOM 401 CA ALA P 25 -8.516 -0.481 20.702 1.00 1.00 C ATOM 402 C ALA P 25 -8.477 0.688 19.722 1.00 1.00 C ATOM 403 O ALA P 25 -8.501 0.503 18.510 1.00 1.00 O ATOM 404 CB ALA P 25 -9.961 -0.817 21.095 1.00 1.00 C ATOM 0 H ALA P 25 -8.315 -0.085 22.745 1.00 1.00 H new ATOM 0 HA ALA P 25 -8.078 -1.358 20.226 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -10.527 -1.088 20.204 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -9.963 -1.653 21.794 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -10.421 0.051 21.566 1.00 1.00 H new ATOM 410 N ARG P 26 -8.421 1.894 20.266 1.00 1.00 N ATOM 411 CA ARG P 26 -8.384 3.088 19.433 1.00 1.00 C ATOM 412 C ARG P 26 -7.113 3.131 18.588 1.00 1.00 C ATOM 413 O ARG P 26 -7.171 3.365 17.379 1.00 1.00 O ATOM 414 CB ARG P 26 -8.466 4.340 20.310 1.00 1.00 C ATOM 415 CG ARG P 26 -9.873 4.448 20.903 1.00 1.00 C ATOM 416 CD ARG P 26 -9.951 5.645 21.848 1.00 1.00 C ATOM 417 NE ARG P 26 -9.836 6.893 21.105 1.00 1.00 N ATOM 418 CZ ARG P 26 -9.839 8.062 21.737 1.00 1.00 C ATOM 419 NH1 ARG P 26 -9.938 8.093 23.038 1.00 1.00 N ATOM 420 NH2 ARG P 26 -9.742 9.173 21.060 1.00 1.00 N ATOM 0 H ARG P 26 -8.400 2.072 21.270 1.00 1.00 H new ATOM 0 HA ARG P 26 -9.241 3.058 18.760 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -7.725 4.289 21.108 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -8.238 5.228 19.720 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -10.606 4.557 20.104 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -10.121 3.533 21.441 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -10.895 5.625 22.392 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -9.155 5.582 22.590 1.00 1.00 H new ATOM 0 HE ARG P 26 -9.752 6.869 20.089 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -10.013 7.223 23.565 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -9.941 8.988 23.528 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -9.664 9.146 20.043 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -9.745 10.069 21.547 1.00 1.00 H new ATOM 434 N GLN P 27 -5.952 2.908 19.208 1.00 1.00 N ATOM 435 CA GLN P 27 -4.688 2.934 18.472 1.00 1.00 C ATOM 436 C GLN P 27 -4.395 1.583 17.827 1.00 1.00 C ATOM 437 O GLN P 27 -3.804 1.524 16.748 1.00 1.00 O ATOM 438 CB GLN P 27 -3.544 3.303 19.424 1.00 1.00 C ATOM 439 CG GLN P 27 -2.229 3.394 18.643 1.00 1.00 C ATOM 440 CD GLN P 27 -1.111 3.892 19.551 1.00 1.00 C ATOM 441 OE1 GLN P 27 -1.373 4.501 20.587 1.00 1.00 O ATOM 442 NE2 GLN P 27 0.131 3.663 19.221 1.00 1.00 N ATOM 0 H GLN P 27 -5.861 2.710 20.204 1.00 1.00 H new ATOM 0 HA GLN P 27 -4.771 3.681 17.682 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -3.756 4.255 19.910 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -3.459 2.555 20.212 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -1.970 2.416 18.238 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -2.347 4.069 17.795 1.00 1.00 H new ATOM 0 HE21 GLN P 27 0.345 3.158 18.361 1.00 1.00 H new ATOM 0 HE22 GLN P 27 0.887 3.989 19.823 1.00 1.00 H new ATOM 451 N ASN P 28 -4.804 0.499 18.483 1.00 1.00 N ATOM 452 CA ASN P 28 -4.557 -0.829 17.925 1.00 2.25 C ATOM 453 C ASN P 28 -5.301 -0.996 16.615 1.00 1.00 C ATOM 454 O ASN P 28 -4.760 -1.516 15.642 1.00 1.00 O ATOM 455 CB ASN P 28 -4.988 -1.925 18.903 1.00 1.00 C ATOM 456 CG ASN P 28 -4.029 -1.970 20.086 1.00 1.00 C ATOM 457 OD1 ASN P 28 -2.948 -1.384 20.030 1.00 1.00 O ATOM 458 ND2 ASN P 28 -4.356 -2.637 21.158 1.00 1.00 N ATOM 0 H ASN P 28 -5.295 0.510 19.377 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.486 -0.923 17.747 1.00 2.25 H new ATOM 0 HB2 ASN P 28 -6.002 -1.734 19.253 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.002 -2.891 18.398 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -3.716 -2.673 21.951 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -5.252 -3.122 21.203 1.00 1.00 H new ATOM 465 N LEU P 29 -6.540 -0.544 16.594 1.00 1.00 N ATOM 466 CA LEU P 29 -7.342 -0.643 15.394 1.00 2.15 C ATOM 467 C LEU P 29 -6.757 0.261 14.332 1.00 1.00 C ATOM 468 O LEU P 29 -6.698 -0.103 13.155 1.00 1.00 O ATOM 469 CB LEU P 29 -8.797 -0.264 15.680 1.00 1.00 C ATOM 470 CG LEU P 29 -9.461 -1.339 16.565 1.00 1.00 C ATOM 471 CD1 LEU P 29 -10.815 -0.821 17.068 1.00 1.00 C ATOM 472 CD2 LEU P 29 -9.671 -2.655 15.765 1.00 1.00 C ATOM 0 H LEU P 29 -7.009 -0.108 17.388 1.00 1.00 H new ATOM 0 HA LEU P 29 -7.331 -1.674 15.040 1.00 2.15 H new ATOM 0 HB2 LEU P 29 -8.837 0.704 16.179 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -9.345 -0.163 14.743 1.00 1.00 H new ATOM 0 HG LEU P 29 -8.807 -1.548 17.412 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -11.285 -1.580 17.693 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -10.663 0.087 17.651 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -11.460 -0.602 16.217 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -10.140 -3.400 16.407 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -10.313 -2.460 14.906 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -8.707 -3.029 15.420 1.00 1.00 H new ATOM 484 N GLN P 30 -6.310 1.447 14.744 1.00 1.00 N ATOM 485 CA GLN P 30 -5.723 2.371 13.796 1.00 2.72 C ATOM 486 C GLN P 30 -4.363 1.859 13.341 1.00 1.00 C ATOM 487 O GLN P 30 -3.931 2.139 12.222 1.00 1.00 O ATOM 488 CB GLN P 30 -5.591 3.761 14.415 1.00 1.00 C ATOM 489 CG GLN P 30 -6.981 4.377 14.567 1.00 1.00 C ATOM 490 CD GLN P 30 -6.895 5.696 15.328 1.00 1.00 C ATOM 491 OE1 GLN P 30 -5.804 6.144 15.679 1.00 1.00 O ATOM 492 NE2 GLN P 30 -7.991 6.347 15.606 1.00 1.00 N ATOM 0 H GLN P 30 -6.345 1.779 15.708 1.00 1.00 H new ATOM 0 HA GLN P 30 -6.378 2.444 12.928 1.00 2.72 H new ATOM 0 HB2 GLN P 30 -5.101 3.695 15.387 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -4.966 4.395 13.786 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -7.421 4.544 13.584 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -7.637 3.686 15.097 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -8.894 5.973 15.314 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -7.945 7.229 16.115 1.00 1.00 H new ATOM 501 N ASN P 31 -3.685 1.110 14.210 1.00 1.00 N ATOM 502 CA ASN P 31 -2.371 0.570 13.873 1.00 2.22 C ATOM 503 C ASN P 31 -2.472 -0.358 12.679 1.00 1.00 C ATOM 504 O ASN P 31 -1.660 -0.295 11.765 1.00 1.00 O ATOM 505 CB ASN P 31 -1.794 -0.194 15.067 1.00 1.00 C ATOM 506 CG ASN P 31 -0.467 -0.844 14.685 1.00 1.00 C ATOM 507 OD1 ASN P 31 -0.313 -2.058 14.814 1.00 1.00 O ATOM 508 ND2 ASN P 31 0.504 -0.106 14.220 1.00 1.00 N ATOM 0 H ASN P 31 -4.020 0.866 15.142 1.00 1.00 H new ATOM 0 HA ASN P 31 -1.711 1.401 13.623 1.00 2.22 H new ATOM 0 HB2 ASN P 31 -1.646 0.486 15.906 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -2.500 -0.957 15.395 1.00 1.00 H new ATOM 0 HD21 ASN P 31 1.393 -0.535 13.963 1.00 1.00 H new ATOM 0 HD22 ASN P 31 0.374 0.900 14.114 1.00 1.00 H new ATOM 515 N LEU P 32 -3.473 -1.217 12.695 1.00 1.00 N ATOM 516 CA LEU P 32 -3.666 -2.146 11.607 1.00 2.27 C ATOM 517 C LEU P 32 -3.934 -1.346 10.352 1.00 1.00 C ATOM 518 O LEU P 32 -3.407 -1.646 9.297 1.00 1.00 O ATOM 519 CB LEU P 32 -4.835 -3.118 11.900 1.00 1.00 C ATOM 520 CG LEU P 32 -4.360 -4.321 12.740 1.00 1.00 C ATOM 521 CD1 LEU P 32 -4.087 -3.902 14.187 1.00 1.00 C ATOM 522 CD2 LEU P 32 -5.457 -5.390 12.735 1.00 1.00 C ATOM 0 H LEU P 32 -4.159 -1.288 13.446 1.00 1.00 H new ATOM 0 HA LEU P 32 -2.772 -2.756 11.480 1.00 2.27 H new ATOM 0 HB2 LEU P 32 -5.627 -2.590 12.431 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.262 -3.472 10.961 1.00 1.00 H new ATOM 0 HG LEU P 32 -3.438 -4.709 12.307 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -3.753 -4.767 14.760 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -3.313 -3.135 14.204 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -5.001 -3.505 14.629 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -5.133 -6.247 13.326 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -6.370 -4.977 13.165 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -5.650 -5.708 11.711 1.00 1.00 H new ATOM 534 N PHE P 33 -4.752 -0.319 10.482 1.00 1.00 N ATOM 535 CA PHE P 33 -5.072 0.520 9.337 1.00 2.54 C ATOM 536 C PHE P 33 -3.806 1.187 8.815 1.00 1.00 C ATOM 537 O PHE P 33 -3.529 1.170 7.616 1.00 1.00 O ATOM 538 CB PHE P 33 -6.088 1.591 9.733 1.00 1.00 C ATOM 539 CG PHE P 33 -6.391 2.463 8.534 1.00 1.00 C ATOM 540 CD1 PHE P 33 -7.216 1.979 7.509 1.00 1.00 C ATOM 541 CD2 PHE P 33 -5.852 3.753 8.446 1.00 1.00 C ATOM 542 CE1 PHE P 33 -7.498 2.785 6.399 1.00 1.00 C ATOM 543 CE2 PHE P 33 -6.135 4.558 7.335 1.00 1.00 C ATOM 544 CZ PHE P 33 -6.957 4.074 6.311 1.00 1.00 C ATOM 0 H PHE P 33 -5.203 -0.046 11.355 1.00 1.00 H new ATOM 0 HA PHE P 33 -5.502 -0.105 8.555 1.00 2.54 H new ATOM 0 HB2 PHE P 33 -7.003 1.123 10.097 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -5.694 2.198 10.548 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -7.634 0.985 7.575 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -5.217 4.127 9.236 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -8.134 2.412 5.610 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -5.719 5.552 7.269 1.00 1.00 H new ATOM 0 HZ PHE P 33 -7.174 4.694 5.454 1.00 1.00 H new ATOM 554 N ILE P 34 -3.041 1.774 9.732 1.00 1.00 N ATOM 555 CA ILE P 34 -1.800 2.449 9.364 1.00 2.56 C ATOM 556 C ILE P 34 -0.773 1.452 8.816 1.00 1.00 C ATOM 557 O ILE P 34 -0.169 1.688 7.769 1.00 1.00 O ATOM 558 CB ILE P 34 -1.236 3.186 10.588 1.00 1.00 C ATOM 559 CG1 ILE P 34 -2.164 4.351 10.944 1.00 1.00 C ATOM 560 CG2 ILE P 34 0.160 3.733 10.279 1.00 1.00 C ATOM 561 CD1 ILE P 34 -1.805 4.895 12.327 1.00 1.00 C ATOM 0 H ILE P 34 -3.257 1.796 10.729 1.00 1.00 H new ATOM 0 HA ILE P 34 -2.013 3.171 8.576 1.00 2.56 H new ATOM 0 HB ILE P 34 -1.169 2.490 11.424 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -2.074 5.141 10.198 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -3.202 4.018 10.932 1.00 1.00 H new ATOM 0 HG21 ILE P 34 0.549 4.253 11.154 1.00 1.00 H new ATOM 0 HG22 ILE P 34 0.825 2.909 10.022 1.00 1.00 H new ATOM 0 HG23 ILE P 34 0.101 4.427 9.441 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -2.468 5.724 12.575 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -1.918 4.105 13.069 1.00 1.00 H new ATOM 0 HD13 ILE P 34 -0.773 5.245 12.324 1.00 1.00 H new ATOM 573 N ASN P 35 -0.580 0.341 9.525 1.00 1.00 N ATOM 574 CA ASN P 35 0.369 -0.673 9.097 1.00 2.51 C ATOM 575 C ASN P 35 -0.111 -1.289 7.803 1.00 1.00 C ATOM 576 O ASN P 35 0.655 -1.467 6.855 1.00 1.00 O ATOM 577 CB ASN P 35 0.506 -1.757 10.171 1.00 1.00 C ATOM 578 CG ASN P 35 1.319 -1.228 11.348 1.00 1.00 C ATOM 579 OD1 ASN P 35 1.280 -1.856 12.492 1.00 1.00 O flip ATOM 580 ND2 ASN P 35 2.006 -0.217 11.221 1.00 1.00 N flip ATOM 0 H ASN P 35 -1.068 0.125 10.394 1.00 1.00 H new ATOM 0 HA ASN P 35 1.344 -0.211 8.943 1.00 2.51 H new ATOM 0 HB2 ASN P 35 -0.481 -2.069 10.512 1.00 1.00 H new ATOM 0 HB3 ASN P 35 0.991 -2.638 9.750 1.00 1.00 H new ATOM 0 HD21 ASN P 35 2.034 0.271 10.326 1.00 1.00 H new ATOM 0 HD22 ASN P 35 2.548 0.134 12.011 1.00 1.00 H new ATOM 587 N PHE P 36 -1.393 -1.615 7.779 1.00 1.00 N ATOM 588 CA PHE P 36 -1.987 -2.221 6.594 1.00 2.41 C ATOM 589 C PHE P 36 -1.925 -1.267 5.407 1.00 1.00 C ATOM 590 O PHE P 36 -1.865 -1.700 4.251 1.00 1.00 O ATOM 591 CB PHE P 36 -3.440 -2.644 6.844 1.00 1.00 C ATOM 592 CG PHE P 36 -3.987 -3.353 5.621 1.00 1.00 C ATOM 593 CD1 PHE P 36 -3.446 -4.586 5.235 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.034 -2.786 4.879 1.00 1.00 C ATOM 595 CE1 PHE P 36 -3.948 -5.250 4.110 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.535 -3.451 3.755 1.00 1.00 C ATOM 597 CZ PHE P 36 -4.992 -4.682 3.370 1.00 1.00 C ATOM 0 H PHE P 36 -2.038 -1.473 8.556 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.405 -3.114 6.364 1.00 2.41 H new ATOM 0 HB2 PHE P 36 -3.492 -3.303 7.711 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -4.049 -1.769 7.071 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -2.641 -5.025 5.806 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.453 -1.836 5.176 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -3.530 -6.200 3.813 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.341 -3.014 3.184 1.00 1.00 H new ATOM 0 HZ PHE P 36 -5.379 -5.194 2.501 1.00 1.00 H new ATOM 607 N ALA P 37 -1.925 0.031 5.683 1.00 1.00 N ATOM 608 CA ALA P 37 -1.855 1.018 4.621 1.00 1.90 C ATOM 609 C ALA P 37 -0.431 1.089 4.070 1.00 1.00 C ATOM 610 O ALA P 37 -0.225 1.273 2.874 1.00 1.00 O ATOM 611 CB ALA P 37 -2.269 2.393 5.151 1.00 1.00 C ATOM 0 H ALA P 37 -1.972 0.419 6.625 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.537 0.724 3.823 1.00 1.90 H new ATOM 0 HB1 ALA P 37 -2.213 3.125 4.346 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -3.291 2.345 5.527 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.599 2.689 5.958 1.00 1.00 H new ATOM 617 N LEU P 38 0.548 0.941 4.965 1.00 1.00 N ATOM 618 CA LEU P 38 1.959 0.989 4.573 1.00 2.08 C ATOM 619 C LEU P 38 2.284 -0.141 3.595 1.00 1.00 C ATOM 620 O LEU P 38 3.027 0.061 2.633 1.00 1.00 O ATOM 621 CB LEU P 38 2.865 0.886 5.814 1.00 1.00 C ATOM 622 CG LEU P 38 2.924 2.232 6.559 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.560 2.012 7.939 1.00 1.00 C ATOM 624 CD2 LEU P 38 3.759 3.274 5.765 1.00 1.00 C ATOM 0 H LEU P 38 0.392 0.788 5.961 1.00 1.00 H new ATOM 0 HA LEU P 38 2.144 1.943 4.079 1.00 2.08 H new ATOM 0 HB2 LEU P 38 2.488 0.111 6.482 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.869 0.587 5.513 1.00 1.00 H new ATOM 0 HG LEU P 38 1.910 2.617 6.666 1.00 1.00 H new ATOM 0 HD11 LEU P 38 3.606 2.961 8.474 1.00 1.00 H new ATOM 0 HD12 LEU P 38 2.958 1.303 8.508 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.568 1.616 7.816 1.00 1.00 H new ATOM 0 HD21 LEU P 38 3.784 4.215 6.314 1.00 1.00 H new ATOM 0 HD22 LEU P 38 4.776 2.903 5.635 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.304 3.436 4.788 1.00 1.00 H new ATOM 636 N ILE P 39 1.724 -1.323 3.835 1.00 1.00 N ATOM 637 CA ILE P 39 1.971 -2.455 2.948 1.00 2.71 C ATOM 638 C ILE P 39 1.395 -2.130 1.575 1.00 1.00 C ATOM 639 O ILE P 39 2.022 -2.379 0.545 1.00 1.00 O ATOM 640 CB ILE P 39 1.314 -3.722 3.505 1.00 1.00 C ATOM 641 CG1 ILE P 39 2.036 -4.145 4.788 1.00 1.00 C ATOM 642 CG2 ILE P 39 1.409 -4.852 2.477 1.00 1.00 C ATOM 643 CD1 ILE P 39 1.221 -5.218 5.506 1.00 1.00 C ATOM 0 H ILE P 39 1.106 -1.521 4.622 1.00 1.00 H new ATOM 0 HA ILE P 39 3.044 -2.633 2.871 1.00 2.71 H new ATOM 0 HB ILE P 39 0.265 -3.518 3.720 1.00 1.00 H new ATOM 0 HG12 ILE P 39 3.029 -4.527 4.549 1.00 1.00 H new ATOM 0 HG13 ILE P 39 2.175 -3.283 5.440 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.940 -5.750 2.879 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.898 -4.555 1.561 1.00 1.00 H new ATOM 0 HG23 ILE P 39 2.457 -5.057 2.258 1.00 1.00 H new ATOM 0 HD11 ILE P 39 1.737 -5.517 6.418 1.00 1.00 H new ATOM 0 HD12 ILE P 39 0.238 -4.820 5.759 1.00 1.00 H new ATOM 0 HD13 ILE P 39 1.105 -6.084 4.854 1.00 1.00 H new ATOM 655 N LEU P 40 0.195 -1.563 1.584 1.00 1.00 N ATOM 656 CA LEU P 40 -0.455 -1.201 0.334 1.00 2.51 C ATOM 657 C LEU P 40 0.395 -0.145 -0.378 1.00 1.00 C ATOM 658 O LEU P 40 0.641 -0.237 -1.578 1.00 1.00 O ATOM 659 CB LEU P 40 -1.861 -0.658 0.599 1.00 1.00 C ATOM 660 CG LEU P 40 -2.776 -1.781 1.113 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.088 -1.164 1.612 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.073 -2.809 -0.012 1.00 1.00 C ATOM 0 H LEU P 40 -0.338 -1.348 2.426 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.547 -2.085 -0.297 1.00 2.51 H new ATOM 0 HB2 LEU P 40 -1.815 0.148 1.332 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.273 -0.233 -0.316 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.275 -2.304 1.927 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -4.745 -1.953 1.979 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -3.876 -0.463 2.419 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -4.577 -0.637 0.793 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -3.722 -3.594 0.375 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.567 -2.306 -0.843 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.138 -3.249 -0.359 1.00 1.00 H new ATOM 674 N ILE P 41 0.837 0.854 0.383 1.00 1.00 N ATOM 675 CA ILE P 41 1.655 1.921 -0.170 1.00 1.99 C ATOM 676 C ILE P 41 2.987 1.373 -0.698 1.00 1.00 C ATOM 677 O ILE P 41 3.397 1.701 -1.811 1.00 1.00 O ATOM 678 CB ILE P 41 1.891 2.985 0.910 1.00 1.00 C ATOM 679 CG1 ILE P 41 0.575 3.720 1.188 1.00 1.00 C ATOM 680 CG2 ILE P 41 2.938 3.990 0.442 1.00 1.00 C ATOM 681 CD1 ILE P 41 0.702 4.533 2.475 1.00 1.00 C ATOM 0 H ILE P 41 0.641 0.943 1.380 1.00 1.00 H new ATOM 0 HA ILE P 41 1.132 2.374 -1.012 1.00 1.99 H new ATOM 0 HB ILE P 41 2.247 2.498 1.818 1.00 1.00 H new ATOM 0 HG12 ILE P 41 0.331 4.378 0.354 1.00 1.00 H new ATOM 0 HG13 ILE P 41 -0.241 3.003 1.278 1.00 1.00 H new ATOM 0 HG21 ILE P 41 3.096 4.739 1.218 1.00 1.00 H new ATOM 0 HG22 ILE P 41 3.876 3.472 0.242 1.00 1.00 H new ATOM 0 HG23 ILE P 41 2.592 4.478 -0.469 1.00 1.00 H new ATOM 0 HD11 ILE P 41 -0.235 5.054 2.670 1.00 1.00 H new ATOM 0 HD12 ILE P 41 0.925 3.865 3.307 1.00 1.00 H new ATOM 0 HD13 ILE P 41 1.507 5.261 2.368 1.00 1.00 H new ATOM 693 N PHE P 42 3.660 0.546 0.096 1.00 1.00 N ATOM 694 CA PHE P 42 4.940 -0.019 -0.327 1.00 2.36 C ATOM 695 C PHE P 42 4.776 -0.815 -1.622 1.00 1.00 C ATOM 696 O PHE P 42 5.574 -0.680 -2.550 1.00 1.00 O ATOM 697 CB PHE P 42 5.503 -0.922 0.775 1.00 1.00 C ATOM 698 CG PHE P 42 6.878 -1.405 0.375 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.986 -0.561 0.520 1.00 1.00 C ATOM 700 CD2 PHE P 42 7.048 -2.697 -0.139 1.00 1.00 C ATOM 701 CE1 PHE P 42 9.260 -1.005 0.150 1.00 1.00 C ATOM 702 CE2 PHE P 42 8.323 -3.142 -0.509 1.00 1.00 C ATOM 703 CZ PHE P 42 9.429 -2.296 -0.365 1.00 1.00 C ATOM 0 H PHE P 42 3.348 0.255 1.022 1.00 1.00 H new ATOM 0 HA PHE P 42 5.636 0.799 -0.510 1.00 2.36 H new ATOM 0 HB2 PHE P 42 5.557 -0.375 1.716 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.840 -1.772 0.938 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.857 0.435 0.918 1.00 1.00 H new ATOM 0 HD2 PHE P 42 6.195 -3.350 -0.250 1.00 1.00 H new ATOM 0 HE1 PHE P 42 10.113 -0.352 0.262 1.00 1.00 H new ATOM 0 HE2 PHE P 42 8.453 -4.138 -0.906 1.00 1.00 H new ATOM 0 HZ PHE P 42 10.412 -2.639 -0.651 1.00 1.00 H new ATOM 713 N LEU P 43 3.739 -1.640 -1.675 1.00 1.00 N ATOM 714 CA LEU P 43 3.475 -2.455 -2.856 1.00 2.47 C ATOM 715 C LEU P 43 3.201 -1.561 -4.064 1.00 1.00 C ATOM 716 O LEU P 43 3.637 -1.851 -5.174 1.00 1.00 O ATOM 717 CB LEU P 43 2.279 -3.385 -2.600 1.00 1.00 C ATOM 718 CG LEU P 43 2.658 -4.483 -1.585 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.384 -5.185 -1.105 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.612 -5.524 -2.228 1.00 1.00 C ATOM 0 H LEU P 43 3.068 -1.763 -0.917 1.00 1.00 H new ATOM 0 HA LEU P 43 4.354 -3.064 -3.066 1.00 2.47 H new ATOM 0 HB2 LEU P 43 1.436 -2.807 -2.222 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.959 -3.842 -3.536 1.00 1.00 H new ATOM 0 HG LEU P 43 3.171 -4.020 -0.742 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.645 -5.962 -0.387 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.725 -4.458 -0.629 1.00 1.00 H new ATOM 0 HD13 LEU P 43 0.873 -5.634 -1.957 1.00 1.00 H new ATOM 0 HD21 LEU P 43 3.865 -6.288 -1.493 1.00 1.00 H new ATOM 0 HD22 LEU P 43 3.120 -5.990 -3.081 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.522 -5.026 -2.562 1.00 1.00 H new ATOM 732 N LEU P 44 2.487 -0.467 -3.845 1.00 1.00 N ATOM 733 CA LEU P 44 2.184 0.452 -4.931 1.00 2.21 C ATOM 734 C LEU P 44 3.460 1.128 -5.432 1.00 1.00 C ATOM 735 O LEU P 44 3.604 1.374 -6.629 1.00 1.00 O ATOM 736 CB LEU P 44 1.173 1.516 -4.481 1.00 1.00 C ATOM 737 CG LEU P 44 -0.227 0.895 -4.328 1.00 1.00 C ATOM 738 CD1 LEU P 44 -1.115 1.851 -3.526 1.00 1.00 C ATOM 739 CD2 LEU P 44 -0.873 0.637 -5.715 1.00 1.00 C ATOM 0 H LEU P 44 2.111 -0.196 -2.936 1.00 1.00 H new ATOM 0 HA LEU P 44 1.744 -0.124 -5.745 1.00 2.21 H new ATOM 0 HB2 LEU P 44 1.491 1.951 -3.533 1.00 1.00 H new ATOM 0 HB3 LEU P 44 1.141 2.327 -5.209 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.131 -0.058 -3.808 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.109 1.417 -3.414 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -0.677 2.014 -2.541 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -1.192 2.803 -4.051 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -1.861 0.198 -5.580 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -0.965 1.580 -6.254 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.247 -0.048 -6.286 1.00 1.00 H new ATOM 751 N LEU P 45 4.382 1.434 -4.517 1.00 1.00 N ATOM 752 CA LEU P 45 5.635 2.090 -4.903 1.00 2.33 C ATOM 753 C LEU P 45 6.496 1.224 -5.823 1.00 1.00 C ATOM 754 O LEU P 45 7.058 1.729 -6.794 1.00 1.00 O ATOM 755 CB LEU P 45 6.446 2.487 -3.659 1.00 1.00 C ATOM 756 CG LEU P 45 5.769 3.654 -2.914 1.00 1.00 C ATOM 757 CD1 LEU P 45 6.453 3.842 -1.552 1.00 1.00 C ATOM 758 CD2 LEU P 45 5.874 4.968 -3.736 1.00 1.00 C ATOM 0 H LEU P 45 4.289 1.243 -3.519 1.00 1.00 H new ATOM 0 HA LEU P 45 5.356 2.984 -5.460 1.00 2.33 H new ATOM 0 HB2 LEU P 45 6.541 1.630 -2.992 1.00 1.00 H new ATOM 0 HB3 LEU P 45 7.455 2.774 -3.954 1.00 1.00 H new ATOM 0 HG LEU P 45 4.714 3.420 -2.775 1.00 1.00 H new ATOM 0 HD11 LEU P 45 5.980 4.666 -1.018 1.00 1.00 H new ATOM 0 HD12 LEU P 45 6.356 2.927 -0.967 1.00 1.00 H new ATOM 0 HD13 LEU P 45 7.509 4.066 -1.703 1.00 1.00 H new ATOM 0 HD21 LEU P 45 5.389 5.778 -3.191 1.00 1.00 H new ATOM 0 HD22 LEU P 45 6.924 5.215 -3.895 1.00 1.00 H new ATOM 0 HD23 LEU P 45 5.383 4.835 -4.700 1.00 1.00 H new ATOM 770 N ILE P 46 6.609 -0.065 -5.536 1.00 1.00 N ATOM 771 CA ILE P 46 7.425 -0.930 -6.391 1.00 2.21 C ATOM 772 C ILE P 46 6.783 -1.014 -7.773 1.00 1.00 C ATOM 773 O ILE P 46 7.470 -1.034 -8.791 1.00 1.00 O ATOM 774 CB ILE P 46 7.623 -2.340 -5.753 1.00 1.00 C ATOM 775 CG1 ILE P 46 8.984 -2.938 -6.206 1.00 1.00 C ATOM 776 CG2 ILE P 46 6.489 -3.305 -6.153 1.00 1.00 C ATOM 777 CD1 ILE P 46 10.137 -2.378 -5.349 1.00 1.00 C ATOM 0 H ILE P 46 6.163 -0.529 -4.744 1.00 1.00 H new ATOM 0 HA ILE P 46 8.421 -0.499 -6.493 1.00 2.21 H new ATOM 0 HB ILE P 46 7.608 -2.219 -4.670 1.00 1.00 H new ATOM 0 HG12 ILE P 46 8.956 -4.024 -6.122 1.00 1.00 H new ATOM 0 HG13 ILE P 46 9.158 -2.704 -7.256 1.00 1.00 H new ATOM 0 HG21 ILE P 46 6.659 -4.278 -5.691 1.00 1.00 H new ATOM 0 HG22 ILE P 46 5.534 -2.904 -5.814 1.00 1.00 H new ATOM 0 HG23 ILE P 46 6.472 -3.416 -7.237 1.00 1.00 H new ATOM 0 HD11 ILE P 46 11.081 -2.809 -5.682 1.00 1.00 H new ATOM 0 HD12 ILE P 46 10.176 -1.294 -5.455 1.00 1.00 H new ATOM 0 HD13 ILE P 46 9.970 -2.634 -4.303 1.00 1.00 H new ATOM 789 N ALA P 47 5.458 -1.059 -7.787 1.00 1.00 N ATOM 790 CA ALA P 47 4.730 -1.135 -9.042 1.00 2.09 C ATOM 791 C ALA P 47 5.123 0.052 -9.915 1.00 1.00 C ATOM 792 O ALA P 47 5.436 -0.102 -11.094 1.00 1.00 O ATOM 793 CB ALA P 47 3.223 -1.115 -8.779 1.00 1.00 C ATOM 0 H ALA P 47 4.872 -1.044 -6.952 1.00 1.00 H new ATOM 0 HA ALA P 47 4.979 -2.065 -9.553 1.00 2.09 H new ATOM 0 HB1 ALA P 47 2.687 -1.172 -9.727 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.951 -1.967 -8.156 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.955 -0.191 -8.266 1.00 1.00 H new ATOM 799 N ILE P 48 5.100 1.243 -9.320 1.00 1.00 N ATOM 800 CA ILE P 48 5.455 2.457 -10.047 1.00 2.92 C ATOM 801 C ILE P 48 6.915 2.404 -10.499 1.00 1.00 C ATOM 802 O ILE P 48 7.234 2.746 -11.638 1.00 1.00 O ATOM 803 CB ILE P 48 5.230 3.684 -9.154 1.00 1.00 C ATOM 804 CG1 ILE P 48 3.730 3.859 -8.901 1.00 1.00 C ATOM 805 CG2 ILE P 48 5.775 4.941 -9.842 1.00 1.00 C ATOM 806 CD1 ILE P 48 3.508 4.888 -7.789 1.00 1.00 C ATOM 0 H ILE P 48 4.841 1.392 -8.345 1.00 1.00 H new ATOM 0 HA ILE P 48 4.820 2.532 -10.930 1.00 2.92 H new ATOM 0 HB ILE P 48 5.752 3.537 -8.208 1.00 1.00 H new ATOM 0 HG12 ILE P 48 3.233 4.185 -9.815 1.00 1.00 H new ATOM 0 HG13 ILE P 48 3.286 2.904 -8.620 1.00 1.00 H new ATOM 0 HG21 ILE P 48 5.611 5.807 -9.201 1.00 1.00 H new ATOM 0 HG22 ILE P 48 6.843 4.822 -10.024 1.00 1.00 H new ATOM 0 HG23 ILE P 48 5.259 5.089 -10.791 1.00 1.00 H new ATOM 0 HD11 ILE P 48 2.439 5.009 -7.613 1.00 1.00 H new ATOM 0 HD12 ILE P 48 3.990 4.544 -6.874 1.00 1.00 H new ATOM 0 HD13 ILE P 48 3.937 5.845 -8.088 1.00 1.00 H new ATOM 818 N ILE P 49 7.797 1.973 -9.606 1.00 1.00 N ATOM 819 CA ILE P 49 9.214 1.883 -9.938 1.00 1.00 C ATOM 820 C ILE P 49 9.414 0.878 -11.059 1.00 1.00 C ATOM 821 O ILE P 49 10.148 1.124 -12.013 1.00 1.00 O ATOM 822 CB ILE P 49 10.003 1.451 -8.704 1.00 1.00 C ATOM 823 CG1 ILE P 49 9.969 2.571 -7.660 1.00 1.00 C ATOM 824 CG2 ILE P 49 11.460 1.154 -9.080 1.00 1.00 C ATOM 825 CD1 ILE P 49 10.503 2.055 -6.321 1.00 1.00 C ATOM 0 H ILE P 49 7.561 1.683 -8.657 1.00 1.00 H new ATOM 0 HA ILE P 49 9.571 2.859 -10.267 1.00 1.00 H new ATOM 0 HB ILE P 49 9.550 0.548 -8.295 1.00 1.00 H new ATOM 0 HG12 ILE P 49 10.570 3.415 -8.000 1.00 1.00 H new ATOM 0 HG13 ILE P 49 8.949 2.935 -7.538 1.00 1.00 H new ATOM 0 HG21 ILE P 49 12.010 0.847 -8.190 1.00 1.00 H new ATOM 0 HG22 ILE P 49 11.489 0.353 -9.819 1.00 1.00 H new ATOM 0 HG23 ILE P 49 11.918 2.050 -9.499 1.00 1.00 H new ATOM 0 HD11 ILE P 49 10.475 2.858 -5.584 1.00 1.00 H new ATOM 0 HD12 ILE P 49 9.884 1.226 -5.978 1.00 1.00 H new ATOM 0 HD13 ILE P 49 11.530 1.713 -6.446 1.00 1.00 H new ATOM 837 N VAL P 50 8.749 -0.256 -10.933 1.00 1.00 N ATOM 838 CA VAL P 50 8.853 -1.294 -11.939 1.00 1.00 C ATOM 839 C VAL P 50 8.287 -0.765 -13.252 1.00 1.00 C ATOM 840 O VAL P 50 8.893 -0.925 -14.311 1.00 1.00 O ATOM 841 CB VAL P 50 8.092 -2.544 -11.481 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.955 -3.535 -12.643 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.866 -3.214 -10.341 1.00 1.00 C ATOM 0 H VAL P 50 8.136 -0.480 -10.149 1.00 1.00 H new ATOM 0 HA VAL P 50 9.897 -1.570 -12.085 1.00 1.00 H new ATOM 0 HB VAL P 50 7.099 -2.252 -11.141 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.413 -4.419 -12.306 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.409 -3.064 -13.460 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.946 -3.828 -12.990 1.00 1.00 H new ATOM 0 HG21 VAL P 50 8.330 -4.104 -10.011 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.858 -3.498 -10.692 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.962 -2.518 -9.508 1.00 1.00 H new ATOM 853 N MET P 51 7.122 -0.127 -13.169 1.00 1.00 N ATOM 854 CA MET P 51 6.479 0.430 -14.348 1.00 1.00 C ATOM 855 C MET P 51 7.286 1.614 -14.876 1.00 1.00 C ATOM 856 O MET P 51 7.255 1.900 -16.072 1.00 1.00 O ATOM 857 CB MET P 51 5.040 0.881 -14.031 1.00 1.00 C ATOM 858 CG MET P 51 4.101 -0.331 -13.972 1.00 1.00 C ATOM 859 SD MET P 51 2.385 0.239 -13.832 1.00 1.00 S ATOM 860 CE MET P 51 2.480 0.911 -12.155 1.00 1.00 C ATOM 0 H MET P 51 6.608 0.015 -12.299 1.00 1.00 H new ATOM 0 HA MET P 51 6.437 -0.348 -15.110 1.00 1.00 H new ATOM 0 HB2 MET P 51 5.020 1.412 -13.079 1.00 1.00 H new ATOM 0 HB3 MET P 51 4.695 1.580 -14.793 1.00 1.00 H new ATOM 0 HG2 MET P 51 4.221 -0.941 -14.867 1.00 1.00 H new ATOM 0 HG3 MET P 51 4.357 -0.961 -13.120 1.00 1.00 H new ATOM 0 HE1 MET P 51 1.475 1.123 -11.790 1.00 1.00 H new ATOM 0 HE2 MET P 51 2.959 0.184 -11.498 1.00 1.00 H new ATOM 0 HE3 MET P 51 3.064 1.831 -12.164 1.00 1.00 H new ATOM 870 N LEU P 52 8.000 2.310 -13.984 1.00 1.00 N ATOM 871 CA LEU P 52 8.792 3.466 -14.401 1.00 1.00 C ATOM 872 C LEU P 52 9.834 3.078 -15.442 1.00 1.00 C ATOM 873 O LEU P 52 10.045 3.804 -16.413 1.00 1.00 O ATOM 874 CB LEU P 52 9.482 4.094 -13.178 1.00 1.00 C ATOM 875 CG LEU P 52 10.332 5.310 -13.587 1.00 1.00 C ATOM 876 CD1 LEU P 52 9.464 6.366 -14.292 1.00 1.00 C ATOM 877 CD2 LEU P 52 10.964 5.912 -12.324 1.00 1.00 C ATOM 0 H LEU P 52 8.044 2.096 -12.988 1.00 1.00 H new ATOM 0 HA LEU P 52 8.118 4.193 -14.854 1.00 1.00 H new ATOM 0 HB2 LEU P 52 8.731 4.400 -12.450 1.00 1.00 H new ATOM 0 HB3 LEU P 52 10.114 3.351 -12.692 1.00 1.00 H new ATOM 0 HG LEU P 52 11.109 4.992 -14.282 1.00 1.00 H new ATOM 0 HD11 LEU P 52 10.084 7.218 -14.573 1.00 1.00 H new ATOM 0 HD12 LEU P 52 9.017 5.932 -15.186 1.00 1.00 H new ATOM 0 HD13 LEU P 52 8.675 6.698 -13.617 1.00 1.00 H new ATOM 0 HD21 LEU P 52 11.570 6.776 -12.597 1.00 1.00 H new ATOM 0 HD22 LEU P 52 10.177 6.223 -11.637 1.00 1.00 H new ATOM 0 HD23 LEU P 52 11.594 5.165 -11.841 1.00 1.00 H new ATOM 889 N LEU P 53 10.484 1.941 -15.245 1.00 1.00 N ATOM 890 CA LEU P 53 11.506 1.476 -16.183 1.00 1.00 C ATOM 891 C LEU P 53 10.878 0.632 -17.284 1.00 1.00 C ATOM 892 O LEU P 53 10.286 -0.384 -16.962 1.00 1.00 O ATOM 893 CB LEU P 53 12.560 0.645 -15.442 1.00 1.00 C ATOM 894 CG LEU P 53 13.207 1.470 -14.319 1.00 1.00 C ATOM 895 CD1 LEU P 53 14.162 0.571 -13.530 1.00 1.00 C ATOM 896 CD2 LEU P 53 13.996 2.657 -14.912 1.00 1.00 C ATOM 897 OXT LEU P 53 11.001 1.014 -18.436 1.00 1.00 O ATOM 0 H LEU P 53 10.326 1.323 -14.449 1.00 1.00 H new ATOM 0 HA LEU P 53 11.980 2.348 -16.633 1.00 1.00 H new ATOM 0 HB2 LEU P 53 12.098 -0.249 -15.024 1.00 1.00 H new ATOM 0 HB3 LEU P 53 13.325 0.310 -16.142 1.00 1.00 H new ATOM 0 HG LEU P 53 12.427 1.858 -13.664 1.00 1.00 H new ATOM 0 HD11 LEU P 53 14.627 1.147 -12.730 1.00 1.00 H new ATOM 0 HD12 LEU P 53 13.606 -0.263 -13.101 1.00 1.00 H new ATOM 0 HD13 LEU P 53 14.934 0.187 -14.196 1.00 1.00 H new ATOM 0 HD21 LEU P 53 14.449 3.233 -14.105 1.00 1.00 H new ATOM 0 HD22 LEU P 53 14.778 2.281 -15.572 1.00 1.00 H new ATOM 0 HD23 LEU P 53 13.319 3.297 -15.478 1.00 1.00 H new TER 909 LEU P 53