USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=6 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= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 72:sc= 0.352 USER MOD Single : P 11 SER OG : rot -15:sc= 0.622 USER MOD Single : P 17 SER OG : rot 73:sc= 0.0938 USER MOD Single : P 18 THR OG1 : rot -22:sc= 0.309 USER MOD Single : P 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 24 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : P 27 GLN : amide:sc= -0.0889 X(o=-0.089,f=-0.17) USER MOD Single : P 28 ASN : amide:sc= -1.54! C(o=-1.5!,f=-3.5!) USER MOD Single : P 30 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.45) USER MOD Single : P 31 ASN : amide:sc= -2.67! C(o=-2.7!,f=-4.9!) USER MOD Single : P 35 ASN : amide:sc=-0.00698 K(o=-0.007,f=-1.1) USER MOD Single : P 51 MET CE :methyl -167:sc= -0.791 (180deg=-1.26) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU P 3 -31.929 12.110 13.877 1.00 1.00 N ATOM 31 CA GLU P 3 -31.564 13.307 14.632 1.00 1.00 C ATOM 32 C GLU P 3 -30.137 13.198 15.164 1.00 1.00 C ATOM 33 O GLU P 3 -29.520 14.200 15.524 1.00 1.00 O ATOM 34 CB GLU P 3 -32.535 13.497 15.800 1.00 1.00 C ATOM 35 CG GLU P 3 -33.925 13.832 15.257 1.00 1.00 C ATOM 36 CD GLU P 3 -34.925 13.938 16.404 1.00 1.00 C ATOM 37 OE1 GLU P 3 -34.512 13.779 17.541 1.00 1.00 O ATOM 38 OE2 GLU P 3 -36.089 14.176 16.128 1.00 1.00 O ATOM 0 HA GLU P 3 -31.621 14.167 13.964 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -32.577 12.590 16.403 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -32.185 14.297 16.452 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -33.892 14.772 14.706 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -34.245 13.062 14.555 1.00 1.00 H new ATOM 45 N LYS P 4 -29.621 11.975 15.211 1.00 1.00 N ATOM 46 CA LYS P 4 -28.266 11.744 15.701 1.00 1.00 C ATOM 47 C LYS P 4 -27.253 12.379 14.753 1.00 1.00 C ATOM 48 O LYS P 4 -26.068 12.478 15.068 1.00 1.00 O ATOM 49 CB LYS P 4 -27.987 10.237 15.805 1.00 1.00 C ATOM 50 CG LYS P 4 -29.107 9.512 16.574 1.00 1.00 C ATOM 51 CD LYS P 4 -29.030 9.825 18.074 1.00 1.00 C ATOM 52 CE LYS P 4 -30.095 9.013 18.811 1.00 1.00 C ATOM 53 NZ LYS P 4 -29.993 9.274 20.275 1.00 1.00 N ATOM 0 H LYS P 4 -30.116 11.133 14.918 1.00 1.00 H new ATOM 0 HA LYS P 4 -28.174 12.196 16.689 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -27.896 9.812 14.805 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -27.034 10.075 16.308 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -30.078 9.817 16.184 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -29.024 8.436 16.418 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -28.039 9.582 18.458 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -29.185 10.890 18.244 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -31.088 9.283 18.451 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -29.961 7.950 18.610 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -30.717 8.722 20.777 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -29.049 8.995 20.612 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -30.141 10.287 20.458 1.00 1.00 H new ATOM 67 N VAL P 5 -27.730 12.804 13.592 1.00 1.00 N ATOM 68 CA VAL P 5 -26.861 13.427 12.602 1.00 1.00 C ATOM 69 C VAL P 5 -26.254 14.717 13.152 1.00 1.00 C ATOM 70 O VAL P 5 -25.054 14.964 13.015 1.00 1.00 O ATOM 71 CB VAL P 5 -27.659 13.725 11.328 1.00 1.00 C ATOM 72 CG1 VAL P 5 -26.792 14.510 10.340 1.00 1.00 C ATOM 73 CG2 VAL P 5 -28.094 12.404 10.685 1.00 1.00 C ATOM 0 H VAL P 5 -28.708 12.730 13.313 1.00 1.00 H new ATOM 0 HA VAL P 5 -26.050 12.738 12.367 1.00 1.00 H new ATOM 0 HB VAL P 5 -28.536 14.319 11.583 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -27.366 14.718 9.437 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -26.480 15.450 10.796 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -25.911 13.922 10.082 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -28.662 12.611 9.778 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -27.213 11.814 10.434 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -28.717 11.847 11.384 1.00 1.00 H new ATOM 83 N GLN P 6 -27.095 15.530 13.769 1.00 1.00 N ATOM 84 CA GLN P 6 -26.648 16.796 14.336 1.00 1.00 C ATOM 85 C GLN P 6 -25.645 16.569 15.462 1.00 1.00 C ATOM 86 O GLN P 6 -24.587 17.197 15.505 1.00 1.00 O ATOM 87 CB GLN P 6 -27.856 17.580 14.862 1.00 1.00 C ATOM 88 CG GLN P 6 -27.433 18.999 15.248 1.00 1.00 C ATOM 89 CD GLN P 6 -27.041 19.781 14.001 1.00 1.00 C ATOM 90 OE1 GLN P 6 -27.884 20.057 13.147 1.00 1.00 O ATOM 91 NE2 GLN P 6 -25.802 20.150 13.843 1.00 1.00 N ATOM 0 H GLN P 6 -28.089 15.339 13.891 1.00 1.00 H new ATOM 0 HA GLN P 6 -26.153 17.369 13.552 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -28.634 17.619 14.100 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -28.282 17.071 15.727 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -28.250 19.504 15.762 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -26.594 18.961 15.943 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -25.107 19.919 14.553 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -25.527 20.670 13.009 1.00 1.00 H new ATOM 100 N TYR P 7 -25.982 15.671 16.371 1.00 1.00 N ATOM 101 CA TYR P 7 -25.099 15.374 17.491 1.00 1.00 C ATOM 102 C TYR P 7 -23.772 14.817 16.990 1.00 1.00 C ATOM 103 O TYR P 7 -22.704 15.310 17.355 1.00 1.00 O ATOM 104 CB TYR P 7 -25.766 14.361 18.424 1.00 1.00 C ATOM 105 CG TYR P 7 -24.813 13.981 19.535 1.00 1.00 C ATOM 106 CD1 TYR P 7 -24.640 14.832 20.634 1.00 1.00 C ATOM 107 CD2 TYR P 7 -24.099 12.776 19.467 1.00 1.00 C ATOM 108 CE1 TYR P 7 -23.757 14.479 21.662 1.00 1.00 C ATOM 109 CE2 TYR P 7 -23.217 12.423 20.495 1.00 1.00 C ATOM 110 CZ TYR P 7 -23.046 13.275 21.593 1.00 1.00 C ATOM 111 OH TYR P 7 -22.177 12.929 22.606 1.00 1.00 O ATOM 0 H TYR P 7 -26.852 15.138 16.359 1.00 1.00 H new ATOM 0 HA TYR P 7 -24.907 16.297 18.038 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -26.678 14.786 18.844 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -26.057 13.473 17.863 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -25.188 15.761 20.689 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -24.230 12.119 18.620 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -23.624 15.136 22.509 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -22.669 11.494 20.441 1.00 1.00 H new ATOM 0 HH TYR P 7 -21.766 12.063 22.403 1.00 1.00 H new ATOM 121 N LEU P 8 -23.846 13.785 16.153 1.00 1.00 N ATOM 122 CA LEU P 8 -22.638 13.165 15.609 1.00 1.00 C ATOM 123 C LEU P 8 -21.662 14.249 15.140 1.00 1.00 C ATOM 124 O LEU P 8 -20.454 14.132 15.342 1.00 1.00 O ATOM 125 CB LEU P 8 -23.003 12.245 14.431 1.00 1.00 C ATOM 126 CG LEU P 8 -23.609 10.916 14.938 1.00 1.00 C ATOM 127 CD1 LEU P 8 -24.395 10.247 13.803 1.00 1.00 C ATOM 128 CD2 LEU P 8 -22.502 9.943 15.395 1.00 1.00 C ATOM 0 H LEU P 8 -24.720 13.363 15.838 1.00 1.00 H new ATOM 0 HA LEU P 8 -22.163 12.570 16.389 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -23.716 12.749 13.778 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -22.114 12.040 13.835 1.00 1.00 H new ATOM 0 HG LEU P 8 -24.261 11.142 15.781 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -24.823 9.310 14.160 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -25.196 10.910 13.475 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -23.726 10.045 12.967 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -22.955 9.016 15.747 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -21.838 9.728 14.558 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -21.930 10.397 16.204 1.00 1.00 H new ATOM 140 N THR P 9 -22.188 15.306 14.522 1.00 1.00 N ATOM 141 CA THR P 9 -21.329 16.389 14.050 1.00 1.00 C ATOM 142 C THR P 9 -20.627 17.032 15.248 1.00 1.00 C ATOM 143 O THR P 9 -19.415 17.266 15.238 1.00 1.00 O ATOM 144 CB THR P 9 -22.167 17.436 13.306 1.00 1.00 C ATOM 145 OG1 THR P 9 -22.784 16.829 12.178 1.00 1.00 O ATOM 146 CG2 THR P 9 -21.270 18.585 12.843 1.00 1.00 C ATOM 0 H THR P 9 -23.183 15.434 14.340 1.00 1.00 H new ATOM 0 HA THR P 9 -20.582 15.990 13.364 1.00 1.00 H new ATOM 0 HB THR P 9 -22.933 17.829 13.975 1.00 1.00 H new ATOM 0 HG1 THR P 9 -23.505 16.237 12.479 1.00 1.00 H new ATOM 0 HG21 THR P 9 -21.871 19.326 12.315 1.00 1.00 H new ATOM 0 HG22 THR P 9 -20.799 19.050 13.709 1.00 1.00 H new ATOM 0 HG23 THR P 9 -20.500 18.199 12.175 1.00 1.00 H new ATOM 154 N ARG P 10 -21.404 17.313 16.287 1.00 1.00 N ATOM 155 CA ARG P 10 -20.846 17.924 17.485 1.00 1.00 C ATOM 156 C ARG P 10 -19.713 17.051 18.006 1.00 1.00 C ATOM 157 O ARG P 10 -18.616 17.525 18.280 1.00 1.00 O ATOM 158 CB ARG P 10 -21.934 18.070 18.554 1.00 1.00 C ATOM 159 CG ARG P 10 -21.373 18.811 19.770 1.00 1.00 C ATOM 160 CD ARG P 10 -22.463 18.949 20.835 1.00 1.00 C ATOM 161 NE ARG P 10 -21.987 19.786 21.934 1.00 1.00 N ATOM 162 CZ ARG P 10 -21.289 19.273 22.943 1.00 1.00 C ATOM 163 NH1 ARG P 10 -21.023 17.995 22.971 1.00 1.00 N ATOM 164 NH2 ARG P 10 -20.870 20.048 23.907 1.00 1.00 N ATOM 0 H ARG P 10 -22.407 17.131 16.325 1.00 1.00 H new ATOM 0 HA ARG P 10 -20.461 18.915 17.245 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -22.786 18.615 18.146 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -22.297 17.087 18.852 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -20.519 18.269 20.177 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -21.013 19.796 19.474 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -23.359 19.387 20.395 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -22.742 17.965 21.211 1.00 1.00 H new ATOM 0 HE ARG P 10 -22.194 20.785 21.927 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -21.351 17.389 22.219 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -20.488 17.602 23.745 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -21.078 21.046 23.886 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -20.335 19.655 24.681 1.00 1.00 H new ATOM 178 N SER P 11 -19.989 15.768 18.137 1.00 1.00 N ATOM 179 CA SER P 11 -18.988 14.826 18.624 1.00 1.00 C ATOM 180 C SER P 11 -17.837 14.725 17.632 1.00 1.00 C ATOM 181 O SER P 11 -16.712 14.409 17.987 1.00 1.00 O ATOM 182 CB SER P 11 -19.618 13.448 18.802 1.00 1.00 C ATOM 183 OG SER P 11 -20.062 12.971 17.536 1.00 1.00 O ATOM 0 H SER P 11 -20.893 15.351 17.915 1.00 1.00 H new ATOM 0 HA SER P 11 -18.609 15.183 19.582 1.00 1.00 H new ATOM 0 HB2 SER P 11 -18.893 12.756 19.231 1.00 1.00 H new ATOM 0 HB3 SER P 11 -20.456 13.505 19.497 1.00 1.00 H new ATOM 0 HG SER P 11 -20.084 13.713 16.896 1.00 1.00 H new ATOM 189 N ALA P 12 -18.133 15.008 16.385 1.00 1.00 N ATOM 190 CA ALA P 12 -17.105 14.943 15.370 1.00 1.00 C ATOM 191 C ALA P 12 -15.988 15.887 15.755 1.00 1.00 C ATOM 192 O ALA P 12 -14.813 15.618 15.504 1.00 1.00 O ATOM 193 CB ALA P 12 -17.650 15.292 13.982 1.00 1.00 C ATOM 0 H ALA P 12 -19.058 15.280 16.052 1.00 1.00 H new ATOM 0 HA ALA P 12 -16.731 13.921 15.313 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -16.845 15.231 13.249 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -18.439 14.589 13.714 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -18.054 16.304 13.994 1.00 1.00 H new ATOM 199 N ILE P 13 -16.363 17.008 16.374 1.00 1.00 N ATOM 200 CA ILE P 13 -15.366 18.001 16.798 1.00 1.00 C ATOM 201 C ILE P 13 -14.645 17.540 18.072 1.00 1.00 C ATOM 202 O ILE P 13 -13.428 17.683 18.190 1.00 1.00 O ATOM 203 CB ILE P 13 -16.017 19.424 16.969 1.00 1.00 C ATOM 204 CG1 ILE P 13 -15.043 20.530 16.490 1.00 1.00 C ATOM 205 CG2 ILE P 13 -16.381 19.736 18.440 1.00 1.00 C ATOM 206 CD1 ILE P 13 -14.822 20.465 14.965 1.00 1.00 C ATOM 0 H ILE P 13 -17.329 17.251 16.591 1.00 1.00 H new ATOM 0 HA ILE P 13 -14.615 18.088 16.013 1.00 1.00 H new ATOM 0 HB ILE P 13 -16.926 19.411 16.368 1.00 1.00 H new ATOM 0 HG12 ILE P 13 -15.440 21.508 16.760 1.00 1.00 H new ATOM 0 HG13 ILE P 13 -14.087 20.422 17.002 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -16.826 20.729 18.502 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -17.093 18.995 18.803 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -15.480 19.704 19.052 1.00 1.00 H new ATOM 0 HD11 ILE P 13 -14.134 21.255 14.663 1.00 1.00 H new ATOM 0 HD12 ILE P 13 -14.401 19.495 14.699 1.00 1.00 H new ATOM 0 HD13 ILE P 13 -15.775 20.599 14.453 1.00 1.00 H new ATOM 218 N ARG P 14 -15.401 16.990 19.022 1.00 1.00 N ATOM 219 CA ARG P 14 -14.805 16.524 20.271 1.00 1.00 C ATOM 220 C ARG P 14 -13.884 15.349 19.997 1.00 1.00 C ATOM 221 O ARG P 14 -12.764 15.285 20.491 1.00 1.00 O ATOM 222 CB ARG P 14 -15.912 16.113 21.244 1.00 1.00 C ATOM 223 CG ARG P 14 -15.303 15.713 22.589 1.00 1.00 C ATOM 224 CD ARG P 14 -16.423 15.332 23.557 1.00 1.00 C ATOM 225 NE ARG P 14 -17.209 16.507 23.916 1.00 1.00 N ATOM 226 CZ ARG P 14 -18.249 16.404 24.736 1.00 1.00 C ATOM 227 NH1 ARG P 14 -18.572 15.240 25.226 1.00 1.00 N ATOM 228 NH2 ARG P 14 -18.947 17.460 25.051 1.00 1.00 N ATOM 0 H ARG P 14 -16.410 16.858 18.952 1.00 1.00 H new ATOM 0 HA ARG P 14 -14.221 17.329 20.716 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -16.611 16.938 21.383 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -16.480 15.280 20.830 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -14.620 14.874 22.457 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -14.719 16.538 22.997 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -17.068 14.582 23.099 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -15.999 14.883 24.455 1.00 1.00 H new ATOM 0 HE ARG P 14 -16.957 17.418 23.533 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -18.027 14.414 24.979 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -19.370 15.155 25.856 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -18.695 18.371 24.667 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -19.745 17.375 25.681 1.00 1.00 H new ATOM 242 N ARG P 15 -14.380 14.425 19.206 1.00 1.00 N ATOM 243 CA ARG P 15 -13.630 13.244 18.853 1.00 1.00 C ATOM 244 C ARG P 15 -12.271 13.638 18.305 1.00 1.00 C ATOM 245 O ARG P 15 -11.268 12.985 18.575 1.00 1.00 O ATOM 246 CB ARG P 15 -14.421 12.436 17.826 1.00 1.00 C ATOM 247 CG ARG P 15 -15.614 11.777 18.519 1.00 1.00 C ATOM 248 CD ARG P 15 -16.562 11.206 17.470 1.00 1.00 C ATOM 249 NE ARG P 15 -15.887 10.175 16.692 1.00 1.00 N ATOM 250 CZ ARG P 15 -16.473 9.625 15.635 1.00 1.00 C ATOM 251 NH1 ARG P 15 -17.672 10.002 15.288 1.00 1.00 N ATOM 252 NH2 ARG P 15 -15.850 8.707 14.946 1.00 1.00 N ATOM 0 H ARG P 15 -15.311 14.471 18.791 1.00 1.00 H new ATOM 0 HA ARG P 15 -13.471 12.628 19.738 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -14.765 13.085 17.021 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -13.783 11.677 17.373 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -15.270 10.984 19.183 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -16.137 12.506 19.138 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -17.444 10.787 17.955 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -16.909 12.002 16.810 1.00 1.00 H new ATOM 0 HE ARG P 15 -14.952 9.872 16.963 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -18.158 10.718 15.828 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -18.124 9.581 14.476 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -14.913 8.412 15.220 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -16.301 8.285 14.134 1.00 1.00 H new ATOM 266 N ALA P 16 -12.228 14.718 17.549 1.00 1.00 N ATOM 267 CA ALA P 16 -10.960 15.166 17.003 1.00 1.00 C ATOM 268 C ALA P 16 -10.011 15.372 18.163 1.00 1.00 C ATOM 269 O ALA P 16 -8.789 15.304 18.024 1.00 1.00 O ATOM 270 CB ALA P 16 -11.138 16.468 16.220 1.00 1.00 C ATOM 0 H ALA P 16 -13.035 15.291 17.303 1.00 1.00 H new ATOM 0 HA ALA P 16 -10.563 14.423 16.312 1.00 1.00 H new ATOM 0 HB1 ALA P 16 -10.176 16.786 15.819 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -11.837 16.306 15.399 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -11.528 17.241 16.882 1.00 1.00 H new ATOM 276 N SER P 17 -10.616 15.616 19.318 1.00 1.00 N ATOM 277 CA SER P 17 -9.867 15.830 20.546 1.00 1.00 C ATOM 278 C SER P 17 -9.521 14.482 21.180 1.00 1.00 C ATOM 279 O SER P 17 -8.349 14.129 21.299 1.00 1.00 O ATOM 280 CB SER P 17 -10.687 16.690 21.533 1.00 1.00 C ATOM 281 OG SER P 17 -11.514 17.577 20.793 1.00 1.00 O ATOM 0 H SER P 17 -11.629 15.671 19.429 1.00 1.00 H new ATOM 0 HA SER P 17 -8.945 16.361 20.311 1.00 1.00 H new ATOM 0 HB2 SER P 17 -11.296 16.052 22.173 1.00 1.00 H new ATOM 0 HB3 SER P 17 -10.020 17.253 22.186 1.00 1.00 H new ATOM 0 HG SER P 17 -12.249 17.074 20.384 1.00 1.00 H new ATOM 287 N THR P 18 -10.555 13.735 21.607 1.00 1.00 N ATOM 288 CA THR P 18 -10.357 12.424 22.255 1.00 1.00 C ATOM 289 C THR P 18 -11.140 11.270 21.601 1.00 1.00 C ATOM 290 O THR P 18 -11.675 10.413 22.305 1.00 1.00 O ATOM 291 CB THR P 18 -10.759 12.541 23.728 1.00 1.00 C ATOM 292 OG1 THR P 18 -10.612 11.277 24.352 1.00 1.00 O ATOM 293 CG2 THR P 18 -12.214 13.009 23.842 1.00 1.00 C ATOM 0 H THR P 18 -11.532 14.014 21.516 1.00 1.00 H new ATOM 0 HA THR P 18 -9.303 12.173 22.141 1.00 1.00 H new ATOM 0 HB THR P 18 -10.117 13.271 24.221 1.00 1.00 H new ATOM 0 HG1 THR P 18 -10.630 10.572 23.671 1.00 1.00 H new ATOM 0 HG21 THR P 18 -12.489 13.089 24.894 1.00 1.00 H new ATOM 0 HG22 THR P 18 -12.322 13.983 23.364 1.00 1.00 H new ATOM 0 HG23 THR P 18 -12.867 12.289 23.350 1.00 1.00 H new ATOM 301 N ILE P 19 -11.191 11.256 20.266 1.00 1.00 N ATOM 302 CA ILE P 19 -11.901 10.195 19.516 1.00 1.00 C ATOM 303 C ILE P 19 -11.781 8.841 20.230 1.00 1.00 C ATOM 304 O ILE P 19 -12.657 7.985 20.104 1.00 1.00 O ATOM 305 CB ILE P 19 -11.307 10.077 18.098 1.00 1.00 C ATOM 306 CG1 ILE P 19 -11.839 8.800 17.406 1.00 1.00 C ATOM 307 CG2 ILE P 19 -9.779 10.028 18.192 1.00 1.00 C ATOM 308 CD1 ILE P 19 -11.586 8.865 15.896 1.00 1.00 C ATOM 0 H ILE P 19 -10.752 11.963 19.676 1.00 1.00 H new ATOM 0 HA ILE P 19 -12.955 10.465 19.458 1.00 1.00 H new ATOM 0 HB ILE P 19 -11.605 10.943 17.506 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -11.350 7.921 17.825 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -12.907 8.693 17.598 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -9.355 9.945 17.191 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -9.414 10.939 18.666 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -9.479 9.165 18.786 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -11.966 7.959 15.424 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -12.096 9.733 15.479 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -10.515 8.949 15.710 1.00 1.00 H new ATOM 320 N GLU P 20 -10.696 8.656 20.971 1.00 1.00 N ATOM 321 CA GLU P 20 -10.472 7.403 21.696 1.00 1.00 C ATOM 322 C GLU P 20 -9.621 7.680 22.931 1.00 1.00 C ATOM 323 O GLU P 20 -8.392 7.673 22.872 1.00 1.00 O ATOM 324 CB GLU P 20 -9.791 6.402 20.750 1.00 1.00 C ATOM 325 CG GLU P 20 -9.817 4.973 21.331 1.00 1.00 C ATOM 326 CD GLU P 20 -9.630 3.955 20.197 1.00 1.00 C ATOM 327 OE1 GLU P 20 -9.162 4.352 19.143 1.00 1.00 O ATOM 328 OE2 GLU P 20 -9.964 2.799 20.393 1.00 1.00 O ATOM 0 H GLU P 20 -9.959 9.351 21.088 1.00 1.00 H new ATOM 0 HA GLU P 20 -11.416 6.974 22.031 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -10.294 6.413 19.783 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -8.759 6.707 20.576 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -9.027 4.856 22.073 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -10.763 4.794 21.842 1.00 1.00 H new ATOM 335 N MET P 21 -10.306 7.933 24.048 1.00 1.00 N ATOM 336 CA MET P 21 -9.638 8.228 25.316 1.00 1.00 C ATOM 337 C MET P 21 -8.694 7.108 25.747 1.00 1.00 C ATOM 338 O MET P 21 -7.581 7.379 26.197 1.00 1.00 O ATOM 339 CB MET P 21 -10.669 8.490 26.457 1.00 1.00 C ATOM 340 CG MET P 21 -12.051 8.794 25.875 1.00 1.00 C ATOM 341 SD MET P 21 -13.105 9.496 27.176 1.00 1.00 S ATOM 342 CE MET P 21 -14.633 8.612 26.773 1.00 1.00 C ATOM 0 H MET P 21 -11.325 7.939 24.100 1.00 1.00 H new ATOM 0 HA MET P 21 -9.051 9.130 25.143 1.00 1.00 H new ATOM 0 HB2 MET P 21 -10.727 7.619 27.109 1.00 1.00 H new ATOM 0 HB3 MET P 21 -10.335 9.326 27.071 1.00 1.00 H new ATOM 0 HG2 MET P 21 -11.963 9.494 25.044 1.00 1.00 H new ATOM 0 HG3 MET P 21 -12.500 7.884 25.478 1.00 1.00 H new ATOM 0 HE1 MET P 21 -15.419 8.907 27.469 1.00 1.00 H new ATOM 0 HE2 MET P 21 -14.938 8.857 25.756 1.00 1.00 H new ATOM 0 HE3 MET P 21 -14.464 7.538 26.852 1.00 1.00 H new ATOM 352 N PRO P 22 -9.099 5.870 25.641 1.00 1.00 N ATOM 353 CA PRO P 22 -8.221 4.763 26.064 1.00 1.00 C ATOM 354 C PRO P 22 -6.853 4.891 25.418 1.00 1.00 C ATOM 355 O PRO P 22 -6.717 5.078 24.212 1.00 1.00 O ATOM 356 CB PRO P 22 -8.967 3.487 25.649 1.00 1.00 C ATOM 357 CG PRO P 22 -10.406 3.899 25.515 1.00 1.00 C ATOM 358 CD PRO P 22 -10.393 5.386 25.123 1.00 1.00 C ATOM 0 HA PRO P 22 -8.024 4.759 27.136 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -8.581 3.093 24.709 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -8.850 2.702 26.396 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -10.913 3.301 24.757 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -10.943 3.748 26.452 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -10.467 5.517 24.043 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -11.230 5.925 25.567 1.00 1.00 H new ATOM 366 N GLN P 23 -5.862 4.791 26.259 1.00 1.00 N ATOM 367 CA GLN P 23 -4.473 4.892 25.829 1.00 1.00 C ATOM 368 C GLN P 23 -4.039 3.623 25.113 1.00 1.00 C ATOM 369 O GLN P 23 -2.979 3.585 24.488 1.00 1.00 O ATOM 370 CB GLN P 23 -3.562 5.135 27.035 1.00 1.00 C ATOM 371 CG GLN P 23 -3.813 6.537 27.593 1.00 1.00 C ATOM 372 CD GLN P 23 -2.955 6.768 28.833 1.00 1.00 C ATOM 373 OE1 GLN P 23 -3.130 6.089 29.845 1.00 1.00 O ATOM 374 NE2 GLN P 23 -2.033 7.691 28.814 1.00 1.00 N ATOM 0 H GLN P 23 -5.981 4.638 27.260 1.00 1.00 H new ATOM 0 HA GLN P 23 -4.391 5.732 25.139 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -3.753 4.387 27.804 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -2.517 5.031 26.741 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -3.580 7.286 26.836 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -4.867 6.654 27.844 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -1.890 8.252 27.974 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -1.455 7.852 29.639 1.00 1.00 H new ATOM 383 N GLN P 24 -4.867 2.581 25.204 1.00 1.00 N ATOM 384 CA GLN P 24 -4.573 1.298 24.558 1.00 1.00 C ATOM 385 C GLN P 24 -5.371 1.181 23.273 1.00 1.00 C ATOM 386 O GLN P 24 -4.832 0.836 22.221 1.00 1.00 O ATOM 387 CB GLN P 24 -4.917 0.138 25.507 1.00 1.00 C ATOM 388 CG GLN P 24 -6.387 0.205 25.939 1.00 1.00 C ATOM 389 CD GLN P 24 -6.626 -0.721 27.126 1.00 1.00 C ATOM 390 OE1 GLN P 24 -5.839 -1.634 27.374 1.00 1.00 O ATOM 391 NE2 GLN P 24 -7.676 -0.539 27.877 1.00 1.00 N ATOM 0 H GLN P 24 -5.747 2.599 25.719 1.00 1.00 H new ATOM 0 HA GLN P 24 -3.510 1.249 24.322 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -4.722 -0.813 25.012 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -4.273 0.178 26.385 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -6.649 1.228 26.207 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -7.032 -0.082 25.108 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -8.327 0.219 27.669 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -7.847 -1.154 28.672 1.00 1.00 H new ATOM 400 N ALA P 25 -6.661 1.464 23.370 1.00 1.00 N ATOM 401 CA ALA P 25 -7.532 1.380 22.203 1.00 1.00 C ATOM 402 C ALA P 25 -7.120 2.404 21.148 1.00 1.00 C ATOM 403 O ALA P 25 -7.237 2.168 19.952 1.00 1.00 O ATOM 404 CB ALA P 25 -9.004 1.564 22.613 1.00 1.00 C ATOM 0 H ALA P 25 -7.125 1.750 24.232 1.00 1.00 H new ATOM 0 HA ALA P 25 -7.427 0.388 21.764 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -9.639 1.498 21.729 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -9.285 0.784 23.320 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -9.132 2.540 23.080 1.00 1.00 H new ATOM 410 N ARG P 26 -6.640 3.543 21.588 1.00 1.00 N ATOM 411 CA ARG P 26 -6.229 4.566 20.669 1.00 1.00 C ATOM 412 C ARG P 26 -5.072 4.091 19.789 1.00 1.00 C ATOM 413 O ARG P 26 -5.064 4.331 18.584 1.00 1.00 O ATOM 414 CB ARG P 26 -5.814 5.805 21.458 1.00 1.00 C ATOM 415 CG ARG P 26 -5.491 6.920 20.483 1.00 1.00 C ATOM 416 CD ARG P 26 -5.201 8.216 21.239 1.00 1.00 C ATOM 417 NE ARG P 26 -5.062 9.325 20.299 1.00 1.00 N ATOM 418 CZ ARG P 26 -4.863 10.567 20.729 1.00 1.00 C ATOM 419 NH1 ARG P 26 -4.791 10.808 22.009 1.00 1.00 N ATOM 420 NH2 ARG P 26 -4.742 11.546 19.873 1.00 1.00 N ATOM 0 H ARG P 26 -6.526 3.780 22.574 1.00 1.00 H new ATOM 0 HA ARG P 26 -7.066 4.805 20.013 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -6.616 6.111 22.129 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -4.946 5.584 22.079 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -4.629 6.644 19.876 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -6.327 7.069 19.800 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -6.007 8.424 21.942 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -4.288 8.108 21.824 1.00 1.00 H new ATOM 0 HE ARG P 26 -5.118 9.144 19.297 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -4.887 10.044 22.678 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -4.638 11.760 22.341 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -4.800 11.358 18.872 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -4.589 12.498 20.205 1.00 1.00 H new ATOM 434 N GLN P 27 -4.093 3.415 20.383 1.00 1.00 N ATOM 435 CA GLN P 27 -2.940 2.925 19.622 1.00 1.00 C ATOM 436 C GLN P 27 -3.149 1.518 19.065 1.00 1.00 C ATOM 437 O GLN P 27 -2.653 1.202 17.991 1.00 1.00 O ATOM 438 CB GLN P 27 -1.710 2.911 20.529 1.00 1.00 C ATOM 439 CG GLN P 27 -1.450 4.316 21.085 1.00 1.00 C ATOM 440 CD GLN P 27 -1.092 5.282 19.960 1.00 1.00 C ATOM 441 OE1 GLN P 27 -0.187 5.011 19.170 1.00 1.00 O ATOM 442 NE2 GLN P 27 -1.751 6.402 19.842 1.00 1.00 N ATOM 0 H GLN P 27 -4.071 3.194 21.378 1.00 1.00 H new ATOM 0 HA GLN P 27 -2.806 3.599 18.776 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -1.861 2.209 21.349 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -0.840 2.566 19.970 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -2.335 4.674 21.611 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -0.639 4.281 21.813 1.00 1.00 H new ATOM 0 HE21 GLN P 27 -2.500 6.624 20.497 1.00 1.00 H new ATOM 0 HE22 GLN P 27 -1.517 7.055 19.094 1.00 1.00 H new ATOM 451 N ASN P 28 -3.873 0.670 19.783 1.00 1.00 N ATOM 452 CA ASN P 28 -4.094 -0.692 19.296 1.00 2.16 C ATOM 453 C ASN P 28 -4.839 -0.700 17.968 1.00 1.00 C ATOM 454 O ASN P 28 -4.403 -1.333 17.003 1.00 1.00 O ATOM 455 CB ASN P 28 -4.878 -1.504 20.329 1.00 1.00 C ATOM 456 CG ASN P 28 -5.110 -2.920 19.812 1.00 1.00 C ATOM 457 OD1 ASN P 28 -4.753 -3.234 18.676 1.00 1.00 O ATOM 458 ND2 ASN P 28 -5.689 -3.801 20.582 1.00 1.00 N ATOM 0 H ASN P 28 -4.308 0.888 20.680 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.116 -1.146 19.140 1.00 2.16 H new ATOM 0 HB2 ASN P 28 -4.329 -1.537 21.270 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.834 -1.022 20.534 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -5.846 -4.750 20.243 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -5.984 -3.540 21.523 1.00 1.00 H new ATOM 465 N LEU P 29 -5.954 0.002 17.919 1.00 1.00 N ATOM 466 CA LEU P 29 -6.742 0.063 16.700 1.00 2.29 C ATOM 467 C LEU P 29 -6.009 0.869 15.667 1.00 1.00 C ATOM 468 O LEU P 29 -6.005 0.523 14.486 1.00 1.00 O ATOM 469 CB LEU P 29 -8.100 0.705 16.953 1.00 1.00 C ATOM 470 CG LEU P 29 -8.730 0.058 18.173 1.00 1.00 C ATOM 471 CD1 LEU P 29 -10.110 0.676 18.443 1.00 1.00 C ATOM 472 CD2 LEU P 29 -8.864 -1.464 17.961 1.00 1.00 C ATOM 0 H LEU P 29 -6.334 0.535 18.701 1.00 1.00 H new ATOM 0 HA LEU P 29 -6.897 -0.957 16.347 1.00 2.29 H new ATOM 0 HB2 LEU P 29 -7.986 1.777 17.111 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -8.745 0.578 16.084 1.00 1.00 H new ATOM 0 HG LEU P 29 -8.088 0.236 19.035 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -10.554 0.205 19.320 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -10.001 1.746 18.621 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -10.756 0.516 17.579 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -9.317 -1.916 18.843 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -9.493 -1.656 17.091 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -7.877 -1.897 17.798 1.00 1.00 H new ATOM 484 N GLN P 30 -5.374 1.954 16.106 1.00 1.00 N ATOM 485 CA GLN P 30 -4.637 2.780 15.159 1.00 3.04 C ATOM 486 C GLN P 30 -3.377 2.060 14.681 1.00 1.00 C ATOM 487 O GLN P 30 -2.929 2.262 13.557 1.00 1.00 O ATOM 488 CB GLN P 30 -4.264 4.122 15.786 1.00 1.00 C ATOM 489 CG GLN P 30 -5.539 4.929 16.060 1.00 1.00 C ATOM 490 CD GLN P 30 -6.158 5.399 14.749 1.00 1.00 C ATOM 491 OE1 GLN P 30 -5.461 5.934 13.887 1.00 1.00 O ATOM 492 NE2 GLN P 30 -7.437 5.230 14.547 1.00 1.00 N ATOM 0 H GLN P 30 -5.354 2.272 17.075 1.00 1.00 H new ATOM 0 HA GLN P 30 -5.283 2.963 14.301 1.00 3.04 H new ATOM 0 HB2 GLN P 30 -3.715 3.962 16.714 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -3.606 4.677 15.118 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -6.254 4.317 16.609 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -5.306 5.788 16.689 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -8.012 4.786 15.263 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -7.861 5.542 13.673 1.00 1.00 H new ATOM 501 N ASN P 31 -2.807 1.213 15.533 1.00 1.00 N ATOM 502 CA ASN P 31 -1.602 0.478 15.155 1.00 2.46 C ATOM 503 C ASN P 31 -1.922 -0.443 13.989 1.00 1.00 C ATOM 504 O ASN P 31 -1.137 -0.580 13.057 1.00 1.00 O ATOM 505 CB ASN P 31 -1.050 -0.335 16.344 1.00 1.00 C ATOM 506 CG ASN P 31 -0.243 0.564 17.284 1.00 1.00 C ATOM 507 OD1 ASN P 31 0.180 1.652 16.896 1.00 1.00 O ATOM 508 ND2 ASN P 31 -0.007 0.166 18.506 1.00 1.00 N ATOM 0 H ASN P 31 -3.151 1.020 16.473 1.00 1.00 H new ATOM 0 HA ASN P 31 -0.834 1.192 14.858 1.00 2.46 H new ATOM 0 HB2 ASN P 31 -1.873 -0.795 16.890 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -0.420 -1.145 15.976 1.00 1.00 H new ATOM 0 HD21 ASN P 31 0.529 0.758 19.141 1.00 1.00 H new ATOM 0 HD22 ASN P 31 -0.359 -0.737 18.825 1.00 1.00 H new ATOM 515 N LEU P 32 -3.087 -1.067 14.056 1.00 1.00 N ATOM 516 CA LEU P 32 -3.516 -1.970 13.010 1.00 2.22 C ATOM 517 C LEU P 32 -3.695 -1.195 11.721 1.00 1.00 C ATOM 518 O LEU P 32 -3.258 -1.628 10.672 1.00 1.00 O ATOM 519 CB LEU P 32 -4.836 -2.651 13.398 1.00 1.00 C ATOM 520 CG LEU P 32 -4.618 -3.639 14.557 1.00 1.00 C ATOM 521 CD1 LEU P 32 -5.982 -4.110 15.077 1.00 1.00 C ATOM 522 CD2 LEU P 32 -3.788 -4.862 14.087 1.00 1.00 C ATOM 0 H LEU P 32 -3.749 -0.962 14.825 1.00 1.00 H new ATOM 0 HA LEU P 32 -2.757 -2.740 12.871 1.00 2.22 H new ATOM 0 HB2 LEU P 32 -5.568 -1.897 13.689 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.246 -3.178 12.536 1.00 1.00 H new ATOM 0 HG LEU P 32 -4.068 -3.136 15.353 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -5.836 -4.811 15.899 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.553 -3.251 15.430 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -6.528 -4.603 14.272 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -3.646 -5.548 14.922 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -4.317 -5.374 13.283 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -2.817 -4.525 13.725 1.00 1.00 H new ATOM 534 N PHE P 33 -4.337 -0.041 11.812 1.00 1.00 N ATOM 535 CA PHE P 33 -4.558 0.786 10.632 1.00 2.56 C ATOM 536 C PHE P 33 -3.222 1.270 10.074 1.00 1.00 C ATOM 537 O PHE P 33 -2.949 1.142 8.880 1.00 1.00 O ATOM 538 CB PHE P 33 -5.441 1.982 10.988 1.00 1.00 C ATOM 539 CG PHE P 33 -5.670 2.826 9.754 1.00 1.00 C ATOM 540 CD1 PHE P 33 -6.528 2.369 8.746 1.00 1.00 C ATOM 541 CD2 PHE P 33 -5.027 4.064 9.616 1.00 1.00 C ATOM 542 CE1 PHE P 33 -6.742 3.148 7.602 1.00 1.00 C ATOM 543 CE2 PHE P 33 -5.242 4.842 8.473 1.00 1.00 C ATOM 544 CZ PHE P 33 -6.100 4.384 7.466 1.00 1.00 C ATOM 0 H PHE P 33 -4.711 0.343 12.680 1.00 1.00 H new ATOM 0 HA PHE P 33 -5.062 0.189 9.872 1.00 2.56 H new ATOM 0 HB2 PHE P 33 -6.395 1.637 11.388 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -4.966 2.579 11.767 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -7.025 1.416 8.851 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -4.365 4.418 10.393 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -7.403 2.795 6.824 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -4.746 5.796 8.368 1.00 1.00 H new ATOM 0 HZ PHE P 33 -6.266 4.985 6.584 1.00 1.00 H new ATOM 554 N ILE P 34 -2.398 1.828 10.955 1.00 1.00 N ATOM 555 CA ILE P 34 -1.090 2.330 10.543 1.00 2.57 C ATOM 556 C ILE P 34 -0.231 1.175 10.033 1.00 1.00 C ATOM 557 O ILE P 34 0.399 1.282 8.986 1.00 1.00 O ATOM 558 CB ILE P 34 -0.387 3.034 11.719 1.00 1.00 C ATOM 559 CG1 ILE P 34 -1.127 4.344 12.089 1.00 1.00 C ATOM 560 CG2 ILE P 34 1.074 3.344 11.371 1.00 1.00 C ATOM 561 CD1 ILE P 34 -1.178 5.336 10.912 1.00 1.00 C ATOM 0 H ILE P 34 -2.608 1.944 11.946 1.00 1.00 H new ATOM 0 HA ILE P 34 -1.229 3.055 9.741 1.00 2.57 H new ATOM 0 HB ILE P 34 -0.408 2.361 12.576 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -2.142 4.108 12.407 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -0.628 4.814 12.937 1.00 1.00 H new ATOM 0 HG21 ILE P 34 1.552 3.841 12.215 1.00 1.00 H new ATOM 0 HG22 ILE P 34 1.601 2.415 11.151 1.00 1.00 H new ATOM 0 HG23 ILE P 34 1.110 3.996 10.498 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -1.706 6.239 11.219 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -0.163 5.595 10.610 1.00 1.00 H new ATOM 0 HD13 ILE P 34 -1.701 4.878 10.072 1.00 1.00 H new ATOM 573 N ASN P 35 -0.213 0.070 10.769 1.00 1.00 N ATOM 574 CA ASN P 35 0.571 -1.081 10.360 1.00 2.62 C ATOM 575 C ASN P 35 -0.004 -1.640 9.079 1.00 1.00 C ATOM 576 O ASN P 35 0.720 -1.934 8.127 1.00 1.00 O ATOM 577 CB ASN P 35 0.553 -2.152 11.451 1.00 1.00 C ATOM 578 CG ASN P 35 1.343 -3.374 10.997 1.00 1.00 C ATOM 579 OD1 ASN P 35 2.270 -3.252 10.197 1.00 1.00 O ATOM 580 ND2 ASN P 35 1.031 -4.552 11.463 1.00 1.00 N ATOM 0 H ASN P 35 -0.727 -0.050 11.642 1.00 1.00 H new ATOM 0 HA ASN P 35 1.604 -0.774 10.196 1.00 2.62 H new ATOM 0 HB2 ASN P 35 0.981 -1.753 12.370 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.475 -2.436 11.676 1.00 1.00 H new ATOM 0 HD21 ASN P 35 1.556 -5.374 11.164 1.00 1.00 H new ATOM 0 HD22 ASN P 35 0.262 -4.651 12.126 1.00 1.00 H new ATOM 587 N PHE P 36 -1.318 -1.786 9.071 1.00 1.00 N ATOM 588 CA PHE P 36 -2.006 -2.320 7.902 1.00 2.61 C ATOM 589 C PHE P 36 -1.901 -1.384 6.705 1.00 1.00 C ATOM 590 O PHE P 36 -1.881 -1.832 5.555 1.00 1.00 O ATOM 591 CB PHE P 36 -3.483 -2.590 8.212 1.00 1.00 C ATOM 592 CG PHE P 36 -4.152 -3.226 7.013 1.00 1.00 C ATOM 593 CD1 PHE P 36 -3.798 -4.523 6.629 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.127 -2.523 6.288 1.00 1.00 C ATOM 595 CE1 PHE P 36 -4.415 -5.120 5.524 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.743 -3.121 5.183 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.387 -4.419 4.801 1.00 1.00 C ATOM 0 H PHE P 36 -1.928 -1.545 9.852 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.513 -3.258 7.648 1.00 2.61 H new ATOM 0 HB2 PHE P 36 -3.568 -3.247 9.078 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -3.986 -1.658 8.468 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -3.048 -5.065 7.186 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.402 -1.521 6.583 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -4.141 -6.122 5.229 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.493 -2.581 4.625 1.00 1.00 H new ATOM 0 HZ PHE P 36 -5.862 -4.880 3.948 1.00 1.00 H new ATOM 607 N ALA P 37 -1.826 -0.089 6.967 1.00 1.00 N ATOM 608 CA ALA P 37 -1.715 0.883 5.893 1.00 1.84 C ATOM 609 C ALA P 37 -0.303 0.860 5.324 1.00 1.00 C ATOM 610 O ALA P 37 -0.098 1.031 4.123 1.00 1.00 O ATOM 611 CB ALA P 37 -2.037 2.283 6.415 1.00 1.00 C ATOM 0 H ALA P 37 -1.840 0.310 7.906 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.426 0.626 5.108 1.00 1.84 H new ATOM 0 HB1 ALA P 37 -1.951 3.003 5.602 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -3.053 2.300 6.808 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.337 2.546 7.208 1.00 1.00 H new ATOM 617 N LEU P 38 0.669 0.645 6.207 1.00 1.00 N ATOM 618 CA LEU P 38 2.064 0.598 5.799 1.00 1.99 C ATOM 619 C LEU P 38 2.282 -0.558 4.826 1.00 1.00 C ATOM 620 O LEU P 38 3.038 -0.439 3.865 1.00 1.00 O ATOM 621 CB LEU P 38 2.980 0.453 7.028 1.00 1.00 C ATOM 622 CG LEU P 38 3.160 1.811 7.737 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.766 1.573 9.125 1.00 1.00 C ATOM 624 CD2 LEU P 38 4.089 2.750 6.919 1.00 1.00 C ATOM 0 H LEU P 38 0.514 0.502 7.205 1.00 1.00 H new ATOM 0 HA LEU P 38 2.316 1.531 5.296 1.00 1.99 H new ATOM 0 HB2 LEU P 38 2.554 -0.272 7.722 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.951 0.066 6.720 1.00 1.00 H new ATOM 0 HG LEU P 38 2.185 2.291 7.827 1.00 1.00 H new ATOM 0 HD11 LEU P 38 3.897 2.528 9.634 1.00 1.00 H new ATOM 0 HD12 LEU P 38 3.099 0.939 9.709 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.734 1.082 9.020 1.00 1.00 H new ATOM 0 HD21 LEU P 38 4.198 3.700 7.442 1.00 1.00 H new ATOM 0 HD22 LEU P 38 5.068 2.284 6.805 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.654 2.926 5.935 1.00 1.00 H new ATOM 636 N ILE P 39 1.614 -1.677 5.067 1.00 1.00 N ATOM 637 CA ILE P 39 1.762 -2.817 4.177 1.00 2.99 C ATOM 638 C ILE P 39 1.205 -2.442 2.803 1.00 1.00 C ATOM 639 O ILE P 39 1.810 -2.726 1.772 1.00 1.00 O ATOM 640 CB ILE P 39 1.008 -4.029 4.735 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.698 -4.508 6.017 1.00 1.00 C ATOM 642 CG2 ILE P 39 1.013 -5.162 3.703 1.00 1.00 C ATOM 643 CD1 ILE P 39 0.813 -5.535 6.725 1.00 1.00 C ATOM 0 H ILE P 39 0.979 -1.818 5.852 1.00 1.00 H new ATOM 0 HA ILE P 39 2.816 -3.080 4.091 1.00 2.99 H new ATOM 0 HB ILE P 39 -0.021 -3.745 4.954 1.00 1.00 H new ATOM 0 HG12 ILE P 39 2.665 -4.950 5.778 1.00 1.00 H new ATOM 0 HG13 ILE P 39 1.889 -3.662 6.677 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.476 -6.022 4.104 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.525 -4.824 2.789 1.00 1.00 H new ATOM 0 HG23 ILE P 39 2.041 -5.448 3.481 1.00 1.00 H new ATOM 0 HD11 ILE P 39 1.306 -5.874 7.636 1.00 1.00 H new ATOM 0 HD12 ILE P 39 -0.143 -5.078 6.979 1.00 1.00 H new ATOM 0 HD13 ILE P 39 0.645 -6.386 6.066 1.00 1.00 H new ATOM 655 N LEU P 40 0.041 -1.798 2.816 1.00 1.00 N ATOM 656 CA LEU P 40 -0.605 -1.377 1.573 1.00 2.64 C ATOM 657 C LEU P 40 0.220 -0.302 0.852 1.00 1.00 C ATOM 658 O LEU P 40 0.453 -0.391 -0.353 1.00 1.00 O ATOM 659 CB LEU P 40 -2.004 -0.828 1.865 1.00 1.00 C ATOM 660 CG LEU P 40 -2.946 -1.956 2.313 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.262 -1.338 2.802 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.229 -2.935 1.140 1.00 1.00 C ATOM 0 H LEU P 40 -0.472 -1.557 3.664 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.679 -2.251 0.926 1.00 2.64 H new ATOM 0 HB2 LEU P 40 -1.946 -0.065 2.642 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.404 -0.345 0.973 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.473 -2.517 3.119 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -4.939 -2.130 3.123 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -4.061 -0.671 3.640 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -4.722 -0.774 1.991 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -3.898 -3.726 1.479 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.696 -2.393 0.318 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.292 -3.374 0.799 1.00 1.00 H new ATOM 674 N ILE P 41 0.644 0.715 1.598 1.00 1.00 N ATOM 675 CA ILE P 41 1.426 1.798 0.996 1.00 1.89 C ATOM 676 C ILE P 41 2.741 1.252 0.420 1.00 1.00 C ATOM 677 O ILE P 41 3.126 1.597 -0.696 1.00 1.00 O ATOM 678 CB ILE P 41 1.660 2.953 2.030 1.00 1.00 C ATOM 679 CG1 ILE P 41 1.657 4.333 1.309 1.00 1.00 C ATOM 680 CG2 ILE P 41 2.998 2.783 2.779 1.00 1.00 C ATOM 681 CD1 ILE P 41 0.217 4.833 1.112 1.00 1.00 C ATOM 0 H ILE P 41 0.466 0.815 2.597 1.00 1.00 H new ATOM 0 HA ILE P 41 0.863 2.225 0.166 1.00 1.89 H new ATOM 0 HB ILE P 41 0.846 2.908 2.754 1.00 1.00 H new ATOM 0 HG12 ILE P 41 2.223 5.057 1.895 1.00 1.00 H new ATOM 0 HG13 ILE P 41 2.154 4.246 0.343 1.00 1.00 H new ATOM 0 HG21 ILE P 41 3.125 3.602 3.487 1.00 1.00 H new ATOM 0 HG22 ILE P 41 2.996 1.835 3.317 1.00 1.00 H new ATOM 0 HG23 ILE P 41 3.820 2.791 2.063 1.00 1.00 H new ATOM 0 HD11 ILE P 41 0.233 5.799 0.607 1.00 1.00 H new ATOM 0 HD12 ILE P 41 -0.338 4.116 0.507 1.00 1.00 H new ATOM 0 HD13 ILE P 41 -0.267 4.940 2.083 1.00 1.00 H new ATOM 693 N PHE P 42 3.422 0.404 1.182 1.00 1.00 N ATOM 694 CA PHE P 42 4.683 -0.174 0.727 1.00 2.29 C ATOM 695 C PHE P 42 4.484 -0.921 -0.588 1.00 1.00 C ATOM 696 O PHE P 42 5.266 -0.770 -1.526 1.00 1.00 O ATOM 697 CB PHE P 42 5.226 -1.139 1.782 1.00 1.00 C ATOM 698 CG PHE P 42 6.545 -1.711 1.313 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.711 -0.942 1.408 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.603 -3.008 0.785 1.00 1.00 C ATOM 701 CE1 PHE P 42 8.934 -1.468 0.976 1.00 1.00 C ATOM 702 CE2 PHE P 42 7.827 -3.533 0.352 1.00 1.00 C ATOM 703 CZ PHE P 42 8.993 -2.764 0.448 1.00 1.00 C ATOM 0 H PHE P 42 3.126 0.103 2.110 1.00 1.00 H new ATOM 0 HA PHE P 42 5.397 0.635 0.571 1.00 2.29 H new ATOM 0 HB2 PHE P 42 5.360 -0.619 2.731 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.511 -1.943 1.957 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.667 0.057 1.815 1.00 1.00 H new ATOM 0 HD2 PHE P 42 5.704 -3.602 0.712 1.00 1.00 H new ATOM 0 HE1 PHE P 42 9.833 -0.874 1.050 1.00 1.00 H new ATOM 0 HE2 PHE P 42 7.871 -4.532 -0.056 1.00 1.00 H new ATOM 0 HZ PHE P 42 9.937 -3.170 0.115 1.00 1.00 H new ATOM 713 N LEU P 43 3.429 -1.724 -0.646 1.00 1.00 N ATOM 714 CA LEU P 43 3.128 -2.492 -1.846 1.00 2.51 C ATOM 715 C LEU P 43 2.800 -1.556 -3.005 1.00 1.00 C ATOM 716 O LEU P 43 3.214 -1.786 -4.136 1.00 1.00 O ATOM 717 CB LEU P 43 1.948 -3.435 -1.592 1.00 1.00 C ATOM 718 CG LEU P 43 2.356 -4.571 -0.637 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.091 -5.296 -0.164 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.299 -5.579 -1.346 1.00 1.00 C ATOM 0 H LEU P 43 2.770 -1.860 0.121 1.00 1.00 H new ATOM 0 HA LEU P 43 4.006 -3.084 -2.105 1.00 2.51 H new ATOM 0 HB2 LEU P 43 1.115 -2.876 -1.166 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.601 -3.854 -2.536 1.00 1.00 H new ATOM 0 HG LEU P 43 2.890 -4.146 0.213 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.367 -6.104 0.514 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.441 -4.592 0.356 1.00 1.00 H new ATOM 0 HD13 LEU P 43 0.565 -5.708 -1.025 1.00 1.00 H new ATOM 0 HD21 LEU P 43 3.573 -6.372 -0.650 1.00 1.00 H new ATOM 0 HD22 LEU P 43 2.788 -6.011 -2.206 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.199 -5.062 -1.680 1.00 1.00 H new ATOM 732 N LEU P 44 2.059 -0.497 -2.725 1.00 1.00 N ATOM 733 CA LEU P 44 1.701 0.451 -3.767 1.00 2.30 C ATOM 734 C LEU P 44 2.946 1.167 -4.287 1.00 1.00 C ATOM 735 O LEU P 44 3.066 1.429 -5.484 1.00 1.00 O ATOM 736 CB LEU P 44 0.697 1.479 -3.229 1.00 1.00 C ATOM 737 CG LEU P 44 -0.681 0.826 -2.999 1.00 1.00 C ATOM 738 CD1 LEU P 44 -1.540 1.763 -2.141 1.00 1.00 C ATOM 739 CD2 LEU P 44 -1.399 0.562 -4.348 1.00 1.00 C ATOM 0 H LEU P 44 1.698 -0.273 -1.798 1.00 1.00 H new ATOM 0 HA LEU P 44 1.241 -0.099 -4.588 1.00 2.30 H new ATOM 0 HB2 LEU P 44 1.066 1.900 -2.294 1.00 1.00 H new ATOM 0 HB3 LEU P 44 0.601 2.304 -3.934 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.538 -0.128 -2.492 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.517 1.309 -1.973 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -1.049 1.932 -1.183 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -1.666 2.715 -2.657 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -2.369 0.101 -4.160 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -1.542 1.505 -4.875 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.792 -0.106 -4.959 1.00 1.00 H new ATOM 751 N LEU P 45 3.870 1.489 -3.381 1.00 1.00 N ATOM 752 CA LEU P 45 5.101 2.185 -3.766 1.00 2.39 C ATOM 753 C LEU P 45 5.973 1.363 -4.713 1.00 1.00 C ATOM 754 O LEU P 45 6.512 1.902 -5.675 1.00 1.00 O ATOM 755 CB LEU P 45 5.910 2.559 -2.516 1.00 1.00 C ATOM 756 CG LEU P 45 5.219 3.697 -1.740 1.00 1.00 C ATOM 757 CD1 LEU P 45 5.833 3.792 -0.338 1.00 1.00 C ATOM 758 CD2 LEU P 45 5.395 5.055 -2.472 1.00 1.00 C ATOM 0 H LEU P 45 3.792 1.282 -2.385 1.00 1.00 H new ATOM 0 HA LEU P 45 4.799 3.086 -4.301 1.00 2.39 H new ATOM 0 HB2 LEU P 45 6.018 1.686 -1.872 1.00 1.00 H new ATOM 0 HB3 LEU P 45 6.915 2.867 -2.806 1.00 1.00 H new ATOM 0 HG LEU P 45 4.153 3.478 -1.673 1.00 1.00 H new ATOM 0 HD11 LEU P 45 5.349 4.595 0.217 1.00 1.00 H new ATOM 0 HD12 LEU P 45 5.687 2.848 0.188 1.00 1.00 H new ATOM 0 HD13 LEU P 45 6.900 4.000 -0.421 1.00 1.00 H new ATOM 0 HD21 LEU P 45 4.898 5.842 -1.904 1.00 1.00 H new ATOM 0 HD22 LEU P 45 6.457 5.286 -2.560 1.00 1.00 H new ATOM 0 HD23 LEU P 45 4.954 4.992 -3.467 1.00 1.00 H new ATOM 770 N ILE P 46 6.118 0.073 -4.458 1.00 1.00 N ATOM 771 CA ILE P 46 6.946 -0.750 -5.339 1.00 2.17 C ATOM 772 C ILE P 46 6.299 -0.800 -6.725 1.00 1.00 C ATOM 773 O ILE P 46 6.983 -0.779 -7.745 1.00 1.00 O ATOM 774 CB ILE P 46 7.166 -2.175 -4.738 1.00 1.00 C ATOM 775 CG1 ILE P 46 8.531 -2.746 -5.189 1.00 1.00 C ATOM 776 CG2 ILE P 46 6.063 -3.154 -5.179 1.00 1.00 C ATOM 777 CD1 ILE P 46 9.704 -1.963 -4.566 1.00 1.00 C ATOM 0 H ILE P 46 5.690 -0.420 -3.674 1.00 1.00 H new ATOM 0 HA ILE P 46 7.936 -0.304 -5.434 1.00 2.17 H new ATOM 0 HB ILE P 46 7.138 -2.070 -3.653 1.00 1.00 H new ATOM 0 HG12 ILE P 46 8.600 -3.796 -4.903 1.00 1.00 H new ATOM 0 HG13 ILE P 46 8.602 -2.706 -6.276 1.00 1.00 H new ATOM 0 HG21 ILE P 46 6.250 -4.134 -4.741 1.00 1.00 H new ATOM 0 HG22 ILE P 46 5.094 -2.786 -4.843 1.00 1.00 H new ATOM 0 HG23 ILE P 46 6.063 -3.236 -6.266 1.00 1.00 H new ATOM 0 HD11 ILE P 46 10.648 -2.391 -4.904 1.00 1.00 H new ATOM 0 HD12 ILE P 46 9.648 -0.919 -4.873 1.00 1.00 H new ATOM 0 HD13 ILE P 46 9.646 -2.025 -3.479 1.00 1.00 H new ATOM 789 N ALA P 47 4.971 -0.864 -6.741 1.00 1.00 N ATOM 790 CA ALA P 47 4.240 -0.911 -8.002 1.00 1.93 C ATOM 791 C ALA P 47 4.604 0.306 -8.851 1.00 1.00 C ATOM 792 O ALA P 47 4.895 0.182 -10.041 1.00 1.00 O ATOM 793 CB ALA P 47 2.732 -0.928 -7.741 1.00 1.00 C ATOM 0 H ALA P 47 4.385 -0.884 -5.906 1.00 1.00 H new ATOM 0 HA ALA P 47 4.514 -1.821 -8.536 1.00 1.93 H new ATOM 0 HB1 ALA P 47 2.199 -0.963 -8.691 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.475 -1.806 -7.148 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.447 -0.027 -7.198 1.00 1.00 H new ATOM 799 N ILE P 48 4.580 1.481 -8.227 1.00 1.00 N ATOM 800 CA ILE P 48 4.905 2.721 -8.928 1.00 3.11 C ATOM 801 C ILE P 48 6.352 2.692 -9.423 1.00 1.00 C ATOM 802 O ILE P 48 6.637 3.071 -10.559 1.00 1.00 O ATOM 803 CB ILE P 48 4.699 3.915 -7.988 1.00 1.00 C ATOM 804 CG1 ILE P 48 3.206 4.061 -7.678 1.00 1.00 C ATOM 805 CG2 ILE P 48 5.202 5.200 -8.656 1.00 1.00 C ATOM 806 CD1 ILE P 48 3.015 5.060 -6.535 1.00 1.00 C ATOM 0 H ILE P 48 4.340 1.601 -7.243 1.00 1.00 H new ATOM 0 HA ILE P 48 4.245 2.821 -9.790 1.00 3.11 H new ATOM 0 HB ILE P 48 5.257 3.746 -7.067 1.00 1.00 H new ATOM 0 HG12 ILE P 48 2.672 4.401 -8.565 1.00 1.00 H new ATOM 0 HG13 ILE P 48 2.785 3.094 -7.403 1.00 1.00 H new ATOM 0 HG21 ILE P 48 5.052 6.043 -7.982 1.00 1.00 H new ATOM 0 HG22 ILE P 48 6.264 5.101 -8.882 1.00 1.00 H new ATOM 0 HG23 ILE P 48 4.648 5.371 -9.579 1.00 1.00 H new ATOM 0 HD11 ILE P 48 1.952 5.163 -6.316 1.00 1.00 H new ATOM 0 HD12 ILE P 48 3.536 4.701 -5.647 1.00 1.00 H new ATOM 0 HD13 ILE P 48 3.421 6.029 -6.827 1.00 1.00 H new ATOM 818 N ILE P 49 7.258 2.237 -8.564 1.00 1.00 N ATOM 819 CA ILE P 49 8.668 2.161 -8.932 1.00 1.00 C ATOM 820 C ILE P 49 8.852 1.155 -10.060 1.00 1.00 C ATOM 821 O ILE P 49 9.566 1.412 -11.026 1.00 1.00 O ATOM 822 CB ILE P 49 9.507 1.738 -7.723 1.00 1.00 C ATOM 823 CG1 ILE P 49 9.491 2.838 -6.635 1.00 1.00 C ATOM 824 CG2 ILE P 49 10.952 1.438 -8.143 1.00 1.00 C ATOM 825 CD1 ILE P 49 10.055 4.174 -7.155 1.00 1.00 C ATOM 0 H ILE P 49 7.045 1.919 -7.619 1.00 1.00 H new ATOM 0 HA ILE P 49 8.999 3.144 -9.266 1.00 1.00 H new ATOM 0 HB ILE P 49 9.067 0.830 -7.310 1.00 1.00 H new ATOM 0 HG12 ILE P 49 8.469 2.987 -6.286 1.00 1.00 H new ATOM 0 HG13 ILE P 49 10.076 2.507 -5.777 1.00 1.00 H new ATOM 0 HG21 ILE P 49 11.530 1.139 -7.269 1.00 1.00 H new ATOM 0 HG22 ILE P 49 10.958 0.631 -8.875 1.00 1.00 H new ATOM 0 HG23 ILE P 49 11.396 2.331 -8.584 1.00 1.00 H new ATOM 0 HD11 ILE P 49 10.024 4.917 -6.358 1.00 1.00 H new ATOM 0 HD12 ILE P 49 11.086 4.032 -7.479 1.00 1.00 H new ATOM 0 HD13 ILE P 49 9.454 4.520 -7.996 1.00 1.00 H new ATOM 837 N VAL P 50 8.199 0.012 -9.929 1.00 1.00 N ATOM 838 CA VAL P 50 8.297 -1.023 -10.947 1.00 1.00 C ATOM 839 C VAL P 50 7.736 -0.485 -12.255 1.00 1.00 C ATOM 840 O VAL P 50 8.344 -0.633 -13.315 1.00 1.00 O ATOM 841 CB VAL P 50 7.528 -2.278 -10.505 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.398 -3.263 -11.675 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.284 -2.959 -9.357 1.00 1.00 C ATOM 0 H VAL P 50 7.601 -0.222 -9.137 1.00 1.00 H new ATOM 0 HA VAL P 50 9.342 -1.300 -11.089 1.00 1.00 H new ATOM 0 HB VAL P 50 6.532 -1.983 -10.174 1.00 1.00 H new ATOM 0 HG11 VAL P 50 6.851 -4.147 -11.347 1.00 1.00 H new ATOM 0 HG12 VAL P 50 6.859 -2.786 -12.494 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.391 -3.556 -12.016 1.00 1.00 H new ATOM 0 HG21 VAL P 50 7.741 -3.850 -9.041 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.281 -3.243 -9.695 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.369 -2.269 -8.517 1.00 1.00 H new ATOM 853 N MET P 51 6.571 0.145 -12.168 1.00 1.00 N ATOM 854 CA MET P 51 5.929 0.708 -13.341 1.00 1.00 C ATOM 855 C MET P 51 6.735 1.892 -13.867 1.00 1.00 C ATOM 856 O MET P 51 6.707 2.179 -15.064 1.00 1.00 O ATOM 857 CB MET P 51 4.492 1.154 -13.014 1.00 1.00 C ATOM 858 CG MET P 51 3.560 -0.066 -12.950 1.00 1.00 C ATOM 859 SD MET P 51 1.845 0.484 -12.757 1.00 1.00 S ATOM 860 CE MET P 51 1.947 1.044 -11.039 1.00 1.00 C ATOM 0 H MET P 51 6.055 0.277 -11.298 1.00 1.00 H new ATOM 0 HA MET P 51 5.886 -0.063 -14.110 1.00 1.00 H new ATOM 0 HB2 MET P 51 4.476 1.684 -12.062 1.00 1.00 H new ATOM 0 HB3 MET P 51 4.138 1.852 -13.773 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.661 -0.661 -13.858 1.00 1.00 H new ATOM 0 HG3 MET P 51 3.842 -0.708 -12.115 1.00 1.00 H new ATOM 0 HE1 MET P 51 0.942 1.208 -10.649 1.00 1.00 H new ATOM 0 HE2 MET P 51 2.450 0.286 -10.438 1.00 1.00 H new ATOM 0 HE3 MET P 51 2.511 1.976 -10.993 1.00 1.00 H new ATOM 870 N LEU P 52 7.453 2.586 -12.980 1.00 1.00 N ATOM 871 CA LEU P 52 8.243 3.736 -13.409 1.00 1.00 C ATOM 872 C LEU P 52 9.279 3.324 -14.448 1.00 1.00 C ATOM 873 O LEU P 52 9.513 4.043 -15.419 1.00 1.00 O ATOM 874 CB LEU P 52 8.930 4.388 -12.199 1.00 1.00 C ATOM 875 CG LEU P 52 9.797 5.583 -12.633 1.00 1.00 C ATOM 876 CD1 LEU P 52 8.951 6.620 -13.395 1.00 1.00 C ATOM 877 CD2 LEU P 52 10.400 6.228 -11.377 1.00 1.00 C ATOM 0 H LEU P 52 7.502 2.376 -11.983 1.00 1.00 H new ATOM 0 HA LEU P 52 7.572 4.462 -13.867 1.00 1.00 H new ATOM 0 HB2 LEU P 52 8.177 4.721 -11.485 1.00 1.00 H new ATOM 0 HB3 LEU P 52 9.550 3.651 -11.688 1.00 1.00 H new ATOM 0 HG LEU P 52 10.588 5.235 -13.298 1.00 1.00 H new ATOM 0 HD11 LEU P 52 9.583 7.457 -13.693 1.00 1.00 H new ATOM 0 HD12 LEU P 52 8.520 6.157 -14.283 1.00 1.00 H new ATOM 0 HD13 LEU P 52 8.151 6.982 -12.750 1.00 1.00 H new ATOM 0 HD21 LEU P 52 11.018 7.078 -11.666 1.00 1.00 H new ATOM 0 HD22 LEU P 52 9.598 6.569 -10.722 1.00 1.00 H new ATOM 0 HD23 LEU P 52 11.012 5.496 -10.850 1.00 1.00 H new ATOM 889 N LEU P 53 9.898 2.172 -14.245 1.00 1.00 N ATOM 890 CA LEU P 53 10.907 1.688 -15.183 1.00 1.00 C ATOM 891 C LEU P 53 10.317 1.589 -16.587 1.00 1.00 C ATOM 892 O LEU P 53 10.926 2.118 -17.502 1.00 1.00 O ATOM 893 CB LEU P 53 11.416 0.311 -14.747 1.00 1.00 C ATOM 894 CG LEU P 53 11.906 0.364 -13.294 1.00 1.00 C ATOM 895 CD1 LEU P 53 12.349 -1.038 -12.861 1.00 1.00 C ATOM 896 CD2 LEU P 53 13.090 1.347 -13.168 1.00 1.00 C ATOM 897 OXT LEU P 53 9.267 0.986 -16.726 1.00 1.00 O ATOM 0 H LEU P 53 9.725 1.558 -13.449 1.00 1.00 H new ATOM 0 HA LEU P 53 11.738 2.393 -15.191 1.00 1.00 H new ATOM 0 HB2 LEU P 53 10.619 -0.427 -14.843 1.00 1.00 H new ATOM 0 HB3 LEU P 53 12.227 -0.009 -15.401 1.00 1.00 H new ATOM 0 HG LEU P 53 11.095 0.708 -12.652 1.00 1.00 H new ATOM 0 HD11 LEU P 53 12.698 -1.007 -11.829 1.00 1.00 H new ATOM 0 HD12 LEU P 53 11.507 -1.726 -12.938 1.00 1.00 H new ATOM 0 HD13 LEU P 53 13.157 -1.380 -13.507 1.00 1.00 H new ATOM 0 HD21 LEU P 53 13.430 1.377 -12.133 1.00 1.00 H new ATOM 0 HD22 LEU P 53 13.907 1.016 -13.809 1.00 1.00 H new ATOM 0 HD23 LEU P 53 12.770 2.343 -13.474 1.00 1.00 H new