USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 461 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: P 24 GLN : amide:sc= 0 K(o=-0.67,f=-2.3!) USER MOD Set 1.2: P 28 ASN : amide:sc= -0.669 K(o=-0.67,f=-2.2!) USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.28) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 75:sc= 1.01 USER MOD Single : P 11 SER OG : rot -15:sc= 0.00312 USER MOD Single : P 17 SER OG : rot 79:sc= 0.341 USER MOD Single : P 18 THR OG1 : rot -71:sc= 1.01 USER MOD Single : P 21 MET CE :methyl 156:sc= -0.0148 (180deg=-0.932) USER MOD Single : P 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 30 GLN : amide:sc= -2.4! C(o=-2.4!,f=-3.4!) USER MOD Single : P 31 ASN : amide:sc= -3.52! C(o=-3.5!,f=-3.8!) USER MOD Single : P 35 ASN : amide:sc= -1.73! C(o=-1.7!,f=-4.5!) USER MOD Single : P 51 MET CE :methyl -170:sc= -1.24 (180deg=-1.58) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU P 3 -33.637 2.869 14.187 1.00 1.00 N ATOM 31 CA GLU P 3 -33.095 3.511 15.382 1.00 1.00 C ATOM 32 C GLU P 3 -31.589 3.274 15.488 1.00 1.00 C ATOM 33 O GLU P 3 -30.845 4.160 15.909 1.00 1.00 O ATOM 34 CB GLU P 3 -33.790 2.969 16.636 1.00 1.00 C ATOM 35 CG GLU P 3 -35.280 3.329 16.607 1.00 1.00 C ATOM 36 CD GLU P 3 -35.461 4.840 16.701 1.00 1.00 C ATOM 37 OE1 GLU P 3 -34.534 5.503 17.133 1.00 1.00 O ATOM 38 OE2 GLU P 3 -36.527 5.313 16.339 1.00 1.00 O ATOM 0 HA GLU P 3 -33.277 4.583 15.303 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -33.670 1.887 16.689 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -33.324 3.386 17.529 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -35.733 2.958 15.688 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -35.795 2.842 17.435 1.00 1.00 H new ATOM 45 N LYS P 4 -31.148 2.082 15.104 1.00 1.00 N ATOM 46 CA LYS P 4 -29.728 1.753 15.162 1.00 1.00 C ATOM 47 C LYS P 4 -28.938 2.690 14.262 1.00 1.00 C ATOM 48 O LYS P 4 -27.847 3.141 14.608 1.00 1.00 O ATOM 49 CB LYS P 4 -29.507 0.305 14.712 1.00 1.00 C ATOM 50 CG LYS P 4 -30.116 -0.645 15.744 1.00 1.00 C ATOM 51 CD LYS P 4 -30.034 -2.094 15.238 1.00 1.00 C ATOM 52 CE LYS P 4 -28.609 -2.642 15.395 1.00 1.00 C ATOM 53 NZ LYS P 4 -28.617 -4.109 15.134 1.00 1.00 N ATOM 0 H LYS P 4 -31.746 1.334 14.753 1.00 1.00 H new ATOM 0 HA LYS P 4 -29.384 1.868 16.190 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -29.965 0.142 13.736 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -28.441 0.105 14.602 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -29.587 -0.552 16.693 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -31.155 -0.375 15.931 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -30.733 -2.719 15.794 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -30.332 -2.136 14.190 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -27.935 -2.141 14.700 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -28.238 -2.441 16.400 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -27.653 -4.486 15.239 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -29.248 -4.579 15.814 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -28.955 -4.288 14.167 1.00 1.00 H new ATOM 67 N VAL P 5 -29.513 2.975 13.106 1.00 1.00 N ATOM 68 CA VAL P 5 -28.884 3.861 12.140 1.00 1.00 C ATOM 69 C VAL P 5 -28.796 5.277 12.694 1.00 1.00 C ATOM 70 O VAL P 5 -27.773 5.949 12.561 1.00 1.00 O ATOM 71 CB VAL P 5 -29.681 3.859 10.834 1.00 1.00 C ATOM 72 CG1 VAL P 5 -29.089 4.883 9.862 1.00 1.00 C ATOM 73 CG2 VAL P 5 -29.612 2.464 10.201 1.00 1.00 C ATOM 0 H VAL P 5 -30.417 2.605 12.813 1.00 1.00 H new ATOM 0 HA VAL P 5 -27.874 3.501 11.943 1.00 1.00 H new ATOM 0 HB VAL P 5 -30.718 4.120 11.045 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -29.661 4.877 8.934 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -29.133 5.876 10.309 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -28.051 4.626 9.650 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -30.179 2.458 9.270 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -28.573 2.209 9.994 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -30.036 1.731 10.888 1.00 1.00 H new ATOM 83 N GLN P 6 -29.881 5.724 13.315 1.00 1.00 N ATOM 84 CA GLN P 6 -29.925 7.063 13.889 1.00 1.00 C ATOM 85 C GLN P 6 -28.919 7.202 15.022 1.00 1.00 C ATOM 86 O GLN P 6 -28.159 8.168 15.069 1.00 1.00 O ATOM 87 CB GLN P 6 -31.328 7.365 14.416 1.00 1.00 C ATOM 88 CG GLN P 6 -32.327 7.399 13.253 1.00 1.00 C ATOM 89 CD GLN P 6 -32.021 8.575 12.327 1.00 1.00 C ATOM 90 OE1 GLN P 6 -31.916 9.716 12.781 1.00 1.00 O ATOM 91 NE2 GLN P 6 -31.868 8.365 11.049 1.00 1.00 N ATOM 0 H GLN P 6 -30.737 5.183 13.434 1.00 1.00 H new ATOM 0 HA GLN P 6 -29.669 7.774 13.104 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -31.625 6.606 15.140 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -31.332 8.322 14.938 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -32.277 6.464 12.694 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -33.343 7.486 13.639 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -31.955 7.421 10.673 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -31.661 9.145 10.425 1.00 1.00 H new ATOM 100 N TYR P 7 -28.914 6.240 15.932 1.00 1.00 N ATOM 101 CA TYR P 7 -27.984 6.284 17.059 1.00 1.00 C ATOM 102 C TYR P 7 -26.542 6.262 16.563 1.00 1.00 C ATOM 103 O TYR P 7 -25.737 7.123 16.926 1.00 1.00 O ATOM 104 CB TYR P 7 -28.234 5.090 17.984 1.00 1.00 C ATOM 105 CG TYR P 7 -27.207 5.072 19.094 1.00 1.00 C ATOM 106 CD1 TYR P 7 -27.379 5.888 20.217 1.00 1.00 C ATOM 107 CD2 TYR P 7 -26.084 4.239 18.998 1.00 1.00 C ATOM 108 CE1 TYR P 7 -26.431 5.873 21.247 1.00 1.00 C ATOM 109 CE2 TYR P 7 -25.134 4.224 20.028 1.00 1.00 C ATOM 110 CZ TYR P 7 -25.307 5.041 21.154 1.00 1.00 C ATOM 111 OH TYR P 7 -24.371 5.024 22.169 1.00 1.00 O ATOM 0 H TYR P 7 -29.532 5.429 15.917 1.00 1.00 H new ATOM 0 HA TYR P 7 -28.148 7.209 17.611 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -29.237 5.150 18.406 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -28.183 4.162 17.415 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -28.244 6.530 20.290 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -25.951 3.609 18.131 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -26.566 6.503 22.114 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -24.268 3.583 19.954 1.00 1.00 H new ATOM 0 HH TYR P 7 -23.657 4.392 21.945 1.00 1.00 H new ATOM 121 N LEU P 8 -26.220 5.274 15.735 1.00 1.00 N ATOM 122 CA LEU P 8 -24.870 5.150 15.199 1.00 1.00 C ATOM 123 C LEU P 8 -24.392 6.494 14.645 1.00 1.00 C ATOM 124 O LEU P 8 -23.227 6.856 14.805 1.00 1.00 O ATOM 125 CB LEU P 8 -24.844 4.086 14.092 1.00 1.00 C ATOM 126 CG LEU P 8 -24.888 2.673 14.704 1.00 1.00 C ATOM 127 CD1 LEU P 8 -25.214 1.660 13.605 1.00 1.00 C ATOM 128 CD2 LEU P 8 -23.530 2.310 15.355 1.00 1.00 C ATOM 0 H LEU P 8 -26.870 4.553 15.422 1.00 1.00 H new ATOM 0 HA LEU P 8 -24.199 4.846 16.003 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -25.694 4.226 13.424 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -23.943 4.201 13.490 1.00 1.00 H new ATOM 0 HG LEU P 8 -25.657 2.650 15.476 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -25.247 0.658 14.032 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -26.183 1.899 13.166 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -24.446 1.701 12.833 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -23.587 1.308 15.780 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -22.745 2.340 14.600 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -23.302 3.026 16.144 1.00 1.00 H new ATOM 140 N THR P 9 -25.291 7.230 13.998 1.00 1.00 N ATOM 141 CA THR P 9 -24.933 8.528 13.435 1.00 1.00 C ATOM 142 C THR P 9 -24.506 9.496 14.542 1.00 1.00 C ATOM 143 O THR P 9 -23.486 10.186 14.421 1.00 1.00 O ATOM 144 CB THR P 9 -26.121 9.111 12.667 1.00 1.00 C ATOM 145 OG1 THR P 9 -26.445 8.245 11.586 1.00 1.00 O ATOM 146 CG2 THR P 9 -25.754 10.494 12.127 1.00 1.00 C ATOM 0 H THR P 9 -26.262 6.954 13.851 1.00 1.00 H new ATOM 0 HA THR P 9 -24.096 8.388 12.751 1.00 1.00 H new ATOM 0 HB THR P 9 -26.979 9.204 13.332 1.00 1.00 H new ATOM 0 HG1 THR P 9 -26.904 7.450 11.930 1.00 1.00 H new ATOM 0 HG21 THR P 9 -26.601 10.908 11.580 1.00 1.00 H new ATOM 0 HG22 THR P 9 -25.501 11.153 12.957 1.00 1.00 H new ATOM 0 HG23 THR P 9 -24.898 10.408 11.458 1.00 1.00 H new ATOM 154 N ARG P 10 -25.279 9.550 15.628 1.00 1.00 N ATOM 155 CA ARG P 10 -24.932 10.444 16.724 1.00 1.00 C ATOM 156 C ARG P 10 -23.578 10.053 17.282 1.00 1.00 C ATOM 157 O ARG P 10 -22.734 10.894 17.536 1.00 1.00 O ATOM 158 CB ARG P 10 -25.992 10.388 17.829 1.00 1.00 C ATOM 159 CG ARG P 10 -27.272 11.065 17.341 1.00 1.00 C ATOM 160 CD ARG P 10 -28.338 10.986 18.429 1.00 1.00 C ATOM 161 NE ARG P 10 -28.798 9.612 18.581 1.00 1.00 N ATOM 162 CZ ARG P 10 -29.721 9.288 19.476 1.00 1.00 C ATOM 163 NH1 ARG P 10 -30.233 10.206 20.242 1.00 1.00 N ATOM 164 NH2 ARG P 10 -30.109 8.047 19.589 1.00 1.00 N ATOM 0 H ARG P 10 -26.126 9.000 15.768 1.00 1.00 H new ATOM 0 HA ARG P 10 -24.891 11.465 16.345 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -26.196 9.352 18.100 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -25.624 10.885 18.726 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -27.071 12.106 17.089 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -27.628 10.580 16.432 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -27.932 11.348 19.374 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -29.178 11.633 18.174 1.00 1.00 H new ATOM 0 HE ARG P 10 -28.402 8.884 17.986 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -29.924 11.174 20.154 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -30.943 9.958 20.931 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -29.702 7.329 18.990 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -30.819 7.795 20.277 1.00 1.00 H new ATOM 178 N SER P 11 -23.381 8.769 17.467 1.00 1.00 N ATOM 179 CA SER P 11 -22.118 8.275 17.993 1.00 1.00 C ATOM 180 C SER P 11 -21.017 8.497 16.969 1.00 1.00 C ATOM 181 O SER P 11 -19.859 8.659 17.307 1.00 1.00 O ATOM 182 CB SER P 11 -22.229 6.792 18.310 1.00 1.00 C ATOM 183 OG SER P 11 -22.590 6.096 17.127 1.00 1.00 O ATOM 0 H SER P 11 -24.071 8.046 17.264 1.00 1.00 H new ATOM 0 HA SER P 11 -21.878 8.817 18.908 1.00 1.00 H new ATOM 0 HB2 SER P 11 -21.281 6.416 18.694 1.00 1.00 H new ATOM 0 HB3 SER P 11 -22.975 6.627 19.087 1.00 1.00 H new ATOM 0 HG SER P 11 -22.911 6.735 16.457 1.00 1.00 H new ATOM 189 N ALA P 12 -21.403 8.505 15.712 1.00 1.00 N ATOM 190 CA ALA P 12 -20.440 8.705 14.652 1.00 1.00 C ATOM 191 C ALA P 12 -19.698 10.003 14.896 1.00 1.00 C ATOM 192 O ALA P 12 -18.500 10.111 14.626 1.00 1.00 O ATOM 193 CB ALA P 12 -21.124 8.738 13.282 1.00 1.00 C ATOM 0 H ALA P 12 -22.366 8.377 15.401 1.00 1.00 H new ATOM 0 HA ALA P 12 -19.738 7.871 14.652 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -20.375 8.890 12.505 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -21.639 7.793 13.110 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -21.845 9.555 13.255 1.00 1.00 H new ATOM 199 N ILE P 13 -20.426 10.994 15.414 1.00 1.00 N ATOM 200 CA ILE P 13 -19.820 12.306 15.702 1.00 1.00 C ATOM 201 C ILE P 13 -19.048 12.282 17.035 1.00 1.00 C ATOM 202 O ILE P 13 -17.961 12.846 17.138 1.00 1.00 O ATOM 203 CB ILE P 13 -20.896 13.448 15.664 1.00 1.00 C ATOM 204 CG1 ILE P 13 -20.296 14.742 15.059 1.00 1.00 C ATOM 205 CG2 ILE P 13 -21.431 13.790 17.068 1.00 1.00 C ATOM 206 CD1 ILE P 13 -19.984 14.567 13.565 1.00 1.00 C ATOM 0 H ILE P 13 -21.418 10.922 15.641 1.00 1.00 H new ATOM 0 HA ILE P 13 -19.096 12.523 14.917 1.00 1.00 H new ATOM 0 HB ILE P 13 -21.715 13.076 15.049 1.00 1.00 H new ATOM 0 HG12 ILE P 13 -20.996 15.567 15.192 1.00 1.00 H new ATOM 0 HG13 ILE P 13 -19.384 15.008 15.594 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -22.173 14.585 16.991 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -21.892 12.905 17.507 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -20.607 14.122 17.700 1.00 1.00 H new ATOM 0 HD11 ILE P 13 -19.564 15.492 13.170 1.00 1.00 H new ATOM 0 HD12 ILE P 13 -19.265 13.758 13.436 1.00 1.00 H new ATOM 0 HD13 ILE P 13 -20.901 14.326 13.028 1.00 1.00 H new ATOM 218 N ARG P 14 -19.613 11.630 18.052 1.00 1.00 N ATOM 219 CA ARG P 14 -18.951 11.557 19.353 1.00 1.00 C ATOM 220 C ARG P 14 -17.685 10.720 19.243 1.00 1.00 C ATOM 221 O ARG P 14 -16.619 11.096 19.720 1.00 1.00 O ATOM 222 CB ARG P 14 -19.894 10.936 20.382 1.00 1.00 C ATOM 223 CG ARG P 14 -19.241 10.947 21.760 1.00 1.00 C ATOM 224 CD ARG P 14 -20.242 10.426 22.787 1.00 1.00 C ATOM 225 NE ARG P 14 -20.568 9.031 22.512 1.00 1.00 N ATOM 226 CZ ARG P 14 -21.513 8.393 23.204 1.00 1.00 C ATOM 227 NH1 ARG P 14 -22.164 9.015 24.150 1.00 1.00 N ATOM 228 NH2 ARG P 14 -21.791 7.145 22.939 1.00 1.00 N ATOM 0 H ARG P 14 -20.513 11.152 18.002 1.00 1.00 H new ATOM 0 HA ARG P 14 -18.686 12.564 19.674 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -20.832 11.491 20.410 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -20.138 9.913 20.094 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -18.346 10.325 21.758 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -18.926 11.958 22.020 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -19.826 10.519 23.790 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -21.149 11.031 22.761 1.00 1.00 H new ATOM 0 HE ARG P 14 -20.064 8.534 21.777 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -21.950 9.990 24.360 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -22.886 8.526 24.678 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -21.285 6.655 22.201 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -22.514 6.660 23.470 1.00 1.00 H new ATOM 242 N ARG P 15 -17.830 9.578 18.606 1.00 1.00 N ATOM 243 CA ARG P 15 -16.731 8.659 18.411 1.00 1.00 C ATOM 244 C ARG P 15 -15.575 9.406 17.776 1.00 1.00 C ATOM 245 O ARG P 15 -14.416 9.176 18.087 1.00 1.00 O ATOM 246 CB ARG P 15 -17.196 7.514 17.508 1.00 1.00 C ATOM 247 CG ARG P 15 -18.144 6.608 18.292 1.00 1.00 C ATOM 248 CD ARG P 15 -18.809 5.611 17.341 1.00 1.00 C ATOM 249 NE ARG P 15 -17.800 4.729 16.757 1.00 1.00 N ATOM 250 CZ ARG P 15 -17.409 3.614 17.371 1.00 1.00 C ATOM 251 NH1 ARG P 15 -17.943 3.266 18.512 1.00 1.00 N ATOM 252 NH2 ARG P 15 -16.490 2.864 16.825 1.00 1.00 N ATOM 0 H ARG P 15 -18.714 9.261 18.209 1.00 1.00 H new ATOM 0 HA ARG P 15 -16.402 8.244 19.364 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -17.700 7.912 16.627 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -16.338 6.943 17.154 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -17.594 6.074 19.067 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -18.903 7.208 18.795 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -19.551 5.022 17.879 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -19.338 6.146 16.552 1.00 1.00 H new ATOM 0 HE ARG P 15 -17.386 4.974 15.858 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -18.663 3.850 18.937 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -17.639 2.411 18.977 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -16.076 3.133 15.933 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -16.187 2.009 17.291 1.00 1.00 H new ATOM 266 N ALA P 16 -15.891 10.339 16.892 1.00 1.00 N ATOM 267 CA ALA P 16 -14.840 11.110 16.256 1.00 1.00 C ATOM 268 C ALA P 16 -13.992 11.704 17.363 1.00 1.00 C ATOM 269 O ALA P 16 -12.801 11.991 17.206 1.00 1.00 O ATOM 270 CB ALA P 16 -15.416 12.214 15.363 1.00 1.00 C ATOM 0 H ALA P 16 -16.841 10.575 16.605 1.00 1.00 H new ATOM 0 HA ALA P 16 -14.242 10.468 15.609 1.00 1.00 H new ATOM 0 HB1 ALA P 16 -14.601 12.772 14.902 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -16.035 11.767 14.585 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -16.023 12.890 15.966 1.00 1.00 H new ATOM 276 N SER P 17 -14.661 11.859 18.497 1.00 1.00 N ATOM 277 CA SER P 17 -14.034 12.395 19.690 1.00 1.00 C ATOM 278 C SER P 17 -13.361 11.256 20.464 1.00 1.00 C ATOM 279 O SER P 17 -12.134 11.213 20.566 1.00 1.00 O ATOM 280 CB SER P 17 -15.079 13.106 20.575 1.00 1.00 C ATOM 281 OG SER P 17 -16.125 13.600 19.747 1.00 1.00 O ATOM 0 H SER P 17 -15.645 11.618 18.613 1.00 1.00 H new ATOM 0 HA SER P 17 -13.280 13.128 19.402 1.00 1.00 H new ATOM 0 HB2 SER P 17 -15.480 12.414 21.315 1.00 1.00 H new ATOM 0 HB3 SER P 17 -14.614 13.925 21.123 1.00 1.00 H new ATOM 0 HG SER P 17 -16.735 12.868 19.518 1.00 1.00 H new ATOM 287 N THR P 18 -14.172 10.341 21.031 1.00 1.00 N ATOM 288 CA THR P 18 -13.656 9.209 21.826 1.00 1.00 C ATOM 289 C THR P 18 -13.964 7.833 21.217 1.00 1.00 C ATOM 290 O THR P 18 -14.292 6.893 21.945 1.00 1.00 O ATOM 291 CB THR P 18 -14.264 9.269 23.232 1.00 1.00 C ATOM 292 OG1 THR P 18 -13.919 8.087 23.948 1.00 1.00 O ATOM 293 CG2 THR P 18 -15.787 9.385 23.131 1.00 1.00 C ATOM 0 H THR P 18 -15.189 10.364 20.953 1.00 1.00 H new ATOM 0 HA THR P 18 -12.571 9.312 21.846 1.00 1.00 H new ATOM 0 HB THR P 18 -13.873 10.139 23.759 1.00 1.00 H new ATOM 0 HG1 THR P 18 -14.413 7.325 23.579 1.00 1.00 H new ATOM 0 HG21 THR P 18 -16.216 9.427 24.132 1.00 1.00 H new ATOM 0 HG22 THR P 18 -16.047 10.292 22.586 1.00 1.00 H new ATOM 0 HG23 THR P 18 -16.184 8.518 22.603 1.00 1.00 H new ATOM 301 N ILE P 19 -13.848 7.726 19.893 1.00 1.00 N ATOM 302 CA ILE P 19 -14.107 6.446 19.196 1.00 1.00 C ATOM 303 C ILE P 19 -13.525 5.290 20.017 1.00 1.00 C ATOM 304 O ILE P 19 -13.951 4.144 19.893 1.00 1.00 O ATOM 305 CB ILE P 19 -13.479 6.455 17.795 1.00 1.00 C ATOM 306 CG1 ILE P 19 -13.534 5.047 17.172 1.00 1.00 C ATOM 307 CG2 ILE P 19 -12.034 6.905 17.892 1.00 1.00 C ATOM 308 CD1 ILE P 19 -13.213 5.135 15.678 1.00 1.00 C ATOM 0 H ILE P 19 -13.580 8.495 19.279 1.00 1.00 H new ATOM 0 HA ILE P 19 -15.184 6.316 19.091 1.00 1.00 H new ATOM 0 HB ILE P 19 -14.040 7.143 17.163 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -12.821 4.390 17.670 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -14.523 4.612 17.317 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -11.587 6.912 16.898 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -11.993 7.909 18.315 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -11.481 6.218 18.533 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -13.252 4.138 15.238 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -13.943 5.778 15.186 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -12.215 5.552 15.544 1.00 1.00 H new ATOM 320 N GLU P 20 -12.554 5.623 20.860 1.00 1.00 N ATOM 321 CA GLU P 20 -11.909 4.648 21.717 1.00 1.00 C ATOM 322 C GLU P 20 -12.924 4.125 22.724 1.00 1.00 C ATOM 323 O GLU P 20 -13.496 4.891 23.501 1.00 1.00 O ATOM 324 CB GLU P 20 -10.712 5.320 22.434 1.00 1.00 C ATOM 325 CG GLU P 20 -10.324 4.576 23.731 1.00 1.00 C ATOM 326 CD GLU P 20 -11.244 4.975 24.890 1.00 1.00 C ATOM 327 OE1 GLU P 20 -11.731 6.093 24.883 1.00 1.00 O ATOM 328 OE2 GLU P 20 -11.445 4.155 25.769 1.00 1.00 O ATOM 0 H GLU P 20 -12.197 6.573 20.965 1.00 1.00 H new ATOM 0 HA GLU P 20 -11.536 3.808 21.130 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -9.855 5.347 21.761 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -10.965 6.354 22.670 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -10.384 3.500 23.569 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -9.289 4.803 23.989 1.00 1.00 H new ATOM 335 N MET P 21 -13.144 2.814 22.708 1.00 1.00 N ATOM 336 CA MET P 21 -14.098 2.178 23.630 1.00 1.00 C ATOM 337 C MET P 21 -13.370 1.539 24.836 1.00 1.00 C ATOM 338 O MET P 21 -13.500 2.031 25.956 1.00 1.00 O ATOM 339 CB MET P 21 -14.923 1.125 22.851 1.00 1.00 C ATOM 340 CG MET P 21 -16.229 1.741 22.303 1.00 1.00 C ATOM 341 SD MET P 21 -16.768 0.838 20.832 1.00 1.00 S ATOM 342 CE MET P 21 -16.736 -0.816 21.557 1.00 1.00 C ATOM 0 H MET P 21 -12.679 2.167 22.071 1.00 1.00 H new ATOM 0 HA MET P 21 -14.770 2.936 24.032 1.00 1.00 H new ATOM 0 HB2 MET P 21 -14.329 0.730 22.027 1.00 1.00 H new ATOM 0 HB3 MET P 21 -15.159 0.286 23.505 1.00 1.00 H new ATOM 0 HG2 MET P 21 -17.006 1.706 23.067 1.00 1.00 H new ATOM 0 HG3 MET P 21 -16.071 2.791 22.058 1.00 1.00 H new ATOM 0 HE1 MET P 21 -17.412 -1.469 21.004 1.00 1.00 H new ATOM 0 HE2 MET P 21 -15.723 -1.216 21.506 1.00 1.00 H new ATOM 0 HE3 MET P 21 -17.053 -0.763 22.598 1.00 1.00 H new ATOM 352 N PRO P 22 -12.621 0.469 24.653 1.00 1.00 N ATOM 353 CA PRO P 22 -11.898 -0.193 25.792 1.00 1.00 C ATOM 354 C PRO P 22 -10.833 0.716 26.405 1.00 1.00 C ATOM 355 O PRO P 22 -11.089 1.410 27.392 1.00 1.00 O ATOM 356 CB PRO P 22 -11.274 -1.448 25.151 1.00 1.00 C ATOM 357 CG PRO P 22 -11.141 -1.100 23.706 1.00 1.00 C ATOM 358 CD PRO P 22 -12.360 -0.239 23.386 1.00 1.00 C ATOM 0 HA PRO P 22 -12.564 -0.430 26.622 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -10.306 -1.681 25.594 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -11.908 -2.323 25.292 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -10.215 -0.557 23.516 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -11.119 -1.996 23.086 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -12.158 0.456 22.571 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -13.212 -0.847 23.082 1.00 1.00 H new ATOM 366 N GLN P 23 -9.638 0.700 25.814 1.00 1.00 N ATOM 367 CA GLN P 23 -8.527 1.525 26.314 1.00 1.00 C ATOM 368 C GLN P 23 -7.503 1.827 25.213 1.00 1.00 C ATOM 369 O GLN P 23 -7.531 2.895 24.604 1.00 1.00 O ATOM 370 CB GLN P 23 -7.800 0.807 27.461 1.00 1.00 C ATOM 371 CG GLN P 23 -8.671 0.772 28.712 1.00 1.00 C ATOM 372 CD GLN P 23 -7.861 0.251 29.899 1.00 1.00 C ATOM 373 OE1 GLN P 23 -7.410 -0.896 29.890 1.00 1.00 O ATOM 374 NE2 GLN P 23 -7.649 1.031 30.925 1.00 1.00 N ATOM 0 H GLN P 23 -9.411 0.133 24.997 1.00 1.00 H new ATOM 0 HA GLN P 23 -8.962 2.461 26.664 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -7.548 -0.209 27.159 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -6.862 1.317 27.679 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -9.049 1.771 28.930 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -9.538 0.133 28.544 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -8.023 1.980 30.930 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -7.109 0.691 31.721 1.00 1.00 H new ATOM 383 N GLN P 24 -6.594 0.876 24.965 1.00 1.00 N ATOM 384 CA GLN P 24 -5.568 1.054 23.943 1.00 1.00 C ATOM 385 C GLN P 24 -6.192 1.038 22.558 1.00 1.00 C ATOM 386 O GLN P 24 -5.497 1.012 21.548 1.00 1.00 O ATOM 387 CB GLN P 24 -4.525 -0.064 24.054 1.00 1.00 C ATOM 388 CG GLN P 24 -3.757 0.082 25.368 1.00 1.00 C ATOM 389 CD GLN P 24 -2.763 -1.067 25.524 1.00 1.00 C ATOM 390 OE1 GLN P 24 -2.640 -1.905 24.630 1.00 1.00 O ATOM 391 NE2 GLN P 24 -2.045 -1.154 26.612 1.00 1.00 N ATOM 0 H GLN P 24 -6.552 -0.017 25.457 1.00 1.00 H new ATOM 0 HA GLN P 24 -5.083 2.018 24.098 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -5.014 -1.037 24.013 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -3.836 -0.018 23.211 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -3.229 1.035 25.386 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -4.453 0.088 26.207 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -2.150 -0.457 27.350 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -1.379 -1.918 26.724 1.00 1.00 H new ATOM 400 N ALA P 25 -7.514 1.056 22.518 1.00 1.00 N ATOM 401 CA ALA P 25 -8.210 1.041 21.242 1.00 1.00 C ATOM 402 C ALA P 25 -7.657 2.165 20.365 1.00 1.00 C ATOM 403 O ALA P 25 -7.775 2.135 19.146 1.00 1.00 O ATOM 404 CB ALA P 25 -9.736 1.184 21.454 1.00 1.00 C ATOM 0 H ALA P 25 -8.118 1.081 23.339 1.00 1.00 H new ATOM 0 HA ALA P 25 -8.044 0.088 20.740 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -10.240 1.171 20.488 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -10.098 0.356 22.064 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -9.946 2.126 21.960 1.00 1.00 H new ATOM 410 N ARG P 26 -7.052 3.156 20.997 1.00 1.00 N ATOM 411 CA ARG P 26 -6.495 4.264 20.248 1.00 1.00 C ATOM 412 C ARG P 26 -5.370 3.775 19.337 1.00 1.00 C ATOM 413 O ARG P 26 -5.369 4.037 18.133 1.00 1.00 O ATOM 414 CB ARG P 26 -5.927 5.323 21.201 1.00 1.00 C ATOM 415 CG ARG P 26 -7.065 6.045 21.910 1.00 1.00 C ATOM 416 CD ARG P 26 -6.493 7.071 22.877 1.00 1.00 C ATOM 417 NE ARG P 26 -7.572 7.774 23.559 1.00 1.00 N ATOM 418 CZ ARG P 26 -7.316 8.703 24.475 1.00 1.00 C ATOM 419 NH1 ARG P 26 -6.081 9.011 24.769 1.00 1.00 N ATOM 420 NH2 ARG P 26 -8.303 9.306 25.076 1.00 1.00 N ATOM 0 H ARG P 26 -6.936 3.215 22.009 1.00 1.00 H new ATOM 0 HA ARG P 26 -7.294 4.700 19.648 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -5.271 4.852 21.933 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -5.321 6.038 20.645 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -7.708 6.537 21.180 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -7.685 5.328 22.449 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -5.853 6.576 23.607 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -5.869 7.783 22.337 1.00 1.00 H new ATOM 0 HE ARG P 26 -8.540 7.550 23.330 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -5.311 8.538 24.295 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -5.887 9.724 25.472 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -9.266 9.064 24.843 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -8.112 10.019 25.780 1.00 1.00 H new ATOM 434 N GLN P 27 -4.409 3.057 19.920 1.00 1.00 N ATOM 435 CA GLN P 27 -3.269 2.532 19.166 1.00 1.00 C ATOM 436 C GLN P 27 -3.524 1.140 18.603 1.00 1.00 C ATOM 437 O GLN P 27 -3.031 0.823 17.532 1.00 1.00 O ATOM 438 CB GLN P 27 -2.038 2.486 20.074 1.00 1.00 C ATOM 439 CG GLN P 27 -1.614 3.911 20.441 1.00 1.00 C ATOM 440 CD GLN P 27 -0.436 3.872 21.409 1.00 1.00 C ATOM 441 OE1 GLN P 27 -0.558 3.353 22.516 1.00 1.00 O ATOM 442 NE2 GLN P 27 0.706 4.391 21.050 1.00 1.00 N ATOM 0 H GLN P 27 -4.397 2.825 20.913 1.00 1.00 H new ATOM 0 HA GLN P 27 -3.107 3.202 18.321 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -2.262 1.919 20.977 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -1.220 1.972 19.569 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -1.338 4.460 19.541 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -2.450 4.443 20.895 1.00 1.00 H new ATOM 0 HE21 GLN P 27 0.804 4.821 20.130 1.00 1.00 H new ATOM 0 HE22 GLN P 27 1.501 4.367 21.689 1.00 1.00 H new ATOM 451 N ASN P 28 -4.283 0.309 19.308 1.00 1.00 N ATOM 452 CA ASN P 28 -4.548 -1.037 18.808 1.00 2.18 C ATOM 453 C ASN P 28 -5.308 -0.981 17.488 1.00 1.00 C ATOM 454 O ASN P 28 -4.932 -1.630 16.513 1.00 1.00 O ATOM 455 CB ASN P 28 -5.361 -1.823 19.840 1.00 1.00 C ATOM 456 CG ASN P 28 -4.472 -2.261 20.999 1.00 1.00 C ATOM 457 OD1 ASN P 28 -3.249 -2.277 20.873 1.00 1.00 O ATOM 458 ND2 ASN P 28 -5.019 -2.619 22.124 1.00 1.00 N ATOM 0 H ASN P 28 -4.716 0.533 20.204 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.595 -1.537 18.639 1.00 2.18 H new ATOM 0 HB2 ASN P 28 -6.178 -1.206 20.214 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.811 -2.697 19.368 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -4.433 -2.914 22.905 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -6.034 -2.604 22.225 1.00 1.00 H new ATOM 465 N LEU P 29 -6.377 -0.204 17.454 1.00 1.00 N ATOM 466 CA LEU P 29 -7.172 -0.082 16.239 1.00 2.22 C ATOM 467 C LEU P 29 -6.394 0.670 15.203 1.00 1.00 C ATOM 468 O LEU P 29 -6.418 0.329 14.018 1.00 1.00 O ATOM 469 CB LEU P 29 -8.474 0.670 16.500 1.00 1.00 C ATOM 470 CG LEU P 29 -9.183 0.050 17.686 1.00 1.00 C ATOM 471 CD1 LEU P 29 -10.405 0.899 18.039 1.00 1.00 C ATOM 472 CD2 LEU P 29 -9.630 -1.387 17.355 1.00 1.00 C ATOM 0 H LEU P 29 -6.714 0.347 18.243 1.00 1.00 H new ATOM 0 HA LEU P 29 -7.406 -1.089 15.893 1.00 2.22 H new ATOM 0 HB2 LEU P 29 -8.266 1.722 16.695 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -9.113 0.630 15.618 1.00 1.00 H new ATOM 0 HG LEU P 29 -8.498 0.015 18.533 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -10.920 0.458 18.892 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -10.085 1.910 18.291 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -11.082 0.935 17.185 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -10.138 -1.818 18.218 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -10.311 -1.369 16.504 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -8.757 -1.992 17.108 1.00 1.00 H new ATOM 484 N GLN P 30 -5.691 1.704 15.643 1.00 1.00 N ATOM 485 CA GLN P 30 -4.902 2.488 14.705 1.00 2.84 C ATOM 486 C GLN P 30 -3.666 1.733 14.244 1.00 1.00 C ATOM 487 O GLN P 30 -3.195 1.940 13.130 1.00 1.00 O ATOM 488 CB GLN P 30 -4.479 3.818 15.322 1.00 1.00 C ATOM 489 CG GLN P 30 -5.708 4.705 15.497 1.00 1.00 C ATOM 490 CD GLN P 30 -5.328 5.984 16.236 1.00 1.00 C ATOM 491 OE1 GLN P 30 -4.455 5.969 17.102 1.00 1.00 O ATOM 492 NE2 GLN P 30 -5.936 7.099 15.943 1.00 1.00 N ATOM 0 H GLN P 30 -5.650 2.013 16.614 1.00 1.00 H new ATOM 0 HA GLN P 30 -5.538 2.678 13.840 1.00 2.84 H new ATOM 0 HB2 GLN P 30 -3.998 3.649 16.285 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -3.747 4.312 14.683 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -6.131 4.950 14.523 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -6.477 4.169 16.053 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -6.660 7.112 15.225 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -5.688 7.959 16.432 1.00 1.00 H new ATOM 501 N ASN P 31 -3.130 0.862 15.089 1.00 1.00 N ATOM 502 CA ASN P 31 -1.940 0.108 14.707 1.00 2.39 C ATOM 503 C ASN P 31 -2.235 -0.765 13.492 1.00 1.00 C ATOM 504 O ASN P 31 -1.453 -0.808 12.545 1.00 1.00 O ATOM 505 CB ASN P 31 -1.449 -0.756 15.883 1.00 1.00 C ATOM 506 CG ASN P 31 -0.625 0.079 16.866 1.00 1.00 C ATOM 507 OD1 ASN P 31 -0.750 -0.087 18.080 1.00 1.00 O ATOM 508 ND2 ASN P 31 0.215 0.970 16.408 1.00 1.00 N ATOM 0 H ASN P 31 -3.489 0.662 16.023 1.00 1.00 H new ATOM 0 HA ASN P 31 -1.151 0.813 14.445 1.00 2.39 H new ATOM 0 HB2 ASN P 31 -2.303 -1.195 16.399 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -0.846 -1.582 15.506 1.00 1.00 H new ATOM 0 HD21 ASN P 31 0.769 1.530 17.057 1.00 1.00 H new ATOM 0 HD22 ASN P 31 0.317 1.105 15.402 1.00 1.00 H new ATOM 515 N LEU P 32 -3.360 -1.454 13.518 1.00 1.00 N ATOM 516 CA LEU P 32 -3.729 -2.309 12.408 1.00 2.36 C ATOM 517 C LEU P 32 -3.991 -1.459 11.170 1.00 1.00 C ATOM 518 O LEU P 32 -3.506 -1.766 10.098 1.00 1.00 O ATOM 519 CB LEU P 32 -4.974 -3.146 12.776 1.00 1.00 C ATOM 520 CG LEU P 32 -4.582 -4.425 13.554 1.00 1.00 C ATOM 521 CD1 LEU P 32 -3.974 -5.484 12.614 1.00 1.00 C ATOM 522 CD2 LEU P 32 -3.569 -4.092 14.664 1.00 1.00 C ATOM 0 H LEU P 32 -4.028 -1.439 14.288 1.00 1.00 H new ATOM 0 HA LEU P 32 -2.910 -2.995 12.190 1.00 2.36 H new ATOM 0 HB2 LEU P 32 -5.654 -2.545 13.380 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.512 -3.420 11.868 1.00 1.00 H new ATOM 0 HG LEU P 32 -5.491 -4.829 13.999 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -3.708 -6.371 13.189 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -4.702 -5.752 11.849 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -3.081 -5.079 12.139 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -3.305 -5.003 15.201 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -2.672 -3.659 14.220 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -4.012 -3.378 15.358 1.00 1.00 H new ATOM 534 N PHE P 33 -4.753 -0.389 11.333 1.00 1.00 N ATOM 535 CA PHE P 33 -5.056 0.489 10.207 1.00 2.69 C ATOM 536 C PHE P 33 -3.776 1.119 9.665 1.00 1.00 C ATOM 537 O PHE P 33 -3.492 1.059 8.468 1.00 1.00 O ATOM 538 CB PHE P 33 -6.022 1.592 10.653 1.00 1.00 C ATOM 539 CG PHE P 33 -6.272 2.538 9.504 1.00 1.00 C ATOM 540 CD1 PHE P 33 -7.040 2.114 8.416 1.00 1.00 C ATOM 541 CD2 PHE P 33 -5.737 3.836 9.525 1.00 1.00 C ATOM 542 CE1 PHE P 33 -7.274 2.984 7.347 1.00 1.00 C ATOM 543 CE2 PHE P 33 -5.971 4.703 8.457 1.00 1.00 C ATOM 544 CZ PHE P 33 -6.739 4.279 7.368 1.00 1.00 C ATOM 0 H PHE P 33 -5.170 -0.107 12.220 1.00 1.00 H new ATOM 0 HA PHE P 33 -5.520 -0.103 9.418 1.00 2.69 H new ATOM 0 HB2 PHE P 33 -6.962 1.153 10.988 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -5.604 2.135 11.501 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -7.452 1.116 8.401 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -5.145 4.163 10.367 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -7.867 2.658 6.505 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -5.559 5.701 8.471 1.00 1.00 H new ATOM 0 HZ PHE P 33 -6.920 4.951 6.542 1.00 1.00 H new ATOM 554 N ILE P 34 -3.006 1.721 10.564 1.00 1.00 N ATOM 555 CA ILE P 34 -1.759 2.358 10.169 1.00 2.61 C ATOM 556 C ILE P 34 -0.785 1.313 9.639 1.00 1.00 C ATOM 557 O ILE P 34 -0.179 1.511 8.596 1.00 1.00 O ATOM 558 CB ILE P 34 -1.141 3.118 11.354 1.00 1.00 C ATOM 559 CG1 ILE P 34 -2.022 4.335 11.736 1.00 1.00 C ATOM 560 CG2 ILE P 34 0.279 3.589 11.015 1.00 1.00 C ATOM 561 CD1 ILE P 34 -2.154 5.336 10.577 1.00 1.00 C ATOM 0 H ILE P 34 -3.221 1.781 11.559 1.00 1.00 H new ATOM 0 HA ILE P 34 -1.969 3.076 9.376 1.00 2.61 H new ATOM 0 HB ILE P 34 -1.090 2.437 12.203 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -3.013 3.988 12.030 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -1.591 4.837 12.602 1.00 1.00 H new ATOM 0 HG21 ILE P 34 0.698 4.124 11.867 1.00 1.00 H new ATOM 0 HG22 ILE P 34 0.904 2.726 10.786 1.00 1.00 H new ATOM 0 HG23 ILE P 34 0.246 4.252 10.151 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -2.779 6.173 10.888 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -1.166 5.704 10.300 1.00 1.00 H new ATOM 0 HD13 ILE P 34 -2.610 4.842 9.719 1.00 1.00 H new ATOM 573 N ASN P 35 -0.637 0.203 10.350 1.00 1.00 N ATOM 574 CA ASN P 35 0.275 -0.841 9.903 1.00 2.38 C ATOM 575 C ASN P 35 -0.223 -1.389 8.585 1.00 1.00 C ATOM 576 O ASN P 35 0.545 -1.615 7.647 1.00 1.00 O ATOM 577 CB ASN P 35 0.363 -1.970 10.939 1.00 1.00 C ATOM 578 CG ASN P 35 1.361 -3.024 10.469 1.00 1.00 C ATOM 579 OD1 ASN P 35 1.650 -3.121 9.275 1.00 1.00 O ATOM 580 ND2 ASN P 35 1.909 -3.826 11.339 1.00 1.00 N ATOM 0 H ASN P 35 -1.126 0.004 11.222 1.00 1.00 H new ATOM 0 HA ASN P 35 1.272 -0.418 9.781 1.00 2.38 H new ATOM 0 HB2 ASN P 35 0.672 -1.568 11.904 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.618 -2.423 11.082 1.00 1.00 H new ATOM 0 HD21 ASN P 35 2.576 -4.533 11.031 1.00 1.00 H new ATOM 0 HD22 ASN P 35 1.670 -3.746 12.327 1.00 1.00 H new ATOM 587 N PHE P 36 -1.526 -1.593 8.529 1.00 1.00 N ATOM 588 CA PHE P 36 -2.148 -2.113 7.328 1.00 2.32 C ATOM 589 C PHE P 36 -1.918 -1.170 6.150 1.00 1.00 C ATOM 590 O PHE P 36 -1.917 -1.601 4.992 1.00 1.00 O ATOM 591 CB PHE P 36 -3.657 -2.340 7.528 1.00 1.00 C ATOM 592 CG PHE P 36 -4.292 -2.768 6.221 1.00 1.00 C ATOM 593 CD1 PHE P 36 -4.143 -4.085 5.770 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.027 -1.849 5.461 1.00 1.00 C ATOM 595 CE1 PHE P 36 -4.726 -4.482 4.563 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.612 -2.246 4.252 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.460 -3.564 3.804 1.00 1.00 C ATOM 0 H PHE P 36 -2.171 -1.407 9.297 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.683 -3.075 7.111 1.00 2.32 H new ATOM 0 HB2 PHE P 36 -3.821 -3.103 8.289 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -4.127 -1.425 7.888 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -3.577 -4.795 6.355 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.143 -0.833 5.808 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -4.610 -5.498 4.216 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.179 -1.537 3.667 1.00 1.00 H new ATOM 0 HZ PHE P 36 -5.910 -3.872 2.872 1.00 1.00 H new ATOM 607 N ALA P 37 -1.708 0.113 6.435 1.00 1.00 N ATOM 608 CA ALA P 37 -1.469 1.088 5.379 1.00 1.81 C ATOM 609 C ALA P 37 -0.048 0.954 4.821 1.00 1.00 C ATOM 610 O ALA P 37 0.163 1.076 3.625 1.00 1.00 O ATOM 611 CB ALA P 37 -1.674 2.504 5.916 1.00 1.00 C ATOM 0 H ALA P 37 -1.699 0.497 7.380 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.179 0.896 4.575 1.00 1.81 H new ATOM 0 HB1 ALA P 37 -1.493 3.225 5.119 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -2.697 2.612 6.277 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -0.979 2.687 6.735 1.00 1.00 H new ATOM 617 N LEU P 38 0.920 0.698 5.702 1.00 1.00 N ATOM 618 CA LEU P 38 2.308 0.548 5.276 1.00 2.21 C ATOM 619 C LEU P 38 2.440 -0.644 4.330 1.00 1.00 C ATOM 620 O LEU P 38 3.190 -0.586 3.358 1.00 1.00 O ATOM 621 CB LEU P 38 3.243 0.357 6.491 1.00 1.00 C ATOM 622 CG LEU P 38 3.589 1.709 7.144 1.00 1.00 C ATOM 623 CD1 LEU P 38 2.402 2.221 7.957 1.00 1.00 C ATOM 624 CD2 LEU P 38 4.788 1.529 8.080 1.00 1.00 C ATOM 0 H LEU P 38 0.769 0.591 6.705 1.00 1.00 H new ATOM 0 HA LEU P 38 2.603 1.459 4.754 1.00 2.21 H new ATOM 0 HB2 LEU P 38 2.764 -0.292 7.224 1.00 1.00 H new ATOM 0 HB3 LEU P 38 4.159 -0.142 6.174 1.00 1.00 H new ATOM 0 HG LEU P 38 3.828 2.428 6.360 1.00 1.00 H new ATOM 0 HD11 LEU P 38 2.659 3.177 8.413 1.00 1.00 H new ATOM 0 HD12 LEU P 38 1.541 2.352 7.301 1.00 1.00 H new ATOM 0 HD13 LEU P 38 2.158 1.500 8.737 1.00 1.00 H new ATOM 0 HD21 LEU P 38 5.035 2.484 8.543 1.00 1.00 H new ATOM 0 HD22 LEU P 38 4.539 0.804 8.855 1.00 1.00 H new ATOM 0 HD23 LEU P 38 5.645 1.171 7.509 1.00 1.00 H new ATOM 636 N ILE P 39 1.712 -1.716 4.611 1.00 1.00 N ATOM 637 CA ILE P 39 1.777 -2.889 3.748 1.00 2.93 C ATOM 638 C ILE P 39 1.222 -2.527 2.370 1.00 1.00 C ATOM 639 O ILE P 39 1.797 -2.870 1.337 1.00 1.00 O ATOM 640 CB ILE P 39 0.962 -4.032 4.359 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.636 -4.498 5.651 1.00 1.00 C ATOM 642 CG2 ILE P 39 0.889 -5.201 3.372 1.00 1.00 C ATOM 643 CD1 ILE P 39 0.681 -5.411 6.420 1.00 1.00 C ATOM 0 H ILE P 39 1.083 -1.799 5.410 1.00 1.00 H new ATOM 0 HA ILE P 39 2.813 -3.214 3.649 1.00 2.93 H new ATOM 0 HB ILE P 39 -0.047 -3.682 4.576 1.00 1.00 H new ATOM 0 HG12 ILE P 39 2.559 -5.030 5.421 1.00 1.00 H new ATOM 0 HG13 ILE P 39 1.907 -3.638 6.264 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.308 -6.012 3.811 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.411 -4.870 2.450 1.00 1.00 H new ATOM 0 HG23 ILE P 39 1.896 -5.554 3.151 1.00 1.00 H new ATOM 0 HD11 ILE P 39 1.159 -5.744 7.341 1.00 1.00 H new ATOM 0 HD12 ILE P 39 -0.230 -4.864 6.662 1.00 1.00 H new ATOM 0 HD13 ILE P 39 0.432 -6.277 5.806 1.00 1.00 H new ATOM 655 N LEU P 40 0.093 -1.822 2.382 1.00 1.00 N ATOM 656 CA LEU P 40 -0.550 -1.396 1.140 1.00 2.58 C ATOM 657 C LEU P 40 0.326 -0.367 0.416 1.00 1.00 C ATOM 658 O LEU P 40 0.586 -0.483 -0.781 1.00 1.00 O ATOM 659 CB LEU P 40 -1.930 -0.795 1.455 1.00 1.00 C ATOM 660 CG LEU P 40 -2.612 -0.273 0.181 1.00 1.00 C ATOM 661 CD1 LEU P 40 -2.718 -1.391 -0.870 1.00 1.00 C ATOM 662 CD2 LEU P 40 -4.019 0.230 0.546 1.00 1.00 C ATOM 0 H LEU P 40 -0.393 -1.535 3.231 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.678 -2.260 0.488 1.00 2.58 H new ATOM 0 HB2 LEU P 40 -2.560 -1.550 1.925 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -1.820 0.019 2.172 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.019 0.539 -0.240 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -3.204 -1.004 -1.766 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -1.720 -1.748 -1.124 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -3.306 -2.215 -0.466 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -4.515 0.604 -0.349 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -4.600 -0.590 0.968 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -3.940 1.033 1.279 1.00 1.00 H new ATOM 674 N ILE P 41 0.770 0.639 1.162 1.00 1.00 N ATOM 675 CA ILE P 41 1.608 1.685 0.610 1.00 1.88 C ATOM 676 C ILE P 41 2.934 1.118 0.100 1.00 1.00 C ATOM 677 O ILE P 41 3.352 1.426 -1.013 1.00 1.00 O ATOM 678 CB ILE P 41 1.845 2.740 1.688 1.00 1.00 C ATOM 679 CG1 ILE P 41 0.536 3.486 1.963 1.00 1.00 C ATOM 680 CG2 ILE P 41 2.906 3.736 1.229 1.00 1.00 C ATOM 681 CD1 ILE P 41 0.671 4.299 3.253 1.00 1.00 C ATOM 0 H ILE P 41 0.560 0.748 2.154 1.00 1.00 H new ATOM 0 HA ILE P 41 1.105 2.140 -0.244 1.00 1.88 H new ATOM 0 HB ILE P 41 2.191 2.247 2.597 1.00 1.00 H new ATOM 0 HG12 ILE P 41 0.299 4.146 1.128 1.00 1.00 H new ATOM 0 HG13 ILE P 41 -0.287 2.777 2.052 1.00 1.00 H new ATOM 0 HG21 ILE P 41 3.065 4.483 2.007 1.00 1.00 H new ATOM 0 HG22 ILE P 41 3.840 3.209 1.035 1.00 1.00 H new ATOM 0 HG23 ILE P 41 2.572 4.229 0.316 1.00 1.00 H new ATOM 0 HD11 ILE P 41 -0.261 4.830 3.448 1.00 1.00 H new ATOM 0 HD12 ILE P 41 0.888 3.629 4.085 1.00 1.00 H new ATOM 0 HD13 ILE P 41 1.483 5.019 3.146 1.00 1.00 H new ATOM 693 N PHE P 42 3.595 0.299 0.907 1.00 1.00 N ATOM 694 CA PHE P 42 4.870 -0.275 0.489 1.00 2.41 C ATOM 695 C PHE P 42 4.708 -1.033 -0.824 1.00 1.00 C ATOM 696 O PHE P 42 5.507 -0.877 -1.742 1.00 1.00 O ATOM 697 CB PHE P 42 5.405 -1.216 1.567 1.00 1.00 C ATOM 698 CG PHE P 42 6.728 -1.797 1.125 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.884 -1.015 1.195 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.798 -3.113 0.646 1.00 1.00 C ATOM 701 CE1 PHE P 42 9.113 -1.542 0.789 1.00 1.00 C ATOM 702 CE2 PHE P 42 8.028 -3.642 0.239 1.00 1.00 C ATOM 703 CZ PHE P 42 9.187 -2.856 0.310 1.00 1.00 C ATOM 0 H PHE P 42 3.280 0.020 1.836 1.00 1.00 H new ATOM 0 HA PHE P 42 5.581 0.538 0.341 1.00 2.41 H new ATOM 0 HB2 PHE P 42 5.529 -0.676 2.506 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.689 -2.017 1.752 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.828 -0.001 1.564 1.00 1.00 H new ATOM 0 HD2 PHE P 42 5.904 -3.717 0.591 1.00 1.00 H new ATOM 0 HE1 PHE P 42 10.005 -0.936 0.845 1.00 1.00 H new ATOM 0 HE2 PHE P 42 8.085 -4.656 -0.130 1.00 1.00 H new ATOM 0 HZ PHE P 42 10.136 -3.264 -0.005 1.00 1.00 H new ATOM 713 N LEU P 43 3.668 -1.851 -0.902 1.00 1.00 N ATOM 714 CA LEU P 43 3.404 -2.632 -2.105 1.00 2.52 C ATOM 715 C LEU P 43 3.088 -1.713 -3.280 1.00 1.00 C ATOM 716 O LEU P 43 3.522 -1.957 -4.408 1.00 1.00 O ATOM 717 CB LEU P 43 2.232 -3.591 -1.866 1.00 1.00 C ATOM 718 CG LEU P 43 2.636 -4.705 -0.885 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.379 -5.451 -0.422 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.610 -5.701 -1.562 1.00 1.00 C ATOM 0 H LEU P 43 2.994 -1.992 -0.149 1.00 1.00 H new ATOM 0 HA LEU P 43 4.297 -3.211 -2.342 1.00 2.52 H new ATOM 0 HB2 LEU P 43 1.380 -3.040 -1.468 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.915 -4.029 -2.812 1.00 1.00 H new ATOM 0 HG LEU P 43 3.139 -4.256 -0.029 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.661 -6.242 0.274 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.704 -4.754 0.075 1.00 1.00 H new ATOM 0 HD13 LEU P 43 0.877 -5.889 -1.285 1.00 1.00 H new ATOM 0 HD21 LEU P 43 3.884 -6.481 -0.852 1.00 1.00 H new ATOM 0 HD22 LEU P 43 3.125 -6.152 -2.428 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.507 -5.171 -1.883 1.00 1.00 H new ATOM 732 N LEU P 44 2.333 -0.653 -3.011 1.00 1.00 N ATOM 733 CA LEU P 44 1.970 0.299 -4.052 1.00 2.20 C ATOM 734 C LEU P 44 3.215 1.008 -4.574 1.00 1.00 C ATOM 735 O LEU P 44 3.338 1.261 -5.771 1.00 1.00 O ATOM 736 CB LEU P 44 0.975 1.338 -3.506 1.00 1.00 C ATOM 737 CG LEU P 44 -0.444 0.746 -3.422 1.00 1.00 C ATOM 738 CD1 LEU P 44 -1.343 1.713 -2.636 1.00 1.00 C ATOM 739 CD2 LEU P 44 -1.033 0.527 -4.844 1.00 1.00 C ATOM 0 H LEU P 44 1.963 -0.433 -2.086 1.00 1.00 H new ATOM 0 HA LEU P 44 1.499 -0.248 -4.869 1.00 2.20 H new ATOM 0 HB2 LEU P 44 1.294 1.670 -2.518 1.00 1.00 H new ATOM 0 HB3 LEU P 44 0.970 2.217 -4.151 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.397 -0.218 -2.916 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.350 1.302 -2.571 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -0.941 1.849 -1.632 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -1.376 2.675 -3.147 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -2.036 0.108 -4.762 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -1.080 1.481 -5.369 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.396 -0.162 -5.399 1.00 1.00 H new ATOM 751 N LEU P 45 4.134 1.334 -3.669 1.00 1.00 N ATOM 752 CA LEU P 45 5.361 2.021 -4.060 1.00 2.37 C ATOM 753 C LEU P 45 6.204 1.166 -4.994 1.00 1.00 C ATOM 754 O LEU P 45 6.761 1.668 -5.964 1.00 1.00 O ATOM 755 CB LEU P 45 6.179 2.394 -2.822 1.00 1.00 C ATOM 756 CG LEU P 45 5.495 3.529 -2.040 1.00 1.00 C ATOM 757 CD1 LEU P 45 6.168 3.656 -0.674 1.00 1.00 C ATOM 758 CD2 LEU P 45 5.618 4.873 -2.801 1.00 1.00 C ATOM 0 H LEU P 45 4.054 1.136 -2.671 1.00 1.00 H new ATOM 0 HA LEU P 45 5.076 2.928 -4.592 1.00 2.37 H new ATOM 0 HB2 LEU P 45 6.294 1.521 -2.180 1.00 1.00 H new ATOM 0 HB3 LEU P 45 7.180 2.704 -3.121 1.00 1.00 H new ATOM 0 HG LEU P 45 4.437 3.295 -1.924 1.00 1.00 H new ATOM 0 HD11 LEU P 45 5.693 4.457 -0.108 1.00 1.00 H new ATOM 0 HD12 LEU P 45 6.066 2.717 -0.130 1.00 1.00 H new ATOM 0 HD13 LEU P 45 7.225 3.884 -0.809 1.00 1.00 H new ATOM 0 HD21 LEU P 45 5.127 5.661 -2.230 1.00 1.00 H new ATOM 0 HD22 LEU P 45 6.671 5.122 -2.932 1.00 1.00 H new ATOM 0 HD23 LEU P 45 5.142 4.783 -3.778 1.00 1.00 H new ATOM 770 N ILE P 46 6.288 -0.120 -4.711 1.00 1.00 N ATOM 771 CA ILE P 46 7.061 -1.019 -5.545 1.00 2.12 C ATOM 772 C ILE P 46 6.433 -1.051 -6.936 1.00 1.00 C ATOM 773 O ILE P 46 7.128 -1.016 -7.948 1.00 1.00 O ATOM 774 CB ILE P 46 7.043 -2.420 -4.926 1.00 1.00 C ATOM 775 CG1 ILE P 46 7.826 -2.434 -3.590 1.00 1.00 C ATOM 776 CG2 ILE P 46 7.643 -3.431 -5.893 1.00 1.00 C ATOM 777 CD1 ILE P 46 9.287 -1.992 -3.776 1.00 1.00 C ATOM 0 H ILE P 46 5.833 -0.564 -3.913 1.00 1.00 H new ATOM 0 HA ILE P 46 8.094 -0.678 -5.619 1.00 2.12 H new ATOM 0 HB ILE P 46 6.007 -2.694 -4.725 1.00 1.00 H new ATOM 0 HG12 ILE P 46 7.335 -1.774 -2.875 1.00 1.00 H new ATOM 0 HG13 ILE P 46 7.802 -3.438 -3.166 1.00 1.00 H new ATOM 0 HG21 ILE P 46 7.624 -4.423 -5.441 1.00 1.00 H new ATOM 0 HG22 ILE P 46 7.062 -3.442 -6.815 1.00 1.00 H new ATOM 0 HG23 ILE P 46 8.673 -3.154 -6.116 1.00 1.00 H new ATOM 0 HD11 ILE P 46 9.800 -2.016 -2.814 1.00 1.00 H new ATOM 0 HD12 ILE P 46 9.786 -2.668 -4.470 1.00 1.00 H new ATOM 0 HD13 ILE P 46 9.312 -0.978 -4.175 1.00 1.00 H new ATOM 789 N ALA P 47 5.110 -1.118 -6.961 1.00 1.00 N ATOM 790 CA ALA P 47 4.381 -1.152 -8.220 1.00 2.07 C ATOM 791 C ALA P 47 4.738 0.073 -9.066 1.00 1.00 C ATOM 792 O ALA P 47 5.026 -0.043 -10.256 1.00 1.00 O ATOM 793 CB ALA P 47 2.873 -1.178 -7.951 1.00 1.00 C ATOM 0 H ALA P 47 4.522 -1.150 -6.128 1.00 1.00 H new ATOM 0 HA ALA P 47 4.661 -2.053 -8.765 1.00 2.07 H new ATOM 0 HB1 ALA P 47 2.335 -1.203 -8.899 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.623 -2.064 -7.368 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.587 -0.285 -7.395 1.00 1.00 H new ATOM 799 N ILE P 48 4.711 1.248 -8.441 1.00 1.00 N ATOM 800 CA ILE P 48 5.029 2.493 -9.142 1.00 3.09 C ATOM 801 C ILE P 48 6.479 2.495 -9.633 1.00 1.00 C ATOM 802 O ILE P 48 6.757 2.878 -10.769 1.00 1.00 O ATOM 803 CB ILE P 48 4.792 3.685 -8.204 1.00 1.00 C ATOM 804 CG1 ILE P 48 3.293 3.803 -7.913 1.00 1.00 C ATOM 805 CG2 ILE P 48 5.276 4.980 -8.864 1.00 1.00 C ATOM 806 CD1 ILE P 48 3.068 4.777 -6.756 1.00 1.00 C ATOM 0 H ILE P 48 4.474 1.366 -7.456 1.00 1.00 H new ATOM 0 HA ILE P 48 4.378 2.575 -10.012 1.00 3.09 H new ATOM 0 HB ILE P 48 5.345 3.526 -7.278 1.00 1.00 H new ATOM 0 HG12 ILE P 48 2.766 4.151 -8.802 1.00 1.00 H new ATOM 0 HG13 ILE P 48 2.883 2.825 -7.662 1.00 1.00 H new ATOM 0 HG21 ILE P 48 5.103 5.819 -8.190 1.00 1.00 H new ATOM 0 HG22 ILE P 48 6.342 4.902 -9.080 1.00 1.00 H new ATOM 0 HG23 ILE P 48 4.728 5.142 -9.792 1.00 1.00 H new ATOM 0 HD11 ILE P 48 2.000 4.859 -6.552 1.00 1.00 H new ATOM 0 HD12 ILE P 48 3.581 4.410 -5.867 1.00 1.00 H new ATOM 0 HD13 ILE P 48 3.462 5.757 -7.024 1.00 1.00 H new ATOM 818 N ILE P 49 7.395 2.062 -8.777 1.00 1.00 N ATOM 819 CA ILE P 49 8.806 2.019 -9.152 1.00 1.00 C ATOM 820 C ILE P 49 9.009 1.002 -10.268 1.00 1.00 C ATOM 821 O ILE P 49 9.711 1.263 -11.243 1.00 1.00 O ATOM 822 CB ILE P 49 9.669 1.647 -7.941 1.00 1.00 C ATOM 823 CG1 ILE P 49 9.641 2.781 -6.886 1.00 1.00 C ATOM 824 CG2 ILE P 49 11.117 1.368 -8.369 1.00 1.00 C ATOM 825 CD1 ILE P 49 10.164 4.111 -7.456 1.00 1.00 C ATOM 0 H ILE P 49 7.193 1.739 -7.831 1.00 1.00 H new ATOM 0 HA ILE P 49 9.108 3.005 -9.504 1.00 1.00 H new ATOM 0 HB ILE P 49 9.255 0.741 -7.498 1.00 1.00 H new ATOM 0 HG12 ILE P 49 8.621 2.917 -6.526 1.00 1.00 H new ATOM 0 HG13 ILE P 49 10.246 2.492 -6.027 1.00 1.00 H new ATOM 0 HG21 ILE P 49 11.711 1.106 -7.494 1.00 1.00 H new ATOM 0 HG22 ILE P 49 11.134 0.541 -9.079 1.00 1.00 H new ATOM 0 HG23 ILE P 49 11.536 2.258 -8.838 1.00 1.00 H new ATOM 0 HD11 ILE P 49 10.127 4.878 -6.683 1.00 1.00 H new ATOM 0 HD12 ILE P 49 11.193 3.983 -7.791 1.00 1.00 H new ATOM 0 HD13 ILE P 49 9.543 4.415 -8.299 1.00 1.00 H new ATOM 837 N VAL P 50 8.385 -0.154 -10.117 1.00 1.00 N ATOM 838 CA VAL P 50 8.504 -1.196 -11.124 1.00 1.00 C ATOM 839 C VAL P 50 7.925 -0.680 -12.431 1.00 1.00 C ATOM 840 O VAL P 50 8.531 -0.828 -13.493 1.00 1.00 O ATOM 841 CB VAL P 50 7.771 -2.467 -10.668 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.685 -3.467 -11.826 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.545 -3.109 -9.507 1.00 1.00 C ATOM 0 H VAL P 50 7.798 -0.394 -9.318 1.00 1.00 H new ATOM 0 HA VAL P 50 9.554 -1.452 -11.269 1.00 1.00 H new ATOM 0 HB VAL P 50 6.764 -2.202 -10.345 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.164 -4.365 -11.494 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.140 -3.017 -12.656 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.690 -3.731 -12.154 1.00 1.00 H new ATOM 0 HG21 VAL P 50 8.028 -4.011 -9.180 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.551 -3.367 -9.839 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.606 -2.405 -8.677 1.00 1.00 H new ATOM 853 N MET P 51 6.750 -0.071 -12.346 1.00 1.00 N ATOM 854 CA MET P 51 6.095 0.471 -13.524 1.00 1.00 C ATOM 855 C MET P 51 6.870 1.678 -14.051 1.00 1.00 C ATOM 856 O MET P 51 6.833 1.967 -15.247 1.00 1.00 O ATOM 857 CB MET P 51 4.648 0.879 -13.207 1.00 1.00 C ATOM 858 CG MET P 51 3.749 -0.365 -13.141 1.00 1.00 C ATOM 859 SD MET P 51 2.021 0.143 -12.954 1.00 1.00 S ATOM 860 CE MET P 51 2.102 0.676 -11.226 1.00 1.00 C ATOM 0 H MET P 51 6.234 0.059 -11.476 1.00 1.00 H new ATOM 0 HA MET P 51 6.077 -0.305 -14.289 1.00 1.00 H new ATOM 0 HB2 MET P 51 4.613 1.413 -12.257 1.00 1.00 H new ATOM 0 HB3 MET P 51 4.279 1.563 -13.971 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.868 -0.960 -14.046 1.00 1.00 H new ATOM 0 HG3 MET P 51 4.046 -0.996 -12.303 1.00 1.00 H new ATOM 0 HE1 MET P 51 1.094 0.863 -10.855 1.00 1.00 H new ATOM 0 HE2 MET P 51 2.570 -0.104 -10.626 1.00 1.00 H new ATOM 0 HE3 MET P 51 2.690 1.591 -11.155 1.00 1.00 H new ATOM 870 N LEU P 52 7.569 2.391 -13.164 1.00 1.00 N ATOM 871 CA LEU P 52 8.329 3.563 -13.593 1.00 1.00 C ATOM 872 C LEU P 52 9.376 3.181 -14.632 1.00 1.00 C ATOM 873 O LEU P 52 9.588 3.906 -15.605 1.00 1.00 O ATOM 874 CB LEU P 52 9.000 4.224 -12.381 1.00 1.00 C ATOM 875 CG LEU P 52 9.822 5.451 -12.809 1.00 1.00 C ATOM 876 CD1 LEU P 52 8.931 6.470 -13.545 1.00 1.00 C ATOM 877 CD2 LEU P 52 10.422 6.096 -11.556 1.00 1.00 C ATOM 0 H LEU P 52 7.624 2.183 -12.167 1.00 1.00 H new ATOM 0 HA LEU P 52 7.640 4.273 -14.051 1.00 1.00 H new ATOM 0 HB2 LEU P 52 8.241 4.524 -11.659 1.00 1.00 H new ATOM 0 HB3 LEU P 52 9.648 3.504 -11.881 1.00 1.00 H new ATOM 0 HG LEU P 52 10.614 5.138 -13.489 1.00 1.00 H new ATOM 0 HD11 LEU P 52 9.530 7.331 -13.840 1.00 1.00 H new ATOM 0 HD12 LEU P 52 8.503 6.005 -14.433 1.00 1.00 H new ATOM 0 HD13 LEU P 52 8.128 6.796 -12.884 1.00 1.00 H new ATOM 0 HD21 LEU P 52 11.009 6.969 -11.842 1.00 1.00 H new ATOM 0 HD22 LEU P 52 9.620 6.402 -10.885 1.00 1.00 H new ATOM 0 HD23 LEU P 52 11.065 5.377 -11.049 1.00 1.00 H new ATOM 889 N LEU P 53 10.028 2.052 -14.425 1.00 1.00 N ATOM 890 CA LEU P 53 11.051 1.596 -15.357 1.00 1.00 C ATOM 891 C LEU P 53 10.410 1.091 -16.645 1.00 1.00 C ATOM 892 O LEU P 53 10.998 1.294 -17.694 1.00 1.00 O ATOM 893 CB LEU P 53 11.877 0.475 -14.722 1.00 1.00 C ATOM 894 CG LEU P 53 12.456 0.935 -13.377 1.00 1.00 C ATOM 895 CD1 LEU P 53 13.223 -0.228 -12.740 1.00 1.00 C ATOM 896 CD2 LEU P 53 13.408 2.129 -13.588 1.00 1.00 C ATOM 897 OXT LEU P 53 9.341 0.509 -16.564 1.00 1.00 O ATOM 0 H LEU P 53 9.872 1.436 -13.627 1.00 1.00 H new ATOM 0 HA LEU P 53 11.704 2.437 -15.592 1.00 1.00 H new ATOM 0 HB2 LEU P 53 11.253 -0.407 -14.574 1.00 1.00 H new ATOM 0 HB3 LEU P 53 12.685 0.185 -15.393 1.00 1.00 H new ATOM 0 HG LEU P 53 11.643 1.247 -12.722 1.00 1.00 H new ATOM 0 HD11 LEU P 53 13.638 0.090 -11.784 1.00 1.00 H new ATOM 0 HD12 LEU P 53 12.545 -1.067 -12.581 1.00 1.00 H new ATOM 0 HD13 LEU P 53 14.032 -0.536 -13.402 1.00 1.00 H new ATOM 0 HD21 LEU P 53 13.812 2.446 -12.627 1.00 1.00 H new ATOM 0 HD22 LEU P 53 14.225 1.831 -14.245 1.00 1.00 H new ATOM 0 HD23 LEU P 53 12.861 2.955 -14.042 1.00 1.00 H new