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=-3.7,f=-4.9!) USER MOD Set 1.2: P 28 ASN : amide:sc= -3.68 X(o=-3.7,f=-3.8!) USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 72:sc= 0.519 USER MOD Single : P 11 SER OG : rot -10:sc= 0.824 USER MOD Single : P 17 SER OG : rot 180:sc= 0 USER MOD Single : P 18 THR OG1 : rot -70:sc= 0.406 USER MOD Single : P 21 MET CE :methyl -121:sc= -0.0206 (180deg=-0.214) USER MOD Single : P 23 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : P 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 30 GLN : amide:sc= 0 X(o=0,f=0.053) USER MOD Single : P 31 ASN : amide:sc= 0 X(o=0,f=-0.00068) USER MOD Single : P 35 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : P 51 MET CE :methyl 165:sc= -0.655 (180deg=-1.22) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU P 3 -35.174 -12.401 15.297 1.00 1.00 N ATOM 31 CA GLU P 3 -34.648 -11.601 16.403 1.00 1.00 C ATOM 32 C GLU P 3 -33.167 -11.891 16.640 1.00 1.00 C ATOM 33 O GLU P 3 -32.389 -10.983 16.935 1.00 1.00 O ATOM 34 CB GLU P 3 -35.438 -11.898 17.680 1.00 1.00 C ATOM 35 CG GLU P 3 -36.869 -11.380 17.528 1.00 1.00 C ATOM 36 CD GLU P 3 -37.695 -11.767 18.749 1.00 1.00 C ATOM 37 OE1 GLU P 3 -37.143 -12.389 19.642 1.00 1.00 O ATOM 38 OE2 GLU P 3 -38.869 -11.435 18.774 1.00 1.00 O ATOM 0 HA GLU P 3 -34.754 -10.549 16.139 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -35.447 -12.971 17.873 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -34.958 -11.424 18.536 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -36.862 -10.296 17.412 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -37.321 -11.794 16.627 1.00 1.00 H new ATOM 45 N LYS P 4 -32.786 -13.157 16.513 1.00 1.00 N ATOM 46 CA LYS P 4 -31.394 -13.552 16.718 1.00 1.00 C ATOM 47 C LYS P 4 -30.496 -12.852 15.709 1.00 1.00 C ATOM 48 O LYS P 4 -29.384 -12.441 16.033 1.00 1.00 O ATOM 49 CB LYS P 4 -31.249 -15.074 16.576 1.00 1.00 C ATOM 50 CG LYS P 4 -32.076 -15.805 17.653 1.00 1.00 C ATOM 51 CD LYS P 4 -31.309 -15.863 18.983 1.00 1.00 C ATOM 52 CE LYS P 4 -32.137 -16.638 20.015 1.00 1.00 C ATOM 53 NZ LYS P 4 -31.399 -16.690 21.307 1.00 1.00 N ATOM 0 H LYS P 4 -33.414 -13.923 16.271 1.00 1.00 H new ATOM 0 HA LYS P 4 -31.093 -13.259 17.724 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -31.579 -15.384 15.585 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -30.199 -15.354 16.665 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -33.027 -15.292 17.798 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -32.307 -16.816 17.317 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -30.343 -16.347 18.838 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -31.109 -14.854 19.344 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -33.105 -16.157 20.156 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -32.333 -17.648 19.655 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -31.961 -17.216 22.007 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -30.486 -17.168 21.166 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -31.234 -15.723 21.652 1.00 1.00 H new ATOM 67 N VAL P 5 -30.988 -12.720 14.489 1.00 1.00 N ATOM 68 CA VAL P 5 -30.221 -12.065 13.437 1.00 1.00 C ATOM 69 C VAL P 5 -29.926 -10.625 13.835 1.00 1.00 C ATOM 70 O VAL P 5 -28.805 -10.140 13.684 1.00 1.00 O ATOM 71 CB VAL P 5 -30.999 -12.089 12.118 1.00 1.00 C ATOM 72 CG1 VAL P 5 -30.230 -11.312 11.044 1.00 1.00 C ATOM 73 CG2 VAL P 5 -31.172 -13.539 11.663 1.00 1.00 C ATOM 0 H VAL P 5 -31.908 -13.054 14.201 1.00 1.00 H new ATOM 0 HA VAL P 5 -29.282 -12.602 13.301 1.00 1.00 H new ATOM 0 HB VAL P 5 -31.975 -11.626 12.267 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -30.789 -11.333 10.109 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -30.100 -10.279 11.365 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -29.253 -11.771 10.893 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -31.725 -13.562 10.724 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -30.192 -13.994 11.518 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -31.722 -14.095 12.422 1.00 1.00 H new ATOM 83 N GLN P 6 -30.945 -9.951 14.343 1.00 1.00 N ATOM 84 CA GLN P 6 -30.811 -8.566 14.767 1.00 1.00 C ATOM 85 C GLN P 6 -29.791 -8.428 15.893 1.00 1.00 C ATOM 86 O GLN P 6 -28.954 -7.525 15.882 1.00 1.00 O ATOM 87 CB GLN P 6 -32.169 -8.065 15.243 1.00 1.00 C ATOM 88 CG GLN P 6 -32.121 -6.560 15.467 1.00 1.00 C ATOM 89 CD GLN P 6 -33.496 -6.078 15.892 1.00 1.00 C ATOM 90 OE1 GLN P 6 -33.919 -6.309 17.025 1.00 1.00 O ATOM 91 NE2 GLN P 6 -34.227 -5.431 15.037 1.00 1.00 N ATOM 0 H GLN P 6 -31.878 -10.342 14.472 1.00 1.00 H new ATOM 0 HA GLN P 6 -30.461 -7.973 13.922 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -32.934 -8.307 14.505 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -32.448 -8.570 16.168 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -31.384 -6.317 16.232 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -31.811 -6.053 14.553 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -33.870 -5.243 14.100 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -35.158 -5.110 15.302 1.00 1.00 H new ATOM 100 N TYR P 7 -29.869 -9.327 16.860 1.00 1.00 N ATOM 101 CA TYR P 7 -28.948 -9.300 17.992 1.00 1.00 C ATOM 102 C TYR P 7 -27.510 -9.482 17.515 1.00 1.00 C ATOM 103 O TYR P 7 -26.626 -8.704 17.870 1.00 1.00 O ATOM 104 CB TYR P 7 -29.313 -10.412 18.982 1.00 1.00 C ATOM 105 CG TYR P 7 -28.300 -10.450 20.101 1.00 1.00 C ATOM 106 CD1 TYR P 7 -28.407 -9.560 21.177 1.00 1.00 C ATOM 107 CD2 TYR P 7 -27.251 -11.378 20.062 1.00 1.00 C ATOM 108 CE1 TYR P 7 -27.466 -9.595 22.213 1.00 1.00 C ATOM 109 CE2 TYR P 7 -26.311 -11.414 21.099 1.00 1.00 C ATOM 110 CZ TYR P 7 -26.418 -10.524 22.174 1.00 1.00 C ATOM 111 OH TYR P 7 -25.491 -10.560 23.195 1.00 1.00 O ATOM 0 H TYR P 7 -30.555 -10.082 16.888 1.00 1.00 H new ATOM 0 HA TYR P 7 -29.030 -8.333 18.488 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -30.310 -10.239 19.387 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -29.340 -11.374 18.470 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -29.216 -8.846 21.208 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -27.168 -12.065 19.233 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -27.548 -8.907 23.041 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -25.502 -12.129 21.069 1.00 1.00 H new ATOM 0 HH TYR P 7 -24.832 -11.262 23.014 1.00 1.00 H new ATOM 121 N LEU P 8 -27.286 -10.514 16.710 1.00 1.00 N ATOM 122 CA LEU P 8 -25.949 -10.784 16.195 1.00 1.00 C ATOM 123 C LEU P 8 -25.364 -9.511 15.587 1.00 1.00 C ATOM 124 O LEU P 8 -24.170 -9.238 15.721 1.00 1.00 O ATOM 125 CB LEU P 8 -26.004 -11.897 15.139 1.00 1.00 C ATOM 126 CG LEU P 8 -26.336 -13.249 15.794 1.00 1.00 C ATOM 127 CD1 LEU P 8 -26.714 -14.255 14.702 1.00 1.00 C ATOM 128 CD2 LEU P 8 -25.126 -13.795 16.593 1.00 1.00 C ATOM 0 H LEU P 8 -28.003 -11.171 16.403 1.00 1.00 H new ATOM 0 HA LEU P 8 -25.311 -11.113 17.015 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -26.756 -11.656 14.388 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -25.047 -11.963 14.622 1.00 1.00 H new ATOM 0 HG LEU P 8 -27.167 -13.105 16.484 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -26.951 -15.216 15.159 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -27.583 -13.889 14.155 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -25.877 -14.377 14.014 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -25.390 -14.751 17.045 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -24.279 -13.933 15.921 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -24.857 -13.086 17.376 1.00 1.00 H new ATOM 140 N THR P 9 -26.211 -8.735 14.924 1.00 1.00 N ATOM 141 CA THR P 9 -25.762 -7.494 14.310 1.00 1.00 C ATOM 142 C THR P 9 -25.244 -6.546 15.388 1.00 1.00 C ATOM 143 O THR P 9 -24.205 -5.905 15.221 1.00 1.00 O ATOM 144 CB THR P 9 -26.916 -6.830 13.552 1.00 1.00 C ATOM 145 OG1 THR P 9 -27.535 -7.794 12.713 1.00 1.00 O ATOM 146 CG2 THR P 9 -26.379 -5.678 12.701 1.00 1.00 C ATOM 0 H THR P 9 -27.202 -8.940 14.799 1.00 1.00 H new ATOM 0 HA THR P 9 -24.960 -7.718 13.607 1.00 1.00 H new ATOM 0 HB THR P 9 -27.644 -6.439 14.263 1.00 1.00 H new ATOM 0 HG1 THR P 9 -28.040 -8.430 13.262 1.00 1.00 H new ATOM 0 HG21 THR P 9 -27.203 -5.208 12.163 1.00 1.00 H new ATOM 0 HG22 THR P 9 -25.900 -4.942 13.346 1.00 1.00 H new ATOM 0 HG23 THR P 9 -25.651 -6.062 11.986 1.00 1.00 H new ATOM 154 N ARG P 10 -25.982 -6.463 16.495 1.00 1.00 N ATOM 155 CA ARG P 10 -25.593 -5.590 17.600 1.00 1.00 C ATOM 156 C ARG P 10 -24.228 -5.995 18.144 1.00 1.00 C ATOM 157 O ARG P 10 -23.370 -5.154 18.404 1.00 1.00 O ATOM 158 CB ARG P 10 -26.645 -5.662 18.713 1.00 1.00 C ATOM 159 CG ARG P 10 -26.295 -4.669 19.828 1.00 1.00 C ATOM 160 CD ARG P 10 -27.336 -4.771 20.942 1.00 1.00 C ATOM 161 NE ARG P 10 -28.641 -4.340 20.451 1.00 1.00 N ATOM 162 CZ ARG P 10 -28.972 -3.052 20.415 1.00 1.00 C ATOM 163 NH1 ARG P 10 -28.126 -2.149 20.831 1.00 1.00 N ATOM 164 NH2 ARG P 10 -30.146 -2.694 19.965 1.00 1.00 N ATOM 0 H ARG P 10 -26.845 -6.985 16.649 1.00 1.00 H new ATOM 0 HA ARG P 10 -25.529 -4.566 17.233 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -27.631 -5.435 18.308 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -26.691 -6.674 19.116 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -25.302 -4.883 20.222 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -26.269 -3.654 19.431 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -27.395 -5.798 21.302 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -27.035 -4.154 21.789 1.00 1.00 H new ATOM 0 HE ARG P 10 -29.311 -5.039 20.130 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -27.211 -2.431 21.184 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -28.380 -1.161 20.803 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -30.806 -3.402 19.642 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -30.402 -1.707 19.936 1.00 1.00 H new ATOM 178 N SER P 11 -24.037 -7.291 18.312 1.00 1.00 N ATOM 179 CA SER P 11 -22.773 -7.812 18.825 1.00 1.00 C ATOM 180 C SER P 11 -21.676 -7.665 17.784 1.00 1.00 C ATOM 181 O SER P 11 -20.491 -7.605 18.110 1.00 1.00 O ATOM 182 CB SER P 11 -22.926 -9.280 19.184 1.00 1.00 C ATOM 183 OG SER P 11 -23.335 -10.001 18.028 1.00 1.00 O ATOM 0 H SER P 11 -24.736 -8.004 18.103 1.00 1.00 H new ATOM 0 HA SER P 11 -22.502 -7.242 19.714 1.00 1.00 H new ATOM 0 HB2 SER P 11 -21.982 -9.676 19.560 1.00 1.00 H new ATOM 0 HB3 SER P 11 -23.661 -9.398 19.980 1.00 1.00 H new ATOM 0 HG SER P 11 -23.579 -9.370 17.319 1.00 1.00 H new ATOM 189 N ALA P 12 -22.089 -7.610 16.530 1.00 1.00 N ATOM 190 CA ALA P 12 -21.150 -7.472 15.434 1.00 1.00 C ATOM 191 C ALA P 12 -20.450 -6.132 15.525 1.00 1.00 C ATOM 192 O ALA P 12 -19.255 -6.026 15.276 1.00 1.00 O ATOM 193 CB ALA P 12 -21.880 -7.592 14.095 1.00 1.00 C ATOM 0 H ALA P 12 -23.068 -7.659 16.247 1.00 1.00 H new ATOM 0 HA ALA P 12 -20.408 -8.268 15.500 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -21.164 -7.487 13.280 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -22.363 -8.567 14.030 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -22.634 -6.808 14.020 1.00 1.00 H new ATOM 199 N ILE P 13 -21.210 -5.110 15.885 1.00 1.00 N ATOM 200 CA ILE P 13 -20.662 -3.760 16.014 1.00 1.00 C ATOM 201 C ILE P 13 -19.954 -3.553 17.350 1.00 1.00 C ATOM 202 O ILE P 13 -19.062 -2.709 17.457 1.00 1.00 O ATOM 203 CB ILE P 13 -21.755 -2.700 15.819 1.00 1.00 C ATOM 204 CG1 ILE P 13 -21.139 -1.308 15.990 1.00 1.00 C ATOM 205 CG2 ILE P 13 -22.881 -2.891 16.836 1.00 1.00 C ATOM 206 CD1 ILE P 13 -22.113 -0.244 15.478 1.00 1.00 C ATOM 0 H ILE P 13 -22.206 -5.184 16.094 1.00 1.00 H new ATOM 0 HA ILE P 13 -19.918 -3.644 15.226 1.00 1.00 H new ATOM 0 HB ILE P 13 -22.174 -2.803 14.818 1.00 1.00 H new ATOM 0 HG12 ILE P 13 -20.909 -1.128 17.040 1.00 1.00 H new ATOM 0 HG13 ILE P 13 -20.198 -1.247 15.443 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -23.645 -2.129 16.680 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -23.323 -3.879 16.709 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -22.479 -2.801 17.845 1.00 1.00 H new ATOM 0 HD11 ILE P 13 -21.670 0.744 15.602 1.00 1.00 H new ATOM 0 HD12 ILE P 13 -22.321 -0.419 14.422 1.00 1.00 H new ATOM 0 HD13 ILE P 13 -23.042 -0.299 16.045 1.00 1.00 H new ATOM 218 N ARG P 14 -20.349 -4.312 18.371 1.00 1.00 N ATOM 219 CA ARG P 14 -19.722 -4.163 19.679 1.00 1.00 C ATOM 220 C ARG P 14 -18.231 -4.431 19.565 1.00 1.00 C ATOM 221 O ARG P 14 -17.414 -3.657 20.048 1.00 1.00 O ATOM 222 CB ARG P 14 -20.370 -5.120 20.682 1.00 1.00 C ATOM 223 CG ARG P 14 -19.787 -4.876 22.072 1.00 1.00 C ATOM 224 CD ARG P 14 -20.488 -5.778 23.088 1.00 1.00 C ATOM 225 NE ARG P 14 -20.042 -5.461 24.447 1.00 1.00 N ATOM 226 CZ ARG P 14 -20.635 -4.511 25.170 1.00 1.00 C ATOM 227 NH1 ARG P 14 -21.632 -3.834 24.669 1.00 1.00 N ATOM 228 NH2 ARG P 14 -20.216 -4.258 26.380 1.00 1.00 N ATOM 0 H ARG P 14 -21.082 -5.019 18.320 1.00 1.00 H new ATOM 0 HA ARG P 14 -19.866 -3.143 20.036 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -21.450 -4.970 20.698 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -20.196 -6.153 20.380 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -18.716 -5.079 22.069 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -19.913 -3.830 22.352 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -21.568 -5.649 23.014 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -20.275 -6.823 22.863 1.00 1.00 H new ATOM 0 HE ARG P 14 -19.260 -5.979 24.849 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -21.958 -4.032 23.723 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -22.085 -3.107 25.223 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -19.436 -4.787 26.771 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -20.668 -3.531 26.935 1.00 1.00 H new ATOM 242 N ARG P 15 -17.890 -5.533 18.923 1.00 1.00 N ATOM 243 CA ARG P 15 -16.501 -5.907 18.740 1.00 1.00 C ATOM 244 C ARG P 15 -15.753 -4.721 18.138 1.00 1.00 C ATOM 245 O ARG P 15 -14.592 -4.490 18.425 1.00 1.00 O ATOM 246 CB ARG P 15 -16.433 -7.155 17.826 1.00 1.00 C ATOM 247 CG ARG P 15 -16.435 -6.765 16.333 1.00 1.00 C ATOM 248 CD ARG P 15 -16.853 -7.962 15.479 1.00 1.00 C ATOM 249 NE ARG P 15 -16.779 -7.622 14.062 1.00 1.00 N ATOM 250 CZ ARG P 15 -17.378 -8.374 13.144 1.00 1.00 C ATOM 251 NH1 ARG P 15 -18.033 -9.446 13.505 1.00 1.00 N ATOM 252 NH2 ARG P 15 -17.307 -8.044 11.882 1.00 1.00 N ATOM 0 H ARG P 15 -18.560 -6.187 18.518 1.00 1.00 H new ATOM 0 HA ARG P 15 -16.032 -6.161 19.691 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -15.532 -7.724 18.053 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -17.282 -7.806 18.034 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -17.120 -5.933 16.167 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -15.443 -6.425 16.036 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -16.205 -8.813 15.690 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -17.869 -8.264 15.735 1.00 1.00 H new ATOM 0 HE ARG P 15 -16.259 -6.794 13.771 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -18.084 -9.705 14.490 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -18.493 -10.024 12.801 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -16.792 -7.210 11.601 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -17.767 -8.621 11.177 1.00 1.00 H new ATOM 266 N ALA P 16 -16.436 -3.945 17.307 1.00 1.00 N ATOM 267 CA ALA P 16 -15.783 -2.790 16.709 1.00 1.00 C ATOM 268 C ALA P 16 -15.198 -1.962 17.831 1.00 1.00 C ATOM 269 O ALA P 16 -14.230 -1.221 17.669 1.00 1.00 O ATOM 270 CB ALA P 16 -16.772 -1.966 15.878 1.00 1.00 C ATOM 0 H ALA P 16 -17.410 -4.087 17.038 1.00 1.00 H new ATOM 0 HA ALA P 16 -14.995 -3.115 16.029 1.00 1.00 H new ATOM 0 HB1 ALA P 16 -16.257 -1.110 15.443 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -17.182 -2.586 15.081 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -17.582 -1.616 16.518 1.00 1.00 H new ATOM 276 N SER P 17 -15.825 -2.132 18.980 1.00 1.00 N ATOM 277 CA SER P 17 -15.416 -1.442 20.187 1.00 1.00 C ATOM 278 C SER P 17 -14.347 -2.260 20.929 1.00 1.00 C ATOM 279 O SER P 17 -13.203 -1.822 21.060 1.00 1.00 O ATOM 280 CB SER P 17 -16.630 -1.206 21.100 1.00 1.00 C ATOM 281 OG SER P 17 -16.366 -0.089 21.945 1.00 1.00 O ATOM 0 H SER P 17 -16.628 -2.749 19.102 1.00 1.00 H new ATOM 0 HA SER P 17 -14.991 -0.477 19.912 1.00 1.00 H new ATOM 0 HB2 SER P 17 -17.522 -1.022 20.501 1.00 1.00 H new ATOM 0 HB3 SER P 17 -16.827 -2.094 21.701 1.00 1.00 H new ATOM 0 HG SER P 17 -17.137 0.069 22.529 1.00 1.00 H new ATOM 287 N THR P 18 -14.730 -3.441 21.446 1.00 1.00 N ATOM 288 CA THR P 18 -13.803 -4.305 22.212 1.00 1.00 C ATOM 289 C THR P 18 -13.240 -5.522 21.460 1.00 1.00 C ATOM 290 O THR P 18 -12.809 -6.478 22.107 1.00 1.00 O ATOM 291 CB THR P 18 -14.539 -4.807 23.458 1.00 1.00 C ATOM 292 OG1 THR P 18 -13.724 -5.741 24.152 1.00 1.00 O ATOM 293 CG2 THR P 18 -15.840 -5.481 23.038 1.00 1.00 C ATOM 0 H THR P 18 -15.671 -3.822 21.350 1.00 1.00 H new ATOM 0 HA THR P 18 -12.939 -3.680 22.437 1.00 1.00 H new ATOM 0 HB THR P 18 -14.758 -3.964 24.114 1.00 1.00 H new ATOM 0 HG1 THR P 18 -13.655 -6.567 23.629 1.00 1.00 H new ATOM 0 HG21 THR P 18 -16.366 -5.839 23.923 1.00 1.00 H new ATOM 0 HG22 THR P 18 -16.467 -4.764 22.509 1.00 1.00 H new ATOM 0 HG23 THR P 18 -15.618 -6.323 22.382 1.00 1.00 H new ATOM 301 N ILE P 19 -13.225 -5.512 20.133 1.00 1.00 N ATOM 302 CA ILE P 19 -12.680 -6.670 19.385 1.00 1.00 C ATOM 303 C ILE P 19 -11.380 -7.162 20.034 1.00 1.00 C ATOM 304 O ILE P 19 -10.943 -8.291 19.812 1.00 1.00 O ATOM 305 CB ILE P 19 -12.416 -6.302 17.910 1.00 1.00 C ATOM 306 CG1 ILE P 19 -11.692 -7.443 17.163 1.00 1.00 C ATOM 307 CG2 ILE P 19 -11.546 -5.051 17.839 1.00 1.00 C ATOM 308 CD1 ILE P 19 -12.514 -8.737 17.242 1.00 1.00 C ATOM 0 H ILE P 19 -13.570 -4.746 19.554 1.00 1.00 H new ATOM 0 HA ILE P 19 -13.423 -7.467 19.417 1.00 1.00 H new ATOM 0 HB ILE P 19 -13.382 -6.127 17.436 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -11.539 -7.165 16.120 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -10.706 -7.603 17.598 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -11.362 -4.795 16.796 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -12.057 -4.224 18.331 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -10.596 -5.240 18.339 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -11.992 -9.533 16.711 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -12.644 -9.022 18.286 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -13.490 -8.576 16.785 1.00 1.00 H new ATOM 320 N GLU P 20 -10.763 -6.301 20.840 1.00 1.00 N ATOM 321 CA GLU P 20 -9.508 -6.639 21.528 1.00 1.00 C ATOM 322 C GLU P 20 -9.581 -6.246 23.003 1.00 1.00 C ATOM 323 O GLU P 20 -9.546 -7.105 23.883 1.00 1.00 O ATOM 324 CB GLU P 20 -8.350 -5.895 20.844 1.00 1.00 C ATOM 325 CG GLU P 20 -6.999 -6.251 21.491 1.00 1.00 C ATOM 326 CD GLU P 20 -6.639 -7.707 21.211 1.00 1.00 C ATOM 327 OE1 GLU P 20 -7.311 -8.320 20.398 1.00 1.00 O ATOM 328 OE2 GLU P 20 -5.694 -8.187 21.815 1.00 1.00 O ATOM 0 H GLU P 20 -11.108 -5.361 21.036 1.00 1.00 H new ATOM 0 HA GLU P 20 -9.344 -7.715 21.470 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -8.327 -6.149 19.784 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -8.516 -4.820 20.910 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -6.219 -5.596 21.102 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -7.049 -6.083 22.567 1.00 1.00 H new ATOM 335 N MET P 21 -9.677 -4.943 23.249 1.00 1.00 N ATOM 336 CA MET P 21 -9.749 -4.409 24.610 1.00 1.00 C ATOM 337 C MET P 21 -9.961 -2.880 24.549 1.00 1.00 C ATOM 338 O MET P 21 -9.068 -2.185 24.105 1.00 1.00 O ATOM 339 CB MET P 21 -8.422 -4.699 25.324 1.00 1.00 C ATOM 340 CG MET P 21 -8.523 -4.412 26.846 1.00 1.00 C ATOM 341 SD MET P 21 -7.500 -5.605 27.753 1.00 1.00 S ATOM 342 CE MET P 21 -8.619 -7.030 27.632 1.00 1.00 C ATOM 0 H MET P 21 -9.707 -4.231 22.519 1.00 1.00 H new ATOM 0 HA MET P 21 -10.576 -4.873 25.147 1.00 1.00 H new ATOM 0 HB2 MET P 21 -8.142 -5.741 25.166 1.00 1.00 H new ATOM 0 HB3 MET P 21 -7.632 -4.088 24.889 1.00 1.00 H new ATOM 0 HG2 MET P 21 -8.191 -3.396 27.059 1.00 1.00 H new ATOM 0 HG3 MET P 21 -9.560 -4.483 27.173 1.00 1.00 H new ATOM 0 HE1 MET P 21 -8.885 -7.370 28.633 1.00 1.00 H new ATOM 0 HE2 MET P 21 -9.522 -6.739 27.095 1.00 1.00 H new ATOM 0 HE3 MET P 21 -8.122 -7.838 27.095 1.00 1.00 H new ATOM 352 N PRO P 22 -11.091 -2.336 24.969 1.00 1.00 N ATOM 353 CA PRO P 22 -11.354 -0.847 24.922 1.00 1.00 C ATOM 354 C PRO P 22 -10.193 0.038 25.384 1.00 1.00 C ATOM 355 O PRO P 22 -10.010 1.139 24.866 1.00 1.00 O ATOM 356 CB PRO P 22 -12.561 -0.682 25.840 1.00 1.00 C ATOM 357 CG PRO P 22 -13.311 -1.946 25.651 1.00 1.00 C ATOM 358 CD PRO P 22 -12.253 -3.043 25.536 1.00 1.00 C ATOM 0 HA PRO P 22 -11.509 -0.519 23.894 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -12.260 -0.545 26.879 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -13.160 0.186 25.564 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -13.980 -2.134 26.491 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -13.930 -1.904 24.755 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -12.022 -3.482 26.506 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -12.585 -3.855 24.889 1.00 1.00 H new ATOM 366 N GLN P 23 -9.422 -0.429 26.345 1.00 1.00 N ATOM 367 CA GLN P 23 -8.299 0.358 26.841 1.00 1.00 C ATOM 368 C GLN P 23 -7.251 0.513 25.759 1.00 1.00 C ATOM 369 O GLN P 23 -6.749 1.610 25.516 1.00 1.00 O ATOM 370 CB GLN P 23 -7.673 -0.310 28.069 1.00 1.00 C ATOM 371 CG GLN P 23 -8.657 -0.263 29.240 1.00 1.00 C ATOM 372 CD GLN P 23 -8.063 -0.976 30.450 1.00 1.00 C ATOM 373 OE1 GLN P 23 -7.488 -2.057 30.315 1.00 1.00 O ATOM 374 NE2 GLN P 23 -8.167 -0.431 31.631 1.00 1.00 N ATOM 0 H GLN P 23 -9.545 -1.336 26.796 1.00 1.00 H new ATOM 0 HA GLN P 23 -8.672 1.342 27.126 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -7.414 -1.344 27.840 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -6.747 0.198 28.339 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -8.884 0.773 29.493 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -9.597 -0.735 28.955 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -8.644 0.464 31.739 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -7.772 -0.900 32.446 1.00 1.00 H new ATOM 383 N GLN P 24 -6.918 -0.602 25.104 1.00 1.00 N ATOM 384 CA GLN P 24 -5.925 -0.603 24.039 1.00 1.00 C ATOM 385 C GLN P 24 -6.611 -0.615 22.675 1.00 1.00 C ATOM 386 O GLN P 24 -5.942 -0.548 21.655 1.00 1.00 O ATOM 387 CB GLN P 24 -5.027 -1.835 24.182 1.00 1.00 C ATOM 388 CG GLN P 24 -4.270 -1.767 25.511 1.00 1.00 C ATOM 389 CD GLN P 24 -3.441 -3.035 25.706 1.00 1.00 C ATOM 390 OE1 GLN P 24 -3.354 -3.869 24.805 1.00 1.00 O ATOM 391 NE2 GLN P 24 -2.826 -3.228 26.839 1.00 1.00 N ATOM 0 H GLN P 24 -7.326 -1.517 25.297 1.00 1.00 H new ATOM 0 HA GLN P 24 -5.319 0.300 24.115 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -5.629 -2.743 24.141 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -4.322 -1.882 23.352 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -3.620 -0.892 25.524 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -4.975 -1.653 26.335 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -2.900 -2.535 27.584 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -2.271 -4.072 26.981 1.00 1.00 H new ATOM 400 N ALA P 25 -7.950 -0.699 22.659 1.00 1.00 N ATOM 401 CA ALA P 25 -8.677 -0.713 21.393 1.00 1.00 C ATOM 402 C ALA P 25 -8.381 0.560 20.649 1.00 1.00 C ATOM 403 O ALA P 25 -8.296 0.584 19.425 1.00 1.00 O ATOM 404 CB ALA P 25 -10.186 -0.806 21.611 1.00 1.00 C ATOM 0 H ALA P 25 -8.536 -0.757 23.492 1.00 1.00 H new ATOM 0 HA ALA P 25 -8.355 -1.587 20.827 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -10.693 -0.814 20.646 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -10.420 -1.723 22.151 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -10.523 0.053 22.191 1.00 1.00 H new ATOM 410 N ARG P 26 -8.230 1.624 21.413 1.00 1.00 N ATOM 411 CA ARG P 26 -7.944 2.927 20.825 1.00 1.00 C ATOM 412 C ARG P 26 -6.709 2.856 19.912 1.00 1.00 C ATOM 413 O ARG P 26 -6.792 3.128 18.707 1.00 1.00 O ATOM 414 CB ARG P 26 -7.707 3.948 21.941 1.00 1.00 C ATOM 415 CG ARG P 26 -9.034 4.256 22.646 1.00 1.00 C ATOM 416 CD ARG P 26 -8.791 5.221 23.806 1.00 1.00 C ATOM 417 NE ARG P 26 -10.055 5.541 24.463 1.00 1.00 N ATOM 418 CZ ARG P 26 -10.083 6.192 25.623 1.00 1.00 C ATOM 419 NH1 ARG P 26 -8.969 6.551 26.198 1.00 1.00 N ATOM 420 NH2 ARG P 26 -11.224 6.473 26.191 1.00 1.00 N ATOM 0 H ARG P 26 -8.299 1.618 22.431 1.00 1.00 H new ATOM 0 HA ARG P 26 -8.798 3.233 20.221 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -6.985 3.557 22.658 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -7.283 4.863 21.527 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -9.739 4.693 21.939 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -9.483 3.334 23.016 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -8.102 4.775 24.523 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -8.322 6.133 23.438 1.00 1.00 H new ATOM 0 HE ARG P 26 -10.932 5.260 24.025 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -8.075 6.333 25.758 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -8.992 7.050 27.087 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -12.098 6.193 25.746 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -11.242 6.972 27.080 1.00 1.00 H new ATOM 434 N GLN P 27 -5.564 2.496 20.484 1.00 1.00 N ATOM 435 CA GLN P 27 -4.324 2.403 19.711 1.00 1.00 C ATOM 436 C GLN P 27 -4.196 1.075 18.967 1.00 1.00 C ATOM 437 O GLN P 27 -3.541 1.011 17.928 1.00 1.00 O ATOM 438 CB GLN P 27 -3.125 2.565 20.643 1.00 1.00 C ATOM 439 CG GLN P 27 -3.118 3.976 21.230 1.00 1.00 C ATOM 440 CD GLN P 27 -1.917 4.145 22.155 1.00 1.00 C ATOM 441 OE1 GLN P 27 -1.817 3.464 23.176 1.00 1.00 O ATOM 442 NE2 GLN P 27 -0.994 5.018 21.856 1.00 1.00 N ATOM 0 H GLN P 27 -5.466 2.265 21.473 1.00 1.00 H new ATOM 0 HA GLN P 27 -4.349 3.201 18.969 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -3.172 1.827 21.444 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -2.200 2.383 20.096 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -3.077 4.713 20.428 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -4.041 4.155 21.781 1.00 1.00 H new ATOM 0 HE21 GLN P 27 -1.079 5.581 21.010 1.00 1.00 H new ATOM 0 HE22 GLN P 27 -0.187 5.137 22.469 1.00 1.00 H new ATOM 451 N ASN P 28 -4.816 0.017 19.482 1.00 1.00 N ATOM 452 CA ASN P 28 -4.724 -1.270 18.799 1.00 2.19 C ATOM 453 C ASN P 28 -5.458 -1.211 17.475 1.00 1.00 C ATOM 454 O ASN P 28 -4.995 -1.750 16.473 1.00 1.00 O ATOM 455 CB ASN P 28 -5.297 -2.419 19.634 1.00 1.00 C ATOM 456 CG ASN P 28 -4.389 -2.717 20.814 1.00 1.00 C ATOM 457 OD1 ASN P 28 -3.275 -2.199 20.885 1.00 1.00 O ATOM 458 ND2 ASN P 28 -4.799 -3.531 21.748 1.00 1.00 N ATOM 0 H ASN P 28 -5.369 0.021 20.339 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.664 -1.466 18.639 1.00 2.19 H new ATOM 0 HB2 ASN P 28 -6.293 -2.157 19.990 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.404 -3.310 19.015 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -4.195 -3.741 22.543 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -5.723 -3.957 21.683 1.00 1.00 H new ATOM 465 N LEU P 29 -6.606 -0.552 17.473 1.00 1.00 N ATOM 466 CA LEU P 29 -7.393 -0.431 16.262 1.00 2.19 C ATOM 467 C LEU P 29 -6.678 0.451 15.266 1.00 1.00 C ATOM 468 O LEU P 29 -6.648 0.149 14.070 1.00 1.00 O ATOM 469 CB LEU P 29 -8.775 0.164 16.564 1.00 1.00 C ATOM 470 CG LEU P 29 -9.649 -0.834 17.348 1.00 1.00 C ATOM 471 CD1 LEU P 29 -10.864 -0.090 17.919 1.00 1.00 C ATOM 472 CD2 LEU P 29 -10.138 -1.975 16.422 1.00 1.00 C ATOM 0 H LEU P 29 -7.009 -0.096 18.292 1.00 1.00 H new ATOM 0 HA LEU P 29 -7.523 -1.429 15.843 1.00 2.19 H new ATOM 0 HB2 LEU P 29 -8.661 1.083 17.140 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -9.271 0.432 15.631 1.00 1.00 H new ATOM 0 HG LEU P 29 -9.057 -1.268 18.154 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -11.489 -0.788 18.476 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -10.525 0.704 18.584 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -11.442 0.343 17.103 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -10.753 -2.669 16.994 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -10.727 -1.555 15.607 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -9.278 -2.505 16.013 1.00 1.00 H new ATOM 484 N GLN P 30 -6.093 1.554 15.741 1.00 1.00 N ATOM 485 CA GLN P 30 -5.390 2.445 14.843 1.00 2.65 C ATOM 486 C GLN P 30 -4.080 1.829 14.376 1.00 1.00 C ATOM 487 O GLN P 30 -3.637 2.073 13.256 1.00 1.00 O ATOM 488 CB GLN P 30 -5.111 3.776 15.539 1.00 1.00 C ATOM 489 CG GLN P 30 -6.426 4.515 15.782 1.00 1.00 C ATOM 490 CD GLN P 30 -6.166 5.808 16.550 1.00 1.00 C ATOM 491 OE1 GLN P 30 -5.686 5.771 17.684 1.00 1.00 O ATOM 492 NE2 GLN P 30 -6.455 6.954 15.998 1.00 1.00 N ATOM 0 H GLN P 30 -6.096 1.839 16.720 1.00 1.00 H new ATOM 0 HA GLN P 30 -6.022 2.614 13.972 1.00 2.65 H new ATOM 0 HB2 GLN P 30 -4.600 3.602 16.486 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -4.448 4.386 14.926 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -6.908 4.739 14.830 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -7.111 3.880 16.344 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -6.852 6.982 15.059 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -6.284 7.822 16.505 1.00 1.00 H new ATOM 501 N ASN P 31 -3.460 1.032 15.238 1.00 1.00 N ATOM 502 CA ASN P 31 -2.193 0.393 14.896 1.00 2.24 C ATOM 503 C ASN P 31 -2.346 -0.502 13.681 1.00 1.00 C ATOM 504 O ASN P 31 -1.524 -0.466 12.766 1.00 1.00 O ATOM 505 CB ASN P 31 -1.695 -0.435 16.080 1.00 1.00 C ATOM 506 CG ASN P 31 -0.392 -1.134 15.713 1.00 1.00 C ATOM 507 OD1 ASN P 31 -0.388 -2.331 15.428 1.00 1.00 O ATOM 508 ND2 ASN P 31 0.724 -0.454 15.702 1.00 1.00 N ATOM 0 H ASN P 31 -3.809 0.813 16.171 1.00 1.00 H new ATOM 0 HA ASN P 31 -1.470 1.174 14.662 1.00 2.24 H new ATOM 0 HB2 ASN P 31 -1.541 0.209 16.946 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -2.447 -1.173 16.361 1.00 1.00 H new ATOM 0 HD21 ASN P 31 1.600 -0.915 15.457 1.00 1.00 H new ATOM 0 HD22 ASN P 31 0.719 0.538 15.938 1.00 1.00 H new ATOM 515 N LEU P 32 -3.396 -1.298 13.674 1.00 1.00 N ATOM 516 CA LEU P 32 -3.637 -2.186 12.560 1.00 2.30 C ATOM 517 C LEU P 32 -3.883 -1.346 11.320 1.00 1.00 C ATOM 518 O LEU P 32 -3.370 -1.648 10.262 1.00 1.00 O ATOM 519 CB LEU P 32 -4.845 -3.120 12.834 1.00 1.00 C ATOM 520 CG LEU P 32 -4.423 -4.385 13.616 1.00 1.00 C ATOM 521 CD1 LEU P 32 -4.159 -4.057 15.090 1.00 1.00 C ATOM 522 CD2 LEU P 32 -5.551 -5.422 13.530 1.00 1.00 C ATOM 0 H LEU P 32 -4.089 -1.347 14.421 1.00 1.00 H new ATOM 0 HA LEU P 32 -2.765 -2.824 12.413 1.00 2.30 H new ATOM 0 HB2 LEU P 32 -5.603 -2.578 13.400 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.301 -3.412 11.888 1.00 1.00 H new ATOM 0 HG LEU P 32 -3.505 -4.776 13.177 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -3.864 -4.964 15.617 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -3.360 -3.319 15.161 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -5.066 -3.654 15.541 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -5.263 -6.319 14.079 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -6.461 -5.007 13.964 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -5.731 -5.678 12.486 1.00 1.00 H new ATOM 534 N PHE P 33 -4.670 -0.292 11.465 1.00 1.00 N ATOM 535 CA PHE P 33 -4.963 0.575 10.331 1.00 2.50 C ATOM 536 C PHE P 33 -3.680 1.212 9.801 1.00 1.00 C ATOM 537 O PHE P 33 -3.395 1.157 8.603 1.00 1.00 O ATOM 538 CB PHE P 33 -5.954 1.668 10.748 1.00 1.00 C ATOM 539 CG PHE P 33 -6.285 2.536 9.552 1.00 1.00 C ATOM 540 CD1 PHE P 33 -7.056 2.013 8.508 1.00 1.00 C ATOM 541 CD2 PHE P 33 -5.824 3.860 9.483 1.00 1.00 C ATOM 542 CE1 PHE P 33 -7.366 2.806 7.398 1.00 1.00 C ATOM 543 CE2 PHE P 33 -6.136 4.654 8.371 1.00 1.00 C ATOM 544 CZ PHE P 33 -6.907 4.126 7.328 1.00 1.00 C ATOM 0 H PHE P 33 -5.112 -0.017 12.342 1.00 1.00 H new ATOM 0 HA PHE P 33 -5.408 -0.028 9.539 1.00 2.50 H new ATOM 0 HB2 PHE P 33 -6.863 1.217 11.145 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -5.526 2.277 11.545 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -7.413 0.995 8.559 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -5.229 4.267 10.287 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -7.961 2.399 6.594 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -5.782 5.673 8.319 1.00 1.00 H new ATOM 0 HZ PHE P 33 -7.147 4.737 6.470 1.00 1.00 H new ATOM 554 N ILE P 34 -2.911 1.816 10.702 1.00 1.00 N ATOM 555 CA ILE P 34 -1.661 2.459 10.307 1.00 2.54 C ATOM 556 C ILE P 34 -0.672 1.415 9.776 1.00 1.00 C ATOM 557 O ILE P 34 -0.059 1.613 8.727 1.00 1.00 O ATOM 558 CB ILE P 34 -1.045 3.216 11.499 1.00 1.00 C ATOM 559 CG1 ILE P 34 -1.949 4.411 11.904 1.00 1.00 C ATOM 560 CG2 ILE P 34 0.360 3.721 11.140 1.00 1.00 C ATOM 561 CD1 ILE P 34 -2.137 5.416 10.749 1.00 1.00 C ATOM 0 H ILE P 34 -3.127 1.874 11.697 1.00 1.00 H new ATOM 0 HA ILE P 34 -1.876 3.175 9.514 1.00 2.54 H new ATOM 0 HB ILE P 34 -0.969 2.530 12.342 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -2.923 4.037 12.220 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -1.510 4.922 12.761 1.00 1.00 H new ATOM 0 HG21 ILE P 34 0.784 4.254 11.991 1.00 1.00 H new ATOM 0 HG22 ILE P 34 0.998 2.874 10.889 1.00 1.00 H new ATOM 0 HG23 ILE P 34 0.297 4.394 10.285 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -2.777 6.235 11.079 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -1.167 5.812 10.450 1.00 1.00 H new ATOM 0 HD13 ILE P 34 -2.601 4.913 9.901 1.00 1.00 H new ATOM 573 N ASN P 35 -0.524 0.303 10.498 1.00 1.00 N ATOM 574 CA ASN P 35 0.389 -0.750 10.075 1.00 2.49 C ATOM 575 C ASN P 35 -0.104 -1.345 8.775 1.00 1.00 C ATOM 576 O ASN P 35 0.662 -1.550 7.832 1.00 1.00 O ATOM 577 CB ASN P 35 0.468 -1.838 11.148 1.00 1.00 C ATOM 578 CG ASN P 35 1.422 -2.941 10.705 1.00 1.00 C ATOM 579 OD1 ASN P 35 2.425 -2.667 10.046 1.00 1.00 O ATOM 580 ND2 ASN P 35 1.169 -4.180 11.030 1.00 1.00 N ATOM 0 H ASN P 35 -1.020 0.113 11.369 1.00 1.00 H new ATOM 0 HA ASN P 35 1.384 -0.329 9.929 1.00 2.49 H new ATOM 0 HB2 ASN P 35 0.809 -1.407 12.089 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.523 -2.254 11.329 1.00 1.00 H new ATOM 0 HD21 ASN P 35 1.803 -4.924 10.738 1.00 1.00 H new ATOM 0 HD22 ASN P 35 0.337 -4.404 11.576 1.00 1.00 H new ATOM 587 N PHE P 36 -1.395 -1.624 8.743 1.00 1.00 N ATOM 588 CA PHE P 36 -2.006 -2.206 7.557 1.00 2.44 C ATOM 589 C PHE P 36 -1.928 -1.258 6.374 1.00 1.00 C ATOM 590 O PHE P 36 -1.869 -1.694 5.219 1.00 1.00 O ATOM 591 CB PHE P 36 -3.472 -2.588 7.805 1.00 1.00 C ATOM 592 CG PHE P 36 -4.048 -3.233 6.562 1.00 1.00 C ATOM 593 CD1 PHE P 36 -3.547 -4.463 6.126 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.080 -2.608 5.850 1.00 1.00 C ATOM 595 CE1 PHE P 36 -4.075 -5.069 4.981 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.607 -3.213 4.705 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.104 -4.443 4.270 1.00 1.00 C ATOM 0 H PHE P 36 -2.038 -1.459 9.517 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.442 -3.110 7.327 1.00 2.44 H new ATOM 0 HB2 PHE P 36 -3.541 -3.275 8.648 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -4.050 -1.702 8.068 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -2.751 -4.946 6.674 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.469 -1.658 6.186 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -3.688 -6.020 4.646 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.402 -2.730 4.157 1.00 1.00 H new ATOM 0 HZ PHE P 36 -5.510 -4.910 3.385 1.00 1.00 H new ATOM 607 N ALA P 37 -1.912 0.040 6.648 1.00 1.00 N ATOM 608 CA ALA P 37 -1.825 1.022 5.586 1.00 1.93 C ATOM 609 C ALA P 37 -0.395 1.082 5.069 1.00 1.00 C ATOM 610 O ALA P 37 -0.161 1.232 3.875 1.00 1.00 O ATOM 611 CB ALA P 37 -2.254 2.398 6.104 1.00 1.00 C ATOM 0 H ALA P 37 -1.958 0.431 7.589 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.491 0.733 4.773 1.00 1.93 H new ATOM 0 HB1 ALA P 37 -2.185 3.128 5.298 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -3.283 2.348 6.461 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.600 2.699 6.923 1.00 1.00 H new ATOM 617 N LEU P 38 0.561 0.959 5.986 1.00 1.00 N ATOM 618 CA LEU P 38 1.972 1.001 5.615 1.00 2.06 C ATOM 619 C LEU P 38 2.287 -0.126 4.638 1.00 1.00 C ATOM 620 O LEU P 38 3.032 0.068 3.679 1.00 1.00 O ATOM 621 CB LEU P 38 2.854 0.872 6.867 1.00 1.00 C ATOM 622 CG LEU P 38 2.906 2.207 7.630 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.586 1.979 8.983 1.00 1.00 C ATOM 624 CD2 LEU P 38 3.686 3.282 6.819 1.00 1.00 C ATOM 0 H LEU P 38 0.387 0.831 6.983 1.00 1.00 H new ATOM 0 HA LEU P 38 2.181 1.957 5.135 1.00 2.06 H new ATOM 0 HB2 LEU P 38 2.461 0.090 7.517 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.862 0.571 6.580 1.00 1.00 H new ATOM 0 HG LEU P 38 1.889 2.570 7.779 1.00 1.00 H new ATOM 0 HD11 LEU P 38 3.628 2.920 9.532 1.00 1.00 H new ATOM 0 HD12 LEU P 38 3.017 1.248 9.558 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.598 1.606 8.823 1.00 1.00 H new ATOM 0 HD21 LEU P 38 3.708 4.216 7.380 1.00 1.00 H new ATOM 0 HD22 LEU P 38 4.706 2.938 6.646 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.191 3.446 5.862 1.00 1.00 H new ATOM 636 N ILE P 39 1.712 -1.299 4.874 1.00 1.00 N ATOM 637 CA ILE P 39 1.948 -2.427 3.987 1.00 2.68 C ATOM 638 C ILE P 39 1.392 -2.079 2.612 1.00 1.00 C ATOM 639 O ILE P 39 2.019 -2.333 1.587 1.00 1.00 O ATOM 640 CB ILE P 39 1.258 -3.685 4.526 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.949 -4.124 5.822 1.00 1.00 C ATOM 642 CG2 ILE P 39 1.360 -4.809 3.492 1.00 1.00 C ATOM 643 CD1 ILE P 39 1.124 -5.222 6.502 1.00 1.00 C ATOM 0 H ILE P 39 1.089 -1.491 5.659 1.00 1.00 H new ATOM 0 HA ILE P 39 3.017 -2.628 3.922 1.00 2.68 H new ATOM 0 HB ILE P 39 0.208 -3.468 4.723 1.00 1.00 H new ATOM 0 HG12 ILE P 39 2.952 -4.492 5.604 1.00 1.00 H new ATOM 0 HG13 ILE P 39 2.061 -3.272 6.492 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.869 -5.703 3.877 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.874 -4.498 2.567 1.00 1.00 H new ATOM 0 HG23 ILE P 39 2.409 -5.028 3.295 1.00 1.00 H new ATOM 0 HD11 ILE P 39 1.619 -5.531 7.423 1.00 1.00 H new ATOM 0 HD12 ILE P 39 0.130 -4.839 6.735 1.00 1.00 H new ATOM 0 HD13 ILE P 39 1.035 -6.078 5.833 1.00 1.00 H new ATOM 655 N LEU P 40 0.205 -1.484 2.617 1.00 1.00 N ATOM 656 CA LEU P 40 -0.433 -1.091 1.366 1.00 2.48 C ATOM 657 C LEU P 40 0.427 -0.042 0.660 1.00 1.00 C ATOM 658 O LEU P 40 0.678 -0.130 -0.543 1.00 1.00 O ATOM 659 CB LEU P 40 -1.830 -0.520 1.626 1.00 1.00 C ATOM 660 CG LEU P 40 -2.791 -1.633 2.090 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.107 -0.999 2.562 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.074 -2.632 0.934 1.00 1.00 C ATOM 0 H LEU P 40 -0.328 -1.266 3.459 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.531 -1.973 0.733 1.00 2.48 H new ATOM 0 HB2 LEU P 40 -1.775 0.260 2.385 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.214 -0.055 0.718 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.328 -2.181 2.911 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -4.790 -1.782 2.891 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -3.907 -0.320 3.391 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -4.559 -0.445 1.740 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -3.754 -3.409 1.283 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.528 -2.101 0.097 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.138 -3.088 0.610 1.00 1.00 H new ATOM 674 N ILE P 41 0.871 0.952 1.426 1.00 1.00 N ATOM 675 CA ILE P 41 1.695 2.013 0.881 1.00 2.05 C ATOM 676 C ILE P 41 3.028 1.452 0.373 1.00 1.00 C ATOM 677 O ILE P 41 3.449 1.763 -0.739 1.00 1.00 O ATOM 678 CB ILE P 41 1.916 3.082 1.965 1.00 1.00 C ATOM 679 CG1 ILE P 41 0.598 3.852 2.243 1.00 1.00 C ATOM 680 CG2 ILE P 41 3.015 4.052 1.550 1.00 1.00 C ATOM 681 CD1 ILE P 41 0.075 4.588 0.992 1.00 1.00 C ATOM 0 H ILE P 41 0.671 1.039 2.422 1.00 1.00 H new ATOM 0 HA ILE P 41 1.190 2.471 0.030 1.00 2.05 H new ATOM 0 HB ILE P 41 2.228 2.579 2.881 1.00 1.00 H new ATOM 0 HG12 ILE P 41 -0.161 3.153 2.595 1.00 1.00 H new ATOM 0 HG13 ILE P 41 0.763 4.573 3.044 1.00 1.00 H new ATOM 0 HG21 ILE P 41 3.155 4.799 2.331 1.00 1.00 H new ATOM 0 HG22 ILE P 41 3.946 3.505 1.401 1.00 1.00 H new ATOM 0 HG23 ILE P 41 2.732 4.547 0.621 1.00 1.00 H new ATOM 0 HD11 ILE P 41 -0.849 5.112 1.238 1.00 1.00 H new ATOM 0 HD12 ILE P 41 0.821 5.307 0.655 1.00 1.00 H new ATOM 0 HD13 ILE P 41 -0.117 3.866 0.199 1.00 1.00 H new ATOM 693 N PHE P 42 3.689 0.632 1.185 1.00 1.00 N ATOM 694 CA PHE P 42 4.970 0.055 0.783 1.00 2.40 C ATOM 695 C PHE P 42 4.812 -0.730 -0.516 1.00 1.00 C ATOM 696 O PHE P 42 5.609 -0.590 -1.443 1.00 1.00 O ATOM 697 CB PHE P 42 5.495 -0.867 1.887 1.00 1.00 C ATOM 698 CG PHE P 42 6.890 -1.331 1.533 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.947 -0.414 1.552 1.00 1.00 C ATOM 700 CD2 PHE P 42 7.132 -2.669 1.188 1.00 1.00 C ATOM 701 CE1 PHE P 42 9.244 -0.828 1.228 1.00 1.00 C ATOM 702 CE2 PHE P 42 8.432 -3.084 0.862 1.00 1.00 C ATOM 703 CZ PHE P 42 9.487 -2.163 0.883 1.00 1.00 C ATOM 0 H PHE P 42 3.366 0.355 2.112 1.00 1.00 H new ATOM 0 HA PHE P 42 5.683 0.863 0.621 1.00 2.40 H new ATOM 0 HB2 PHE P 42 5.506 -0.340 2.841 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.833 -1.725 2.005 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.761 0.616 1.817 1.00 1.00 H new ATOM 0 HD2 PHE P 42 6.318 -3.379 1.173 1.00 1.00 H new ATOM 0 HE1 PHE P 42 10.057 -0.118 1.244 1.00 1.00 H new ATOM 0 HE2 PHE P 42 8.619 -4.114 0.595 1.00 1.00 H new ATOM 0 HZ PHE P 42 10.488 -2.483 0.633 1.00 1.00 H new ATOM 713 N LEU P 43 3.776 -1.554 -0.571 1.00 1.00 N ATOM 714 CA LEU P 43 3.512 -2.359 -1.755 1.00 2.39 C ATOM 715 C LEU P 43 3.245 -1.449 -2.947 1.00 1.00 C ATOM 716 O LEU P 43 3.676 -1.731 -4.064 1.00 1.00 O ATOM 717 CB LEU P 43 2.306 -3.270 -1.514 1.00 1.00 C ATOM 718 CG LEU P 43 2.660 -4.399 -0.527 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.365 -5.089 -0.080 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.597 -5.440 -1.192 1.00 1.00 C ATOM 0 H LEU P 43 3.106 -1.683 0.188 1.00 1.00 H new ATOM 0 HA LEU P 43 4.384 -2.978 -1.965 1.00 2.39 H new ATOM 0 HB2 LEU P 43 1.475 -2.684 -1.120 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.974 -3.699 -2.460 1.00 1.00 H new ATOM 0 HG LEU P 43 3.178 -3.971 0.331 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.603 -5.891 0.619 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.715 -4.362 0.408 1.00 1.00 H new ATOM 0 HD13 LEU P 43 0.856 -5.505 -0.949 1.00 1.00 H new ATOM 0 HD21 LEU P 43 3.833 -6.227 -0.476 1.00 1.00 H new ATOM 0 HD22 LEU P 43 3.100 -5.875 -2.059 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.518 -4.950 -1.509 1.00 1.00 H new ATOM 732 N LEU P 44 2.539 -0.354 -2.696 1.00 1.00 N ATOM 733 CA LEU P 44 2.226 0.596 -3.752 1.00 2.14 C ATOM 734 C LEU P 44 3.519 1.214 -4.287 1.00 1.00 C ATOM 735 O LEU P 44 3.657 1.440 -5.490 1.00 1.00 O ATOM 736 CB LEU P 44 1.288 1.701 -3.217 1.00 1.00 C ATOM 737 CG LEU P 44 -0.179 1.206 -3.197 1.00 1.00 C ATOM 738 CD1 LEU P 44 -0.982 2.000 -2.161 1.00 1.00 C ATOM 739 CD2 LEU P 44 -0.833 1.421 -4.572 1.00 1.00 C ATOM 0 H LEU P 44 2.175 -0.104 -1.777 1.00 1.00 H new ATOM 0 HA LEU P 44 1.718 0.073 -4.562 1.00 2.14 H new ATOM 0 HB2 LEU P 44 1.594 1.990 -2.212 1.00 1.00 H new ATOM 0 HB3 LEU P 44 1.369 2.590 -3.843 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.177 0.145 -2.946 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.013 1.647 -2.152 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -0.542 1.860 -1.174 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -0.963 3.059 -2.420 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -1.864 1.069 -4.544 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -0.819 2.482 -4.820 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.280 0.865 -5.329 1.00 1.00 H new ATOM 751 N LEU P 45 4.462 1.487 -3.384 1.00 1.00 N ATOM 752 CA LEU P 45 5.738 2.079 -3.785 1.00 2.34 C ATOM 753 C LEU P 45 6.505 1.144 -4.711 1.00 1.00 C ATOM 754 O LEU P 45 7.112 1.582 -5.687 1.00 1.00 O ATOM 755 CB LEU P 45 6.605 2.408 -2.560 1.00 1.00 C ATOM 756 CG LEU P 45 6.015 3.587 -1.764 1.00 1.00 C ATOM 757 CD1 LEU P 45 6.803 3.746 -0.457 1.00 1.00 C ATOM 758 CD2 LEU P 45 6.101 4.902 -2.587 1.00 1.00 C ATOM 0 H LEU P 45 4.369 1.311 -2.384 1.00 1.00 H new ATOM 0 HA LEU P 45 5.513 3.003 -4.317 1.00 2.34 H new ATOM 0 HB2 LEU P 45 6.679 1.531 -1.917 1.00 1.00 H new ATOM 0 HB3 LEU P 45 7.617 2.653 -2.882 1.00 1.00 H new ATOM 0 HG LEU P 45 4.966 3.384 -1.549 1.00 1.00 H new ATOM 0 HD11 LEU P 45 6.394 4.579 0.115 1.00 1.00 H new ATOM 0 HD12 LEU P 45 6.725 2.830 0.129 1.00 1.00 H new ATOM 0 HD13 LEU P 45 7.851 3.943 -0.685 1.00 1.00 H new ATOM 0 HD21 LEU P 45 5.679 5.723 -2.007 1.00 1.00 H new ATOM 0 HD22 LEU P 45 7.144 5.119 -2.818 1.00 1.00 H new ATOM 0 HD23 LEU P 45 5.541 4.788 -3.515 1.00 1.00 H new ATOM 770 N ILE P 46 6.476 -0.142 -4.403 1.00 1.00 N ATOM 771 CA ILE P 46 7.170 -1.119 -5.216 1.00 2.13 C ATOM 772 C ILE P 46 6.556 -1.140 -6.612 1.00 1.00 C ATOM 773 O ILE P 46 7.263 -1.168 -7.618 1.00 1.00 O ATOM 774 CB ILE P 46 7.062 -2.495 -4.551 1.00 1.00 C ATOM 775 CG1 ILE P 46 7.886 -2.495 -3.257 1.00 1.00 C ATOM 776 CG2 ILE P 46 7.596 -3.564 -5.492 1.00 1.00 C ATOM 777 CD1 ILE P 46 7.590 -3.758 -2.440 1.00 1.00 C ATOM 0 H ILE P 46 5.981 -0.530 -3.600 1.00 1.00 H new ATOM 0 HA ILE P 46 8.224 -0.856 -5.305 1.00 2.13 H new ATOM 0 HB ILE P 46 6.018 -2.708 -4.323 1.00 1.00 H new ATOM 0 HG12 ILE P 46 8.949 -2.447 -3.494 1.00 1.00 H new ATOM 0 HG13 ILE P 46 7.651 -1.609 -2.668 1.00 1.00 H new ATOM 0 HG21 ILE P 46 7.517 -4.541 -5.015 1.00 1.00 H new ATOM 0 HG22 ILE P 46 7.013 -3.562 -6.413 1.00 1.00 H new ATOM 0 HG23 ILE P 46 8.641 -3.356 -5.723 1.00 1.00 H new ATOM 0 HD11 ILE P 46 8.181 -3.746 -1.524 1.00 1.00 H new ATOM 0 HD12 ILE P 46 6.530 -3.788 -2.187 1.00 1.00 H new ATOM 0 HD13 ILE P 46 7.848 -4.640 -3.027 1.00 1.00 H new ATOM 789 N ALA P 47 5.235 -1.118 -6.647 1.00 1.00 N ATOM 790 CA ALA P 47 4.515 -1.129 -7.911 1.00 2.18 C ATOM 791 C ALA P 47 4.978 0.041 -8.773 1.00 1.00 C ATOM 792 O ALA P 47 5.262 -0.121 -9.959 1.00 1.00 O ATOM 793 CB ALA P 47 3.009 -1.018 -7.665 1.00 1.00 C ATOM 0 H ALA P 47 4.640 -1.093 -5.819 1.00 1.00 H new ATOM 0 HA ALA P 47 4.721 -2.068 -8.426 1.00 2.18 H new ATOM 0 HB1 ALA P 47 2.483 -1.027 -8.620 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.676 -1.861 -7.059 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.794 -0.087 -7.141 1.00 1.00 H new ATOM 799 N ILE P 48 5.047 1.220 -8.161 1.00 1.00 N ATOM 800 CA ILE P 48 5.472 2.425 -8.868 1.00 2.80 C ATOM 801 C ILE P 48 6.911 2.286 -9.383 1.00 1.00 C ATOM 802 O ILE P 48 7.211 2.648 -10.519 1.00 1.00 O ATOM 803 CB ILE P 48 5.370 3.627 -7.923 1.00 1.00 C ATOM 804 CG1 ILE P 48 3.896 3.887 -7.597 1.00 1.00 C ATOM 805 CG2 ILE P 48 5.964 4.874 -8.594 1.00 1.00 C ATOM 806 CD1 ILE P 48 3.791 4.881 -6.440 1.00 1.00 C ATOM 0 H ILE P 48 4.815 1.367 -7.179 1.00 1.00 H new ATOM 0 HA ILE P 48 4.820 2.573 -9.729 1.00 2.80 H new ATOM 0 HB ILE P 48 5.923 3.412 -7.009 1.00 1.00 H new ATOM 0 HG12 ILE P 48 3.384 4.281 -8.475 1.00 1.00 H new ATOM 0 HG13 ILE P 48 3.402 2.952 -7.332 1.00 1.00 H new ATOM 0 HG21 ILE P 48 5.887 5.724 -7.915 1.00 1.00 H new ATOM 0 HG22 ILE P 48 7.012 4.694 -8.833 1.00 1.00 H new ATOM 0 HG23 ILE P 48 5.415 5.091 -9.510 1.00 1.00 H new ATOM 0 HD11 ILE P 48 2.741 5.063 -6.211 1.00 1.00 H new ATOM 0 HD12 ILE P 48 4.288 4.470 -5.561 1.00 1.00 H new ATOM 0 HD13 ILE P 48 4.269 5.819 -6.722 1.00 1.00 H new ATOM 818 N ILE P 49 7.788 1.758 -8.537 1.00 1.00 N ATOM 819 CA ILE P 49 9.191 1.571 -8.912 1.00 1.00 C ATOM 820 C ILE P 49 9.325 0.522 -10.013 1.00 1.00 C ATOM 821 O ILE P 49 10.071 0.700 -10.976 1.00 1.00 O ATOM 822 CB ILE P 49 10.001 1.136 -7.691 1.00 1.00 C ATOM 823 CG1 ILE P 49 10.046 2.279 -6.672 1.00 1.00 C ATOM 824 CG2 ILE P 49 11.434 0.779 -8.109 1.00 1.00 C ATOM 825 CD1 ILE P 49 10.619 1.773 -5.342 1.00 1.00 C ATOM 0 H ILE P 49 7.558 1.452 -7.592 1.00 1.00 H new ATOM 0 HA ILE P 49 9.574 2.520 -9.287 1.00 1.00 H new ATOM 0 HB ILE P 49 9.526 0.261 -7.246 1.00 1.00 H new ATOM 0 HG12 ILE P 49 10.659 3.095 -7.055 1.00 1.00 H new ATOM 0 HG13 ILE P 49 9.044 2.679 -6.517 1.00 1.00 H new ATOM 0 HG21 ILE P 49 12.003 0.470 -7.232 1.00 1.00 H new ATOM 0 HG22 ILE P 49 11.410 -0.037 -8.831 1.00 1.00 H new ATOM 0 HG23 ILE P 49 11.909 1.650 -8.561 1.00 1.00 H new ATOM 0 HD11 ILE P 49 10.648 2.592 -4.623 1.00 1.00 H new ATOM 0 HD12 ILE P 49 9.988 0.972 -4.955 1.00 1.00 H new ATOM 0 HD13 ILE P 49 11.629 1.395 -5.501 1.00 1.00 H new ATOM 837 N VAL P 50 8.598 -0.571 -9.849 1.00 1.00 N ATOM 838 CA VAL P 50 8.633 -1.660 -10.819 1.00 1.00 C ATOM 839 C VAL P 50 8.134 -1.189 -12.182 1.00 1.00 C ATOM 840 O VAL P 50 8.746 -1.483 -13.208 1.00 1.00 O ATOM 841 CB VAL P 50 7.783 -2.834 -10.312 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.620 -3.890 -11.412 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.477 -3.476 -9.105 1.00 1.00 C ATOM 0 H VAL P 50 7.977 -0.730 -9.056 1.00 1.00 H new ATOM 0 HA VAL P 50 9.665 -1.991 -10.935 1.00 1.00 H new ATOM 0 HB VAL P 50 6.800 -2.459 -10.028 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.015 -4.716 -11.037 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.128 -3.443 -12.276 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.601 -4.263 -11.706 1.00 1.00 H new ATOM 0 HG21 VAL P 50 7.877 -4.310 -8.742 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.461 -3.839 -9.402 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.587 -2.736 -8.312 1.00 1.00 H new ATOM 853 N MET P 51 7.020 -0.459 -12.193 1.00 1.00 N ATOM 854 CA MET P 51 6.475 0.033 -13.450 1.00 1.00 C ATOM 855 C MET P 51 7.298 1.215 -13.963 1.00 1.00 C ATOM 856 O MET P 51 7.245 1.535 -15.151 1.00 1.00 O ATOM 857 CB MET P 51 4.963 0.386 -13.303 1.00 1.00 C ATOM 858 CG MET P 51 4.724 1.848 -12.877 1.00 1.00 C ATOM 859 SD MET P 51 2.935 2.149 -12.797 1.00 1.00 S ATOM 860 CE MET P 51 2.548 1.073 -11.395 1.00 1.00 C ATOM 0 H MET P 51 6.488 -0.201 -11.362 1.00 1.00 H new ATOM 0 HA MET P 51 6.543 -0.759 -14.195 1.00 1.00 H new ATOM 0 HB2 MET P 51 4.459 0.203 -14.252 1.00 1.00 H new ATOM 0 HB3 MET P 51 4.510 -0.279 -12.568 1.00 1.00 H new ATOM 0 HG2 MET P 51 5.182 2.038 -11.907 1.00 1.00 H new ATOM 0 HG3 MET P 51 5.190 2.530 -13.589 1.00 1.00 H new ATOM 0 HE1 MET P 51 1.555 1.313 -11.016 1.00 1.00 H new ATOM 0 HE2 MET P 51 2.572 0.032 -11.718 1.00 1.00 H new ATOM 0 HE3 MET P 51 3.284 1.225 -10.606 1.00 1.00 H new ATOM 870 N LEU P 52 8.058 1.874 -13.078 1.00 1.00 N ATOM 871 CA LEU P 52 8.863 3.017 -13.507 1.00 1.00 C ATOM 872 C LEU P 52 9.886 2.596 -14.556 1.00 1.00 C ATOM 873 O LEU P 52 10.104 3.303 -15.538 1.00 1.00 O ATOM 874 CB LEU P 52 9.553 3.656 -12.282 1.00 1.00 C ATOM 875 CG LEU P 52 10.467 4.848 -12.673 1.00 1.00 C ATOM 876 CD1 LEU P 52 11.792 4.377 -13.336 1.00 1.00 C ATOM 877 CD2 LEU P 52 9.703 5.815 -13.607 1.00 1.00 C ATOM 0 H LEU P 52 8.130 1.641 -12.088 1.00 1.00 H new ATOM 0 HA LEU P 52 8.209 3.759 -13.966 1.00 1.00 H new ATOM 0 HB2 LEU P 52 8.794 3.999 -11.579 1.00 1.00 H new ATOM 0 HB3 LEU P 52 10.146 2.900 -11.767 1.00 1.00 H new ATOM 0 HG LEU P 52 10.738 5.372 -11.757 1.00 1.00 H new ATOM 0 HD11 LEU P 52 12.399 5.245 -13.592 1.00 1.00 H new ATOM 0 HD12 LEU P 52 12.341 3.743 -12.640 1.00 1.00 H new ATOM 0 HD13 LEU P 52 11.566 3.813 -14.241 1.00 1.00 H new ATOM 0 HD21 LEU P 52 10.351 6.649 -13.877 1.00 1.00 H new ATOM 0 HD22 LEU P 52 9.399 5.285 -14.510 1.00 1.00 H new ATOM 0 HD23 LEU P 52 8.819 6.194 -13.094 1.00 1.00 H new ATOM 889 N LEU P 53 10.503 1.442 -14.361 1.00 1.00 N ATOM 890 CA LEU P 53 11.492 0.958 -15.321 1.00 1.00 C ATOM 891 C LEU P 53 10.916 0.996 -16.736 1.00 1.00 C ATOM 892 O LEU P 53 9.729 1.242 -16.867 1.00 1.00 O ATOM 893 CB LEU P 53 11.910 -0.477 -14.979 1.00 1.00 C ATOM 894 CG LEU P 53 12.558 -0.531 -13.588 1.00 1.00 C ATOM 895 CD1 LEU P 53 12.813 -1.995 -13.212 1.00 1.00 C ATOM 896 CD2 LEU P 53 13.899 0.238 -13.584 1.00 1.00 C ATOM 897 OXT LEU P 53 11.674 0.780 -17.667 1.00 1.00 O ATOM 0 H LEU P 53 10.343 0.829 -13.562 1.00 1.00 H new ATOM 0 HA LEU P 53 12.366 1.607 -15.270 1.00 1.00 H new ATOM 0 HB2 LEU P 53 11.039 -1.132 -15.007 1.00 1.00 H new ATOM 0 HB3 LEU P 53 12.611 -0.846 -15.728 1.00 1.00 H new ATOM 0 HG LEU P 53 11.886 -0.067 -12.866 1.00 1.00 H new ATOM 0 HD11 LEU P 53 13.273 -2.042 -12.225 1.00 1.00 H new ATOM 0 HD12 LEU P 53 11.867 -2.537 -13.198 1.00 1.00 H new ATOM 0 HD13 LEU P 53 13.480 -2.448 -13.945 1.00 1.00 H new ATOM 0 HD21 LEU P 53 14.344 0.189 -12.590 1.00 1.00 H new ATOM 0 HD22 LEU P 53 14.578 -0.212 -14.308 1.00 1.00 H new ATOM 0 HD23 LEU P 53 13.722 1.280 -13.851 1.00 1.00 H new