USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: P 31 ASN : amide:sc= -1.27 K(o=-2.8,f=-4.4) USER MOD Set 1.2: P 35 ASN : amide:sc= -1.51 X(o=-2.8,f=-2.7!) USER MOD Set 2.1: P 1 ALA N :NH3+ -178:sc= 0 (180deg=-0.00399) USER MOD Set 2.2: P 6 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : P 2 MET CE :methyl -122:sc= -0.0013 (180deg=-0.451) USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 80:sc= 1.19 USER MOD Single : P 11 SER OG : rot -166:sc= 0.254 USER MOD Single : P 17 SER OG : rot -46:sc= -0.444! USER MOD Single : P 18 THR OG1 : rot 180:sc= 0 USER MOD Single : P 21 MET CE :methyl -175:sc= 0 (180deg=-0.0129) USER MOD Single : P 23 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.21) USER MOD Single : P 24 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : P 27 GLN : amide:sc= -1.83! C(o=-1.8!,f=-1.7!) USER MOD Single : P 28 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.02) USER MOD Single : P 30 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : P 51 MET CE :methyl -171:sc= -1.44 (180deg=-1.62) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 16.427 23.465 9.428 1.00 1.00 N ATOM 2 CA ALA P 1 16.636 24.908 9.122 1.00 1.00 C ATOM 3 C ALA P 1 16.244 25.750 10.334 1.00 1.00 C ATOM 4 O ALA P 1 17.000 26.617 10.771 1.00 1.00 O ATOM 5 CB ALA P 1 15.777 25.293 7.918 1.00 1.00 C ATOM 0 H1 ALA P 1 16.726 22.891 8.614 1.00 1.00 H new ATOM 0 H2 ALA P 1 16.989 23.202 10.263 1.00 1.00 H new ATOM 0 H3 ALA P 1 15.420 23.293 9.621 1.00 1.00 H new ATOM 0 HA ALA P 1 17.686 25.089 8.891 1.00 1.00 H new ATOM 0 HB1 ALA P 1 15.925 26.348 7.688 1.00 1.00 H new ATOM 0 HB2 ALA P 1 16.066 24.690 7.057 1.00 1.00 H new ATOM 0 HB3 ALA P 1 14.727 25.116 8.149 1.00 1.00 H new ATOM 13 N MET P 2 15.050 25.487 10.874 1.00 1.00 N ATOM 14 CA MET P 2 14.540 26.219 12.044 1.00 1.00 C ATOM 15 C MET P 2 14.141 25.244 13.148 1.00 1.00 C ATOM 16 O MET P 2 13.690 24.131 12.875 1.00 1.00 O ATOM 17 CB MET P 2 13.330 27.064 11.637 1.00 1.00 C ATOM 18 CG MET P 2 13.794 28.194 10.716 1.00 1.00 C ATOM 19 SD MET P 2 12.390 29.265 10.298 1.00 1.00 S ATOM 20 CE MET P 2 11.594 28.177 9.089 1.00 1.00 C ATOM 0 H MET P 2 14.415 24.771 10.520 1.00 1.00 H new ATOM 0 HA MET P 2 15.327 26.872 12.421 1.00 1.00 H new ATOM 0 HB2 MET P 2 12.592 26.443 11.128 1.00 1.00 H new ATOM 0 HB3 MET P 2 12.844 27.476 12.522 1.00 1.00 H new ATOM 0 HG2 MET P 2 14.574 28.777 11.206 1.00 1.00 H new ATOM 0 HG3 MET P 2 14.229 27.779 9.807 1.00 1.00 H new ATOM 0 HE1 MET P 2 11.511 28.694 8.133 1.00 1.00 H new ATOM 0 HE2 MET P 2 12.192 27.275 8.962 1.00 1.00 H new ATOM 0 HE3 MET P 2 10.599 27.906 9.443 1.00 1.00 H new ATOM 30 N GLU P 3 14.314 25.671 14.394 1.00 1.00 N ATOM 31 CA GLU P 3 13.974 24.830 15.540 1.00 1.00 C ATOM 32 C GLU P 3 12.469 24.578 15.594 1.00 1.00 C ATOM 33 O GLU P 3 12.028 23.498 15.986 1.00 1.00 O ATOM 34 CB GLU P 3 14.437 25.505 16.837 1.00 1.00 C ATOM 35 CG GLU P 3 14.263 24.548 18.026 1.00 1.00 C ATOM 36 CD GLU P 3 15.258 23.397 17.929 1.00 1.00 C ATOM 37 OE1 GLU P 3 16.126 23.456 17.072 1.00 1.00 O ATOM 38 OE2 GLU P 3 15.139 22.470 18.714 1.00 1.00 O ATOM 0 H GLU P 3 14.686 26.589 14.637 1.00 1.00 H new ATOM 0 HA GLU P 3 14.482 23.872 15.431 1.00 1.00 H new ATOM 0 HB2 GLU P 3 15.483 25.800 16.749 1.00 1.00 H new ATOM 0 HB3 GLU P 3 13.862 26.415 17.007 1.00 1.00 H new ATOM 0 HG2 GLU P 3 14.411 25.088 18.961 1.00 1.00 H new ATOM 0 HG3 GLU P 3 13.245 24.158 18.041 1.00 1.00 H new ATOM 45 N LYS P 4 11.686 25.575 15.198 1.00 1.00 N ATOM 46 CA LYS P 4 10.232 25.440 15.211 1.00 1.00 C ATOM 47 C LYS P 4 9.804 24.310 14.284 1.00 1.00 C ATOM 48 O LYS P 4 8.931 23.508 14.616 1.00 1.00 O ATOM 49 CB LYS P 4 9.584 26.751 14.763 1.00 1.00 C ATOM 50 CG LYS P 4 9.850 27.836 15.810 1.00 1.00 C ATOM 51 CD LYS P 4 9.238 29.159 15.347 1.00 1.00 C ATOM 52 CE LYS P 4 9.506 30.242 16.396 1.00 1.00 C ATOM 53 NZ LYS P 4 8.928 31.537 15.935 1.00 1.00 N ATOM 0 H LYS P 4 12.028 26.477 14.867 1.00 1.00 H new ATOM 0 HA LYS P 4 9.908 25.209 16.226 1.00 1.00 H new ATOM 0 HB2 LYS P 4 9.986 27.056 13.797 1.00 1.00 H new ATOM 0 HB3 LYS P 4 8.511 26.612 14.632 1.00 1.00 H new ATOM 0 HG2 LYS P 4 9.423 27.542 16.769 1.00 1.00 H new ATOM 0 HG3 LYS P 4 10.923 27.954 15.962 1.00 1.00 H new ATOM 0 HD2 LYS P 4 9.665 29.453 14.388 1.00 1.00 H new ATOM 0 HD3 LYS P 4 8.165 29.042 15.196 1.00 1.00 H new ATOM 0 HE2 LYS P 4 9.066 29.955 17.351 1.00 1.00 H new ATOM 0 HE3 LYS P 4 10.579 30.348 16.559 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 9.110 32.272 16.648 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 9.368 31.812 15.034 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 7.902 31.431 15.801 1.00 1.00 H new ATOM 67 N VAL P 5 10.434 24.260 13.123 1.00 1.00 N ATOM 68 CA VAL P 5 10.133 23.231 12.139 1.00 1.00 C ATOM 69 C VAL P 5 10.567 21.864 12.655 1.00 1.00 C ATOM 70 O VAL P 5 9.848 20.875 12.517 1.00 1.00 O ATOM 71 CB VAL P 5 10.836 23.544 10.815 1.00 1.00 C ATOM 72 CG1 VAL P 5 10.663 22.375 9.839 1.00 1.00 C ATOM 73 CG2 VAL P 5 10.223 24.805 10.204 1.00 1.00 C ATOM 0 H VAL P 5 11.158 24.920 12.837 1.00 1.00 H new ATOM 0 HA VAL P 5 9.056 23.214 11.969 1.00 1.00 H new ATOM 0 HB VAL P 5 11.898 23.700 11.003 1.00 1.00 H new ATOM 0 HG11 VAL P 5 11.166 22.607 8.900 1.00 1.00 H new ATOM 0 HG12 VAL P 5 11.098 21.473 10.271 1.00 1.00 H new ATOM 0 HG13 VAL P 5 9.602 22.212 9.651 1.00 1.00 H new ATOM 0 HG21 VAL P 5 10.721 25.031 9.261 1.00 1.00 H new ATOM 0 HG22 VAL P 5 9.160 24.642 10.023 1.00 1.00 H new ATOM 0 HG23 VAL P 5 10.350 25.641 10.891 1.00 1.00 H new ATOM 83 N GLN P 6 11.752 21.824 13.244 1.00 1.00 N ATOM 84 CA GLN P 6 12.293 20.581 13.779 1.00 1.00 C ATOM 85 C GLN P 6 11.423 20.032 14.902 1.00 1.00 C ATOM 86 O GLN P 6 11.157 18.833 14.957 1.00 1.00 O ATOM 87 CB GLN P 6 13.716 20.799 14.292 1.00 1.00 C ATOM 88 CG GLN P 6 14.660 21.015 13.108 1.00 1.00 C ATOM 89 CD GLN P 6 16.077 21.266 13.608 1.00 1.00 C ATOM 90 OE1 GLN P 6 16.555 20.567 14.502 1.00 1.00 O ATOM 91 NE2 GLN P 6 16.783 22.227 13.078 1.00 1.00 N ATOM 0 H GLN P 6 12.358 22.636 13.364 1.00 1.00 H new ATOM 0 HA GLN P 6 12.306 19.852 12.969 1.00 1.00 H new ATOM 0 HB2 GLN P 6 13.746 21.663 14.956 1.00 1.00 H new ATOM 0 HB3 GLN P 6 14.039 19.937 14.875 1.00 1.00 H new ATOM 0 HG2 GLN P 6 14.645 20.141 12.457 1.00 1.00 H new ATOM 0 HG3 GLN P 6 14.321 21.862 12.512 1.00 1.00 H new ATOM 0 HE21 GLN P 6 16.384 22.804 12.338 1.00 1.00 H new ATOM 0 HE22 GLN P 6 17.734 22.401 13.404 1.00 1.00 H new ATOM 100 N TYR P 7 10.982 20.902 15.795 1.00 1.00 N ATOM 101 CA TYR P 7 10.145 20.458 16.904 1.00 1.00 C ATOM 102 C TYR P 7 8.852 19.846 16.379 1.00 1.00 C ATOM 103 O TYR P 7 8.510 18.715 16.724 1.00 1.00 O ATOM 104 CB TYR P 7 9.832 21.639 17.835 1.00 1.00 C ATOM 105 CG TYR P 7 8.811 21.227 18.878 1.00 1.00 C ATOM 106 CD1 TYR P 7 9.211 20.472 19.986 1.00 1.00 C ATOM 107 CD2 TYR P 7 7.466 21.600 18.735 1.00 1.00 C ATOM 108 CE1 TYR P 7 8.273 20.090 20.950 1.00 1.00 C ATOM 109 CE2 TYR P 7 6.526 21.217 19.701 1.00 1.00 C ATOM 110 CZ TYR P 7 6.931 20.461 20.808 1.00 1.00 C ATOM 111 OH TYR P 7 6.006 20.082 21.760 1.00 1.00 O ATOM 0 H TYR P 7 11.183 21.902 15.779 1.00 1.00 H new ATOM 0 HA TYR P 7 10.686 19.698 17.468 1.00 1.00 H new ATOM 0 HB2 TYR P 7 10.745 21.978 18.324 1.00 1.00 H new ATOM 0 HB3 TYR P 7 9.451 22.479 17.254 1.00 1.00 H new ATOM 0 HD1 TYR P 7 10.246 20.184 20.097 1.00 1.00 H new ATOM 0 HD2 TYR P 7 7.155 22.182 17.880 1.00 1.00 H new ATOM 0 HE1 TYR P 7 8.584 19.508 21.805 1.00 1.00 H new ATOM 0 HE2 TYR P 7 5.491 21.504 19.592 1.00 1.00 H new ATOM 0 HH TYR P 7 5.122 20.422 21.510 1.00 1.00 H new ATOM 121 N LEU P 8 8.138 20.591 15.544 1.00 1.00 N ATOM 122 CA LEU P 8 6.889 20.087 14.987 1.00 1.00 C ATOM 123 C LEU P 8 7.114 18.692 14.415 1.00 1.00 C ATOM 124 O LEU P 8 6.259 17.815 14.537 1.00 1.00 O ATOM 125 CB LEU P 8 6.386 21.017 13.880 1.00 1.00 C ATOM 126 CG LEU P 8 5.930 22.359 14.472 1.00 1.00 C ATOM 127 CD1 LEU P 8 5.653 23.339 13.327 1.00 1.00 C ATOM 128 CD2 LEU P 8 4.649 22.173 15.327 1.00 1.00 C ATOM 0 H LEU P 8 8.396 21.530 15.242 1.00 1.00 H new ATOM 0 HA LEU P 8 6.141 20.045 15.779 1.00 1.00 H new ATOM 0 HB2 LEU P 8 7.178 21.185 13.150 1.00 1.00 H new ATOM 0 HB3 LEU P 8 5.558 20.546 13.350 1.00 1.00 H new ATOM 0 HG LEU P 8 6.717 22.751 15.117 1.00 1.00 H new ATOM 0 HD11 LEU P 8 5.328 24.295 13.737 1.00 1.00 H new ATOM 0 HD12 LEU P 8 6.563 23.484 12.744 1.00 1.00 H new ATOM 0 HD13 LEU P 8 4.871 22.936 12.684 1.00 1.00 H new ATOM 0 HD21 LEU P 8 4.342 23.135 15.737 1.00 1.00 H new ATOM 0 HD22 LEU P 8 3.850 21.773 14.703 1.00 1.00 H new ATOM 0 HD23 LEU P 8 4.853 21.479 16.143 1.00 1.00 H new ATOM 140 N THR P 9 8.273 18.490 13.793 1.00 1.00 N ATOM 141 CA THR P 9 8.588 17.190 13.217 1.00 1.00 C ATOM 142 C THR P 9 8.612 16.148 14.326 1.00 1.00 C ATOM 143 O THR P 9 8.045 15.060 14.194 1.00 1.00 O ATOM 144 CB THR P 9 9.948 17.228 12.514 1.00 1.00 C ATOM 145 OG1 THR P 9 10.006 18.364 11.664 1.00 1.00 O ATOM 146 CG2 THR P 9 10.126 15.959 11.683 1.00 1.00 C ATOM 0 H THR P 9 8.998 19.198 13.677 1.00 1.00 H new ATOM 0 HA THR P 9 7.827 16.932 12.481 1.00 1.00 H new ATOM 0 HB THR P 9 10.743 17.289 13.258 1.00 1.00 H new ATOM 0 HG1 THR P 9 10.214 19.160 12.196 1.00 1.00 H new ATOM 0 HG21 THR P 9 11.094 15.985 11.182 1.00 1.00 H new ATOM 0 HG22 THR P 9 10.078 15.087 12.335 1.00 1.00 H new ATOM 0 HG23 THR P 9 9.333 15.898 10.938 1.00 1.00 H new ATOM 154 N ARG P 10 9.266 16.486 15.433 1.00 1.00 N ATOM 155 CA ARG P 10 9.336 15.566 16.550 1.00 1.00 C ATOM 156 C ARG P 10 7.922 15.321 17.041 1.00 1.00 C ATOM 157 O ARG P 10 7.524 14.197 17.316 1.00 1.00 O ATOM 158 CB ARG P 10 10.200 16.153 17.669 1.00 1.00 C ATOM 159 CG ARG P 10 10.349 15.129 18.795 1.00 1.00 C ATOM 160 CD ARG P 10 11.376 15.627 19.811 1.00 1.00 C ATOM 161 NE ARG P 10 10.900 16.843 20.455 1.00 1.00 N ATOM 162 CZ ARG P 10 11.676 17.520 21.292 1.00 1.00 C ATOM 163 NH1 ARG P 10 12.884 17.097 21.549 1.00 1.00 N ATOM 164 NH2 ARG P 10 11.231 18.608 21.858 1.00 1.00 N ATOM 0 H ARG P 10 9.745 17.375 15.575 1.00 1.00 H new ATOM 0 HA ARG P 10 9.792 14.626 16.239 1.00 1.00 H new ATOM 0 HB2 ARG P 10 11.181 16.425 17.280 1.00 1.00 H new ATOM 0 HB3 ARG P 10 9.745 17.066 18.052 1.00 1.00 H new ATOM 0 HG2 ARG P 10 9.388 14.969 19.284 1.00 1.00 H new ATOM 0 HG3 ARG P 10 10.663 14.168 18.387 1.00 1.00 H new ATOM 0 HD2 ARG P 10 11.558 14.857 20.561 1.00 1.00 H new ATOM 0 HD3 ARG P 10 12.327 15.819 19.313 1.00 1.00 H new ATOM 0 HE ARG P 10 9.957 17.179 20.260 1.00 1.00 H new ATOM 0 HH11 ARG P 10 13.231 16.246 21.106 1.00 1.00 H new ATOM 0 HH12 ARG P 10 13.480 17.617 22.192 1.00 1.00 H new ATOM 0 HH21 ARG P 10 10.287 18.938 21.657 1.00 1.00 H new ATOM 0 HH22 ARG P 10 11.827 19.129 22.501 1.00 1.00 H new ATOM 178 N SER P 11 7.162 16.396 17.142 1.00 1.00 N ATOM 179 CA SER P 11 5.789 16.285 17.595 1.00 1.00 C ATOM 180 C SER P 11 5.042 15.330 16.676 1.00 1.00 C ATOM 181 O SER P 11 4.014 14.765 17.045 1.00 1.00 O ATOM 182 CB SER P 11 5.109 17.655 17.591 1.00 1.00 C ATOM 183 OG SER P 11 5.922 18.583 18.301 1.00 1.00 O ATOM 0 H SER P 11 7.467 17.344 16.920 1.00 1.00 H new ATOM 0 HA SER P 11 5.776 15.902 18.616 1.00 1.00 H new ATOM 0 HB2 SER P 11 4.957 17.996 16.567 1.00 1.00 H new ATOM 0 HB3 SER P 11 4.125 17.587 18.054 1.00 1.00 H new ATOM 0 HG SER P 11 5.403 19.392 18.494 1.00 1.00 H new ATOM 189 N ALA P 12 5.581 15.157 15.471 1.00 1.00 N ATOM 190 CA ALA P 12 4.977 14.272 14.495 1.00 1.00 C ATOM 191 C ALA P 12 5.186 12.819 14.907 1.00 1.00 C ATOM 192 O ALA P 12 4.304 11.979 14.740 1.00 1.00 O ATOM 193 CB ALA P 12 5.576 14.530 13.097 1.00 1.00 C ATOM 0 H ALA P 12 6.433 15.620 15.154 1.00 1.00 H new ATOM 0 HA ALA P 12 3.906 14.471 14.452 1.00 1.00 H new ATOM 0 HB1 ALA P 12 5.114 13.859 12.373 1.00 1.00 H new ATOM 0 HB2 ALA P 12 5.387 15.563 12.805 1.00 1.00 H new ATOM 0 HB3 ALA P 12 6.651 14.351 13.123 1.00 1.00 H new ATOM 199 N ILE P 13 6.368 12.535 15.442 1.00 1.00 N ATOM 200 CA ILE P 13 6.685 11.174 15.868 1.00 1.00 C ATOM 201 C ILE P 13 5.798 10.760 17.051 1.00 1.00 C ATOM 202 O ILE P 13 5.438 9.591 17.182 1.00 1.00 O ATOM 203 CB ILE P 13 8.208 11.031 16.205 1.00 1.00 C ATOM 204 CG1 ILE P 13 8.713 9.609 15.815 1.00 1.00 C ATOM 205 CG2 ILE P 13 8.480 11.266 17.715 1.00 1.00 C ATOM 206 CD1 ILE P 13 9.075 9.559 14.323 1.00 1.00 C ATOM 0 H ILE P 13 7.113 13.216 15.590 1.00 1.00 H new ATOM 0 HA ILE P 13 6.474 10.495 15.042 1.00 1.00 H new ATOM 0 HB ILE P 13 8.743 11.788 15.631 1.00 1.00 H new ATOM 0 HG12 ILE P 13 9.584 9.348 16.416 1.00 1.00 H new ATOM 0 HG13 ILE P 13 7.942 8.870 16.034 1.00 1.00 H new ATOM 0 HG21 ILE P 13 9.546 11.159 17.914 1.00 1.00 H new ATOM 0 HG22 ILE P 13 8.158 12.270 17.991 1.00 1.00 H new ATOM 0 HG23 ILE P 13 7.926 10.534 18.303 1.00 1.00 H new ATOM 0 HD11 ILE P 13 9.426 8.559 14.067 1.00 1.00 H new ATOM 0 HD12 ILE P 13 8.194 9.798 13.727 1.00 1.00 H new ATOM 0 HD13 ILE P 13 9.862 10.284 14.115 1.00 1.00 H new ATOM 218 N ARG P 14 5.456 11.723 17.907 1.00 1.00 N ATOM 219 CA ARG P 14 4.617 11.427 19.066 1.00 1.00 C ATOM 220 C ARG P 14 3.293 10.831 18.617 1.00 1.00 C ATOM 221 O ARG P 14 2.812 9.847 19.172 1.00 1.00 O ATOM 222 CB ARG P 14 4.376 12.704 19.876 1.00 1.00 C ATOM 223 CG ARG P 14 5.668 13.100 20.589 1.00 1.00 C ATOM 224 CD ARG P 14 5.447 14.387 21.383 1.00 1.00 C ATOM 225 NE ARG P 14 4.432 14.174 22.414 1.00 1.00 N ATOM 226 CZ ARG P 14 4.749 13.688 23.613 1.00 1.00 C ATOM 227 NH1 ARG P 14 5.988 13.386 23.889 1.00 1.00 N ATOM 228 NH2 ARG P 14 3.818 13.514 24.512 1.00 1.00 N ATOM 0 H ARG P 14 5.742 12.699 17.822 1.00 1.00 H new ATOM 0 HA ARG P 14 5.129 10.701 19.697 1.00 1.00 H new ATOM 0 HB2 ARG P 14 4.048 13.509 19.218 1.00 1.00 H new ATOM 0 HB3 ARG P 14 3.580 12.543 20.603 1.00 1.00 H new ATOM 0 HG2 ARG P 14 5.986 12.300 21.257 1.00 1.00 H new ATOM 0 HG3 ARG P 14 6.467 13.243 19.861 1.00 1.00 H new ATOM 0 HD2 ARG P 14 6.383 14.705 21.843 1.00 1.00 H new ATOM 0 HD3 ARG P 14 5.133 15.187 20.713 1.00 1.00 H new ATOM 0 HE ARG P 14 3.459 14.403 22.210 1.00 1.00 H new ATOM 0 HH11 ARG P 14 6.715 13.522 23.186 1.00 1.00 H new ATOM 0 HH12 ARG P 14 6.230 13.014 24.807 1.00 1.00 H new ATOM 0 HH21 ARG P 14 2.850 13.750 24.296 1.00 1.00 H new ATOM 0 HH22 ARG P 14 4.059 13.142 25.431 1.00 1.00 H new ATOM 242 N ARG P 15 2.715 11.448 17.604 1.00 1.00 N ATOM 243 CA ARG P 15 1.435 11.016 17.030 1.00 1.00 C ATOM 244 C ARG P 15 1.398 9.495 16.938 1.00 1.00 C ATOM 245 O ARG P 15 0.330 8.895 16.827 1.00 1.00 O ATOM 246 CB ARG P 15 1.301 11.586 15.623 1.00 1.00 C ATOM 247 CG ARG P 15 1.383 13.101 15.700 1.00 1.00 C ATOM 248 CD ARG P 15 1.342 13.686 14.291 1.00 1.00 C ATOM 249 NE ARG P 15 0.041 13.437 13.682 1.00 1.00 N ATOM 250 CZ ARG P 15 -0.194 13.764 12.417 1.00 1.00 C ATOM 251 NH1 ARG P 15 0.748 14.320 11.705 1.00 1.00 N ATOM 252 NH2 ARG P 15 -1.363 13.528 11.888 1.00 1.00 N ATOM 0 H ARG P 15 3.114 12.268 17.147 1.00 1.00 H new ATOM 0 HA ARG P 15 0.622 11.369 17.664 1.00 1.00 H new ATOM 0 HB2 ARG P 15 2.092 11.197 14.981 1.00 1.00 H new ATOM 0 HB3 ARG P 15 0.353 11.281 15.181 1.00 1.00 H new ATOM 0 HG2 ARG P 15 0.554 13.491 16.291 1.00 1.00 H new ATOM 0 HG3 ARG P 15 2.302 13.401 16.203 1.00 1.00 H new ATOM 0 HD2 ARG P 15 1.535 14.758 14.328 1.00 1.00 H new ATOM 0 HD3 ARG P 15 2.129 13.241 13.681 1.00 1.00 H new ATOM 0 HE ARG P 15 -0.699 13.005 14.236 1.00 1.00 H new ATOM 0 HH11 ARG P 15 1.661 14.502 12.121 1.00 1.00 H new ATOM 0 HH12 ARG P 15 0.571 14.572 10.733 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -2.097 13.092 12.446 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -1.543 13.779 10.916 1.00 1.00 H new ATOM 266 N ALA P 16 2.582 8.871 16.991 1.00 1.00 N ATOM 267 CA ALA P 16 2.691 7.411 16.919 1.00 1.00 C ATOM 268 C ALA P 16 3.409 6.840 18.127 1.00 1.00 C ATOM 269 O ALA P 16 3.500 5.621 18.263 1.00 1.00 O ATOM 270 CB ALA P 16 3.424 6.997 15.647 1.00 1.00 C ATOM 0 H ALA P 16 3.475 9.355 17.083 1.00 1.00 H new ATOM 0 HA ALA P 16 1.678 7.010 16.906 1.00 1.00 H new ATOM 0 HB1 ALA P 16 3.498 5.910 15.607 1.00 1.00 H new ATOM 0 HB2 ALA P 16 2.874 7.356 14.777 1.00 1.00 H new ATOM 0 HB3 ALA P 16 4.425 7.429 15.647 1.00 1.00 H new ATOM 276 N SER P 17 3.912 7.684 19.020 1.00 1.00 N ATOM 277 CA SER P 17 4.593 7.153 20.197 1.00 1.00 C ATOM 278 C SER P 17 3.538 6.643 21.171 1.00 1.00 C ATOM 279 O SER P 17 3.256 5.445 21.222 1.00 1.00 O ATOM 280 CB SER P 17 5.447 8.231 20.870 1.00 1.00 C ATOM 281 OG SER P 17 4.601 9.243 21.401 1.00 1.00 O ATOM 0 H SER P 17 3.866 8.701 18.959 1.00 1.00 H new ATOM 0 HA SER P 17 5.257 6.343 19.896 1.00 1.00 H new ATOM 0 HB2 SER P 17 6.048 7.790 21.665 1.00 1.00 H new ATOM 0 HB3 SER P 17 6.141 8.663 20.149 1.00 1.00 H new ATOM 0 HG SER P 17 3.924 9.486 20.735 1.00 1.00 H new ATOM 287 N THR P 18 2.952 7.561 21.949 1.00 1.00 N ATOM 288 CA THR P 18 1.917 7.229 22.939 1.00 1.00 C ATOM 289 C THR P 18 0.617 7.892 22.517 1.00 1.00 C ATOM 290 O THR P 18 -0.455 7.554 22.984 1.00 1.00 O ATOM 291 CB THR P 18 2.326 7.728 24.329 1.00 1.00 C ATOM 292 OG1 THR P 18 1.175 7.782 25.163 1.00 1.00 O ATOM 293 CG2 THR P 18 2.944 9.120 24.220 1.00 1.00 C ATOM 0 H THR P 18 3.181 8.554 21.911 1.00 1.00 H new ATOM 0 HA THR P 18 1.791 6.147 22.987 1.00 1.00 H new ATOM 0 HB THR P 18 3.060 7.046 24.758 1.00 1.00 H new ATOM 0 HG1 THR P 18 1.431 8.099 26.054 1.00 1.00 H new ATOM 0 HG21 THR P 18 3.232 9.469 25.212 1.00 1.00 H new ATOM 0 HG22 THR P 18 3.825 9.078 23.580 1.00 1.00 H new ATOM 0 HG23 THR P 18 2.216 9.809 23.791 1.00 1.00 H new ATOM 301 N ILE P 19 0.762 8.872 21.648 1.00 1.00 N ATOM 302 CA ILE P 19 -0.390 9.620 21.194 1.00 1.00 C ATOM 303 C ILE P 19 -1.597 8.742 20.886 1.00 1.00 C ATOM 304 O ILE P 19 -1.500 7.653 20.323 1.00 1.00 O ATOM 305 CB ILE P 19 -0.028 10.509 20.033 1.00 1.00 C ATOM 306 CG1 ILE P 19 1.003 11.572 20.508 1.00 1.00 C ATOM 307 CG2 ILE P 19 -1.297 11.183 19.438 1.00 1.00 C ATOM 308 CD1 ILE P 19 0.429 12.516 21.583 1.00 1.00 C ATOM 0 H ILE P 19 1.653 9.165 21.247 1.00 1.00 H new ATOM 0 HA ILE P 19 -0.699 10.254 22.025 1.00 1.00 H new ATOM 0 HB ILE P 19 0.421 9.908 19.242 1.00 1.00 H new ATOM 0 HG12 ILE P 19 1.883 11.067 20.906 1.00 1.00 H new ATOM 0 HG13 ILE P 19 1.333 12.160 19.652 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -1.012 11.820 18.601 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -1.988 10.415 19.090 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -1.782 11.787 20.205 1.00 1.00 H new ATOM 0 HD11 ILE P 19 1.191 13.237 21.878 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -0.434 13.045 21.179 1.00 1.00 H new ATOM 0 HD13 ILE P 19 0.124 11.934 22.453 1.00 1.00 H new ATOM 320 N GLU P 20 -2.729 9.294 21.300 1.00 1.00 N ATOM 321 CA GLU P 20 -4.042 8.704 21.160 1.00 1.00 C ATOM 322 C GLU P 20 -5.082 9.689 21.719 1.00 1.00 C ATOM 323 O GLU P 20 -5.140 10.844 21.297 1.00 1.00 O ATOM 324 CB GLU P 20 -4.070 7.389 21.948 1.00 1.00 C ATOM 325 CG GLU P 20 -3.896 7.623 23.498 1.00 1.00 C ATOM 326 CD GLU P 20 -2.692 6.857 24.053 1.00 1.00 C ATOM 327 OE1 GLU P 20 -2.480 5.737 23.620 1.00 1.00 O ATOM 328 OE2 GLU P 20 -2.004 7.404 24.899 1.00 1.00 O ATOM 0 H GLU P 20 -2.752 10.203 21.761 1.00 1.00 H new ATOM 0 HA GLU P 20 -4.271 8.499 20.114 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -5.014 6.876 21.763 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -3.276 6.735 21.589 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -3.772 8.688 23.694 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -4.800 7.307 24.018 1.00 1.00 H new ATOM 335 N MET P 21 -5.890 9.226 22.671 1.00 1.00 N ATOM 336 CA MET P 21 -6.914 10.077 23.286 1.00 1.00 C ATOM 337 C MET P 21 -7.372 9.498 24.649 1.00 1.00 C ATOM 338 O MET P 21 -7.338 10.211 25.651 1.00 1.00 O ATOM 339 CB MET P 21 -8.121 10.276 22.314 1.00 1.00 C ATOM 340 CG MET P 21 -8.314 11.759 21.931 1.00 1.00 C ATOM 341 SD MET P 21 -9.668 11.898 20.740 1.00 1.00 S ATOM 342 CE MET P 21 -8.681 11.599 19.256 1.00 1.00 C ATOM 0 H MET P 21 -5.858 8.273 23.033 1.00 1.00 H new ATOM 0 HA MET P 21 -6.476 11.056 23.478 1.00 1.00 H new ATOM 0 HB2 MET P 21 -7.961 9.686 21.412 1.00 1.00 H new ATOM 0 HB3 MET P 21 -9.031 9.901 22.783 1.00 1.00 H new ATOM 0 HG2 MET P 21 -8.534 12.350 22.820 1.00 1.00 H new ATOM 0 HG3 MET P 21 -7.395 12.158 21.502 1.00 1.00 H new ATOM 0 HE1 MET P 21 -9.306 11.726 18.372 1.00 1.00 H new ATOM 0 HE2 MET P 21 -7.853 12.307 19.221 1.00 1.00 H new ATOM 0 HE3 MET P 21 -8.288 10.583 19.279 1.00 1.00 H new ATOM 352 N PRO P 22 -7.799 8.249 24.724 1.00 1.00 N ATOM 353 CA PRO P 22 -8.257 7.631 25.994 1.00 1.00 C ATOM 354 C PRO P 22 -7.152 6.810 26.662 1.00 1.00 C ATOM 355 O PRO P 22 -6.548 7.248 27.639 1.00 1.00 O ATOM 356 CB PRO P 22 -9.432 6.744 25.537 1.00 1.00 C ATOM 357 CG PRO P 22 -9.139 6.415 24.076 1.00 1.00 C ATOM 358 CD PRO P 22 -7.910 7.265 23.647 1.00 1.00 C ATOM 0 HA PRO P 22 -8.540 8.365 26.749 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -9.499 5.838 26.139 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -10.383 7.266 25.640 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -8.931 5.352 23.956 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -10.002 6.644 23.450 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -7.009 6.657 23.561 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -8.067 7.742 22.679 1.00 1.00 H new ATOM 366 N GLN P 23 -6.892 5.608 26.128 1.00 1.00 N ATOM 367 CA GLN P 23 -5.856 4.726 26.684 1.00 1.00 C ATOM 368 C GLN P 23 -4.888 4.285 25.590 1.00 1.00 C ATOM 369 O GLN P 23 -4.429 5.100 24.808 1.00 1.00 O ATOM 370 CB GLN P 23 -6.514 3.505 27.336 1.00 1.00 C ATOM 371 CG GLN P 23 -7.394 3.950 28.513 1.00 1.00 C ATOM 372 CD GLN P 23 -6.533 4.556 29.620 1.00 1.00 C ATOM 373 OE1 GLN P 23 -5.682 3.872 30.188 1.00 1.00 O ATOM 374 NE2 GLN P 23 -6.703 5.805 29.962 1.00 1.00 N ATOM 0 H GLN P 23 -7.381 5.226 25.318 1.00 1.00 H new ATOM 0 HA GLN P 23 -5.292 5.274 27.439 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -7.117 2.971 26.602 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -5.749 2.812 27.685 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -8.127 4.681 28.172 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -7.951 3.098 28.902 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -7.408 6.371 29.491 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -6.130 6.214 30.700 1.00 1.00 H new ATOM 383 N GLN P 24 -4.578 2.991 25.534 1.00 1.00 N ATOM 384 CA GLN P 24 -3.664 2.454 24.536 1.00 1.00 C ATOM 385 C GLN P 24 -4.448 1.810 23.414 1.00 1.00 C ATOM 386 O GLN P 24 -3.941 1.682 22.300 1.00 1.00 O ATOM 387 CB GLN P 24 -2.740 1.415 25.183 1.00 1.00 C ATOM 388 CG GLN P 24 -1.810 2.111 26.184 1.00 1.00 C ATOM 389 CD GLN P 24 -0.929 1.088 26.899 1.00 1.00 C ATOM 390 OE1 GLN P 24 -1.439 0.190 27.569 1.00 1.00 O ATOM 391 NE2 GLN P 24 0.372 1.171 26.799 1.00 1.00 N ATOM 0 H GLN P 24 -4.952 2.292 26.176 1.00 1.00 H new ATOM 0 HA GLN P 24 -3.062 3.267 24.131 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -3.331 0.652 25.689 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -2.153 0.907 24.417 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -1.185 2.837 25.664 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -2.401 2.664 26.914 1.00 1.00 H new ATOM 0 HE21 GLN P 24 0.794 1.915 26.244 1.00 1.00 H new ATOM 0 HE22 GLN P 24 0.965 0.492 27.276 1.00 1.00 H new ATOM 400 N ALA P 25 -5.677 1.374 23.696 1.00 1.00 N ATOM 401 CA ALA P 25 -6.485 0.722 22.688 1.00 1.00 C ATOM 402 C ALA P 25 -6.554 1.494 21.402 1.00 1.00 C ATOM 403 O ALA P 25 -6.248 0.961 20.345 1.00 1.00 O ATOM 404 CB ALA P 25 -7.901 0.500 23.222 1.00 1.00 C ATOM 0 H ALA P 25 -6.123 1.464 24.609 1.00 1.00 H new ATOM 0 HA ALA P 25 -6.004 -0.231 22.468 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -8.505 0.009 22.459 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -7.860 -0.128 24.112 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -8.349 1.461 23.476 1.00 1.00 H new ATOM 410 N ARG P 26 -6.952 2.741 21.470 1.00 1.00 N ATOM 411 CA ARG P 26 -7.039 3.516 20.239 1.00 1.00 C ATOM 412 C ARG P 26 -5.743 3.410 19.456 1.00 1.00 C ATOM 413 O ARG P 26 -5.778 3.180 18.248 1.00 1.00 O ATOM 414 CB ARG P 26 -7.389 4.980 20.509 1.00 1.00 C ATOM 415 CG ARG P 26 -8.852 5.109 20.969 1.00 1.00 C ATOM 416 CD ARG P 26 -9.833 5.021 19.784 1.00 1.00 C ATOM 417 NE ARG P 26 -11.169 5.426 20.224 1.00 1.00 N ATOM 418 CZ ARG P 26 -12.023 4.554 20.755 1.00 1.00 C ATOM 419 NH1 ARG P 26 -11.681 3.300 20.891 1.00 1.00 N ATOM 420 NH2 ARG P 26 -13.203 4.953 21.140 1.00 1.00 N ATOM 0 H ARG P 26 -7.213 3.233 22.324 1.00 1.00 H new ATOM 0 HA ARG P 26 -7.848 3.096 19.642 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -6.725 5.384 21.273 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -7.232 5.570 19.606 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -9.078 4.321 21.688 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -8.989 6.060 21.485 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -9.496 5.664 18.971 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -9.860 4.003 19.395 1.00 1.00 H new ATOM 0 HE ARG P 26 -11.453 6.400 20.121 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -10.758 2.988 20.590 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -12.337 2.634 21.298 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -13.470 5.932 21.034 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -13.859 4.286 21.547 1.00 1.00 H new ATOM 434 N GLN P 27 -4.597 3.556 20.111 1.00 1.00 N ATOM 435 CA GLN P 27 -3.343 3.447 19.399 1.00 1.00 C ATOM 436 C GLN P 27 -3.196 2.026 18.857 1.00 1.00 C ATOM 437 O GLN P 27 -2.644 1.827 17.777 1.00 1.00 O ATOM 438 CB GLN P 27 -2.174 3.769 20.341 1.00 1.00 C ATOM 439 CG GLN P 27 -0.841 3.716 19.579 1.00 1.00 C ATOM 440 CD GLN P 27 -0.810 4.794 18.501 1.00 1.00 C ATOM 441 OE1 GLN P 27 -1.298 5.904 18.718 1.00 1.00 O ATOM 442 NE2 GLN P 27 -0.262 4.535 17.346 1.00 1.00 N ATOM 0 H GLN P 27 -4.516 3.746 21.110 1.00 1.00 H new ATOM 0 HA GLN P 27 -3.332 4.157 18.572 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -2.312 4.759 20.777 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -2.157 3.057 21.166 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -0.012 3.859 20.271 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -0.711 2.733 19.125 1.00 1.00 H new ATOM 0 HE21 GLN P 27 0.142 3.615 17.168 1.00 1.00 H new ATOM 0 HE22 GLN P 27 -0.237 5.252 16.621 1.00 1.00 H new ATOM 451 N ASN P 28 -3.689 1.032 19.611 1.00 1.00 N ATOM 452 CA ASN P 28 -3.581 -0.360 19.150 1.00 2.22 C ATOM 453 C ASN P 28 -4.376 -0.583 17.859 1.00 1.00 C ATOM 454 O ASN P 28 -3.868 -1.157 16.897 1.00 1.00 O ATOM 455 CB ASN P 28 -4.069 -1.332 20.228 1.00 1.00 C ATOM 456 CG ASN P 28 -3.144 -1.293 21.444 1.00 1.00 C ATOM 457 OD1 ASN P 28 -3.537 -1.710 22.533 1.00 1.00 O ATOM 458 ND2 ASN P 28 -1.935 -0.816 21.327 1.00 1.00 N ATOM 0 H ASN P 28 -4.151 1.157 20.512 1.00 1.00 H new ATOM 0 HA ASN P 28 -2.527 -0.553 18.948 1.00 2.22 H new ATOM 0 HB2 ASN P 28 -5.084 -1.072 20.528 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -4.105 -2.344 19.824 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -1.317 -0.789 22.138 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -1.608 -0.470 20.425 1.00 1.00 H new ATOM 465 N LEU P 29 -5.621 -0.130 17.844 1.00 1.00 N ATOM 466 CA LEU P 29 -6.473 -0.288 16.660 1.00 2.23 C ATOM 467 C LEU P 29 -5.896 0.527 15.537 1.00 1.00 C ATOM 468 O LEU P 29 -5.876 0.110 14.377 1.00 1.00 O ATOM 469 CB LEU P 29 -7.895 0.208 16.930 1.00 1.00 C ATOM 470 CG LEU P 29 -8.414 -0.417 18.211 1.00 1.00 C ATOM 471 CD1 LEU P 29 -9.796 0.159 18.541 1.00 1.00 C ATOM 472 CD2 LEU P 29 -8.505 -1.947 18.053 1.00 1.00 C ATOM 0 H LEU P 29 -6.067 0.347 18.628 1.00 1.00 H new ATOM 0 HA LEU P 29 -6.511 -1.347 16.403 1.00 2.23 H new ATOM 0 HB2 LEU P 29 -7.903 1.295 17.014 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -8.547 -0.052 16.096 1.00 1.00 H new ATOM 0 HG LEU P 29 -7.726 -0.189 19.025 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -10.167 -0.291 19.462 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -9.719 1.239 18.670 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -10.486 -0.060 17.726 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -8.879 -2.387 18.978 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -9.185 -2.189 17.236 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -7.516 -2.350 17.833 1.00 1.00 H new ATOM 484 N GLN P 30 -5.421 1.704 15.904 1.00 1.00 N ATOM 485 CA GLN P 30 -4.830 2.596 14.925 1.00 2.96 C ATOM 486 C GLN P 30 -3.494 2.049 14.460 1.00 1.00 C ATOM 487 O GLN P 30 -3.066 2.306 13.340 1.00 1.00 O ATOM 488 CB GLN P 30 -4.659 4.004 15.493 1.00 1.00 C ATOM 489 CG GLN P 30 -6.029 4.666 15.648 1.00 1.00 C ATOM 490 CD GLN P 30 -5.878 6.025 16.324 1.00 1.00 C ATOM 491 OE1 GLN P 30 -5.052 6.186 17.223 1.00 1.00 O ATOM 492 NE2 GLN P 30 -6.631 7.022 15.942 1.00 1.00 N ATOM 0 H GLN P 30 -5.432 2.060 16.860 1.00 1.00 H new ATOM 0 HA GLN P 30 -5.505 2.658 14.071 1.00 2.96 H new ATOM 0 HB2 GLN P 30 -4.155 3.959 16.458 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -4.029 4.599 14.832 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -6.496 4.787 14.671 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -6.686 4.028 16.239 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -7.315 6.888 15.197 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -6.535 7.934 16.388 1.00 1.00 H new ATOM 501 N ASN P 31 -2.833 1.283 15.319 1.00 1.00 N ATOM 502 CA ASN P 31 -1.547 0.710 14.955 1.00 2.39 C ATOM 503 C ASN P 31 -1.749 -0.243 13.795 1.00 1.00 C ATOM 504 O ASN P 31 -0.953 -0.290 12.865 1.00 1.00 O ATOM 505 CB ASN P 31 -0.932 -0.032 16.140 1.00 1.00 C ATOM 506 CG ASN P 31 0.404 -0.638 15.735 1.00 1.00 C ATOM 507 OD1 ASN P 31 1.136 -0.052 14.939 1.00 1.00 O ATOM 508 ND2 ASN P 31 0.765 -1.784 16.239 1.00 1.00 N ATOM 0 H ASN P 31 -3.160 1.048 16.256 1.00 1.00 H new ATOM 0 HA ASN P 31 -0.865 1.510 14.666 1.00 2.39 H new ATOM 0 HB2 ASN P 31 -0.792 0.653 16.976 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -1.609 -0.816 16.480 1.00 1.00 H new ATOM 0 HD21 ASN P 31 1.658 -2.199 15.974 1.00 1.00 H new ATOM 0 HD22 ASN P 31 0.154 -2.266 16.899 1.00 1.00 H new ATOM 515 N LEU P 32 -2.831 -0.998 13.868 1.00 1.00 N ATOM 516 CA LEU P 32 -3.160 -1.953 12.835 1.00 2.16 C ATOM 517 C LEU P 32 -3.422 -1.210 11.544 1.00 1.00 C ATOM 518 O LEU P 32 -2.973 -1.624 10.493 1.00 1.00 O ATOM 519 CB LEU P 32 -4.395 -2.769 13.235 1.00 1.00 C ATOM 520 CG LEU P 32 -4.063 -3.701 14.411 1.00 1.00 C ATOM 521 CD1 LEU P 32 -5.366 -4.287 14.968 1.00 1.00 C ATOM 522 CD2 LEU P 32 -3.124 -4.848 13.954 1.00 1.00 C ATOM 0 H LEU P 32 -3.498 -0.964 14.639 1.00 1.00 H new ATOM 0 HA LEU P 32 -2.326 -2.642 12.699 1.00 2.16 H new ATOM 0 HB2 LEU P 32 -5.208 -2.098 13.513 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -4.742 -3.356 12.385 1.00 1.00 H new ATOM 0 HG LEU P 32 -3.551 -3.129 15.185 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -5.139 -4.950 15.803 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.011 -3.478 15.311 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -5.875 -4.850 14.186 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -2.902 -5.496 14.802 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -3.613 -5.429 13.172 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -2.197 -4.426 13.567 1.00 1.00 H new ATOM 534 N PHE P 33 -4.147 -0.105 11.636 1.00 1.00 N ATOM 535 CA PHE P 33 -4.448 0.688 10.449 1.00 2.53 C ATOM 536 C PHE P 33 -3.148 1.226 9.864 1.00 1.00 C ATOM 537 O PHE P 33 -2.888 1.115 8.666 1.00 1.00 O ATOM 538 CB PHE P 33 -5.370 1.854 10.814 1.00 1.00 C ATOM 539 CG PHE P 33 -5.682 2.669 9.577 1.00 1.00 C ATOM 540 CD1 PHE P 33 -6.585 2.180 8.623 1.00 1.00 C ATOM 541 CD2 PHE P 33 -5.068 3.914 9.383 1.00 1.00 C ATOM 542 CE1 PHE P 33 -6.873 2.937 7.479 1.00 1.00 C ATOM 543 CE2 PHE P 33 -5.357 4.669 8.240 1.00 1.00 C ATOM 544 CZ PHE P 33 -6.258 4.181 7.289 1.00 1.00 C ATOM 0 H PHE P 33 -4.534 0.261 12.506 1.00 1.00 H new ATOM 0 HA PHE P 33 -4.951 0.060 9.714 1.00 2.53 H new ATOM 0 HB2 PHE P 33 -6.293 1.476 11.254 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -4.894 2.484 11.565 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -7.059 1.220 8.769 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -4.371 4.291 10.116 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -7.569 2.561 6.744 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -4.884 5.629 8.093 1.00 1.00 H new ATOM 0 HZ PHE P 33 -6.480 4.764 6.407 1.00 1.00 H new ATOM 554 N ILE P 34 -2.337 1.810 10.735 1.00 1.00 N ATOM 555 CA ILE P 34 -1.060 2.367 10.308 1.00 2.57 C ATOM 556 C ILE P 34 -0.161 1.253 9.778 1.00 1.00 C ATOM 557 O ILE P 34 0.454 1.396 8.725 1.00 1.00 O ATOM 558 CB ILE P 34 -0.377 3.100 11.473 1.00 1.00 C ATOM 559 CG1 ILE P 34 -1.170 4.375 11.843 1.00 1.00 C ATOM 560 CG2 ILE P 34 1.068 3.471 11.107 1.00 1.00 C ATOM 561 CD1 ILE P 34 -1.269 5.364 10.663 1.00 1.00 C ATOM 0 H ILE P 34 -2.536 1.910 11.730 1.00 1.00 H new ATOM 0 HA ILE P 34 -1.238 3.087 9.509 1.00 2.57 H new ATOM 0 HB ILE P 34 -0.358 2.431 12.333 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -2.173 4.096 12.166 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -0.689 4.867 12.688 1.00 1.00 H new ATOM 0 HG21 ILE P 34 1.534 3.989 11.945 1.00 1.00 H new ATOM 0 HG22 ILE P 34 1.631 2.565 10.883 1.00 1.00 H new ATOM 0 HG23 ILE P 34 1.066 4.123 10.233 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -1.835 6.243 10.972 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -0.268 5.666 10.356 1.00 1.00 H new ATOM 0 HD13 ILE P 34 -1.775 4.882 9.826 1.00 1.00 H new ATOM 573 N ASN P 35 -0.095 0.142 10.503 1.00 1.00 N ATOM 574 CA ASN P 35 0.726 -0.977 10.078 1.00 2.61 C ATOM 575 C ASN P 35 0.139 -1.555 8.809 1.00 1.00 C ATOM 576 O ASN P 35 0.852 -1.862 7.854 1.00 1.00 O ATOM 577 CB ASN P 35 0.777 -2.049 11.175 1.00 1.00 C ATOM 578 CG ASN P 35 1.733 -1.622 12.284 1.00 1.00 C ATOM 579 OD1 ASN P 35 2.562 -0.735 12.084 1.00 1.00 O ATOM 580 ND2 ASN P 35 1.666 -2.209 13.448 1.00 1.00 N ATOM 0 H ASN P 35 -0.596 -0.004 11.379 1.00 1.00 H new ATOM 0 HA ASN P 35 1.744 -0.635 9.891 1.00 2.61 H new ATOM 0 HB2 ASN P 35 -0.220 -2.208 11.585 1.00 1.00 H new ATOM 0 HB3 ASN P 35 1.102 -2.999 10.751 1.00 1.00 H new ATOM 0 HD21 ASN P 35 2.302 -1.933 14.196 1.00 1.00 H new ATOM 0 HD22 ASN P 35 0.977 -2.944 13.610 1.00 1.00 H new ATOM 587 N PHE P 36 -1.174 -1.707 8.820 1.00 1.00 N ATOM 588 CA PHE P 36 -1.885 -2.261 7.674 1.00 2.53 C ATOM 589 C PHE P 36 -1.837 -1.336 6.468 1.00 1.00 C ATOM 590 O PHE P 36 -1.804 -1.795 5.324 1.00 1.00 O ATOM 591 CB PHE P 36 -3.344 -2.550 8.035 1.00 1.00 C ATOM 592 CG PHE P 36 -4.063 -3.143 6.841 1.00 1.00 C ATOM 593 CD1 PHE P 36 -3.733 -4.430 6.397 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.058 -2.409 6.177 1.00 1.00 C ATOM 595 CE1 PHE P 36 -4.395 -4.984 5.294 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.719 -2.965 5.075 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.388 -4.251 4.634 1.00 1.00 C ATOM 0 H PHE P 36 -1.772 -1.456 9.608 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.381 -3.190 7.408 1.00 2.53 H new ATOM 0 HB2 PHE P 36 -3.389 -3.240 8.877 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -3.839 -1.631 8.349 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -2.967 -4.996 6.906 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.314 -1.416 6.516 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -4.139 -5.976 4.953 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.485 -2.401 4.565 1.00 1.00 H new ATOM 0 HZ PHE P 36 -5.899 -4.678 3.784 1.00 1.00 H new ATOM 607 N ALA P 37 -1.826 -0.037 6.718 1.00 1.00 N ATOM 608 CA ALA P 37 -1.774 0.929 5.635 1.00 1.93 C ATOM 609 C ALA P 37 -0.372 0.947 5.043 1.00 1.00 C ATOM 610 O ALA P 37 -0.192 1.112 3.841 1.00 1.00 O ATOM 611 CB ALA P 37 -2.147 2.321 6.148 1.00 1.00 C ATOM 0 H ALA P 37 -1.852 0.370 7.653 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.489 0.643 4.864 1.00 1.93 H new ATOM 0 HB1 ALA P 37 -2.104 3.035 5.326 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -3.157 2.299 6.557 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.446 2.622 6.927 1.00 1.00 H new ATOM 617 N LEU P 38 0.613 0.769 5.912 1.00 1.00 N ATOM 618 CA LEU P 38 2.007 0.759 5.489 1.00 1.97 C ATOM 619 C LEU P 38 2.256 -0.402 4.530 1.00 1.00 C ATOM 620 O LEU P 38 3.000 -0.262 3.559 1.00 1.00 O ATOM 621 CB LEU P 38 2.938 0.650 6.712 1.00 1.00 C ATOM 622 CG LEU P 38 3.093 2.022 7.399 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.665 1.821 8.807 1.00 1.00 C ATOM 624 CD2 LEU P 38 4.043 2.943 6.592 1.00 1.00 C ATOM 0 H LEU P 38 0.474 0.630 6.913 1.00 1.00 H new ATOM 0 HA LEU P 38 2.222 1.694 4.972 1.00 1.97 H new ATOM 0 HB2 LEU P 38 2.534 -0.074 7.420 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.915 0.281 6.401 1.00 1.00 H new ATOM 0 HG LEU P 38 2.112 2.494 7.452 1.00 1.00 H new ATOM 0 HD11 LEU P 38 3.776 2.789 9.296 1.00 1.00 H new ATOM 0 HD12 LEU P 38 2.988 1.196 9.389 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.638 1.335 8.738 1.00 1.00 H new ATOM 0 HD21 LEU P 38 4.135 3.904 7.098 1.00 1.00 H new ATOM 0 HD22 LEU P 38 5.025 2.477 6.518 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.638 3.097 5.592 1.00 1.00 H new ATOM 636 N ILE P 39 1.629 -1.543 4.796 1.00 1.00 N ATOM 637 CA ILE P 39 1.802 -2.698 3.928 1.00 2.90 C ATOM 638 C ILE P 39 1.204 -2.384 2.559 1.00 1.00 C ATOM 639 O ILE P 39 1.807 -2.662 1.524 1.00 1.00 O ATOM 640 CB ILE P 39 1.107 -3.920 4.536 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.840 -4.330 5.815 1.00 1.00 C ATOM 642 CG2 ILE P 39 1.134 -5.085 3.541 1.00 1.00 C ATOM 643 CD1 ILE P 39 1.008 -5.363 6.578 1.00 1.00 C ATOM 0 H ILE P 39 1.008 -1.691 5.591 1.00 1.00 H new ATOM 0 HA ILE P 39 2.864 -2.920 3.822 1.00 2.90 H new ATOM 0 HB ILE P 39 0.071 -3.669 4.765 1.00 1.00 H new ATOM 0 HG12 ILE P 39 2.817 -4.746 5.568 1.00 1.00 H new ATOM 0 HG13 ILE P 39 2.015 -3.455 6.442 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.638 -5.950 3.980 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.616 -4.795 2.627 1.00 1.00 H new ATOM 0 HG23 ILE P 39 2.168 -5.340 3.307 1.00 1.00 H new ATOM 0 HD11 ILE P 39 1.533 -5.653 7.488 1.00 1.00 H new ATOM 0 HD12 ILE P 39 0.042 -4.931 6.838 1.00 1.00 H new ATOM 0 HD13 ILE P 39 0.856 -6.242 5.952 1.00 1.00 H new ATOM 655 N LEU P 40 0.009 -1.797 2.574 1.00 1.00 N ATOM 656 CA LEU P 40 -0.664 -1.442 1.328 1.00 2.67 C ATOM 657 C LEU P 40 0.126 -0.354 0.604 1.00 1.00 C ATOM 658 O LEU P 40 0.373 -0.441 -0.596 1.00 1.00 O ATOM 659 CB LEU P 40 -2.088 -0.945 1.606 1.00 1.00 C ATOM 660 CG LEU P 40 -2.965 -2.095 2.131 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.323 -1.534 2.585 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.177 -3.164 1.026 1.00 1.00 C ATOM 0 H LEU P 40 -0.506 -1.560 3.422 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.720 -2.331 0.700 1.00 2.67 H new ATOM 0 HB2 LEU P 40 -2.062 -0.137 2.337 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.522 -0.536 0.694 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.464 -2.567 2.976 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -4.946 -2.347 2.957 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -4.168 -0.803 3.378 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -4.819 -1.054 1.741 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -3.799 -3.970 1.414 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.669 -2.707 0.167 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.212 -3.567 0.719 1.00 1.00 H new ATOM 674 N ILE P 41 0.510 0.668 1.354 1.00 1.00 N ATOM 675 CA ILE P 41 1.259 1.769 0.791 1.00 1.88 C ATOM 676 C ILE P 41 2.594 1.275 0.233 1.00 1.00 C ATOM 677 O ILE P 41 2.970 1.625 -0.882 1.00 1.00 O ATOM 678 CB ILE P 41 1.466 2.834 1.873 1.00 1.00 C ATOM 679 CG1 ILE P 41 0.125 3.520 2.170 1.00 1.00 C ATOM 680 CG2 ILE P 41 2.474 3.874 1.403 1.00 1.00 C ATOM 681 CD1 ILE P 41 0.230 4.304 3.479 1.00 1.00 C ATOM 0 H ILE P 41 0.313 0.753 2.351 1.00 1.00 H new ATOM 0 HA ILE P 41 0.704 2.210 -0.037 1.00 1.88 H new ATOM 0 HB ILE P 41 1.847 2.356 2.776 1.00 1.00 H new ATOM 0 HG12 ILE P 41 -0.141 4.191 1.353 1.00 1.00 H new ATOM 0 HG13 ILE P 41 -0.668 2.776 2.243 1.00 1.00 H new ATOM 0 HG21 ILE P 41 2.612 4.625 2.181 1.00 1.00 H new ATOM 0 HG22 ILE P 41 3.427 3.388 1.194 1.00 1.00 H new ATOM 0 HG23 ILE P 41 2.105 4.354 0.497 1.00 1.00 H new ATOM 0 HD11 ILE P 41 -0.722 4.791 3.689 1.00 1.00 H new ATOM 0 HD12 ILE P 41 0.476 3.622 4.293 1.00 1.00 H new ATOM 0 HD13 ILE P 41 1.011 5.059 3.389 1.00 1.00 H new ATOM 693 N PHE P 42 3.302 0.465 1.004 1.00 1.00 N ATOM 694 CA PHE P 42 4.590 -0.059 0.557 1.00 2.34 C ATOM 695 C PHE P 42 4.441 -0.830 -0.753 1.00 1.00 C ATOM 696 O PHE P 42 5.235 -0.662 -1.678 1.00 1.00 O ATOM 697 CB PHE P 42 5.177 -0.973 1.633 1.00 1.00 C ATOM 698 CG PHE P 42 6.498 -1.539 1.156 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.602 -0.691 1.000 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.620 -2.906 0.872 1.00 1.00 C ATOM 701 CE1 PHE P 42 8.827 -1.210 0.560 1.00 1.00 C ATOM 702 CE2 PHE P 42 7.844 -3.423 0.432 1.00 1.00 C ATOM 703 CZ PHE P 42 8.947 -2.576 0.276 1.00 1.00 C ATOM 0 H PHE P 42 3.014 0.157 1.933 1.00 1.00 H new ATOM 0 HA PHE P 42 5.263 0.781 0.385 1.00 2.34 H new ATOM 0 HB2 PHE P 42 5.322 -0.415 2.558 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.482 -1.783 1.855 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.509 0.363 1.219 1.00 1.00 H new ATOM 0 HD2 PHE P 42 5.769 -3.561 0.993 1.00 1.00 H new ATOM 0 HE1 PHE P 42 9.678 -0.557 0.440 1.00 1.00 H new ATOM 0 HE2 PHE P 42 7.937 -4.476 0.213 1.00 1.00 H new ATOM 0 HZ PHE P 42 9.891 -2.976 -0.064 1.00 1.00 H new ATOM 713 N LEU P 43 3.421 -1.675 -0.823 1.00 1.00 N ATOM 714 CA LEU P 43 3.169 -2.471 -2.020 1.00 2.49 C ATOM 715 C LEU P 43 2.834 -1.573 -3.208 1.00 1.00 C ATOM 716 O LEU P 43 3.278 -1.824 -4.329 1.00 1.00 O ATOM 717 CB LEU P 43 2.014 -3.449 -1.770 1.00 1.00 C ATOM 718 CG LEU P 43 2.439 -4.555 -0.787 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.190 -5.287 -0.282 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.383 -5.573 -1.473 1.00 1.00 C ATOM 0 H LEU P 43 2.754 -1.828 -0.066 1.00 1.00 H new ATOM 0 HA LEU P 43 4.074 -3.032 -2.252 1.00 2.49 H new ATOM 0 HB2 LEU P 43 1.155 -2.910 -1.370 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.699 -3.896 -2.713 1.00 1.00 H new ATOM 0 HG LEU P 43 2.971 -4.094 0.045 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.485 -6.072 0.415 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.534 -4.580 0.225 1.00 1.00 H new ATOM 0 HD13 LEU P 43 0.662 -5.731 -1.126 1.00 1.00 H new ATOM 0 HD21 LEU P 43 3.669 -6.344 -0.757 1.00 1.00 H new ATOM 0 HD22 LEU P 43 2.870 -6.034 -2.317 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.276 -5.059 -1.828 1.00 1.00 H new ATOM 732 N LEU P 44 2.056 -0.528 -2.958 1.00 1.00 N ATOM 733 CA LEU P 44 1.680 0.397 -4.019 1.00 2.14 C ATOM 734 C LEU P 44 2.913 1.104 -4.565 1.00 1.00 C ATOM 735 O LEU P 44 3.025 1.335 -5.769 1.00 1.00 O ATOM 736 CB LEU P 44 0.674 1.432 -3.500 1.00 1.00 C ATOM 737 CG LEU P 44 -0.703 0.784 -3.271 1.00 1.00 C ATOM 738 CD1 LEU P 44 -1.568 1.733 -2.436 1.00 1.00 C ATOM 739 CD2 LEU P 44 -1.412 0.497 -4.620 1.00 1.00 C ATOM 0 H LEU P 44 1.676 -0.301 -2.039 1.00 1.00 H new ATOM 0 HA LEU P 44 1.213 -0.174 -4.821 1.00 2.14 H new ATOM 0 HB2 LEU P 44 1.038 1.864 -2.568 1.00 1.00 H new ATOM 0 HB3 LEU P 44 0.583 2.249 -4.216 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.562 -0.162 -2.748 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.546 1.282 -2.269 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -1.084 1.917 -1.477 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -1.690 2.677 -2.968 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -2.383 0.039 -4.431 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -1.551 1.431 -5.164 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.801 -0.182 -5.215 1.00 1.00 H new ATOM 751 N LEU P 45 3.839 1.444 -3.675 1.00 1.00 N ATOM 752 CA LEU P 45 5.060 2.124 -4.098 1.00 2.38 C ATOM 753 C LEU P 45 5.873 1.221 -5.027 1.00 1.00 C ATOM 754 O LEU P 45 6.444 1.687 -6.004 1.00 1.00 O ATOM 755 CB LEU P 45 5.915 2.575 -2.877 1.00 1.00 C ATOM 756 CG LEU P 45 5.534 3.996 -2.409 1.00 1.00 C ATOM 757 CD1 LEU P 45 4.148 4.000 -1.758 1.00 1.00 C ATOM 758 CD2 LEU P 45 6.574 4.477 -1.391 1.00 1.00 C ATOM 0 H LEU P 45 3.772 1.264 -2.673 1.00 1.00 H new ATOM 0 HA LEU P 45 4.774 3.022 -4.645 1.00 2.38 H new ATOM 0 HB2 LEU P 45 5.777 1.872 -2.056 1.00 1.00 H new ATOM 0 HB3 LEU P 45 6.972 2.550 -3.143 1.00 1.00 H new ATOM 0 HG LEU P 45 5.512 4.660 -3.273 1.00 1.00 H new ATOM 0 HD11 LEU P 45 3.900 5.011 -1.436 1.00 1.00 H new ATOM 0 HD12 LEU P 45 3.406 3.657 -2.479 1.00 1.00 H new ATOM 0 HD13 LEU P 45 4.150 3.334 -0.895 1.00 1.00 H new ATOM 0 HD21 LEU P 45 6.315 5.480 -1.053 1.00 1.00 H new ATOM 0 HD22 LEU P 45 6.588 3.799 -0.538 1.00 1.00 H new ATOM 0 HD23 LEU P 45 7.559 4.494 -1.858 1.00 1.00 H new ATOM 770 N ILE P 46 5.919 -0.061 -4.728 1.00 1.00 N ATOM 771 CA ILE P 46 6.661 -0.983 -5.561 1.00 2.25 C ATOM 772 C ILE P 46 6.028 -1.030 -6.951 1.00 1.00 C ATOM 773 O ILE P 46 6.717 -1.011 -7.967 1.00 1.00 O ATOM 774 CB ILE P 46 6.643 -2.369 -4.913 1.00 1.00 C ATOM 775 CG1 ILE P 46 7.474 -2.339 -3.624 1.00 1.00 C ATOM 776 CG2 ILE P 46 7.236 -3.393 -5.872 1.00 1.00 C ATOM 777 CD1 ILE P 46 7.255 -3.630 -2.825 1.00 1.00 C ATOM 0 H ILE P 46 5.457 -0.484 -3.923 1.00 1.00 H new ATOM 0 HA ILE P 46 7.695 -0.653 -5.660 1.00 2.25 H new ATOM 0 HB ILE P 46 5.614 -2.645 -4.681 1.00 1.00 H new ATOM 0 HG12 ILE P 46 8.531 -2.227 -3.866 1.00 1.00 H new ATOM 0 HG13 ILE P 46 7.192 -1.476 -3.020 1.00 1.00 H new ATOM 0 HG21 ILE P 46 7.221 -4.379 -5.407 1.00 1.00 H new ATOM 0 HG22 ILE P 46 6.648 -3.416 -6.789 1.00 1.00 H new ATOM 0 HG23 ILE P 46 8.264 -3.118 -6.107 1.00 1.00 H new ATOM 0 HD11 ILE P 46 7.850 -3.598 -1.912 1.00 1.00 H new ATOM 0 HD12 ILE P 46 6.200 -3.724 -2.568 1.00 1.00 H new ATOM 0 HD13 ILE P 46 7.560 -4.486 -3.427 1.00 1.00 H new ATOM 789 N ALA P 47 4.705 -1.092 -6.972 1.00 1.00 N ATOM 790 CA ALA P 47 3.967 -1.143 -8.228 1.00 2.02 C ATOM 791 C ALA P 47 4.176 0.129 -9.059 1.00 1.00 C ATOM 792 O ALA P 47 4.484 0.055 -10.248 1.00 1.00 O ATOM 793 CB ALA P 47 2.476 -1.334 -7.943 1.00 1.00 C ATOM 0 H ALA P 47 4.120 -1.108 -6.136 1.00 1.00 H new ATOM 0 HA ALA P 47 4.346 -1.986 -8.805 1.00 2.02 H new ATOM 0 HB1 ALA P 47 1.928 -1.372 -8.884 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.326 -2.266 -7.398 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.111 -0.500 -7.343 1.00 1.00 H new ATOM 799 N ILE P 48 4.001 1.291 -8.434 1.00 1.00 N ATOM 800 CA ILE P 48 4.168 2.564 -9.141 1.00 3.15 C ATOM 801 C ILE P 48 5.612 2.753 -9.623 1.00 1.00 C ATOM 802 O ILE P 48 5.841 3.161 -10.762 1.00 1.00 O ATOM 803 CB ILE P 48 3.769 3.721 -8.213 1.00 1.00 C ATOM 804 CG1 ILE P 48 2.254 3.659 -7.896 1.00 1.00 C ATOM 805 CG2 ILE P 48 4.118 5.071 -8.851 1.00 1.00 C ATOM 806 CD1 ILE P 48 1.390 3.735 -9.169 1.00 1.00 C ATOM 0 H ILE P 48 3.746 1.381 -7.450 1.00 1.00 H new ATOM 0 HA ILE P 48 3.523 2.555 -10.019 1.00 3.15 H new ATOM 0 HB ILE P 48 4.329 3.622 -7.283 1.00 1.00 H new ATOM 0 HG12 ILE P 48 2.033 2.734 -7.364 1.00 1.00 H new ATOM 0 HG13 ILE P 48 1.990 4.480 -7.230 1.00 1.00 H new ATOM 0 HG21 ILE P 48 3.827 5.878 -8.178 1.00 1.00 H new ATOM 0 HG22 ILE P 48 5.191 5.120 -9.034 1.00 1.00 H new ATOM 0 HG23 ILE P 48 3.584 5.176 -9.795 1.00 1.00 H new ATOM 0 HD11 ILE P 48 0.336 3.688 -8.896 1.00 1.00 H new ATOM 0 HD12 ILE P 48 1.589 4.672 -9.688 1.00 1.00 H new ATOM 0 HD13 ILE P 48 1.633 2.899 -9.824 1.00 1.00 H new ATOM 818 N ILE P 49 6.574 2.455 -8.761 1.00 1.00 N ATOM 819 CA ILE P 49 7.981 2.602 -9.131 1.00 1.00 C ATOM 820 C ILE P 49 8.345 1.610 -10.229 1.00 1.00 C ATOM 821 O ILE P 49 9.021 1.957 -11.197 1.00 1.00 O ATOM 822 CB ILE P 49 8.879 2.389 -7.908 1.00 1.00 C ATOM 823 CG1 ILE P 49 8.689 3.541 -6.891 1.00 1.00 C ATOM 824 CG2 ILE P 49 10.356 2.294 -8.322 1.00 1.00 C ATOM 825 CD1 ILE P 49 9.058 4.911 -7.488 1.00 1.00 C ATOM 0 H ILE P 49 6.414 2.114 -7.813 1.00 1.00 H new ATOM 0 HA ILE P 49 8.137 3.613 -9.507 1.00 1.00 H new ATOM 0 HB ILE P 49 8.590 1.449 -7.438 1.00 1.00 H new ATOM 0 HG12 ILE P 49 7.652 3.560 -6.556 1.00 1.00 H new ATOM 0 HG13 ILE P 49 9.305 3.352 -6.012 1.00 1.00 H new ATOM 0 HG21 ILE P 49 10.973 2.143 -7.436 1.00 1.00 H new ATOM 0 HG22 ILE P 49 10.489 1.455 -9.005 1.00 1.00 H new ATOM 0 HG23 ILE P 49 10.655 3.217 -8.819 1.00 1.00 H new ATOM 0 HD11 ILE P 49 8.908 5.687 -6.737 1.00 1.00 H new ATOM 0 HD12 ILE P 49 10.103 4.903 -7.799 1.00 1.00 H new ATOM 0 HD13 ILE P 49 8.424 5.114 -8.351 1.00 1.00 H new ATOM 837 N VAL P 50 7.894 0.377 -10.073 1.00 1.00 N ATOM 838 CA VAL P 50 8.181 -0.648 -11.064 1.00 1.00 C ATOM 839 C VAL P 50 7.542 -0.254 -12.390 1.00 1.00 C ATOM 840 O VAL P 50 8.171 -0.334 -13.444 1.00 1.00 O ATOM 841 CB VAL P 50 7.660 -2.012 -10.581 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.682 -3.026 -11.732 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.559 -2.524 -9.442 1.00 1.00 C ATOM 0 H VAL P 50 7.334 0.063 -9.280 1.00 1.00 H new ATOM 0 HA VAL P 50 9.258 -0.734 -11.205 1.00 1.00 H new ATOM 0 HB VAL P 50 6.636 -1.895 -10.227 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.311 -3.987 -11.377 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.048 -2.669 -12.543 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.703 -3.143 -12.095 1.00 1.00 H new ATOM 0 HG21 VAL P 50 8.193 -3.491 -9.096 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.581 -2.631 -9.805 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.540 -1.813 -8.616 1.00 1.00 H new ATOM 853 N MET P 51 6.288 0.178 -12.324 1.00 1.00 N ATOM 854 CA MET P 51 5.573 0.589 -13.519 1.00 1.00 C ATOM 855 C MET P 51 6.164 1.888 -14.063 1.00 1.00 C ATOM 856 O MET P 51 6.079 2.156 -15.261 1.00 1.00 O ATOM 857 CB MET P 51 4.077 0.780 -13.221 1.00 1.00 C ATOM 858 CG MET P 51 3.376 -0.583 -13.128 1.00 1.00 C ATOM 859 SD MET P 51 1.584 -0.338 -13.007 1.00 1.00 S ATOM 860 CE MET P 51 1.531 0.309 -11.320 1.00 1.00 C ATOM 0 H MET P 51 5.751 0.251 -11.460 1.00 1.00 H new ATOM 0 HA MET P 51 5.679 -0.195 -14.268 1.00 1.00 H new ATOM 0 HB2 MET P 51 3.952 1.326 -12.286 1.00 1.00 H new ATOM 0 HB3 MET P 51 3.616 1.381 -14.005 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.612 -1.185 -14.005 1.00 1.00 H new ATOM 0 HG3 MET P 51 3.738 -1.131 -12.258 1.00 1.00 H new ATOM 0 HE1 MET P 51 0.495 0.377 -10.989 1.00 1.00 H new ATOM 0 HE2 MET P 51 2.081 -0.359 -10.657 1.00 1.00 H new ATOM 0 HE3 MET P 51 1.985 1.299 -11.296 1.00 1.00 H new ATOM 870 N LEU P 52 6.759 2.700 -13.185 1.00 1.00 N ATOM 871 CA LEU P 52 7.342 3.965 -13.627 1.00 1.00 C ATOM 872 C LEU P 52 8.426 3.724 -14.671 1.00 1.00 C ATOM 873 O LEU P 52 8.536 4.472 -15.642 1.00 1.00 O ATOM 874 CB LEU P 52 7.928 4.731 -12.433 1.00 1.00 C ATOM 875 CG LEU P 52 8.485 6.098 -12.877 1.00 1.00 C ATOM 876 CD1 LEU P 52 7.369 6.970 -13.491 1.00 1.00 C ATOM 877 CD2 LEU P 52 9.079 6.803 -11.650 1.00 1.00 C ATOM 0 H LEU P 52 6.848 2.509 -12.187 1.00 1.00 H new ATOM 0 HA LEU P 52 6.550 4.563 -14.078 1.00 1.00 H new ATOM 0 HB2 LEU P 52 7.158 4.876 -11.675 1.00 1.00 H new ATOM 0 HB3 LEU P 52 8.721 4.143 -11.972 1.00 1.00 H new ATOM 0 HG LEU P 52 9.252 5.947 -13.636 1.00 1.00 H new ATOM 0 HD11 LEU P 52 7.784 7.930 -13.797 1.00 1.00 H new ATOM 0 HD12 LEU P 52 6.948 6.463 -14.359 1.00 1.00 H new ATOM 0 HD13 LEU P 52 6.586 7.133 -12.751 1.00 1.00 H new ATOM 0 HD21 LEU P 52 9.478 7.773 -11.946 1.00 1.00 H new ATOM 0 HD22 LEU P 52 8.301 6.944 -10.900 1.00 1.00 H new ATOM 0 HD23 LEU P 52 9.880 6.193 -11.232 1.00 1.00 H new ATOM 889 N LEU P 53 9.219 2.685 -14.470 1.00 1.00 N ATOM 890 CA LEU P 53 10.289 2.366 -15.411 1.00 1.00 C ATOM 891 C LEU P 53 9.711 2.071 -16.791 1.00 1.00 C ATOM 892 O LEU P 53 9.361 0.927 -17.033 1.00 1.00 O ATOM 893 CB LEU P 53 11.076 1.148 -14.917 1.00 1.00 C ATOM 894 CG LEU P 53 11.590 1.390 -13.493 1.00 1.00 C ATOM 895 CD1 LEU P 53 12.296 0.125 -12.994 1.00 1.00 C ATOM 896 CD2 LEU P 53 12.581 2.574 -13.481 1.00 1.00 C ATOM 897 OXT LEU P 53 9.629 2.993 -17.585 1.00 1.00 O ATOM 0 H LEU P 53 9.147 2.052 -13.674 1.00 1.00 H new ATOM 0 HA LEU P 53 10.956 3.225 -15.480 1.00 1.00 H new ATOM 0 HB2 LEU P 53 10.440 0.263 -14.936 1.00 1.00 H new ATOM 0 HB3 LEU P 53 11.914 0.952 -15.585 1.00 1.00 H new ATOM 0 HG LEU P 53 10.749 1.627 -12.841 1.00 1.00 H new ATOM 0 HD11 LEU P 53 12.665 0.289 -11.981 1.00 1.00 H new ATOM 0 HD12 LEU P 53 11.593 -0.708 -12.994 1.00 1.00 H new ATOM 0 HD13 LEU P 53 13.134 -0.108 -13.652 1.00 1.00 H new ATOM 0 HD21 LEU P 53 12.940 2.738 -12.465 1.00 1.00 H new ATOM 0 HD22 LEU P 53 13.425 2.348 -14.132 1.00 1.00 H new ATOM 0 HD23 LEU P 53 12.078 3.473 -13.837 1.00 1.00 H new TER 909 LEU P 53