USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD Single : A 1 LEU N :NH3+ -99:sc= -0.977 (180deg=-3.71!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0436) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0564 X(o=-0.056,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 26 SER OG : rot 130:sc= -0.911! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -170:sc= -1.16 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0851 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= -0.0308 (180deg=-0.22) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.493 -0.208 0.324 1.00 73.35 N ATOM 2 CA LEU A 1 2.246 -0.093 -0.920 1.00 42.24 C ATOM 3 C LEU A 1 2.215 -1.404 -1.700 1.00 11.43 C ATOM 4 O LEU A 1 1.849 -1.431 -2.875 1.00 12.12 O ATOM 5 CB LEU A 1 3.694 0.305 -0.628 1.00 12.33 C ATOM 6 CG LEU A 1 3.944 1.794 -0.382 1.00 21.43 C ATOM 7 CD1 LEU A 1 3.509 2.614 -1.586 1.00 0.20 C ATOM 8 CD2 LEU A 1 3.217 2.257 0.872 1.00 31.43 C ATOM 0 H1 LEU A 1 0.546 0.202 0.196 1.00 73.35 H new ATOM 0 HA LEU A 1 1.778 0.681 -1.528 1.00 42.24 H new ATOM 0 HB2 LEU A 1 4.033 -0.249 0.247 1.00 12.33 H new ATOM 0 HB3 LEU A 1 4.313 -0.013 -1.466 1.00 12.33 H new ATOM 0 HG LEU A 1 5.013 1.944 -0.234 1.00 21.43 H new ATOM 0 HD11 LEU A 1 3.694 3.671 -1.393 1.00 0.20 H new ATOM 0 HD12 LEU A 1 4.075 2.301 -2.463 1.00 0.20 H new ATOM 0 HD13 LEU A 1 2.445 2.459 -1.766 1.00 0.20 H new ATOM 0 HD21 LEU A 1 3.406 3.319 1.031 1.00 31.43 H new ATOM 0 HD22 LEU A 1 2.146 2.093 0.753 1.00 31.43 H new ATOM 0 HD23 LEU A 1 3.577 1.691 1.731 1.00 31.43 H new ATOM 20 N VAL A 2 2.599 -2.490 -1.037 1.00 4.33 N ATOM 21 CA VAL A 2 2.612 -3.805 -1.666 1.00 3.12 C ATOM 22 C VAL A 2 1.217 -4.204 -2.133 1.00 62.14 C ATOM 23 O VAL A 2 1.024 -4.587 -3.287 1.00 21.33 O ATOM 24 CB VAL A 2 3.147 -4.882 -0.704 1.00 21.14 C ATOM 25 CG1 VAL A 2 3.144 -6.247 -1.375 1.00 44.00 C ATOM 26 CG2 VAL A 2 4.543 -4.519 -0.221 1.00 23.00 C ATOM 0 H VAL A 2 2.905 -2.485 -0.064 1.00 4.33 H new ATOM 0 HA VAL A 2 3.275 -3.737 -2.528 1.00 3.12 H new ATOM 0 HB VAL A 2 2.488 -4.929 0.163 1.00 21.14 H new ATOM 0 HG11 VAL A 2 3.525 -6.995 -0.680 1.00 44.00 H new ATOM 0 HG12 VAL A 2 2.126 -6.507 -1.666 1.00 44.00 H new ATOM 0 HG13 VAL A 2 3.778 -6.218 -2.261 1.00 44.00 H new ATOM 0 HG21 VAL A 2 4.905 -5.291 0.458 1.00 23.00 H new ATOM 0 HG22 VAL A 2 5.215 -4.443 -1.076 1.00 23.00 H new ATOM 0 HG23 VAL A 2 4.510 -3.563 0.301 1.00 23.00 H new ATOM 36 N ALA A 3 0.247 -4.111 -1.230 1.00 21.12 N ATOM 37 CA ALA A 3 -1.131 -4.460 -1.550 1.00 73.12 C ATOM 38 C ALA A 3 -1.708 -3.514 -2.598 1.00 63.12 C ATOM 39 O ALA A 3 -2.606 -3.883 -3.355 1.00 20.51 O ATOM 40 CB ALA A 3 -1.987 -4.441 -0.292 1.00 23.20 C ATOM 0 H ALA A 3 0.390 -3.797 -0.270 1.00 21.12 H new ATOM 0 HA ALA A 3 -1.137 -5.468 -1.965 1.00 73.12 H new ATOM 0 HB1 ALA A 3 -3.014 -4.704 -0.547 1.00 23.20 H new ATOM 0 HB2 ALA A 3 -1.595 -5.162 0.426 1.00 23.20 H new ATOM 0 HB3 ALA A 3 -1.966 -3.444 0.147 1.00 23.20 H new ATOM 46 N TYR A 4 -1.186 -2.293 -2.637 1.00 13.05 N ATOM 47 CA TYR A 4 -1.652 -1.293 -3.590 1.00 3.20 C ATOM 48 C TYR A 4 -1.152 -1.607 -4.997 1.00 4.03 C ATOM 49 O TYR A 4 -1.928 -1.644 -5.950 1.00 71.12 O ATOM 50 CB TYR A 4 -1.182 0.101 -3.169 1.00 72.21 C ATOM 51 CG TYR A 4 -2.196 0.856 -2.340 1.00 2.42 C ATOM 52 CD1 TYR A 4 -2.925 0.216 -1.346 1.00 14.43 C ATOM 53 CD2 TYR A 4 -2.423 2.211 -2.550 1.00 11.10 C ATOM 54 CE1 TYR A 4 -3.853 0.903 -0.586 1.00 60.23 C ATOM 55 CE2 TYR A 4 -3.348 2.906 -1.794 1.00 64.13 C ATOM 56 CZ TYR A 4 -4.060 2.247 -0.814 1.00 53.31 C ATOM 57 OH TYR A 4 -4.982 2.935 -0.059 1.00 34.12 O ATOM 0 H TYR A 4 -0.440 -1.972 -2.020 1.00 13.05 H new ATOM 0 HA TYR A 4 -2.742 -1.315 -3.598 1.00 3.20 H new ATOM 0 HB2 TYR A 4 -0.257 0.007 -2.600 1.00 72.21 H new ATOM 0 HB3 TYR A 4 -0.950 0.682 -4.061 1.00 72.21 H new ATOM 0 HD1 TYR A 4 -2.764 -0.836 -1.164 1.00 14.43 H new ATOM 0 HD2 TYR A 4 -1.867 2.730 -3.317 1.00 11.10 H new ATOM 0 HE1 TYR A 4 -4.413 0.390 0.182 1.00 60.23 H new ATOM 0 HE2 TYR A 4 -3.512 3.959 -1.970 1.00 64.13 H new ATOM 0 HH TYR A 4 -5.005 3.872 -0.345 1.00 34.12 H new ATOM 67 N GLY A 5 0.153 -1.833 -5.117 1.00 61.42 N ATOM 68 CA GLY A 5 0.736 -2.142 -6.410 1.00 22.12 C ATOM 69 C GLY A 5 2.241 -1.963 -6.425 1.00 2.33 C ATOM 70 O GLY A 5 2.941 -2.598 -7.214 1.00 32.20 O ATOM 0 H GLY A 5 0.816 -1.808 -4.343 1.00 61.42 H new ATOM 0 HA2 GLY A 5 0.493 -3.170 -6.678 1.00 22.12 H new ATOM 0 HA3 GLY A 5 0.289 -1.500 -7.169 1.00 22.12 H new ATOM 74 N ILE A 6 2.741 -1.094 -5.552 1.00 34.32 N ATOM 75 CA ILE A 6 4.172 -0.833 -5.469 1.00 22.14 C ATOM 76 C ILE A 6 4.941 -2.096 -5.094 1.00 15.23 C ATOM 77 O ILE A 6 4.507 -2.867 -4.238 1.00 64.13 O ATOM 78 CB ILE A 6 4.484 0.269 -4.439 1.00 45.02 C ATOM 79 CG1 ILE A 6 3.775 1.570 -4.821 1.00 35.44 C ATOM 80 CG2 ILE A 6 5.986 0.489 -4.338 1.00 45.10 C ATOM 81 CD1 ILE A 6 4.129 2.068 -6.204 1.00 73.02 C ATOM 0 H ILE A 6 2.176 -0.559 -4.893 1.00 34.32 H new ATOM 0 HA ILE A 6 4.489 -0.497 -6.456 1.00 22.14 H new ATOM 0 HB ILE A 6 4.116 -0.051 -3.464 1.00 45.02 H new ATOM 0 HG12 ILE A 6 2.697 1.417 -4.764 1.00 35.44 H new ATOM 0 HG13 ILE A 6 4.027 2.339 -4.091 1.00 35.44 H new ATOM 0 HG21 ILE A 6 6.191 1.271 -3.606 1.00 45.10 H new ATOM 0 HG22 ILE A 6 6.469 -0.437 -4.025 1.00 45.10 H new ATOM 0 HG23 ILE A 6 6.376 0.791 -5.310 1.00 45.10 H new ATOM 0 HD11 ILE A 6 3.590 2.993 -6.407 1.00 73.02 H new ATOM 0 HD12 ILE A 6 5.202 2.253 -6.260 1.00 73.02 H new ATOM 0 HD13 ILE A 6 3.851 1.317 -6.943 1.00 73.02 H new ATOM 93 N ALA A 7 6.084 -2.299 -5.739 1.00 64.30 N ATOM 94 CA ALA A 7 6.916 -3.466 -5.471 1.00 34.22 C ATOM 95 C ALA A 7 7.189 -3.614 -3.978 1.00 34.32 C ATOM 96 O ALA A 7 7.362 -2.624 -3.269 1.00 12.43 O ATOM 97 CB ALA A 7 8.224 -3.371 -6.242 1.00 10.34 C ATOM 0 H ALA A 7 6.456 -1.671 -6.451 1.00 64.30 H new ATOM 0 HA ALA A 7 6.375 -4.351 -5.804 1.00 34.22 H new ATOM 0 HB1 ALA A 7 8.835 -4.249 -6.032 1.00 10.34 H new ATOM 0 HB2 ALA A 7 8.014 -3.322 -7.310 1.00 10.34 H new ATOM 0 HB3 ALA A 7 8.762 -2.473 -5.937 1.00 10.34 H new ATOM 103 N GLN A 8 7.225 -4.857 -3.508 1.00 34.11 N ATOM 104 CA GLN A 8 7.475 -5.133 -2.098 1.00 62.33 C ATOM 105 C GLN A 8 8.905 -4.765 -1.717 1.00 42.22 C ATOM 106 O GLN A 8 9.130 -3.964 -0.811 1.00 31.14 O ATOM 107 CB GLN A 8 7.218 -6.610 -1.793 1.00 14.24 C ATOM 108 CG GLN A 8 7.407 -6.970 -0.328 1.00 3.11 C ATOM 109 CD GLN A 8 6.543 -8.138 0.102 1.00 33.45 C ATOM 110 OE1 GLN A 8 6.139 -8.962 -0.719 1.00 34.24 O ATOM 111 NE2 GLN A 8 6.254 -8.216 1.396 1.00 32.52 N ATOM 0 H GLN A 8 7.084 -5.688 -4.082 1.00 34.11 H new ATOM 0 HA GLN A 8 6.792 -4.523 -1.507 1.00 62.33 H new ATOM 0 HB2 GLN A 8 6.201 -6.863 -2.092 1.00 14.24 H new ATOM 0 HB3 GLN A 8 7.889 -7.220 -2.398 1.00 14.24 H new ATOM 0 HG2 GLN A 8 8.455 -7.213 -0.150 1.00 3.11 H new ATOM 0 HG3 GLN A 8 7.172 -6.103 0.289 1.00 3.11 H new ATOM 0 HE21 GLN A 8 6.610 -7.511 2.041 1.00 32.52 H new ATOM 0 HE22 GLN A 8 5.676 -8.981 1.744 1.00 32.52 H new ATOM 120 N GLY A 9 9.870 -5.356 -2.416 1.00 52.41 N ATOM 121 CA GLY A 9 11.266 -5.077 -2.136 1.00 22.04 C ATOM 122 C GLY A 9 11.571 -3.592 -2.130 1.00 65.34 C ATOM 123 O GLY A 9 12.305 -3.104 -1.270 1.00 41.01 O ATOM 0 H GLY A 9 9.709 -6.023 -3.171 1.00 52.41 H new ATOM 0 HA2 GLY A 9 11.531 -5.503 -1.168 1.00 22.04 H new ATOM 0 HA3 GLY A 9 11.889 -5.570 -2.883 1.00 22.04 H new ATOM 127 N THR A 10 11.009 -2.870 -3.095 1.00 31.43 N ATOM 128 CA THR A 10 11.227 -1.433 -3.200 1.00 30.31 C ATOM 129 C THR A 10 10.396 -0.674 -2.171 1.00 63.44 C ATOM 130 O THR A 10 10.752 0.432 -1.767 1.00 53.21 O ATOM 131 CB THR A 10 10.880 -0.914 -4.608 1.00 14.12 C ATOM 132 OG1 THR A 10 11.562 -1.690 -5.599 1.00 24.24 O ATOM 133 CG2 THR A 10 11.261 0.552 -4.753 1.00 72.43 C ATOM 0 H THR A 10 10.399 -3.258 -3.815 1.00 31.43 H new ATOM 0 HA THR A 10 12.286 -1.259 -3.007 1.00 30.31 H new ATOM 0 HB THR A 10 9.804 -1.009 -4.751 1.00 14.12 H new ATOM 0 HG1 THR A 10 11.334 -1.354 -6.491 1.00 24.24 H new ATOM 0 HG21 THR A 10 11.007 0.897 -5.755 1.00 72.43 H new ATOM 0 HG22 THR A 10 10.717 1.144 -4.017 1.00 72.43 H new ATOM 0 HG23 THR A 10 12.333 0.667 -4.591 1.00 72.43 H new ATOM 141 N ALA A 11 9.289 -1.277 -1.751 1.00 54.34 N ATOM 142 CA ALA A 11 8.409 -0.658 -0.768 1.00 32.35 C ATOM 143 C ALA A 11 9.193 -0.191 0.454 1.00 45.24 C ATOM 144 O ALA A 11 8.918 0.872 1.009 1.00 21.14 O ATOM 145 CB ALA A 11 7.314 -1.630 -0.353 1.00 61.54 C ATOM 0 H ALA A 11 8.980 -2.193 -2.076 1.00 54.34 H new ATOM 0 HA ALA A 11 7.949 0.216 -1.229 1.00 32.35 H new ATOM 0 HB1 ALA A 11 6.664 -1.154 0.382 1.00 61.54 H new ATOM 0 HB2 ALA A 11 6.728 -1.912 -1.227 1.00 61.54 H new ATOM 0 HB3 ALA A 11 7.765 -2.521 0.084 1.00 61.54 H new ATOM 151 N GLU A 12 10.171 -0.992 0.866 1.00 71.13 N ATOM 152 CA GLU A 12 10.994 -0.660 2.023 1.00 52.54 C ATOM 153 C GLU A 12 11.945 0.490 1.702 1.00 73.05 C ATOM 154 O GLU A 12 12.254 1.314 2.562 1.00 10.32 O ATOM 155 CB GLU A 12 11.791 -1.884 2.478 1.00 42.51 C ATOM 156 CG GLU A 12 12.133 -1.871 3.958 1.00 35.25 C ATOM 157 CD GLU A 12 13.416 -2.618 4.268 1.00 54.14 C ATOM 158 OE1 GLU A 12 13.468 -3.838 4.008 1.00 21.52 O ATOM 159 OE2 GLU A 12 14.367 -1.982 4.769 1.00 75.53 O ATOM 0 H GLU A 12 10.412 -1.875 0.416 1.00 71.13 H new ATOM 0 HA GLU A 12 10.332 -0.347 2.830 1.00 52.54 H new ATOM 0 HB2 GLU A 12 11.218 -2.784 2.254 1.00 42.51 H new ATOM 0 HB3 GLU A 12 12.714 -1.941 1.901 1.00 42.51 H new ATOM 0 HG2 GLU A 12 12.227 -0.839 4.296 1.00 35.25 H new ATOM 0 HG3 GLU A 12 11.313 -2.317 4.520 1.00 35.25 H new ATOM 166 N LYS A 13 12.406 0.538 0.456 1.00 10.14 N ATOM 167 CA LYS A 13 13.321 1.586 0.019 1.00 61.51 C ATOM 168 C LYS A 13 12.614 2.936 -0.041 1.00 21.32 C ATOM 169 O LYS A 13 13.061 3.909 0.566 1.00 10.21 O ATOM 170 CB LYS A 13 13.904 1.242 -1.354 1.00 34.31 C ATOM 171 CG LYS A 13 15.093 0.300 -1.291 1.00 63.52 C ATOM 172 CD LYS A 13 15.979 0.438 -2.518 1.00 24.12 C ATOM 173 CE LYS A 13 16.955 -0.723 -2.635 1.00 34.53 C ATOM 174 NZ LYS A 13 17.846 -0.821 -1.446 1.00 33.43 N ATOM 0 H LYS A 13 12.161 -0.137 -0.269 1.00 10.14 H new ATOM 0 HA LYS A 13 14.131 1.652 0.745 1.00 61.51 H new ATOM 0 HB2 LYS A 13 13.125 0.789 -1.967 1.00 34.31 H new ATOM 0 HB3 LYS A 13 14.207 2.163 -1.852 1.00 34.31 H new ATOM 0 HG2 LYS A 13 15.677 0.509 -0.394 1.00 63.52 H new ATOM 0 HG3 LYS A 13 14.740 -0.728 -1.210 1.00 63.52 H new ATOM 0 HD2 LYS A 13 15.358 0.484 -3.413 1.00 24.12 H new ATOM 0 HD3 LYS A 13 16.532 1.376 -2.465 1.00 24.12 H new ATOM 0 HE2 LYS A 13 16.400 -1.654 -2.750 1.00 34.53 H new ATOM 0 HE3 LYS A 13 17.560 -0.599 -3.533 1.00 34.53 H new ATOM 0 HZ1 LYS A 13 18.561 -1.558 -1.608 1.00 33.43 H new ATOM 0 HZ2 LYS A 13 18.319 0.092 -1.290 1.00 33.43 H new ATOM 0 HZ3 LYS A 13 17.281 -1.065 -0.608 1.00 33.43 H new ATOM 188 N VAL A 14 11.507 2.987 -0.775 1.00 42.10 N ATOM 189 CA VAL A 14 10.737 4.217 -0.912 1.00 12.44 C ATOM 190 C VAL A 14 10.394 4.806 0.453 1.00 65.24 C ATOM 191 O VAL A 14 10.495 6.015 0.662 1.00 21.44 O ATOM 192 CB VAL A 14 9.434 3.979 -1.697 1.00 54.44 C ATOM 193 CG1 VAL A 14 8.640 2.837 -1.082 1.00 12.11 C ATOM 194 CG2 VAL A 14 8.602 5.252 -1.747 1.00 34.03 C ATOM 0 H VAL A 14 11.124 2.191 -1.284 1.00 42.10 H new ATOM 0 HA VAL A 14 11.361 4.921 -1.462 1.00 12.44 H new ATOM 0 HB VAL A 14 9.692 3.700 -2.719 1.00 54.44 H new ATOM 0 HG11 VAL A 14 7.723 2.684 -1.651 1.00 12.11 H new ATOM 0 HG12 VAL A 14 9.237 1.925 -1.104 1.00 12.11 H new ATOM 0 HG13 VAL A 14 8.390 3.082 -0.050 1.00 12.11 H new ATOM 0 HG21 VAL A 14 7.685 5.065 -2.306 1.00 34.03 H new ATOM 0 HG22 VAL A 14 8.352 5.563 -0.733 1.00 34.03 H new ATOM 0 HG23 VAL A 14 9.172 6.040 -2.239 1.00 34.03 H new ATOM 204 N VAL A 15 9.989 3.942 1.379 1.00 45.34 N ATOM 205 CA VAL A 15 9.633 4.376 2.724 1.00 25.34 C ATOM 206 C VAL A 15 10.775 5.151 3.372 1.00 1.30 C ATOM 207 O VAL A 15 10.563 6.208 3.966 1.00 13.21 O ATOM 208 CB VAL A 15 9.267 3.178 3.621 1.00 3.22 C ATOM 209 CG1 VAL A 15 9.153 3.614 5.074 1.00 53.20 C ATOM 210 CG2 VAL A 15 7.974 2.533 3.146 1.00 2.00 C ATOM 0 H VAL A 15 9.900 2.938 1.222 1.00 45.34 H new ATOM 0 HA VAL A 15 8.765 5.028 2.627 1.00 25.34 H new ATOM 0 HB VAL A 15 10.063 2.437 3.551 1.00 3.22 H new ATOM 0 HG11 VAL A 15 8.894 2.755 5.692 1.00 53.20 H new ATOM 0 HG12 VAL A 15 10.106 4.026 5.406 1.00 53.20 H new ATOM 0 HG13 VAL A 15 8.377 4.374 5.166 1.00 53.20 H new ATOM 0 HG21 VAL A 15 7.730 1.689 3.791 1.00 2.00 H new ATOM 0 HG22 VAL A 15 7.167 3.264 3.185 1.00 2.00 H new ATOM 0 HG23 VAL A 15 8.097 2.183 2.121 1.00 2.00 H new ATOM 220 N SER A 16 11.987 4.619 3.253 1.00 43.13 N ATOM 221 CA SER A 16 13.163 5.260 3.829 1.00 24.35 C ATOM 222 C SER A 16 13.324 6.681 3.298 1.00 34.20 C ATOM 223 O SER A 16 13.806 7.569 4.002 1.00 32.02 O ATOM 224 CB SER A 16 14.419 4.442 3.519 1.00 0.52 C ATOM 225 OG SER A 16 15.403 4.618 4.524 1.00 41.44 O ATOM 0 H SER A 16 12.180 3.746 2.763 1.00 43.13 H new ATOM 0 HA SER A 16 13.026 5.309 4.909 1.00 24.35 H new ATOM 0 HB2 SER A 16 14.159 3.386 3.441 1.00 0.52 H new ATOM 0 HB3 SER A 16 14.824 4.743 2.553 1.00 0.52 H new ATOM 0 HG SER A 16 16.195 4.084 4.304 1.00 41.44 H new ATOM 231 N LEU A 17 12.916 6.889 2.051 1.00 70.51 N ATOM 232 CA LEU A 17 13.013 8.202 1.423 1.00 64.42 C ATOM 233 C LEU A 17 11.997 9.168 2.021 1.00 14.33 C ATOM 234 O LEU A 17 12.212 10.381 2.036 1.00 60.44 O ATOM 235 CB LEU A 17 12.795 8.084 -0.087 1.00 4.23 C ATOM 236 CG LEU A 17 14.056 8.116 -0.951 1.00 41.15 C ATOM 237 CD1 LEU A 17 14.688 9.499 -0.922 1.00 65.12 C ATOM 238 CD2 LEU A 17 15.050 7.063 -0.484 1.00 62.02 C ATOM 0 H LEU A 17 12.515 6.165 1.455 1.00 70.51 H new ATOM 0 HA LEU A 17 14.013 8.594 1.610 1.00 64.42 H new ATOM 0 HB2 LEU A 17 12.266 7.152 -0.286 1.00 4.23 H new ATOM 0 HB3 LEU A 17 12.141 8.896 -0.404 1.00 4.23 H new ATOM 0 HG LEU A 17 13.774 7.889 -1.979 1.00 41.15 H new ATOM 0 HD11 LEU A 17 15.584 9.503 -1.542 1.00 65.12 H new ATOM 0 HD12 LEU A 17 13.978 10.232 -1.306 1.00 65.12 H new ATOM 0 HD13 LEU A 17 14.955 9.755 0.103 1.00 65.12 H new ATOM 0 HD21 LEU A 17 15.941 7.101 -1.111 1.00 62.02 H new ATOM 0 HD22 LEU A 17 15.326 7.258 0.552 1.00 62.02 H new ATOM 0 HD23 LEU A 17 14.595 6.075 -0.559 1.00 62.02 H new ATOM 250 N ILE A 18 10.890 8.624 2.516 1.00 61.42 N ATOM 251 CA ILE A 18 9.842 9.438 3.119 1.00 60.34 C ATOM 252 C ILE A 18 10.352 10.158 4.362 1.00 43.31 C ATOM 253 O ILE A 18 10.129 11.356 4.533 1.00 63.03 O ATOM 254 CB ILE A 18 8.617 8.586 3.499 1.00 15.21 C ATOM 255 CG1 ILE A 18 8.200 7.698 2.324 1.00 4.45 C ATOM 256 CG2 ILE A 18 7.463 9.480 3.929 1.00 41.30 C ATOM 257 CD1 ILE A 18 6.958 6.879 2.597 1.00 64.13 C ATOM 0 H ILE A 18 10.696 7.623 2.511 1.00 61.42 H new ATOM 0 HA ILE A 18 9.545 10.174 2.372 1.00 60.34 H new ATOM 0 HB ILE A 18 8.886 7.944 4.337 1.00 15.21 H new ATOM 0 HG12 ILE A 18 8.027 8.325 1.449 1.00 4.45 H new ATOM 0 HG13 ILE A 18 9.022 7.026 2.077 1.00 4.45 H new ATOM 0 HG21 ILE A 18 6.604 8.863 4.194 1.00 41.30 H new ATOM 0 HG22 ILE A 18 7.764 10.073 4.792 1.00 41.30 H new ATOM 0 HG23 ILE A 18 7.192 10.145 3.109 1.00 41.30 H new ATOM 0 HD11 ILE A 18 6.721 6.274 1.722 1.00 64.13 H new ATOM 0 HD12 ILE A 18 7.133 6.226 3.452 1.00 64.13 H new ATOM 0 HD13 ILE A 18 6.123 7.545 2.814 1.00 64.13 H new ATOM 269 N ASN A 19 11.040 9.420 5.227 1.00 60.33 N ATOM 270 CA ASN A 19 11.584 9.989 6.455 1.00 72.44 C ATOM 271 C ASN A 19 12.541 11.136 6.145 1.00 31.34 C ATOM 272 O ASN A 19 12.792 11.993 6.992 1.00 43.04 O ATOM 273 CB ASN A 19 12.307 8.910 7.264 1.00 10.32 C ATOM 274 CG ASN A 19 12.689 9.388 8.652 1.00 73.00 C ATOM 275 OD1 ASN A 19 13.864 9.390 9.019 1.00 70.35 O ATOM 276 ND2 ASN A 19 11.694 9.796 9.431 1.00 1.14 N ATOM 0 H ASN A 19 11.234 8.427 5.100 1.00 60.33 H new ATOM 0 HA ASN A 19 10.755 10.381 7.044 1.00 72.44 H new ATOM 0 HB2 ASN A 19 11.666 8.032 7.348 1.00 10.32 H new ATOM 0 HB3 ASN A 19 13.205 8.599 6.730 1.00 10.32 H new ATOM 0 HD21 ASN A 19 11.889 10.128 10.375 1.00 1.14 H new ATOM 0 HD22 ASN A 19 10.735 9.777 9.085 1.00 1.14 H new ATOM 283 N ALA A 20 13.071 11.145 4.927 1.00 62.42 N ATOM 284 CA ALA A 20 13.998 12.187 4.505 1.00 41.25 C ATOM 285 C ALA A 20 13.312 13.548 4.463 1.00 54.12 C ATOM 286 O ALA A 20 13.969 14.587 4.493 1.00 4.33 O ATOM 287 CB ALA A 20 14.588 11.849 3.143 1.00 11.43 C ATOM 0 H ALA A 20 12.874 10.442 4.215 1.00 62.42 H new ATOM 0 HA ALA A 20 14.805 12.238 5.236 1.00 41.25 H new ATOM 0 HB1 ALA A 20 15.279 12.636 2.840 1.00 11.43 H new ATOM 0 HB2 ALA A 20 15.122 10.901 3.203 1.00 11.43 H new ATOM 0 HB3 ALA A 20 13.786 11.768 2.409 1.00 11.43 H new ATOM 293 N GLY A 21 11.984 13.534 4.392 1.00 11.40 N ATOM 294 CA GLY A 21 11.231 14.774 4.346 1.00 35.13 C ATOM 295 C GLY A 21 10.735 15.100 2.951 1.00 35.35 C ATOM 296 O GLY A 21 9.997 16.067 2.757 1.00 42.13 O ATOM 0 H GLY A 21 11.417 12.687 4.366 1.00 11.40 H new ATOM 0 HA2 GLY A 21 10.380 14.704 5.024 1.00 35.13 H new ATOM 0 HA3 GLY A 21 11.858 15.590 4.705 1.00 35.13 H new ATOM 300 N LEU A 22 11.140 14.292 1.978 1.00 41.54 N ATOM 301 CA LEU A 22 10.733 14.501 0.592 1.00 25.41 C ATOM 302 C LEU A 22 9.239 14.249 0.420 1.00 51.13 C ATOM 303 O LEU A 22 8.730 13.189 0.785 1.00 32.02 O ATOM 304 CB LEU A 22 11.528 13.580 -0.337 1.00 15.52 C ATOM 305 CG LEU A 22 13.001 13.937 -0.536 1.00 0.31 C ATOM 306 CD1 LEU A 22 13.739 12.795 -1.217 1.00 43.51 C ATOM 307 CD2 LEU A 22 13.135 15.219 -1.345 1.00 12.22 C ATOM 0 H LEU A 22 11.749 13.487 2.122 1.00 41.54 H new ATOM 0 HA LEU A 22 10.940 15.539 0.330 1.00 25.41 H new ATOM 0 HB2 LEU A 22 11.471 12.565 0.055 1.00 15.52 H new ATOM 0 HB3 LEU A 22 11.042 13.573 -1.312 1.00 15.52 H new ATOM 0 HG LEU A 22 13.451 14.101 0.443 1.00 0.31 H new ATOM 0 HD11 LEU A 22 14.786 13.067 -1.351 1.00 43.51 H new ATOM 0 HD12 LEU A 22 13.673 11.899 -0.599 1.00 43.51 H new ATOM 0 HD13 LEU A 22 13.288 12.599 -2.190 1.00 43.51 H new ATOM 0 HD21 LEU A 22 14.190 15.458 -1.477 1.00 12.22 H new ATOM 0 HD22 LEU A 22 12.669 15.084 -2.321 1.00 12.22 H new ATOM 0 HD23 LEU A 22 12.642 16.035 -0.818 1.00 12.22 H new ATOM 319 N THR A 23 8.540 15.231 -0.142 1.00 33.31 N ATOM 320 CA THR A 23 7.104 15.116 -0.364 1.00 70.02 C ATOM 321 C THR A 23 6.803 14.228 -1.566 1.00 71.01 C ATOM 322 O THR A 23 7.710 13.814 -2.288 1.00 24.35 O ATOM 323 CB THR A 23 6.458 16.497 -0.586 1.00 33.44 C ATOM 324 OG1 THR A 23 7.288 17.295 -1.436 1.00 11.41 O ATOM 325 CG2 THR A 23 6.243 17.212 0.739 1.00 12.25 C ATOM 0 H THR A 23 8.945 16.114 -0.451 1.00 33.31 H new ATOM 0 HA THR A 23 6.680 14.664 0.533 1.00 70.02 H new ATOM 0 HB THR A 23 5.489 16.349 -1.062 1.00 33.44 H new ATOM 0 HG1 THR A 23 6.870 18.170 -1.574 1.00 11.41 H new ATOM 0 HG21 THR A 23 5.786 18.185 0.558 1.00 12.25 H new ATOM 0 HG22 THR A 23 5.587 16.615 1.372 1.00 12.25 H new ATOM 0 HG23 THR A 23 7.202 17.349 1.238 1.00 12.25 H new ATOM 333 N VAL A 24 5.523 13.939 -1.777 1.00 14.12 N ATOM 334 CA VAL A 24 5.102 13.101 -2.893 1.00 54.22 C ATOM 335 C VAL A 24 5.691 13.600 -4.208 1.00 1.23 C ATOM 336 O VAL A 24 5.944 12.818 -5.123 1.00 42.32 O ATOM 337 CB VAL A 24 3.567 13.058 -3.015 1.00 52.22 C ATOM 338 CG1 VAL A 24 2.942 12.562 -1.720 1.00 72.54 C ATOM 339 CG2 VAL A 24 3.024 14.430 -3.387 1.00 73.43 C ATOM 0 H VAL A 24 4.759 14.273 -1.189 1.00 14.12 H new ATOM 0 HA VAL A 24 5.472 12.096 -2.691 1.00 54.22 H new ATOM 0 HB VAL A 24 3.302 12.360 -3.809 1.00 52.22 H new ATOM 0 HG11 VAL A 24 1.857 12.538 -1.825 1.00 72.54 H new ATOM 0 HG12 VAL A 24 3.307 11.559 -1.501 1.00 72.54 H new ATOM 0 HG13 VAL A 24 3.213 13.233 -0.905 1.00 72.54 H new ATOM 0 HG21 VAL A 24 1.938 14.382 -3.469 1.00 73.43 H new ATOM 0 HG22 VAL A 24 3.298 15.151 -2.617 1.00 73.43 H new ATOM 0 HG23 VAL A 24 3.446 14.742 -4.342 1.00 73.43 H new ATOM 349 N GLY A 25 5.908 14.909 -4.294 1.00 3.24 N ATOM 350 CA GLY A 25 6.467 15.491 -5.500 1.00 62.21 C ATOM 351 C GLY A 25 7.879 15.011 -5.775 1.00 14.22 C ATOM 352 O GLY A 25 8.225 14.700 -6.914 1.00 71.03 O ATOM 0 H GLY A 25 5.707 15.577 -3.550 1.00 3.24 H new ATOM 0 HA2 GLY A 25 5.830 15.242 -6.349 1.00 62.21 H new ATOM 0 HA3 GLY A 25 6.467 16.577 -5.409 1.00 62.21 H new ATOM 356 N SER A 26 8.696 14.953 -4.729 1.00 24.14 N ATOM 357 CA SER A 26 10.080 14.513 -4.864 1.00 2.25 C ATOM 358 C SER A 26 10.149 13.016 -5.149 1.00 41.13 C ATOM 359 O SER A 26 11.050 12.547 -5.846 1.00 14.11 O ATOM 360 CB SER A 26 10.867 14.838 -3.592 1.00 50.03 C ATOM 361 OG SER A 26 11.421 16.141 -3.654 1.00 72.02 O ATOM 0 H SER A 26 8.424 15.205 -3.779 1.00 24.14 H new ATOM 0 HA SER A 26 10.524 15.046 -5.704 1.00 2.25 H new ATOM 0 HB2 SER A 26 10.211 14.759 -2.725 1.00 50.03 H new ATOM 0 HB3 SER A 26 11.664 14.107 -3.457 1.00 50.03 H new ATOM 0 HG SER A 26 11.199 16.630 -2.835 1.00 72.02 H new ATOM 367 N ILE A 27 9.192 12.272 -4.606 1.00 74.03 N ATOM 368 CA ILE A 27 9.142 10.829 -4.803 1.00 63.42 C ATOM 369 C ILE A 27 9.001 10.480 -6.281 1.00 33.11 C ATOM 370 O ILE A 27 9.804 9.726 -6.831 1.00 20.33 O ATOM 371 CB ILE A 27 7.976 10.193 -4.023 1.00 51.54 C ATOM 372 CG1 ILE A 27 8.109 10.494 -2.529 1.00 51.41 C ATOM 373 CG2 ILE A 27 7.932 8.692 -4.265 1.00 45.11 C ATOM 374 CD1 ILE A 27 9.333 9.873 -1.894 1.00 43.13 C ATOM 0 H ILE A 27 8.440 12.645 -4.026 1.00 74.03 H new ATOM 0 HA ILE A 27 10.082 10.427 -4.425 1.00 63.42 H new ATOM 0 HB ILE A 27 7.041 10.626 -4.380 1.00 51.54 H new ATOM 0 HG12 ILE A 27 8.144 11.574 -2.386 1.00 51.41 H new ATOM 0 HG13 ILE A 27 7.219 10.133 -2.013 1.00 51.41 H new ATOM 0 HG21 ILE A 27 7.103 8.258 -3.707 1.00 45.11 H new ATOM 0 HG22 ILE A 27 7.794 8.499 -5.329 1.00 45.11 H new ATOM 0 HG23 ILE A 27 8.868 8.242 -3.933 1.00 45.11 H new ATOM 0 HD11 ILE A 27 9.362 10.128 -0.835 1.00 43.13 H new ATOM 0 HD12 ILE A 27 9.291 8.790 -2.005 1.00 43.13 H new ATOM 0 HD13 ILE A 27 10.230 10.253 -2.384 1.00 43.13 H new ATOM 386 N ILE A 28 7.976 11.035 -6.919 1.00 34.05 N ATOM 387 CA ILE A 28 7.731 10.785 -8.333 1.00 72.15 C ATOM 388 C ILE A 28 8.971 11.086 -9.168 1.00 3.34 C ATOM 389 O ILE A 28 9.237 10.418 -10.167 1.00 3.32 O ATOM 390 CB ILE A 28 6.555 11.629 -8.859 1.00 51.22 C ATOM 391 CG1 ILE A 28 5.291 11.346 -8.045 1.00 31.30 C ATOM 392 CG2 ILE A 28 6.316 11.344 -10.334 1.00 43.45 C ATOM 393 CD1 ILE A 28 4.840 9.903 -8.112 1.00 2.25 C ATOM 0 H ILE A 28 7.302 11.661 -6.478 1.00 34.05 H new ATOM 0 HA ILE A 28 7.480 9.728 -8.427 1.00 72.15 H new ATOM 0 HB ILE A 28 6.807 12.684 -8.749 1.00 51.22 H new ATOM 0 HG12 ILE A 28 5.471 11.614 -7.004 1.00 31.30 H new ATOM 0 HG13 ILE A 28 4.486 11.987 -8.404 1.00 31.30 H new ATOM 0 HG21 ILE A 28 5.482 11.948 -10.691 1.00 43.45 H new ATOM 0 HG22 ILE A 28 7.213 11.592 -10.902 1.00 43.45 H new ATOM 0 HG23 ILE A 28 6.082 10.288 -10.467 1.00 43.45 H new ATOM 0 HD11 ILE A 28 3.939 9.775 -7.512 1.00 2.25 H new ATOM 0 HD12 ILE A 28 4.628 9.636 -9.147 1.00 2.25 H new ATOM 0 HD13 ILE A 28 5.628 9.257 -7.725 1.00 2.25 H new ATOM 405 N SER A 29 9.728 12.096 -8.749 1.00 62.43 N ATOM 406 CA SER A 29 10.940 12.487 -9.459 1.00 5.22 C ATOM 407 C SER A 29 11.966 11.358 -9.446 1.00 3.02 C ATOM 408 O SER A 29 12.731 11.189 -10.396 1.00 22.11 O ATOM 409 CB SER A 29 11.542 13.745 -8.829 1.00 12.03 C ATOM 410 OG SER A 29 12.680 14.183 -9.551 1.00 15.21 O ATOM 0 H SER A 29 9.523 12.657 -7.922 1.00 62.43 H new ATOM 0 HA SER A 29 10.672 12.699 -10.494 1.00 5.22 H new ATOM 0 HB2 SER A 29 10.794 14.538 -8.807 1.00 12.03 H new ATOM 0 HB3 SER A 29 11.820 13.540 -7.795 1.00 12.03 H new ATOM 0 HG SER A 29 13.045 14.989 -9.129 1.00 15.21 H new ATOM 416 N ILE A 30 11.976 10.588 -8.363 1.00 11.43 N ATOM 417 CA ILE A 30 12.906 9.475 -8.226 1.00 23.32 C ATOM 418 C ILE A 30 12.551 8.341 -9.182 1.00 4.11 C ATOM 419 O ILE A 30 13.410 7.546 -9.566 1.00 3.02 O ATOM 420 CB ILE A 30 12.924 8.930 -6.785 1.00 71.24 C ATOM 421 CG1 ILE A 30 13.308 10.038 -5.802 1.00 64.45 C ATOM 422 CG2 ILE A 30 13.888 7.758 -6.674 1.00 75.33 C ATOM 423 CD1 ILE A 30 14.689 10.607 -6.044 1.00 13.22 C ATOM 0 H ILE A 30 11.350 10.715 -7.568 1.00 11.43 H new ATOM 0 HA ILE A 30 13.896 9.859 -8.473 1.00 23.32 H new ATOM 0 HB ILE A 30 11.924 8.578 -6.533 1.00 71.24 H new ATOM 0 HG12 ILE A 30 12.575 10.842 -5.869 1.00 64.45 H new ATOM 0 HG13 ILE A 30 13.258 9.645 -4.786 1.00 64.45 H new ATOM 0 HG21 ILE A 30 13.890 7.384 -5.650 1.00 75.33 H new ATOM 0 HG22 ILE A 30 13.574 6.963 -7.350 1.00 75.33 H new ATOM 0 HG23 ILE A 30 14.892 8.086 -6.942 1.00 75.33 H new ATOM 0 HD11 ILE A 30 14.895 11.387 -5.311 1.00 13.22 H new ATOM 0 HD12 ILE A 30 15.431 9.814 -5.948 1.00 13.22 H new ATOM 0 HD13 ILE A 30 14.738 11.030 -7.047 1.00 13.22 H new ATOM 435 N LEU A 31 11.281 8.273 -9.565 1.00 1.45 N ATOM 436 CA LEU A 31 10.811 7.238 -10.478 1.00 65.25 C ATOM 437 C LEU A 31 11.095 7.621 -11.927 1.00 61.24 C ATOM 438 O LEU A 31 11.227 6.758 -12.794 1.00 74.41 O ATOM 439 CB LEU A 31 9.313 7.001 -10.286 1.00 14.14 C ATOM 440 CG LEU A 31 8.864 5.540 -10.243 1.00 72.02 C ATOM 441 CD1 LEU A 31 9.551 4.803 -9.104 1.00 12.42 C ATOM 442 CD2 LEU A 31 7.351 5.451 -10.103 1.00 61.42 C ATOM 0 H LEU A 31 10.558 8.923 -9.257 1.00 1.45 H new ATOM 0 HA LEU A 31 11.349 6.318 -10.252 1.00 65.25 H new ATOM 0 HB2 LEU A 31 9.006 7.482 -9.357 1.00 14.14 H new ATOM 0 HB3 LEU A 31 8.780 7.500 -11.095 1.00 14.14 H new ATOM 0 HG LEU A 31 9.151 5.064 -11.181 1.00 72.02 H new ATOM 0 HD11 LEU A 31 9.219 3.765 -9.090 1.00 12.42 H new ATOM 0 HD12 LEU A 31 10.631 4.836 -9.248 1.00 12.42 H new ATOM 0 HD13 LEU A 31 9.296 5.279 -8.157 1.00 12.42 H new ATOM 0 HD21 LEU A 31 7.049 4.404 -10.074 1.00 61.42 H new ATOM 0 HD22 LEU A 31 7.041 5.944 -9.181 1.00 61.42 H new ATOM 0 HD23 LEU A 31 6.877 5.942 -10.953 1.00 61.42 H new ATOM 454 N GLY A 32 11.190 8.922 -12.183 1.00 3.35 N ATOM 455 CA GLY A 32 11.460 9.397 -13.527 1.00 60.12 C ATOM 456 C GLY A 32 10.460 10.439 -13.986 1.00 13.44 C ATOM 457 O GLY A 32 10.739 11.221 -14.894 1.00 70.40 O ATOM 0 H GLY A 32 11.085 9.656 -11.483 1.00 3.35 H new ATOM 0 HA2 GLY A 32 12.464 9.820 -13.565 1.00 60.12 H new ATOM 0 HA3 GLY A 32 11.444 8.553 -14.217 1.00 60.12 H new ATOM 461 N GLY A 33 9.289 10.451 -13.356 1.00 75.01 N ATOM 462 CA GLY A 33 8.260 11.408 -13.720 1.00 3.31 C ATOM 463 C GLY A 33 7.267 10.842 -14.715 1.00 35.24 C ATOM 464 O GLY A 33 6.283 11.496 -15.062 1.00 20.23 O ATOM 0 H GLY A 33 9.035 9.815 -12.600 1.00 75.01 H new ATOM 0 HA2 GLY A 33 7.729 11.725 -12.822 1.00 3.31 H new ATOM 0 HA3 GLY A 33 8.728 12.296 -14.144 1.00 3.31 H new ATOM 468 N VAL A 34 7.524 9.622 -15.176 1.00 54.14 N ATOM 469 CA VAL A 34 6.644 8.968 -16.138 1.00 24.31 C ATOM 470 C VAL A 34 5.357 8.496 -15.472 1.00 75.24 C ATOM 471 O VAL A 34 4.418 8.066 -16.144 1.00 40.22 O ATOM 472 CB VAL A 34 7.337 7.763 -16.802 1.00 41.15 C ATOM 473 CG1 VAL A 34 8.470 8.229 -17.704 1.00 40.01 C ATOM 474 CG2 VAL A 34 7.849 6.794 -15.747 1.00 53.31 C ATOM 0 H VAL A 34 8.334 9.067 -14.899 1.00 54.14 H new ATOM 0 HA VAL A 34 6.404 9.707 -16.902 1.00 24.31 H new ATOM 0 HB VAL A 34 6.605 7.240 -17.418 1.00 41.15 H new ATOM 0 HG11 VAL A 34 8.948 7.364 -18.164 1.00 40.01 H new ATOM 0 HG12 VAL A 34 8.071 8.880 -18.482 1.00 40.01 H new ATOM 0 HG13 VAL A 34 9.204 8.777 -17.113 1.00 40.01 H new ATOM 0 HG21 VAL A 34 8.335 5.949 -16.234 1.00 53.31 H new ATOM 0 HG22 VAL A 34 8.566 7.303 -15.103 1.00 53.31 H new ATOM 0 HG23 VAL A 34 7.013 6.434 -15.147 1.00 53.31 H new ATOM 484 N THR A 35 5.317 8.579 -14.146 1.00 62.21 N ATOM 485 CA THR A 35 4.145 8.160 -13.388 1.00 72.15 C ATOM 486 C THR A 35 3.053 9.222 -13.434 1.00 14.33 C ATOM 487 O THR A 35 2.011 9.030 -14.060 1.00 75.42 O ATOM 488 CB THR A 35 4.501 7.868 -11.919 1.00 33.05 C ATOM 489 OG1 THR A 35 5.774 8.440 -11.600 1.00 23.21 O ATOM 490 CG2 THR A 35 4.532 6.370 -11.657 1.00 20.24 C ATOM 0 H THR A 35 6.084 8.933 -13.574 1.00 62.21 H new ATOM 0 HA THR A 35 3.778 7.245 -13.853 1.00 72.15 H new ATOM 0 HB THR A 35 3.734 8.315 -11.287 1.00 33.05 H new ATOM 0 HG1 THR A 35 6.065 8.120 -10.721 1.00 23.21 H new ATOM 0 HG21 THR A 35 4.786 6.188 -10.613 1.00 20.24 H new ATOM 0 HG22 THR A 35 3.553 5.943 -11.872 1.00 20.24 H new ATOM 0 HG23 THR A 35 5.280 5.904 -12.298 1.00 20.24 H new ATOM 498 N VAL A 36 3.298 10.345 -12.766 1.00 13.30 N ATOM 499 CA VAL A 36 2.335 11.440 -12.732 1.00 22.14 C ATOM 500 C VAL A 36 0.963 10.951 -12.281 1.00 41.25 C ATOM 501 O VAL A 36 0.058 10.773 -13.095 1.00 51.55 O ATOM 502 CB VAL A 36 2.201 12.113 -14.110 1.00 43.15 C ATOM 503 CG1 VAL A 36 1.311 13.343 -14.020 1.00 44.41 C ATOM 504 CG2 VAL A 36 3.572 12.476 -14.661 1.00 62.22 C ATOM 0 H VAL A 36 4.155 10.520 -12.241 1.00 13.30 H new ATOM 0 HA VAL A 36 2.711 12.170 -12.015 1.00 22.14 H new ATOM 0 HB VAL A 36 1.734 11.406 -14.796 1.00 43.15 H new ATOM 0 HG11 VAL A 36 1.228 13.805 -15.004 1.00 44.41 H new ATOM 0 HG12 VAL A 36 0.320 13.051 -13.672 1.00 44.41 H new ATOM 0 HG13 VAL A 36 1.746 14.056 -13.320 1.00 44.41 H new ATOM 0 HG21 VAL A 36 3.458 12.951 -15.636 1.00 62.22 H new ATOM 0 HG22 VAL A 36 4.068 13.165 -13.977 1.00 62.22 H new ATOM 0 HG23 VAL A 36 4.173 11.573 -14.765 1.00 62.22 H new ATOM 514 N GLY A 37 0.816 10.736 -10.978 1.00 32.14 N ATOM 515 CA GLY A 37 -0.449 10.270 -10.441 1.00 34.11 C ATOM 516 C GLY A 37 -0.293 9.586 -9.098 1.00 25.55 C ATOM 517 O GLY A 37 -1.123 9.757 -8.204 1.00 73.43 O ATOM 0 H GLY A 37 1.550 10.876 -10.284 1.00 32.14 H new ATOM 0 HA2 GLY A 37 -1.129 11.115 -10.338 1.00 34.11 H new ATOM 0 HA3 GLY A 37 -0.906 9.577 -11.147 1.00 34.11 H new ATOM 521 N LEU A 38 0.774 8.807 -8.953 1.00 60.11 N ATOM 522 CA LEU A 38 1.037 8.092 -7.709 1.00 13.12 C ATOM 523 C LEU A 38 1.156 9.063 -6.538 1.00 63.42 C ATOM 524 O LEU A 38 0.915 8.696 -5.388 1.00 3.10 O ATOM 525 CB LEU A 38 2.317 7.265 -7.833 1.00 45.04 C ATOM 526 CG LEU A 38 2.128 5.760 -8.029 1.00 4.32 C ATOM 527 CD1 LEU A 38 3.331 5.159 -8.739 1.00 4.01 C ATOM 528 CD2 LEU A 38 1.898 5.073 -6.691 1.00 4.44 C ATOM 0 H LEU A 38 1.471 8.655 -9.682 1.00 60.11 H new ATOM 0 HA LEU A 38 0.198 7.423 -7.519 1.00 13.12 H new ATOM 0 HB2 LEU A 38 2.895 7.651 -8.673 1.00 45.04 H new ATOM 0 HB3 LEU A 38 2.915 7.422 -6.936 1.00 45.04 H new ATOM 0 HG LEU A 38 1.248 5.602 -8.652 1.00 4.32 H new ATOM 0 HD11 LEU A 38 3.179 4.088 -8.870 1.00 4.01 H new ATOM 0 HD12 LEU A 38 3.451 5.630 -9.715 1.00 4.01 H new ATOM 0 HD13 LEU A 38 4.227 5.328 -8.142 1.00 4.01 H new ATOM 0 HD21 LEU A 38 1.765 4.003 -6.850 1.00 4.44 H new ATOM 0 HD22 LEU A 38 2.759 5.240 -6.043 1.00 4.44 H new ATOM 0 HD23 LEU A 38 1.005 5.483 -6.220 1.00 4.44 H new ATOM 540 N SER A 39 1.528 10.303 -6.840 1.00 31.43 N ATOM 541 CA SER A 39 1.681 11.326 -5.812 1.00 71.03 C ATOM 542 C SER A 39 0.404 11.464 -4.989 1.00 21.14 C ATOM 543 O SER A 39 0.449 11.793 -3.804 1.00 33.00 O ATOM 544 CB SER A 39 2.037 12.670 -6.450 1.00 43.03 C ATOM 545 OG SER A 39 1.531 12.758 -7.771 1.00 20.11 O ATOM 0 H SER A 39 1.729 10.623 -7.787 1.00 31.43 H new ATOM 0 HA SER A 39 2.490 11.021 -5.148 1.00 71.03 H new ATOM 0 HB2 SER A 39 1.630 13.482 -5.847 1.00 43.03 H new ATOM 0 HB3 SER A 39 3.120 12.794 -6.463 1.00 43.03 H new ATOM 0 HG SER A 39 1.771 13.627 -8.156 1.00 20.11 H new ATOM 551 N GLY A 40 -0.735 11.209 -5.626 1.00 43.42 N ATOM 552 CA GLY A 40 -2.009 11.310 -4.938 1.00 45.34 C ATOM 553 C GLY A 40 -2.259 10.141 -4.008 1.00 32.54 C ATOM 554 O GLY A 40 -3.057 10.239 -3.075 1.00 52.35 O ATOM 0 H GLY A 40 -0.798 10.934 -6.606 1.00 43.42 H new ATOM 0 HA2 GLY A 40 -2.037 12.238 -4.366 1.00 45.34 H new ATOM 0 HA3 GLY A 40 -2.812 11.364 -5.673 1.00 45.34 H new ATOM 558 N VAL A 41 -1.577 9.028 -4.261 1.00 11.01 N ATOM 559 CA VAL A 41 -1.730 7.834 -3.439 1.00 31.42 C ATOM 560 C VAL A 41 -0.682 7.790 -2.332 1.00 54.12 C ATOM 561 O VAL A 41 -0.932 7.267 -1.246 1.00 13.31 O ATOM 562 CB VAL A 41 -1.620 6.552 -4.285 1.00 72.35 C ATOM 563 CG1 VAL A 41 -1.743 5.318 -3.405 1.00 32.43 C ATOM 564 CG2 VAL A 41 -2.677 6.544 -5.379 1.00 75.32 C ATOM 0 H VAL A 41 -0.913 8.929 -5.029 1.00 11.01 H new ATOM 0 HA VAL A 41 -2.724 7.883 -2.993 1.00 31.42 H new ATOM 0 HB VAL A 41 -0.639 6.534 -4.759 1.00 72.35 H new ATOM 0 HG11 VAL A 41 -1.663 4.422 -4.021 1.00 32.43 H new ATOM 0 HG12 VAL A 41 -0.945 5.320 -2.662 1.00 32.43 H new ATOM 0 HG13 VAL A 41 -2.709 5.326 -2.900 1.00 32.43 H new ATOM 0 HG21 VAL A 41 -2.585 5.631 -5.967 1.00 75.32 H new ATOM 0 HG22 VAL A 41 -3.668 6.586 -4.928 1.00 75.32 H new ATOM 0 HG23 VAL A 41 -2.536 7.409 -6.027 1.00 75.32 H new ATOM 574 N PHE A 42 0.492 8.344 -2.615 1.00 63.51 N ATOM 575 CA PHE A 42 1.580 8.368 -1.644 1.00 34.12 C ATOM 576 C PHE A 42 1.210 9.223 -0.435 1.00 42.02 C ATOM 577 O PHE A 42 1.379 8.806 0.711 1.00 23.41 O ATOM 578 CB PHE A 42 2.858 8.905 -2.291 1.00 20.41 C ATOM 579 CG PHE A 42 4.116 8.370 -1.668 1.00 34.15 C ATOM 580 CD1 PHE A 42 4.547 7.082 -1.942 1.00 4.30 C ATOM 581 CD2 PHE A 42 4.866 9.155 -0.807 1.00 34.24 C ATOM 582 CE1 PHE A 42 5.704 6.587 -1.370 1.00 44.33 C ATOM 583 CE2 PHE A 42 6.024 8.665 -0.232 1.00 54.44 C ATOM 584 CZ PHE A 42 6.443 7.380 -0.514 1.00 32.35 C ATOM 0 H PHE A 42 0.715 8.782 -3.509 1.00 63.51 H new ATOM 0 HA PHE A 42 1.755 7.347 -1.305 1.00 34.12 H new ATOM 0 HB2 PHE A 42 2.852 8.654 -3.352 1.00 20.41 H new ATOM 0 HB3 PHE A 42 2.862 9.993 -2.221 1.00 20.41 H new ATOM 0 HD1 PHE A 42 3.972 6.458 -2.610 1.00 4.30 H new ATOM 0 HD2 PHE A 42 4.542 10.161 -0.583 1.00 34.24 H new ATOM 0 HE1 PHE A 42 6.030 5.582 -1.592 1.00 44.33 H new ATOM 0 HE2 PHE A 42 6.600 9.287 0.437 1.00 54.44 H new ATOM 0 HZ PHE A 42 7.347 6.995 -0.066 1.00 32.35 H new ATOM 594 N THR A 43 0.705 10.424 -0.700 1.00 31.14 N ATOM 595 CA THR A 43 0.313 11.339 0.364 1.00 11.45 C ATOM 596 C THR A 43 -0.662 10.675 1.330 1.00 2.10 C ATOM 597 O THR A 43 -0.565 10.852 2.544 1.00 54.50 O ATOM 598 CB THR A 43 -0.335 12.616 -0.203 1.00 42.44 C ATOM 599 OG1 THR A 43 -0.819 13.437 0.866 1.00 73.15 O ATOM 600 CG2 THR A 43 -1.480 12.271 -1.143 1.00 61.51 C ATOM 0 H THR A 43 0.558 10.785 -1.643 1.00 31.14 H new ATOM 0 HA THR A 43 1.224 11.609 0.899 1.00 11.45 H new ATOM 0 HB THR A 43 0.423 13.162 -0.765 1.00 42.44 H new ATOM 0 HG1 THR A 43 -1.228 14.247 0.497 1.00 73.15 H new ATOM 0 HG21 THR A 43 -1.922 13.189 -1.531 1.00 61.51 H new ATOM 0 HG22 THR A 43 -1.103 11.672 -1.972 1.00 61.51 H new ATOM 0 HG23 THR A 43 -2.237 11.705 -0.601 1.00 61.51 H new ATOM 608 N ALA A 44 -1.600 9.909 0.783 1.00 42.01 N ATOM 609 CA ALA A 44 -2.591 9.216 1.597 1.00 64.22 C ATOM 610 C ALA A 44 -1.938 8.141 2.460 1.00 44.52 C ATOM 611 O ALA A 44 -2.341 7.917 3.601 1.00 55.20 O ATOM 612 CB ALA A 44 -3.666 8.603 0.711 1.00 4.04 C ATOM 0 H ALA A 44 -1.694 9.753 -0.221 1.00 42.01 H new ATOM 0 HA ALA A 44 -3.055 9.946 2.261 1.00 64.22 H new ATOM 0 HB1 ALA A 44 -4.399 8.089 1.332 1.00 4.04 H new ATOM 0 HB2 ALA A 44 -4.161 9.390 0.142 1.00 4.04 H new ATOM 0 HB3 ALA A 44 -3.209 7.891 0.024 1.00 4.04 H new ATOM 618 N VAL A 45 -0.926 7.479 1.907 1.00 33.24 N ATOM 619 CA VAL A 45 -0.217 6.428 2.627 1.00 20.21 C ATOM 620 C VAL A 45 0.634 7.009 3.750 1.00 0.05 C ATOM 621 O VAL A 45 0.759 6.415 4.822 1.00 74.24 O ATOM 622 CB VAL A 45 0.686 5.612 1.683 1.00 43.31 C ATOM 623 CG1 VAL A 45 1.441 4.542 2.457 1.00 15.23 C ATOM 624 CG2 VAL A 45 -0.136 4.992 0.563 1.00 0.14 C ATOM 0 H VAL A 45 -0.579 7.652 0.963 1.00 33.24 H new ATOM 0 HA VAL A 45 -0.974 5.770 3.053 1.00 20.21 H new ATOM 0 HB VAL A 45 1.417 6.286 1.236 1.00 43.31 H new ATOM 0 HG11 VAL A 45 2.073 3.976 1.773 1.00 15.23 H new ATOM 0 HG12 VAL A 45 2.062 5.014 3.219 1.00 15.23 H new ATOM 0 HG13 VAL A 45 0.730 3.868 2.935 1.00 15.23 H new ATOM 0 HG21 VAL A 45 0.518 4.419 -0.094 1.00 0.14 H new ATOM 0 HG22 VAL A 45 -0.891 4.331 0.989 1.00 0.14 H new ATOM 0 HG23 VAL A 45 -0.625 5.781 -0.009 1.00 0.14 H new ATOM 634 N LYS A 46 1.219 8.176 3.499 1.00 35.45 N ATOM 635 CA LYS A 46 2.057 8.840 4.490 1.00 43.44 C ATOM 636 C LYS A 46 1.329 8.965 5.824 1.00 1.01 C ATOM 637 O LYS A 46 1.860 8.589 6.869 1.00 74.02 O ATOM 638 CB LYS A 46 2.470 10.227 3.990 1.00 21.23 C ATOM 639 CG LYS A 46 3.652 10.816 4.740 1.00 1.42 C ATOM 640 CD LYS A 46 3.679 12.332 4.635 1.00 65.00 C ATOM 641 CE LYS A 46 4.361 12.962 5.840 1.00 42.12 C ATOM 642 NZ LYS A 46 5.843 12.978 5.693 1.00 21.12 N ATOM 0 H LYS A 46 1.128 8.681 2.618 1.00 35.45 H new ATOM 0 HA LYS A 46 2.950 8.233 4.640 1.00 43.44 H new ATOM 0 HB2 LYS A 46 2.718 10.163 2.930 1.00 21.23 H new ATOM 0 HB3 LYS A 46 1.620 10.904 4.078 1.00 21.23 H new ATOM 0 HG2 LYS A 46 3.601 10.524 5.789 1.00 1.42 H new ATOM 0 HG3 LYS A 46 4.579 10.406 4.340 1.00 1.42 H new ATOM 0 HD2 LYS A 46 4.202 12.625 3.725 1.00 65.00 H new ATOM 0 HD3 LYS A 46 2.660 12.710 4.553 1.00 65.00 H new ATOM 0 HE2 LYS A 46 3.998 13.981 5.971 1.00 42.12 H new ATOM 0 HE3 LYS A 46 4.091 12.409 6.740 1.00 42.12 H new ATOM 0 HZ1 LYS A 46 6.271 13.415 6.534 1.00 21.12 H new ATOM 0 HZ2 LYS A 46 6.193 12.004 5.593 1.00 21.12 H new ATOM 0 HZ3 LYS A 46 6.102 13.527 4.848 1.00 21.12 H new ATOM 656 N ALA A 47 0.111 9.494 5.781 1.00 74.11 N ATOM 657 CA ALA A 47 -0.691 9.664 6.986 1.00 12.42 C ATOM 658 C ALA A 47 -1.013 8.318 7.626 1.00 12.43 C ATOM 659 O ALA A 47 -1.162 8.219 8.844 1.00 51.32 O ATOM 660 CB ALA A 47 -1.973 10.418 6.665 1.00 52.31 C ATOM 0 H ALA A 47 -0.342 9.812 4.924 1.00 74.11 H new ATOM 0 HA ALA A 47 -0.109 10.246 7.700 1.00 12.42 H new ATOM 0 HB1 ALA A 47 -2.562 10.538 7.574 1.00 52.31 H new ATOM 0 HB2 ALA A 47 -1.726 11.400 6.261 1.00 52.31 H new ATOM 0 HB3 ALA A 47 -2.550 9.858 5.930 1.00 52.31 H new ATOM 666 N ALA A 48 -1.120 7.285 6.798 1.00 61.32 N ATOM 667 CA ALA A 48 -1.423 5.944 7.284 1.00 41.33 C ATOM 668 C ALA A 48 -0.361 5.464 8.267 1.00 32.21 C ATOM 669 O ALA A 48 -0.676 4.824 9.271 1.00 0.11 O ATOM 670 CB ALA A 48 -1.542 4.975 6.117 1.00 34.43 C ATOM 0 H ALA A 48 -1.001 7.350 5.787 1.00 61.32 H new ATOM 0 HA ALA A 48 -2.377 5.981 7.810 1.00 41.33 H new ATOM 0 HB1 ALA A 48 -1.768 3.978 6.494 1.00 34.43 H new ATOM 0 HB2 ALA A 48 -2.342 5.302 5.453 1.00 34.43 H new ATOM 0 HB3 ALA A 48 -0.601 4.950 5.567 1.00 34.43 H new ATOM 676 N ILE A 49 0.896 5.775 7.972 1.00 43.13 N ATOM 677 CA ILE A 49 2.004 5.375 8.831 1.00 72.13 C ATOM 678 C ILE A 49 1.803 5.877 10.256 1.00 0.15 C ATOM 679 O ILE A 49 1.806 5.095 11.207 1.00 44.51 O ATOM 680 CB ILE A 49 3.349 5.902 8.297 1.00 10.24 C ATOM 681 CG1 ILE A 49 3.586 5.406 6.870 1.00 64.43 C ATOM 682 CG2 ILE A 49 4.487 5.470 9.210 1.00 13.13 C ATOM 683 CD1 ILE A 49 4.762 6.069 6.187 1.00 54.33 C ATOM 0 H ILE A 49 1.173 6.303 7.144 1.00 43.13 H new ATOM 0 HA ILE A 49 2.025 4.285 8.832 1.00 72.13 H new ATOM 0 HB ILE A 49 3.315 6.991 8.281 1.00 10.24 H new ATOM 0 HG12 ILE A 49 3.749 4.328 6.891 1.00 64.43 H new ATOM 0 HG13 ILE A 49 2.687 5.581 6.279 1.00 64.43 H new ATOM 0 HG21 ILE A 49 5.431 5.850 8.819 1.00 13.13 H new ATOM 0 HG22 ILE A 49 4.322 5.869 10.211 1.00 13.13 H new ATOM 0 HG23 ILE A 49 4.525 4.382 9.254 1.00 13.13 H new ATOM 0 HD11 ILE A 49 4.870 5.669 5.179 1.00 54.33 H new ATOM 0 HD12 ILE A 49 4.593 7.145 6.134 1.00 54.33 H new ATOM 0 HD13 ILE A 49 5.671 5.872 6.755 1.00 54.33 H new ATOM 695 N ALA A 50 1.626 7.187 10.397 1.00 25.23 N ATOM 696 CA ALA A 50 1.420 7.793 11.707 1.00 50.45 C ATOM 697 C ALA A 50 0.116 7.313 12.334 1.00 12.43 C ATOM 698 O ALA A 50 -0.067 7.394 13.549 1.00 13.02 O ATOM 699 CB ALA A 50 1.426 9.311 11.592 1.00 30.41 C ATOM 0 H ALA A 50 1.621 7.848 9.621 1.00 25.23 H new ATOM 0 HA ALA A 50 2.240 7.485 12.356 1.00 50.45 H new ATOM 0 HB1 ALA A 50 1.271 9.751 12.577 1.00 30.41 H new ATOM 0 HB2 ALA A 50 2.385 9.642 11.193 1.00 30.41 H new ATOM 0 HB3 ALA A 50 0.626 9.628 10.923 1.00 30.41 H new ATOM 705 N LYS A 51 -0.789 6.814 11.499 1.00 0.40 N ATOM 706 CA LYS A 51 -2.077 6.320 11.971 1.00 0.54 C ATOM 707 C LYS A 51 -1.929 4.946 12.616 1.00 75.33 C ATOM 708 O LYS A 51 -2.253 4.763 13.789 1.00 73.12 O ATOM 709 CB LYS A 51 -3.075 6.248 10.813 1.00 4.22 C ATOM 710 CG LYS A 51 -4.523 6.390 11.248 1.00 1.42 C ATOM 711 CD LYS A 51 -4.960 7.846 11.264 1.00 73.55 C ATOM 712 CE LYS A 51 -5.333 8.330 9.871 1.00 43.22 C ATOM 713 NZ LYS A 51 -6.699 7.889 9.477 1.00 73.22 N ATOM 0 H LYS A 51 -0.654 6.741 10.491 1.00 0.40 H new ATOM 0 HA LYS A 51 -2.452 7.016 12.722 1.00 0.54 H new ATOM 0 HB2 LYS A 51 -2.842 7.033 10.094 1.00 4.22 H new ATOM 0 HB3 LYS A 51 -2.951 5.296 10.297 1.00 4.22 H new ATOM 0 HG2 LYS A 51 -5.164 5.824 10.572 1.00 1.42 H new ATOM 0 HG3 LYS A 51 -4.649 5.960 12.242 1.00 1.42 H new ATOM 0 HD2 LYS A 51 -5.813 7.964 11.932 1.00 73.55 H new ATOM 0 HD3 LYS A 51 -4.156 8.464 11.662 1.00 73.55 H new ATOM 0 HE2 LYS A 51 -5.279 9.418 9.838 1.00 43.22 H new ATOM 0 HE3 LYS A 51 -4.608 7.953 9.150 1.00 43.22 H new ATOM 0 HZ1 LYS A 51 -6.915 8.239 8.522 1.00 73.22 H new ATOM 0 HZ2 LYS A 51 -6.744 6.850 9.483 1.00 73.22 H new ATOM 0 HZ3 LYS A 51 -7.394 8.269 10.150 1.00 73.22 H new ATOM 727 N GLN A 52 -1.438 3.984 11.841 1.00 22.03 N ATOM 728 CA GLN A 52 -1.247 2.626 12.338 1.00 11.41 C ATOM 729 C GLN A 52 0.214 2.379 12.699 1.00 11.23 C ATOM 730 O GLN A 52 0.576 2.343 13.875 1.00 74.34 O ATOM 731 CB GLN A 52 -1.705 1.609 11.292 1.00 34.20 C ATOM 732 CG GLN A 52 -3.173 1.232 11.412 1.00 31.33 C ATOM 733 CD GLN A 52 -3.481 0.488 12.697 1.00 72.22 C ATOM 734 OE1 GLN A 52 -2.988 -0.618 12.921 1.00 74.23 O ATOM 735 NE2 GLN A 52 -4.300 1.092 13.550 1.00 52.45 N ATOM 0 H GLN A 52 -1.165 4.119 10.867 1.00 22.03 H new ATOM 0 HA GLN A 52 -1.850 2.507 13.238 1.00 11.41 H new ATOM 0 HB2 GLN A 52 -1.523 2.016 10.297 1.00 34.20 H new ATOM 0 HB3 GLN A 52 -1.098 0.708 11.383 1.00 34.20 H new ATOM 0 HG2 GLN A 52 -3.781 2.135 11.365 1.00 31.33 H new ATOM 0 HG3 GLN A 52 -3.456 0.612 10.561 1.00 31.33 H new ATOM 0 HE21 GLN A 52 -4.686 2.009 13.324 1.00 52.45 H new ATOM 0 HE22 GLN A 52 -4.543 0.639 14.431 1.00 52.45 H new ATOM 744 N GLY A 53 1.050 2.209 11.680 1.00 41.35 N ATOM 745 CA GLY A 53 2.462 1.967 11.911 1.00 62.04 C ATOM 746 C GLY A 53 3.223 1.703 10.626 1.00 10.43 C ATOM 747 O GLY A 53 2.648 1.243 9.640 1.00 55.54 O ATOM 0 H GLY A 53 0.775 2.235 10.698 1.00 41.35 H new ATOM 0 HA2 GLY A 53 2.897 2.829 12.417 1.00 62.04 H new ATOM 0 HA3 GLY A 53 2.577 1.114 12.579 1.00 62.04 H new ATOM 751 N ILE A 54 4.519 1.997 10.637 1.00 31.44 N ATOM 752 CA ILE A 54 5.359 1.789 9.464 1.00 33.23 C ATOM 753 C ILE A 54 5.209 0.370 8.926 1.00 44.04 C ATOM 754 O ILE A 54 5.241 0.147 7.715 1.00 24.33 O ATOM 755 CB ILE A 54 6.843 2.052 9.780 1.00 13.35 C ATOM 756 CG1 ILE A 54 7.266 1.277 11.030 1.00 61.23 C ATOM 757 CG2 ILE A 54 7.088 3.542 9.967 1.00 41.21 C ATOM 758 CD1 ILE A 54 8.718 1.479 11.403 1.00 12.14 C ATOM 0 H ILE A 54 5.010 2.380 11.445 1.00 31.44 H new ATOM 0 HA ILE A 54 5.026 2.499 8.707 1.00 33.23 H new ATOM 0 HB ILE A 54 7.445 1.706 8.940 1.00 13.35 H new ATOM 0 HG12 ILE A 54 6.638 1.583 11.867 1.00 61.23 H new ATOM 0 HG13 ILE A 54 7.085 0.214 10.867 1.00 61.23 H new ATOM 0 HG21 ILE A 54 8.141 3.712 10.190 1.00 41.21 H new ATOM 0 HG22 ILE A 54 6.820 4.072 9.053 1.00 41.21 H new ATOM 0 HG23 ILE A 54 6.478 3.910 10.792 1.00 41.21 H new ATOM 0 HD11 ILE A 54 8.948 0.900 12.298 1.00 12.14 H new ATOM 0 HD12 ILE A 54 9.354 1.147 10.583 1.00 12.14 H new ATOM 0 HD13 ILE A 54 8.900 2.536 11.598 1.00 12.14 H new ATOM 770 N LYS A 55 5.044 -0.587 9.833 1.00 43.14 N ATOM 771 CA LYS A 55 4.886 -1.985 9.450 1.00 24.03 C ATOM 772 C LYS A 55 3.703 -2.160 8.504 1.00 60.01 C ATOM 773 O LYS A 55 3.806 -2.841 7.483 1.00 1.13 O ATOM 774 CB LYS A 55 4.692 -2.856 10.693 1.00 21.24 C ATOM 775 CG LYS A 55 3.567 -2.383 11.598 1.00 60.54 C ATOM 776 CD LYS A 55 3.543 -3.153 12.907 1.00 23.54 C ATOM 777 CE LYS A 55 4.455 -2.517 13.945 1.00 50.51 C ATOM 778 NZ LYS A 55 3.914 -1.220 14.438 1.00 54.34 N ATOM 0 H LYS A 55 5.016 -0.420 10.839 1.00 43.14 H new ATOM 0 HA LYS A 55 5.792 -2.298 8.931 1.00 24.03 H new ATOM 0 HB2 LYS A 55 4.489 -3.880 10.380 1.00 21.24 H new ATOM 0 HB3 LYS A 55 5.621 -2.874 11.262 1.00 21.24 H new ATOM 0 HG2 LYS A 55 3.687 -1.319 11.803 1.00 60.54 H new ATOM 0 HG3 LYS A 55 2.612 -2.504 11.086 1.00 60.54 H new ATOM 0 HD2 LYS A 55 2.523 -3.189 13.290 1.00 23.54 H new ATOM 0 HD3 LYS A 55 3.854 -4.183 12.730 1.00 23.54 H new ATOM 0 HE2 LYS A 55 4.582 -3.200 14.785 1.00 50.51 H new ATOM 0 HE3 LYS A 55 5.443 -2.358 13.512 1.00 50.51 H new ATOM 0 HZ1 LYS A 55 4.353 -0.986 15.351 1.00 54.34 H new ATOM 0 HZ2 LYS A 55 4.127 -0.471 13.749 1.00 54.34 H new ATOM 0 HZ3 LYS A 55 2.884 -1.297 14.558 1.00 54.34 H new ATOM 792 N LYS A 56 2.579 -1.540 8.848 1.00 24.11 N ATOM 793 CA LYS A 56 1.376 -1.624 8.028 1.00 24.44 C ATOM 794 C LYS A 56 1.584 -0.932 6.685 1.00 14.44 C ATOM 795 O LYS A 56 1.029 -1.349 5.669 1.00 10.12 O ATOM 796 CB LYS A 56 0.190 -0.995 8.761 1.00 12.35 C ATOM 797 CG LYS A 56 -0.339 -1.844 9.904 1.00 12.13 C ATOM 798 CD LYS A 56 -1.030 -3.098 9.394 1.00 3.42 C ATOM 799 CE LYS A 56 -2.036 -3.630 10.403 1.00 2.43 C ATOM 800 NZ LYS A 56 -1.366 -4.229 11.591 1.00 14.51 N ATOM 0 H LYS A 56 2.476 -0.973 9.690 1.00 24.11 H new ATOM 0 HA LYS A 56 1.164 -2.677 7.844 1.00 24.44 H new ATOM 0 HB2 LYS A 56 0.489 -0.022 9.151 1.00 12.35 H new ATOM 0 HB3 LYS A 56 -0.615 -0.819 8.048 1.00 12.35 H new ATOM 0 HG2 LYS A 56 0.484 -2.123 10.562 1.00 12.13 H new ATOM 0 HG3 LYS A 56 -1.039 -1.258 10.500 1.00 12.13 H new ATOM 0 HD2 LYS A 56 -1.537 -2.879 8.454 1.00 3.42 H new ATOM 0 HD3 LYS A 56 -0.285 -3.865 9.183 1.00 3.42 H new ATOM 0 HE2 LYS A 56 -2.690 -2.820 10.725 1.00 2.43 H new ATOM 0 HE3 LYS A 56 -2.667 -4.379 9.926 1.00 2.43 H new ATOM 0 HZ1 LYS A 56 -2.085 -4.580 12.255 1.00 14.51 H new ATOM 0 HZ2 LYS A 56 -0.761 -5.018 11.287 1.00 14.51 H new ATOM 0 HZ3 LYS A 56 -0.783 -3.507 12.061 1.00 14.51 H new ATOM 814 N ALA A 57 2.386 0.128 6.689 1.00 63.44 N ATOM 815 CA ALA A 57 2.669 0.875 5.470 1.00 41.41 C ATOM 816 C ALA A 57 3.220 -0.038 4.380 1.00 32.43 C ATOM 817 O ALA A 57 2.854 0.085 3.211 1.00 64.31 O ATOM 818 CB ALA A 57 3.647 2.005 5.759 1.00 62.45 C ATOM 0 H ALA A 57 2.851 0.488 7.522 1.00 63.44 H new ATOM 0 HA ALA A 57 1.733 1.302 5.110 1.00 41.41 H new ATOM 0 HB1 ALA A 57 3.850 2.555 4.840 1.00 62.45 H new ATOM 0 HB2 ALA A 57 3.215 2.680 6.498 1.00 62.45 H new ATOM 0 HB3 ALA A 57 4.578 1.591 6.147 1.00 62.45 H new ATOM 824 N ILE A 58 4.100 -0.954 4.771 1.00 1.43 N ATOM 825 CA ILE A 58 4.700 -1.888 3.827 1.00 3.12 C ATOM 826 C ILE A 58 3.631 -2.676 3.078 1.00 11.23 C ATOM 827 O ILE A 58 3.545 -2.613 1.852 1.00 12.43 O ATOM 828 CB ILE A 58 5.647 -2.875 4.536 1.00 12.42 C ATOM 829 CG1 ILE A 58 6.753 -2.115 5.272 1.00 35.11 C ATOM 830 CG2 ILE A 58 6.244 -3.850 3.533 1.00 40.45 C ATOM 831 CD1 ILE A 58 7.711 -3.016 6.019 1.00 73.41 C ATOM 0 H ILE A 58 4.413 -1.069 5.735 1.00 1.43 H new ATOM 0 HA ILE A 58 5.274 -1.293 3.117 1.00 3.12 H new ATOM 0 HB ILE A 58 5.073 -3.444 5.268 1.00 12.42 H new ATOM 0 HG12 ILE A 58 7.314 -1.519 4.552 1.00 35.11 H new ATOM 0 HG13 ILE A 58 6.298 -1.419 5.976 1.00 35.11 H new ATOM 0 HG21 ILE A 58 6.911 -4.541 4.049 1.00 40.45 H new ATOM 0 HG22 ILE A 58 5.444 -4.411 3.050 1.00 40.45 H new ATOM 0 HG23 ILE A 58 6.806 -3.298 2.780 1.00 40.45 H new ATOM 0 HD11 ILE A 58 8.468 -2.410 6.517 1.00 73.41 H new ATOM 0 HD12 ILE A 58 7.162 -3.594 6.763 1.00 73.41 H new ATOM 0 HD13 ILE A 58 8.194 -3.695 5.317 1.00 73.41 H new ATOM 843 N GLN A 59 2.817 -3.416 3.825 1.00 44.22 N ATOM 844 CA GLN A 59 1.752 -4.215 3.231 1.00 63.11 C ATOM 845 C GLN A 59 0.821 -3.345 2.393 1.00 11.14 C ATOM 846 O GLN A 59 0.196 -3.821 1.445 1.00 53.43 O ATOM 847 CB GLN A 59 0.956 -4.933 4.322 1.00 55.32 C ATOM 848 CG GLN A 59 1.616 -6.208 4.818 1.00 24.45 C ATOM 849 CD GLN A 59 0.784 -6.929 5.861 1.00 64.02 C ATOM 850 OE1 GLN A 59 -0.275 -7.478 5.556 1.00 40.44 O ATOM 851 NE2 GLN A 59 1.261 -6.932 7.100 1.00 15.24 N ATOM 0 H GLN A 59 2.875 -3.478 4.841 1.00 44.22 H new ATOM 0 HA GLN A 59 2.210 -4.957 2.578 1.00 63.11 H new ATOM 0 HB2 GLN A 59 0.817 -4.255 5.164 1.00 55.32 H new ATOM 0 HB3 GLN A 59 -0.036 -5.173 3.938 1.00 55.32 H new ATOM 0 HG2 GLN A 59 1.790 -6.875 3.973 1.00 24.45 H new ATOM 0 HG3 GLN A 59 2.592 -5.967 5.240 1.00 24.45 H new ATOM 0 HE21 GLN A 59 2.143 -6.464 7.308 1.00 15.24 H new ATOM 0 HE22 GLN A 59 0.745 -7.402 7.844 1.00 15.24 H new ATOM 860 N LEU A 60 0.732 -2.068 2.750 1.00 25.41 N ATOM 861 CA LEU A 60 -0.123 -1.131 2.032 1.00 54.35 C ATOM 862 C LEU A 60 0.377 -0.919 0.606 1.00 31.22 C ATOM 863 O LEU A 60 -0.390 -1.011 -0.352 1.00 13.01 O ATOM 864 CB LEU A 60 -0.178 0.208 2.769 1.00 53.41 C ATOM 865 CG LEU A 60 -1.520 0.569 3.407 1.00 33.30 C ATOM 866 CD1 LEU A 60 -2.554 0.880 2.336 1.00 32.00 C ATOM 867 CD2 LEU A 60 -2.004 -0.560 4.306 1.00 61.24 C ATOM 0 H LEU A 60 1.242 -1.659 3.533 1.00 25.41 H new ATOM 0 HA LEU A 60 -1.126 -1.555 1.986 1.00 54.35 H new ATOM 0 HB2 LEU A 60 0.583 0.202 3.550 1.00 53.41 H new ATOM 0 HB3 LEU A 60 0.092 0.997 2.067 1.00 53.41 H new ATOM 0 HG LEU A 60 -1.381 1.460 4.019 1.00 33.30 H new ATOM 0 HD11 LEU A 60 -3.502 1.135 2.809 1.00 32.00 H new ATOM 0 HD12 LEU A 60 -2.212 1.721 1.733 1.00 32.00 H new ATOM 0 HD13 LEU A 60 -2.690 0.007 1.697 1.00 32.00 H new ATOM 0 HD21 LEU A 60 -2.960 -0.286 4.752 1.00 61.24 H new ATOM 0 HD22 LEU A 60 -2.126 -1.468 3.716 1.00 61.24 H new ATOM 0 HD23 LEU A 60 -1.273 -0.735 5.095 1.00 61.24 H new TER 879 LEU A 60