USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0828 X(o=-0.083,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= -0.431 (180deg=-1.58!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -121:sc= -0.637 (180deg=-1.44) USER MOD Single : A 34 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0395 K(o=-0.04,f=-0.91) USER MOD Single : A 44 SER OG : rot 180:sc= -0.582 USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0176) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= -0.0982 (180deg=-0.132) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= -0.0891 (180deg=-0.514) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 3.728 0.246 -1.405 1.00 64.32 N ATOM 19 CA ALA A 2 5.007 -0.429 -1.217 1.00 52.25 C ATOM 20 C ALA A 2 6.088 0.555 -0.784 1.00 43.22 C ATOM 21 O ALA A 2 6.408 1.499 -1.506 1.00 32.11 O ATOM 22 CB ALA A 2 5.421 -1.141 -2.497 1.00 34.24 C ATOM 0 HA ALA A 2 4.887 -1.168 -0.425 1.00 52.25 H new ATOM 0 HB1 ALA A 2 6.377 -1.641 -2.342 1.00 34.24 H new ATOM 0 HB2 ALA A 2 4.665 -1.879 -2.764 1.00 34.24 H new ATOM 0 HB3 ALA A 2 5.518 -0.414 -3.303 1.00 34.24 H new ATOM 28 N GLY A 3 6.648 0.328 0.400 1.00 5.32 N ATOM 29 CA GLY A 3 7.688 1.204 0.909 1.00 14.23 C ATOM 30 C GLY A 3 9.067 0.814 0.417 1.00 41.31 C ATOM 31 O GLY A 3 9.930 1.671 0.223 1.00 70.24 O ATOM 0 H GLY A 3 6.400 -0.446 1.016 1.00 5.32 H new ATOM 0 HA2 GLY A 3 7.475 2.229 0.607 1.00 14.23 H new ATOM 0 HA3 GLY A 3 7.675 1.183 1.999 1.00 14.23 H new ATOM 35 N PHE A 4 9.277 -0.482 0.216 1.00 63.41 N ATOM 36 CA PHE A 4 10.563 -0.985 -0.254 1.00 41.43 C ATOM 37 C PHE A 4 10.990 -0.272 -1.534 1.00 43.11 C ATOM 38 O PHE A 4 12.171 0.019 -1.732 1.00 12.00 O ATOM 39 CB PHE A 4 10.487 -2.493 -0.498 1.00 61.23 C ATOM 40 CG PHE A 4 11.667 -3.039 -1.250 1.00 63.10 C ATOM 41 CD1 PHE A 4 12.795 -3.474 -0.573 1.00 64.15 C ATOM 42 CD2 PHE A 4 11.649 -3.117 -2.633 1.00 53.43 C ATOM 43 CE1 PHE A 4 13.883 -3.977 -1.262 1.00 61.42 C ATOM 44 CE2 PHE A 4 12.733 -3.619 -3.327 1.00 61.23 C ATOM 45 CZ PHE A 4 13.852 -4.049 -2.641 1.00 41.00 C ATOM 0 H PHE A 4 8.573 -1.204 0.371 1.00 63.41 H new ATOM 0 HA PHE A 4 11.307 -0.786 0.518 1.00 41.43 H new ATOM 0 HB2 PHE A 4 10.409 -3.005 0.461 1.00 61.23 H new ATOM 0 HB3 PHE A 4 9.577 -2.718 -1.054 1.00 61.23 H new ATOM 0 HD1 PHE A 4 12.825 -3.420 0.505 1.00 64.15 H new ATOM 0 HD2 PHE A 4 10.777 -2.781 -3.175 1.00 53.43 H new ATOM 0 HE1 PHE A 4 14.756 -4.313 -0.723 1.00 61.42 H new ATOM 0 HE2 PHE A 4 12.705 -3.675 -4.405 1.00 61.23 H new ATOM 0 HZ PHE A 4 14.701 -4.441 -3.182 1.00 41.00 H new ATOM 55 N LEU A 5 10.022 0.006 -2.400 1.00 44.04 N ATOM 56 CA LEU A 5 10.297 0.684 -3.663 1.00 12.45 C ATOM 57 C LEU A 5 10.456 2.186 -3.450 1.00 53.41 C ATOM 58 O LEU A 5 11.115 2.869 -4.234 1.00 54.35 O ATOM 59 CB LEU A 5 9.172 0.415 -4.664 1.00 10.53 C ATOM 60 CG LEU A 5 9.205 -0.945 -5.361 1.00 43.23 C ATOM 61 CD1 LEU A 5 7.814 -1.557 -5.403 1.00 70.34 C ATOM 62 CD2 LEU A 5 9.773 -0.810 -6.767 1.00 3.34 C ATOM 0 H LEU A 5 9.040 -0.227 -2.251 1.00 44.04 H new ATOM 0 HA LEU A 5 11.232 0.291 -4.063 1.00 12.45 H new ATOM 0 HB2 LEU A 5 8.219 0.511 -4.144 1.00 10.53 H new ATOM 0 HB3 LEU A 5 9.198 1.193 -5.427 1.00 10.53 H new ATOM 0 HG LEU A 5 9.854 -1.609 -4.790 1.00 43.23 H new ATOM 0 HD11 LEU A 5 7.857 -2.525 -5.903 1.00 70.34 H new ATOM 0 HD12 LEU A 5 7.444 -1.690 -4.386 1.00 70.34 H new ATOM 0 HD13 LEU A 5 7.142 -0.896 -5.950 1.00 70.34 H new ATOM 0 HD21 LEU A 5 9.789 -1.788 -7.248 1.00 3.34 H new ATOM 0 HD22 LEU A 5 9.150 -0.130 -7.348 1.00 3.34 H new ATOM 0 HD23 LEU A 5 10.788 -0.415 -6.713 1.00 3.34 H new ATOM 74 N LYS A 6 9.849 2.695 -2.383 1.00 2.21 N ATOM 75 CA LYS A 6 9.925 4.116 -2.064 1.00 24.23 C ATOM 76 C LYS A 6 11.253 4.452 -1.392 1.00 40.23 C ATOM 77 O LYS A 6 11.689 5.603 -1.399 1.00 4.30 O ATOM 78 CB LYS A 6 8.764 4.518 -1.151 1.00 61.54 C ATOM 79 CG LYS A 6 8.280 5.940 -1.374 1.00 74.31 C ATOM 80 CD LYS A 6 7.384 6.408 -0.239 1.00 70.24 C ATOM 81 CE LYS A 6 7.407 7.922 -0.099 1.00 42.24 C ATOM 82 NZ LYS A 6 6.771 8.597 -1.265 1.00 20.24 N ATOM 0 H LYS A 6 9.299 2.144 -1.724 1.00 2.21 H new ATOM 0 HA LYS A 6 9.857 4.676 -2.997 1.00 24.23 H new ATOM 0 HB2 LYS A 6 7.933 3.831 -1.310 1.00 61.54 H new ATOM 0 HB3 LYS A 6 9.075 4.407 -0.112 1.00 61.54 H new ATOM 0 HG2 LYS A 6 9.137 6.608 -1.461 1.00 74.31 H new ATOM 0 HG3 LYS A 6 7.735 5.996 -2.316 1.00 74.31 H new ATOM 0 HD2 LYS A 6 6.362 6.074 -0.419 1.00 70.24 H new ATOM 0 HD3 LYS A 6 7.709 5.950 0.695 1.00 70.24 H new ATOM 0 HE2 LYS A 6 6.888 8.210 0.815 1.00 42.24 H new ATOM 0 HE3 LYS A 6 8.438 8.262 -0.001 1.00 42.24 H new ATOM 0 HZ1 LYS A 6 6.807 9.628 -1.131 1.00 20.24 H new ATOM 0 HZ2 LYS A 6 7.282 8.343 -2.134 1.00 20.24 H new ATOM 0 HZ3 LYS A 6 5.780 8.292 -1.344 1.00 20.24 H new ATOM 96 N VAL A 7 11.892 3.440 -0.814 1.00 70.02 N ATOM 97 CA VAL A 7 13.171 3.628 -0.141 1.00 4.22 C ATOM 98 C VAL A 7 14.336 3.367 -1.090 1.00 14.21 C ATOM 99 O VAL A 7 15.499 3.403 -0.688 1.00 34.43 O ATOM 100 CB VAL A 7 13.303 2.702 1.083 1.00 62.13 C ATOM 101 CG1 VAL A 7 12.221 3.011 2.106 1.00 41.21 C ATOM 102 CG2 VAL A 7 13.243 1.243 0.655 1.00 11.31 C ATOM 0 H VAL A 7 11.544 2.481 -0.798 1.00 70.02 H new ATOM 0 HA VAL A 7 13.203 4.665 0.192 1.00 4.22 H new ATOM 0 HB VAL A 7 14.272 2.881 1.550 1.00 62.13 H new ATOM 0 HG11 VAL A 7 12.331 2.347 2.963 1.00 41.21 H new ATOM 0 HG12 VAL A 7 12.316 4.046 2.434 1.00 41.21 H new ATOM 0 HG13 VAL A 7 11.240 2.862 1.655 1.00 41.21 H new ATOM 0 HG21 VAL A 7 13.338 0.602 1.532 1.00 11.31 H new ATOM 0 HG22 VAL A 7 12.290 1.047 0.164 1.00 11.31 H new ATOM 0 HG23 VAL A 7 14.058 1.033 -0.037 1.00 11.31 H new ATOM 112 N VAL A 8 14.015 3.105 -2.353 1.00 51.31 N ATOM 113 CA VAL A 8 15.034 2.840 -3.361 1.00 62.22 C ATOM 114 C VAL A 8 15.291 4.073 -4.221 1.00 23.54 C ATOM 115 O VAL A 8 16.386 4.252 -4.753 1.00 61.45 O ATOM 116 CB VAL A 8 14.629 1.667 -4.274 1.00 30.14 C ATOM 117 CG1 VAL A 8 15.660 1.465 -5.374 1.00 13.31 C ATOM 118 CG2 VAL A 8 14.452 0.395 -3.458 1.00 74.13 C ATOM 0 H VAL A 8 13.057 3.071 -2.702 1.00 51.31 H new ATOM 0 HA VAL A 8 15.947 2.577 -2.826 1.00 62.22 H new ATOM 0 HB VAL A 8 13.675 1.907 -4.744 1.00 30.14 H new ATOM 0 HG11 VAL A 8 15.357 0.632 -6.009 1.00 13.31 H new ATOM 0 HG12 VAL A 8 15.733 2.371 -5.975 1.00 13.31 H new ATOM 0 HG13 VAL A 8 16.630 1.246 -4.928 1.00 13.31 H new ATOM 0 HG21 VAL A 8 14.166 -0.424 -4.118 1.00 74.13 H new ATOM 0 HG22 VAL A 8 15.390 0.149 -2.960 1.00 74.13 H new ATOM 0 HG23 VAL A 8 13.673 0.548 -2.711 1.00 74.13 H new ATOM 128 N GLN A 9 14.275 4.919 -4.350 1.00 42.31 N ATOM 129 CA GLN A 9 14.392 6.136 -5.145 1.00 72.14 C ATOM 130 C GLN A 9 15.419 7.086 -4.539 1.00 43.13 C ATOM 131 O GLN A 9 16.032 7.888 -5.246 1.00 15.12 O ATOM 132 CB GLN A 9 13.035 6.833 -5.251 1.00 55.41 C ATOM 133 CG GLN A 9 12.359 7.056 -3.908 1.00 35.33 C ATOM 134 CD GLN A 9 11.428 8.252 -3.914 1.00 14.12 C ATOM 135 OE1 GLN A 9 10.205 8.102 -3.916 1.00 44.21 O ATOM 136 NE2 GLN A 9 12.002 9.449 -3.916 1.00 52.41 N ATOM 0 H GLN A 9 13.362 4.785 -3.915 1.00 42.31 H new ATOM 0 HA GLN A 9 14.728 5.857 -6.144 1.00 72.14 H new ATOM 0 HB2 GLN A 9 13.168 7.795 -5.746 1.00 55.41 H new ATOM 0 HB3 GLN A 9 12.378 6.237 -5.884 1.00 55.41 H new ATOM 0 HG2 GLN A 9 11.795 6.163 -3.637 1.00 35.33 H new ATOM 0 HG3 GLN A 9 13.121 7.197 -3.141 1.00 35.33 H new ATOM 0 HE21 GLN A 9 13.019 9.527 -3.914 1.00 52.41 H new ATOM 0 HE22 GLN A 9 11.426 10.291 -3.919 1.00 52.41 H new ATOM 145 N LEU A 10 15.604 6.991 -3.227 1.00 54.22 N ATOM 146 CA LEU A 10 16.557 7.843 -2.525 1.00 64.10 C ATOM 147 C LEU A 10 17.990 7.389 -2.788 1.00 74.31 C ATOM 148 O LEU A 10 18.942 8.131 -2.545 1.00 63.22 O ATOM 149 CB LEU A 10 16.274 7.829 -1.022 1.00 33.41 C ATOM 150 CG LEU A 10 14.824 8.085 -0.610 1.00 74.31 C ATOM 151 CD1 LEU A 10 14.708 8.183 0.903 1.00 32.10 C ATOM 152 CD2 LEU A 10 14.297 9.351 -1.270 1.00 63.34 C ATOM 0 H LEU A 10 15.106 6.332 -2.628 1.00 54.22 H new ATOM 0 HA LEU A 10 16.442 8.860 -2.901 1.00 64.10 H new ATOM 0 HB2 LEU A 10 16.578 6.861 -0.624 1.00 33.41 H new ATOM 0 HB3 LEU A 10 16.904 8.581 -0.547 1.00 33.41 H new ATOM 0 HG LEU A 10 14.218 7.244 -0.947 1.00 74.31 H new ATOM 0 HD11 LEU A 10 13.669 8.365 1.177 1.00 32.10 H new ATOM 0 HD12 LEU A 10 15.044 7.250 1.355 1.00 32.10 H new ATOM 0 HD13 LEU A 10 15.328 9.004 1.263 1.00 32.10 H new ATOM 0 HD21 LEU A 10 13.264 9.517 -0.965 1.00 63.34 H new ATOM 0 HD22 LEU A 10 14.907 10.201 -0.965 1.00 63.34 H new ATOM 0 HD23 LEU A 10 14.343 9.242 -2.354 1.00 63.34 H new ATOM 164 N LEU A 11 18.135 6.166 -3.288 1.00 14.43 N ATOM 165 CA LEU A 11 19.451 5.613 -3.587 1.00 11.23 C ATOM 166 C LEU A 11 19.927 6.055 -4.967 1.00 14.00 C ATOM 167 O LEU A 11 20.276 5.228 -5.808 1.00 65.40 O ATOM 168 CB LEU A 11 19.413 4.086 -3.513 1.00 31.24 C ATOM 169 CG LEU A 11 19.503 3.479 -2.112 1.00 1.32 C ATOM 170 CD1 LEU A 11 20.793 3.905 -1.428 1.00 21.20 C ATOM 171 CD2 LEU A 11 18.296 3.883 -1.277 1.00 44.11 C ATOM 0 H LEU A 11 17.357 5.539 -3.495 1.00 14.43 H new ATOM 0 HA LEU A 11 20.153 5.989 -2.843 1.00 11.23 H new ATOM 0 HB2 LEU A 11 18.488 3.743 -3.977 1.00 31.24 H new ATOM 0 HB3 LEU A 11 20.235 3.693 -4.111 1.00 31.24 H new ATOM 0 HG LEU A 11 19.507 2.393 -2.207 1.00 1.32 H new ATOM 0 HD11 LEU A 11 20.840 3.464 -0.432 1.00 21.20 H new ATOM 0 HD12 LEU A 11 21.646 3.566 -2.016 1.00 21.20 H new ATOM 0 HD13 LEU A 11 20.819 4.992 -1.345 1.00 21.20 H new ATOM 0 HD21 LEU A 11 18.377 3.442 -0.283 1.00 44.11 H new ATOM 0 HD22 LEU A 11 18.261 4.969 -1.190 1.00 44.11 H new ATOM 0 HD23 LEU A 11 17.385 3.528 -1.759 1.00 44.11 H new ATOM 183 N ALA A 12 19.939 7.365 -5.192 1.00 34.22 N ATOM 184 CA ALA A 12 20.375 7.917 -6.468 1.00 65.21 C ATOM 185 C ALA A 12 21.549 8.873 -6.280 1.00 73.41 C ATOM 186 O ALA A 12 22.462 8.921 -7.104 1.00 41.03 O ATOM 187 CB ALA A 12 19.220 8.626 -7.160 1.00 24.33 C ATOM 0 H ALA A 12 19.652 8.064 -4.507 1.00 34.22 H new ATOM 0 HA ALA A 12 20.709 7.092 -7.097 1.00 65.21 H new ATOM 0 HB1 ALA A 12 19.561 9.033 -8.112 1.00 24.33 H new ATOM 0 HB2 ALA A 12 18.412 7.917 -7.337 1.00 24.33 H new ATOM 0 HB3 ALA A 12 18.859 9.437 -6.527 1.00 24.33 H new ATOM 193 N LYS A 13 21.518 9.633 -5.191 1.00 32.33 N ATOM 194 CA LYS A 13 22.579 10.588 -4.893 1.00 73.42 C ATOM 195 C LYS A 13 23.868 9.867 -4.512 1.00 1.21 C ATOM 196 O LYS A 13 24.954 10.445 -4.569 1.00 53.32 O ATOM 197 CB LYS A 13 22.149 11.521 -3.759 1.00 43.43 C ATOM 198 CG LYS A 13 21.969 10.816 -2.426 1.00 55.32 C ATOM 199 CD LYS A 13 20.499 10.631 -2.088 1.00 53.31 C ATOM 200 CE LYS A 13 19.889 11.910 -1.533 1.00 63.40 C ATOM 201 NZ LYS A 13 19.303 12.757 -2.608 1.00 44.12 N ATOM 0 H LYS A 13 20.769 9.606 -4.499 1.00 32.33 H new ATOM 0 HA LYS A 13 22.765 11.179 -5.790 1.00 73.42 H new ATOM 0 HB2 LYS A 13 22.894 12.309 -3.646 1.00 43.43 H new ATOM 0 HB3 LYS A 13 21.212 12.005 -4.034 1.00 43.43 H new ATOM 0 HG2 LYS A 13 22.461 9.844 -2.458 1.00 55.32 H new ATOM 0 HG3 LYS A 13 22.454 11.393 -1.639 1.00 55.32 H new ATOM 0 HD2 LYS A 13 19.955 10.325 -2.982 1.00 53.31 H new ATOM 0 HD3 LYS A 13 20.391 9.829 -1.358 1.00 53.31 H new ATOM 0 HE2 LYS A 13 19.116 11.658 -0.807 1.00 63.40 H new ATOM 0 HE3 LYS A 13 20.654 12.476 -1.001 1.00 63.40 H new ATOM 0 HZ1 LYS A 13 18.504 13.301 -2.225 1.00 44.12 H new ATOM 0 HZ2 LYS A 13 20.027 13.412 -2.967 1.00 44.12 H new ATOM 0 HZ3 LYS A 13 18.969 12.151 -3.384 1.00 44.12 H new ATOM 215 N TYR A 14 23.741 8.603 -4.125 1.00 25.04 N ATOM 216 CA TYR A 14 24.897 7.804 -3.733 1.00 52.22 C ATOM 217 C TYR A 14 25.540 7.145 -4.949 1.00 63.32 C ATOM 218 O TYR A 14 26.763 7.130 -5.088 1.00 14.32 O ATOM 219 CB TYR A 14 24.485 6.737 -2.718 1.00 72.53 C ATOM 220 CG TYR A 14 23.789 7.297 -1.499 1.00 31.04 C ATOM 221 CD1 TYR A 14 24.484 8.056 -0.565 1.00 73.02 C ATOM 222 CD2 TYR A 14 22.436 7.068 -1.280 1.00 52.13 C ATOM 223 CE1 TYR A 14 23.852 8.569 0.551 1.00 50.21 C ATOM 224 CE2 TYR A 14 21.795 7.579 -0.168 1.00 24.33 C ATOM 225 CZ TYR A 14 22.508 8.328 0.745 1.00 11.12 C ATOM 226 OH TYR A 14 21.875 8.839 1.855 1.00 74.20 O ATOM 0 H TYR A 14 22.850 8.109 -4.074 1.00 25.04 H new ATOM 0 HA TYR A 14 25.628 8.469 -3.274 1.00 52.22 H new ATOM 0 HB2 TYR A 14 23.825 6.020 -3.205 1.00 72.53 H new ATOM 0 HB3 TYR A 14 25.372 6.189 -2.400 1.00 72.53 H new ATOM 0 HD1 TYR A 14 25.536 8.248 -0.714 1.00 73.02 H new ATOM 0 HD2 TYR A 14 21.876 6.480 -1.992 1.00 52.13 H new ATOM 0 HE1 TYR A 14 24.407 9.156 1.268 1.00 50.21 H new ATOM 0 HE2 TYR A 14 20.742 7.393 -0.014 1.00 24.33 H new ATOM 0 HH TYR A 14 20.930 8.579 1.841 1.00 74.20 H new ATOM 236 N GLY A 15 24.706 6.599 -5.829 1.00 41.33 N ATOM 237 CA GLY A 15 25.210 5.946 -7.023 1.00 23.20 C ATOM 238 C GLY A 15 24.529 4.618 -7.289 1.00 23.14 C ATOM 239 O GLY A 15 23.324 4.478 -7.082 1.00 11.43 O ATOM 0 H GLY A 15 23.690 6.597 -5.736 1.00 41.33 H new ATOM 0 HA2 GLY A 15 25.066 6.603 -7.881 1.00 23.20 H new ATOM 0 HA3 GLY A 15 26.283 5.786 -6.920 1.00 23.20 H new ATOM 243 N SER A 16 25.302 3.640 -7.750 1.00 23.11 N ATOM 244 CA SER A 16 24.765 2.318 -8.050 1.00 22.23 C ATOM 245 C SER A 16 25.400 1.258 -7.154 1.00 72.25 C ATOM 246 O SER A 16 25.486 0.087 -7.524 1.00 21.52 O ATOM 247 CB SER A 16 25.003 1.969 -9.520 1.00 62.21 C ATOM 248 OG SER A 16 24.630 3.043 -10.366 1.00 32.30 O ATOM 0 H SER A 16 26.302 3.738 -7.924 1.00 23.11 H new ATOM 0 HA SER A 16 23.692 2.336 -7.858 1.00 22.23 H new ATOM 0 HB2 SER A 16 26.055 1.729 -9.674 1.00 62.21 H new ATOM 0 HB3 SER A 16 24.431 1.079 -9.783 1.00 62.21 H new ATOM 0 HG SER A 16 24.793 2.796 -11.300 1.00 32.30 H new ATOM 254 N LYS A 17 25.843 1.678 -5.974 1.00 64.44 N ATOM 255 CA LYS A 17 26.470 0.767 -5.024 1.00 35.43 C ATOM 256 C LYS A 17 25.572 0.545 -3.810 1.00 70.04 C ATOM 257 O LYS A 17 25.157 -0.579 -3.531 1.00 31.22 O ATOM 258 CB LYS A 17 27.825 1.318 -4.575 1.00 31.52 C ATOM 259 CG LYS A 17 28.678 0.304 -3.832 1.00 71.32 C ATOM 260 CD LYS A 17 29.353 -0.665 -4.789 1.00 1.50 C ATOM 261 CE LYS A 17 30.061 -1.785 -4.042 1.00 14.54 C ATOM 262 NZ LYS A 17 30.872 -2.635 -4.956 1.00 5.25 N ATOM 0 H LYS A 17 25.779 2.644 -5.653 1.00 64.44 H new ATOM 0 HA LYS A 17 26.622 -0.190 -5.523 1.00 35.43 H new ATOM 0 HB2 LYS A 17 28.373 1.670 -5.449 1.00 31.52 H new ATOM 0 HB3 LYS A 17 27.661 2.183 -3.932 1.00 31.52 H new ATOM 0 HG2 LYS A 17 29.435 0.824 -3.245 1.00 71.32 H new ATOM 0 HG3 LYS A 17 28.056 -0.251 -3.129 1.00 71.32 H new ATOM 0 HD2 LYS A 17 28.609 -1.090 -5.463 1.00 1.50 H new ATOM 0 HD3 LYS A 17 30.072 -0.127 -5.406 1.00 1.50 H new ATOM 0 HE2 LYS A 17 30.707 -1.358 -3.275 1.00 14.54 H new ATOM 0 HE3 LYS A 17 29.323 -2.403 -3.530 1.00 14.54 H new ATOM 0 HZ1 LYS A 17 31.338 -3.386 -4.409 1.00 5.25 H new ATOM 0 HZ2 LYS A 17 30.252 -3.063 -5.673 1.00 5.25 H new ATOM 0 HZ3 LYS A 17 31.593 -2.050 -5.426 1.00 5.25 H new ATOM 276 N ALA A 18 25.275 1.625 -3.094 1.00 64.44 N ATOM 277 CA ALA A 18 24.424 1.548 -1.914 1.00 22.03 C ATOM 278 C ALA A 18 23.044 1.003 -2.266 1.00 63.01 C ATOM 279 O ALA A 18 22.347 0.453 -1.414 1.00 15.23 O ATOM 280 CB ALA A 18 24.302 2.917 -1.261 1.00 41.13 C ATOM 0 H ALA A 18 25.611 2.563 -3.311 1.00 64.44 H new ATOM 0 HA ALA A 18 24.888 0.860 -1.207 1.00 22.03 H new ATOM 0 HB1 ALA A 18 23.663 2.845 -0.381 1.00 41.13 H new ATOM 0 HB2 ALA A 18 25.290 3.268 -0.964 1.00 41.13 H new ATOM 0 HB3 ALA A 18 23.865 3.620 -1.970 1.00 41.13 H new ATOM 286 N VAL A 19 22.656 1.159 -3.528 1.00 13.53 N ATOM 287 CA VAL A 19 21.359 0.683 -3.993 1.00 31.51 C ATOM 288 C VAL A 19 21.341 -0.838 -4.108 1.00 45.54 C ATOM 289 O VAL A 19 20.297 -1.469 -3.953 1.00 72.10 O ATOM 290 CB VAL A 19 20.993 1.294 -5.358 1.00 53.42 C ATOM 291 CG1 VAL A 19 21.925 0.777 -6.443 1.00 4.23 C ATOM 292 CG2 VAL A 19 19.542 0.995 -5.704 1.00 31.11 C ATOM 0 H VAL A 19 23.222 1.611 -4.246 1.00 13.53 H new ATOM 0 HA VAL A 19 20.623 0.998 -3.254 1.00 31.51 H new ATOM 0 HB VAL A 19 21.113 2.376 -5.295 1.00 53.42 H new ATOM 0 HG11 VAL A 19 21.650 1.220 -7.400 1.00 4.23 H new ATOM 0 HG12 VAL A 19 22.952 1.047 -6.199 1.00 4.23 H new ATOM 0 HG13 VAL A 19 21.841 -0.308 -6.508 1.00 4.23 H new ATOM 0 HG21 VAL A 19 19.301 1.434 -6.672 1.00 31.11 H new ATOM 0 HG22 VAL A 19 19.393 -0.084 -5.748 1.00 31.11 H new ATOM 0 HG23 VAL A 19 18.891 1.420 -4.940 1.00 31.11 H new ATOM 302 N GLN A 20 22.505 -1.418 -4.382 1.00 25.15 N ATOM 303 CA GLN A 20 22.623 -2.865 -4.518 1.00 5.00 C ATOM 304 C GLN A 20 22.207 -3.569 -3.231 1.00 1.13 C ATOM 305 O GLN A 20 21.564 -4.618 -3.266 1.00 13.22 O ATOM 306 CB GLN A 20 24.059 -3.249 -4.882 1.00 11.33 C ATOM 307 CG GLN A 20 24.156 -4.505 -5.732 1.00 32.21 C ATOM 308 CD GLN A 20 25.565 -5.062 -5.792 1.00 35.02 C ATOM 309 OE1 GLN A 20 26.395 -4.598 -6.574 1.00 20.32 O ATOM 310 NE2 GLN A 20 25.842 -6.062 -4.964 1.00 33.33 N ATOM 0 H GLN A 20 23.379 -0.909 -4.514 1.00 25.15 H new ATOM 0 HA GLN A 20 21.955 -3.185 -5.318 1.00 5.00 H new ATOM 0 HB2 GLN A 20 24.523 -2.421 -5.418 1.00 11.33 H new ATOM 0 HB3 GLN A 20 24.630 -3.396 -3.965 1.00 11.33 H new ATOM 0 HG2 GLN A 20 23.486 -5.264 -5.329 1.00 32.21 H new ATOM 0 HG3 GLN A 20 23.814 -4.282 -6.743 1.00 32.21 H new ATOM 0 HE21 GLN A 20 25.123 -6.415 -4.332 1.00 33.33 H new ATOM 0 HE22 GLN A 20 26.774 -6.477 -4.959 1.00 33.33 H new ATOM 319 N TRP A 21 22.578 -2.986 -2.097 1.00 4.41 N ATOM 320 CA TRP A 21 22.243 -3.558 -0.798 1.00 4.12 C ATOM 321 C TRP A 21 20.743 -3.802 -0.681 1.00 60.53 C ATOM 322 O TRP A 21 20.301 -4.939 -0.516 1.00 23.04 O ATOM 323 CB TRP A 21 22.710 -2.632 0.326 1.00 5.42 C ATOM 324 CG TRP A 21 22.765 -3.303 1.665 1.00 22.01 C ATOM 325 CD1 TRP A 21 23.593 -4.324 2.037 1.00 54.03 C ATOM 326 CD2 TRP A 21 21.958 -3.002 2.808 1.00 12.24 C ATOM 327 NE1 TRP A 21 23.348 -4.676 3.342 1.00 2.44 N ATOM 328 CE2 TRP A 21 22.350 -3.879 3.838 1.00 4.14 C ATOM 329 CE3 TRP A 21 20.943 -2.075 3.063 1.00 20.51 C ATOM 330 CZ2 TRP A 21 21.762 -3.856 5.100 1.00 10.30 C ATOM 331 CZ3 TRP A 21 20.360 -2.054 4.316 1.00 52.03 C ATOM 332 CH2 TRP A 21 20.771 -2.939 5.322 1.00 52.44 C ATOM 0 H TRP A 21 23.111 -2.118 -2.051 1.00 4.41 H new ATOM 0 HA TRP A 21 22.756 -4.515 -0.708 1.00 4.12 H new ATOM 0 HB2 TRP A 21 23.699 -2.245 0.081 1.00 5.42 H new ATOM 0 HB3 TRP A 21 22.038 -1.776 0.384 1.00 5.42 H new ATOM 0 HD1 TRP A 21 24.332 -4.786 1.399 1.00 54.03 H new ATOM 0 HE1 TRP A 21 23.831 -5.411 3.858 1.00 2.44 H new ATOM 0 HE3 TRP A 21 20.620 -1.388 2.295 1.00 20.51 H new ATOM 0 HZ2 TRP A 21 22.077 -4.538 5.876 1.00 10.30 H new ATOM 0 HZ3 TRP A 21 19.574 -1.343 4.524 1.00 52.03 H new ATOM 0 HH2 TRP A 21 20.296 -2.896 6.291 1.00 52.44 H new ATOM 343 N ALA A 22 19.964 -2.729 -0.769 1.00 62.21 N ATOM 344 CA ALA A 22 18.513 -2.829 -0.676 1.00 0.33 C ATOM 345 C ALA A 22 17.971 -3.876 -1.643 1.00 41.40 C ATOM 346 O ALA A 22 17.271 -4.804 -1.239 1.00 55.41 O ATOM 347 CB ALA A 22 17.873 -1.475 -0.947 1.00 33.33 C ATOM 0 H ALA A 22 20.314 -1.780 -0.905 1.00 62.21 H new ATOM 0 HA ALA A 22 18.259 -3.143 0.336 1.00 0.33 H new ATOM 0 HB1 ALA A 22 16.789 -1.564 -0.874 1.00 33.33 H new ATOM 0 HB2 ALA A 22 18.228 -0.751 -0.213 1.00 33.33 H new ATOM 0 HB3 ALA A 22 18.143 -1.139 -1.948 1.00 33.33 H new ATOM 353 N TRP A 23 18.299 -3.720 -2.920 1.00 41.44 N ATOM 354 CA TRP A 23 17.844 -4.652 -3.946 1.00 30.05 C ATOM 355 C TRP A 23 18.170 -6.090 -3.557 1.00 10.11 C ATOM 356 O TRP A 23 17.317 -6.973 -3.639 1.00 61.10 O ATOM 357 CB TRP A 23 18.488 -4.316 -5.292 1.00 33.03 C ATOM 358 CG TRP A 23 17.703 -3.322 -6.094 1.00 20.42 C ATOM 359 CD1 TRP A 23 18.012 -2.008 -6.299 1.00 13.01 C ATOM 360 CD2 TRP A 23 16.479 -3.563 -6.796 1.00 72.50 C ATOM 361 NE1 TRP A 23 17.053 -1.417 -7.086 1.00 71.33 N ATOM 362 CE2 TRP A 23 16.102 -2.350 -7.405 1.00 63.53 C ATOM 363 CE3 TRP A 23 15.665 -4.686 -6.971 1.00 62.02 C ATOM 364 CZ2 TRP A 23 14.948 -2.231 -8.174 1.00 72.13 C ATOM 365 CZ3 TRP A 23 14.520 -4.566 -7.734 1.00 54.24 C ATOM 366 CH2 TRP A 23 14.170 -3.346 -8.329 1.00 72.10 C ATOM 0 H TRP A 23 18.878 -2.957 -3.270 1.00 41.44 H new ATOM 0 HA TRP A 23 16.762 -4.555 -4.036 1.00 30.05 H new ATOM 0 HB2 TRP A 23 19.490 -3.923 -5.119 1.00 33.03 H new ATOM 0 HB3 TRP A 23 18.601 -5.232 -5.872 1.00 33.03 H new ATOM 0 HD1 TRP A 23 18.882 -1.507 -5.901 1.00 13.01 H new ATOM 0 HE1 TRP A 23 17.050 -0.442 -7.384 1.00 71.33 H new ATOM 0 HE3 TRP A 23 15.927 -5.631 -6.518 1.00 62.02 H new ATOM 0 HZ2 TRP A 23 14.676 -1.292 -8.632 1.00 72.13 H new ATOM 0 HZ3 TRP A 23 13.883 -5.427 -7.875 1.00 54.24 H new ATOM 0 HH2 TRP A 23 13.269 -3.285 -8.921 1.00 72.10 H new ATOM 377 N ALA A 24 19.409 -6.318 -3.133 1.00 50.54 N ATOM 378 CA ALA A 24 19.846 -7.648 -2.730 1.00 70.30 C ATOM 379 C ALA A 24 18.979 -8.191 -1.599 1.00 61.52 C ATOM 380 O ALA A 24 18.135 -9.060 -1.814 1.00 72.02 O ATOM 381 CB ALA A 24 21.308 -7.619 -2.309 1.00 51.35 C ATOM 0 H ALA A 24 20.128 -5.598 -3.060 1.00 50.54 H new ATOM 0 HA ALA A 24 19.739 -8.313 -3.587 1.00 70.30 H new ATOM 0 HB1 ALA A 24 21.621 -8.620 -2.010 1.00 51.35 H new ATOM 0 HB2 ALA A 24 21.921 -7.282 -3.145 1.00 51.35 H new ATOM 0 HB3 ALA A 24 21.431 -6.935 -1.469 1.00 51.35 H new ATOM 387 N ASN A 25 19.194 -7.674 -0.394 1.00 24.31 N ATOM 388 CA ASN A 25 18.433 -8.109 0.771 1.00 10.05 C ATOM 389 C ASN A 25 16.934 -7.977 0.522 1.00 74.02 C ATOM 390 O ASN A 25 16.408 -6.870 0.401 1.00 71.34 O ATOM 391 CB ASN A 25 18.831 -7.290 2.001 1.00 14.20 C ATOM 392 CG ASN A 25 20.111 -7.791 2.640 1.00 4.11 C ATOM 393 OD1 ASN A 25 20.103 -8.768 3.390 1.00 44.44 O ATOM 394 ND2 ASN A 25 21.220 -7.122 2.346 1.00 62.23 N ATOM 0 H ASN A 25 19.889 -6.953 -0.199 1.00 24.31 H new ATOM 0 HA ASN A 25 18.662 -9.159 0.952 1.00 10.05 H new ATOM 0 HB2 ASN A 25 18.956 -6.246 1.714 1.00 14.20 H new ATOM 0 HB3 ASN A 25 18.025 -7.325 2.734 1.00 14.20 H new ATOM 0 HD21 ASN A 25 22.112 -7.412 2.747 1.00 62.23 H new ATOM 0 HD22 ASN A 25 21.180 -6.318 1.720 1.00 62.23 H new ATOM 401 N LYS A 26 16.250 -9.114 0.447 1.00 53.34 N ATOM 402 CA LYS A 26 14.810 -9.127 0.213 1.00 25.25 C ATOM 403 C LYS A 26 14.068 -9.677 1.427 1.00 12.22 C ATOM 404 O LYS A 26 13.111 -10.437 1.289 1.00 33.34 O ATOM 405 CB LYS A 26 14.481 -9.967 -1.023 1.00 21.24 C ATOM 406 CG LYS A 26 14.928 -11.415 -0.911 1.00 51.41 C ATOM 407 CD LYS A 26 14.931 -12.103 -2.266 1.00 35.34 C ATOM 408 CE LYS A 26 16.208 -11.811 -3.037 1.00 25.31 C ATOM 409 NZ LYS A 26 17.276 -12.805 -2.738 1.00 22.31 N ATOM 0 H LYS A 26 16.669 -10.039 0.545 1.00 53.34 H new ATOM 0 HA LYS A 26 14.485 -8.101 0.044 1.00 25.25 H new ATOM 0 HB2 LYS A 26 13.405 -9.940 -1.194 1.00 21.24 H new ATOM 0 HB3 LYS A 26 14.954 -9.516 -1.895 1.00 21.24 H new ATOM 0 HG2 LYS A 26 15.928 -11.456 -0.479 1.00 51.41 H new ATOM 0 HG3 LYS A 26 14.265 -11.950 -0.231 1.00 51.41 H new ATOM 0 HD2 LYS A 26 14.826 -13.179 -2.129 1.00 35.34 H new ATOM 0 HD3 LYS A 26 14.070 -11.770 -2.846 1.00 35.34 H new ATOM 0 HE2 LYS A 26 15.996 -11.816 -4.106 1.00 25.31 H new ATOM 0 HE3 LYS A 26 16.562 -10.811 -2.787 1.00 25.31 H new ATOM 0 HZ1 LYS A 26 18.130 -12.571 -3.283 1.00 22.31 H new ATOM 0 HZ2 LYS A 26 17.497 -12.782 -1.722 1.00 22.31 H new ATOM 0 HZ3 LYS A 26 16.948 -13.756 -3.000 1.00 22.31 H new ATOM 423 N GLY A 27 14.515 -9.285 2.617 1.00 61.24 N ATOM 424 CA GLY A 27 13.880 -9.748 3.837 1.00 42.51 C ATOM 425 C GLY A 27 14.205 -8.869 5.028 1.00 1.44 C ATOM 426 O GLY A 27 13.318 -8.500 5.799 1.00 71.45 O ATOM 0 H GLY A 27 15.305 -8.655 2.757 1.00 61.24 H new ATOM 0 HA2 GLY A 27 12.800 -9.775 3.693 1.00 42.51 H new ATOM 0 HA3 GLY A 27 14.200 -10.769 4.045 1.00 42.51 H new ATOM 430 N LYS A 28 15.481 -8.532 5.183 1.00 62.12 N ATOM 431 CA LYS A 28 15.923 -7.691 6.289 1.00 33.32 C ATOM 432 C LYS A 28 15.203 -6.346 6.271 1.00 21.44 C ATOM 433 O LYS A 28 14.333 -6.087 7.103 1.00 53.12 O ATOM 434 CB LYS A 28 17.436 -7.473 6.219 1.00 72.03 C ATOM 435 CG LYS A 28 18.245 -8.734 6.471 1.00 55.32 C ATOM 436 CD LYS A 28 18.748 -8.796 7.903 1.00 63.00 C ATOM 437 CE LYS A 28 17.610 -9.028 8.885 1.00 52.24 C ATOM 438 NZ LYS A 28 17.023 -7.747 9.366 1.00 51.42 N ATOM 0 H LYS A 28 16.228 -8.829 4.555 1.00 62.12 H new ATOM 0 HA LYS A 28 15.679 -8.202 7.221 1.00 33.32 H new ATOM 0 HB2 LYS A 28 17.692 -7.077 5.236 1.00 72.03 H new ATOM 0 HB3 LYS A 28 17.720 -6.717 6.951 1.00 72.03 H new ATOM 0 HG2 LYS A 28 17.630 -9.610 6.262 1.00 55.32 H new ATOM 0 HG3 LYS A 28 19.092 -8.768 5.785 1.00 55.32 H new ATOM 0 HD2 LYS A 28 19.481 -9.597 7.998 1.00 63.00 H new ATOM 0 HD3 LYS A 28 19.259 -7.866 8.151 1.00 63.00 H new ATOM 0 HE2 LYS A 28 16.834 -9.626 8.407 1.00 52.24 H new ATOM 0 HE3 LYS A 28 17.976 -9.602 9.736 1.00 52.24 H new ATOM 0 HZ1 LYS A 28 17.107 -7.694 10.401 1.00 51.42 H new ATOM 0 HZ2 LYS A 28 17.532 -6.949 8.936 1.00 51.42 H new ATOM 0 HZ3 LYS A 28 16.019 -7.702 9.097 1.00 51.42 H new ATOM 452 N ILE A 29 15.571 -5.496 5.319 1.00 70.32 N ATOM 453 CA ILE A 29 14.958 -4.180 5.192 1.00 2.12 C ATOM 454 C ILE A 29 13.439 -4.286 5.105 1.00 25.55 C ATOM 455 O ILE A 29 12.716 -3.415 5.590 1.00 62.01 O ATOM 456 CB ILE A 29 15.481 -3.433 3.951 1.00 52.30 C ATOM 457 CG1 ILE A 29 17.007 -3.334 3.993 1.00 1.34 C ATOM 458 CG2 ILE A 29 14.857 -2.048 3.865 1.00 50.31 C ATOM 459 CD1 ILE A 29 17.600 -2.621 2.798 1.00 32.01 C ATOM 0 H ILE A 29 16.291 -5.695 4.624 1.00 70.32 H new ATOM 0 HA ILE A 29 15.230 -3.618 6.086 1.00 2.12 H new ATOM 0 HB ILE A 29 15.197 -3.994 3.061 1.00 52.30 H new ATOM 0 HG12 ILE A 29 17.304 -2.811 4.902 1.00 1.34 H new ATOM 0 HG13 ILE A 29 17.427 -4.338 4.052 1.00 1.34 H new ATOM 0 HG21 ILE A 29 15.236 -1.532 2.983 1.00 50.31 H new ATOM 0 HG22 ILE A 29 13.773 -2.141 3.793 1.00 50.31 H new ATOM 0 HG23 ILE A 29 15.114 -1.477 4.757 1.00 50.31 H new ATOM 0 HD11 ILE A 29 18.685 -2.588 2.895 1.00 32.01 H new ATOM 0 HD12 ILE A 29 17.334 -3.156 1.886 1.00 32.01 H new ATOM 0 HD13 ILE A 29 17.209 -1.605 2.750 1.00 32.01 H new ATOM 471 N LEU A 30 12.962 -5.361 4.487 1.00 52.30 N ATOM 472 CA LEU A 30 11.528 -5.584 4.338 1.00 12.51 C ATOM 473 C LEU A 30 10.824 -5.520 5.690 1.00 54.24 C ATOM 474 O LEU A 30 9.658 -5.133 5.776 1.00 71.32 O ATOM 475 CB LEU A 30 11.268 -6.939 3.678 1.00 1.12 C ATOM 476 CG LEU A 30 11.312 -6.961 2.150 1.00 50.21 C ATOM 477 CD1 LEU A 30 10.269 -6.017 1.572 1.00 11.34 C ATOM 478 CD2 LEU A 30 12.702 -6.593 1.651 1.00 53.21 C ATOM 0 H LEU A 30 13.547 -6.092 4.081 1.00 52.30 H new ATOM 0 HA LEU A 30 11.127 -4.795 3.702 1.00 12.51 H new ATOM 0 HB2 LEU A 30 12.004 -7.650 4.053 1.00 1.12 H new ATOM 0 HB3 LEU A 30 10.289 -7.295 3.998 1.00 1.12 H new ATOM 0 HG LEU A 30 11.083 -7.972 1.814 1.00 50.21 H new ATOM 0 HD11 LEU A 30 10.315 -6.046 0.483 1.00 11.34 H new ATOM 0 HD12 LEU A 30 9.277 -6.325 1.901 1.00 11.34 H new ATOM 0 HD13 LEU A 30 10.466 -5.002 1.916 1.00 11.34 H new ATOM 0 HD21 LEU A 30 12.715 -6.614 0.561 1.00 53.21 H new ATOM 0 HD22 LEU A 30 12.960 -5.592 1.998 1.00 53.21 H new ATOM 0 HD23 LEU A 30 13.428 -7.309 2.036 1.00 53.21 H new ATOM 490 N ASP A 31 11.540 -5.899 6.742 1.00 34.42 N ATOM 491 CA ASP A 31 10.985 -5.882 8.091 1.00 73.43 C ATOM 492 C ASP A 31 10.789 -4.451 8.580 1.00 50.32 C ATOM 493 O ASP A 31 9.762 -4.123 9.175 1.00 44.44 O ATOM 494 CB ASP A 31 11.900 -6.642 9.052 1.00 65.13 C ATOM 495 CG ASP A 31 11.846 -8.142 8.839 1.00 21.10 C ATOM 496 OD1 ASP A 31 11.437 -8.571 7.740 1.00 62.53 O ATOM 497 OD2 ASP A 31 12.213 -8.887 9.772 1.00 44.24 O ATOM 0 H ASP A 31 12.506 -6.222 6.687 1.00 34.42 H new ATOM 0 HA ASP A 31 10.013 -6.374 8.063 1.00 73.43 H new ATOM 0 HB2 ASP A 31 12.926 -6.296 8.922 1.00 65.13 H new ATOM 0 HB3 ASP A 31 11.614 -6.413 10.079 1.00 65.13 H new ATOM 502 N TRP A 32 11.780 -3.604 8.326 1.00 0.11 N ATOM 503 CA TRP A 32 11.717 -2.207 8.742 1.00 60.32 C ATOM 504 C TRP A 32 10.428 -1.553 8.257 1.00 2.31 C ATOM 505 O TRP A 32 9.893 -0.655 8.909 1.00 35.42 O ATOM 506 CB TRP A 32 12.926 -1.439 8.206 1.00 64.30 C ATOM 507 CG TRP A 32 14.195 -1.739 8.945 1.00 65.21 C ATOM 508 CD1 TRP A 32 14.311 -2.145 10.244 1.00 62.33 C ATOM 509 CD2 TRP A 32 15.528 -1.655 8.429 1.00 42.35 C ATOM 510 NE1 TRP A 32 15.636 -2.318 10.566 1.00 72.22 N ATOM 511 CE2 TRP A 32 16.402 -2.025 9.469 1.00 4.43 C ATOM 512 CE3 TRP A 32 16.068 -1.305 7.188 1.00 0.31 C ATOM 513 CZ2 TRP A 32 17.785 -2.052 9.305 1.00 32.24 C ATOM 514 CZ3 TRP A 32 17.440 -1.332 7.027 1.00 22.31 C ATOM 515 CH2 TRP A 32 18.286 -1.705 8.080 1.00 10.44 C ATOM 0 H TRP A 32 12.636 -3.860 7.834 1.00 0.11 H new ATOM 0 HA TRP A 32 11.730 -2.177 9.832 1.00 60.32 H new ATOM 0 HB2 TRP A 32 13.062 -1.680 7.152 1.00 64.30 H new ATOM 0 HB3 TRP A 32 12.724 -0.370 8.265 1.00 64.30 H new ATOM 0 HD1 TRP A 32 13.483 -2.306 10.919 1.00 62.33 H new ATOM 0 HE1 TRP A 32 15.991 -2.616 11.474 1.00 72.22 H new ATOM 0 HE3 TRP A 32 15.424 -1.019 6.370 1.00 0.31 H new ATOM 0 HZ2 TRP A 32 18.439 -2.337 10.116 1.00 32.24 H new ATOM 0 HZ3 TRP A 32 17.868 -1.061 6.073 1.00 22.31 H new ATOM 0 HH2 TRP A 32 19.354 -1.719 7.922 1.00 10.44 H new ATOM 526 N LEU A 33 9.934 -2.006 7.110 1.00 23.34 N ATOM 527 CA LEU A 33 8.707 -1.464 6.538 1.00 34.34 C ATOM 528 C LEU A 33 7.553 -1.565 7.531 1.00 52.40 C ATOM 529 O LEU A 33 6.603 -0.784 7.475 1.00 25.20 O ATOM 530 CB LEU A 33 8.351 -2.206 5.249 1.00 52.24 C ATOM 531 CG LEU A 33 9.312 -2.010 4.075 1.00 35.42 C ATOM 532 CD1 LEU A 33 8.836 -2.791 2.860 1.00 32.30 C ATOM 533 CD2 LEU A 33 9.451 -0.532 3.741 1.00 60.44 C ATOM 0 H LEU A 33 10.365 -2.748 6.558 1.00 23.34 H new ATOM 0 HA LEU A 33 8.875 -0.412 6.310 1.00 34.34 H new ATOM 0 HB2 LEU A 33 8.293 -3.272 5.471 1.00 52.24 H new ATOM 0 HB3 LEU A 33 7.356 -1.891 4.935 1.00 52.24 H new ATOM 0 HG LEU A 33 10.292 -2.390 4.364 1.00 35.42 H new ATOM 0 HD11 LEU A 33 9.532 -2.640 2.035 1.00 32.30 H new ATOM 0 HD12 LEU A 33 8.789 -3.852 3.105 1.00 32.30 H new ATOM 0 HD13 LEU A 33 7.846 -2.442 2.568 1.00 32.30 H new ATOM 0 HD21 LEU A 33 10.138 -0.411 2.904 1.00 60.44 H new ATOM 0 HD22 LEU A 33 8.476 -0.127 3.471 1.00 60.44 H new ATOM 0 HD23 LEU A 33 9.839 0.002 4.608 1.00 60.44 H new ATOM 545 N ASN A 34 7.643 -2.530 8.440 1.00 4.22 N ATOM 546 CA ASN A 34 6.608 -2.731 9.447 1.00 74.11 C ATOM 547 C ASN A 34 6.986 -2.053 10.760 1.00 0.31 C ATOM 548 O ASN A 34 6.543 -2.463 11.832 1.00 10.34 O ATOM 549 CB ASN A 34 6.377 -4.226 9.680 1.00 43.31 C ATOM 550 CG ASN A 34 5.864 -4.932 8.440 1.00 52.31 C ATOM 551 OD1 ASN A 34 4.669 -5.198 8.314 1.00 75.02 O ATOM 552 ND2 ASN A 34 6.768 -5.239 7.517 1.00 50.30 N ATOM 0 H ASN A 34 8.422 -3.185 8.500 1.00 4.22 H new ATOM 0 HA ASN A 34 5.686 -2.280 9.079 1.00 74.11 H new ATOM 0 HB2 ASN A 34 7.311 -4.690 9.999 1.00 43.31 H new ATOM 0 HB3 ASN A 34 5.662 -4.358 10.492 1.00 43.31 H new ATOM 0 HD21 ASN A 34 6.482 -5.715 6.661 1.00 50.30 H new ATOM 0 HD22 ASN A 34 7.748 -4.999 7.664 1.00 50.30 H new ATOM 559 N ALA A 35 7.808 -1.012 10.667 1.00 73.31 N ATOM 560 CA ALA A 35 8.244 -0.275 11.846 1.00 34.24 C ATOM 561 C ALA A 35 7.328 0.913 12.120 1.00 3.25 C ATOM 562 O ALA A 35 6.718 1.007 13.185 1.00 63.13 O ATOM 563 CB ALA A 35 9.681 0.192 11.675 1.00 25.02 C ATOM 0 H ALA A 35 8.185 -0.661 9.787 1.00 73.31 H new ATOM 0 HA ALA A 35 8.192 -0.946 12.704 1.00 34.24 H new ATOM 0 HB1 ALA A 35 9.993 0.741 12.563 1.00 25.02 H new ATOM 0 HB2 ALA A 35 10.330 -0.672 11.536 1.00 25.02 H new ATOM 0 HB3 ALA A 35 9.751 0.842 10.803 1.00 25.02 H new ATOM 569 N GLY A 36 7.238 1.820 11.153 1.00 52.44 N ATOM 570 CA GLY A 36 6.395 2.991 11.310 1.00 42.51 C ATOM 571 C GLY A 36 5.965 3.579 9.981 1.00 73.25 C ATOM 572 O GLY A 36 5.579 4.745 9.906 1.00 4.35 O ATOM 0 H GLY A 36 7.734 1.765 10.263 1.00 52.44 H new ATOM 0 HA2 GLY A 36 5.511 2.723 11.888 1.00 42.51 H new ATOM 0 HA3 GLY A 36 6.932 3.748 11.882 1.00 42.51 H new ATOM 576 N GLN A 37 6.032 2.770 8.928 1.00 33.43 N ATOM 577 CA GLN A 37 5.648 3.218 7.595 1.00 74.40 C ATOM 578 C GLN A 37 6.363 4.514 7.229 1.00 22.21 C ATOM 579 O GLN A 37 5.775 5.410 6.625 1.00 34.02 O ATOM 580 CB GLN A 37 4.133 3.418 7.518 1.00 41.02 C ATOM 581 CG GLN A 37 3.345 2.119 7.553 1.00 71.42 C ATOM 582 CD GLN A 37 3.325 1.412 6.212 1.00 64.41 C ATOM 583 OE1 GLN A 37 3.244 2.050 5.162 1.00 72.52 O ATOM 584 NE2 GLN A 37 3.401 0.086 6.240 1.00 13.11 N ATOM 0 H GLN A 37 6.349 1.801 8.973 1.00 33.43 H new ATOM 0 HA GLN A 37 5.943 2.448 6.882 1.00 74.40 H new ATOM 0 HB2 GLN A 37 3.816 4.048 8.349 1.00 41.02 H new ATOM 0 HB3 GLN A 37 3.892 3.955 6.600 1.00 41.02 H new ATOM 0 HG2 GLN A 37 3.778 1.456 8.302 1.00 71.42 H new ATOM 0 HG3 GLN A 37 2.322 2.328 7.865 1.00 71.42 H new ATOM 0 HE21 GLN A 37 3.467 -0.402 7.133 1.00 13.11 H new ATOM 0 HE22 GLN A 37 3.394 -0.444 5.368 1.00 13.11 H new ATOM 593 N ALA A 38 7.636 4.606 7.599 1.00 22.05 N ATOM 594 CA ALA A 38 8.432 5.792 7.309 1.00 65.22 C ATOM 595 C ALA A 38 9.682 5.432 6.512 1.00 2.23 C ATOM 596 O ALA A 38 10.108 4.277 6.497 1.00 43.05 O ATOM 597 CB ALA A 38 8.813 6.501 8.600 1.00 50.53 C ATOM 0 H ALA A 38 8.138 3.873 8.100 1.00 22.05 H new ATOM 0 HA ALA A 38 7.827 6.466 6.702 1.00 65.22 H new ATOM 0 HB1 ALA A 38 9.407 7.385 8.368 1.00 50.53 H new ATOM 0 HB2 ALA A 38 7.909 6.800 9.131 1.00 50.53 H new ATOM 0 HB3 ALA A 38 9.396 5.826 9.227 1.00 50.53 H new ATOM 603 N ILE A 39 10.264 6.428 5.852 1.00 23.34 N ATOM 604 CA ILE A 39 11.465 6.215 5.054 1.00 4.34 C ATOM 605 C ILE A 39 12.708 6.708 5.789 1.00 54.44 C ATOM 606 O ILE A 39 13.716 6.007 5.864 1.00 63.43 O ATOM 607 CB ILE A 39 11.370 6.929 3.693 1.00 43.10 C ATOM 608 CG1 ILE A 39 10.145 6.438 2.920 1.00 52.14 C ATOM 609 CG2 ILE A 39 12.639 6.701 2.886 1.00 44.04 C ATOM 610 CD1 ILE A 39 8.892 7.239 3.200 1.00 24.54 C ATOM 0 H ILE A 39 9.923 7.389 5.854 1.00 23.34 H new ATOM 0 HA ILE A 39 11.547 5.141 4.887 1.00 4.34 H new ATOM 0 HB ILE A 39 11.261 7.999 3.867 1.00 43.10 H new ATOM 0 HG12 ILE A 39 10.360 6.477 1.852 1.00 52.14 H new ATOM 0 HG13 ILE A 39 9.962 5.393 3.171 1.00 52.14 H new ATOM 0 HG21 ILE A 39 12.557 7.212 1.927 1.00 44.04 H new ATOM 0 HG22 ILE A 39 13.495 7.095 3.435 1.00 44.04 H new ATOM 0 HG23 ILE A 39 12.776 5.633 2.718 1.00 44.04 H new ATOM 0 HD11 ILE A 39 8.064 6.835 2.618 1.00 24.54 H new ATOM 0 HD12 ILE A 39 8.652 7.180 4.262 1.00 24.54 H new ATOM 0 HD13 ILE A 39 9.056 8.280 2.922 1.00 24.54 H new ATOM 622 N ASP A 40 12.626 7.919 6.330 1.00 23.43 N ATOM 623 CA ASP A 40 13.743 8.505 7.062 1.00 1.30 C ATOM 624 C ASP A 40 14.181 7.596 8.206 1.00 71.01 C ATOM 625 O ASP A 40 15.334 7.633 8.634 1.00 3.14 O ATOM 626 CB ASP A 40 13.357 9.881 7.607 1.00 52.20 C ATOM 627 CG ASP A 40 13.481 10.973 6.563 1.00 50.33 C ATOM 628 OD1 ASP A 40 12.516 11.174 5.796 1.00 72.22 O ATOM 629 OD2 ASP A 40 14.543 11.628 6.513 1.00 30.00 O ATOM 0 H ASP A 40 11.799 8.513 6.275 1.00 23.43 H new ATOM 0 HA ASP A 40 14.579 8.617 6.371 1.00 1.30 H new ATOM 0 HB2 ASP A 40 12.331 9.848 7.974 1.00 52.20 H new ATOM 0 HB3 ASP A 40 13.993 10.123 8.459 1.00 52.20 H new ATOM 634 N TRP A 41 13.253 6.782 8.696 1.00 50.11 N ATOM 635 CA TRP A 41 13.543 5.864 9.791 1.00 22.23 C ATOM 636 C TRP A 41 14.365 4.676 9.303 1.00 42.32 C ATOM 637 O TRP A 41 15.080 4.042 10.079 1.00 35.22 O ATOM 638 CB TRP A 41 12.243 5.372 10.430 1.00 42.02 C ATOM 639 CG TRP A 41 12.459 4.590 11.690 1.00 2.11 C ATOM 640 CD1 TRP A 41 12.539 5.087 12.959 1.00 5.35 C ATOM 641 CD2 TRP A 41 12.624 3.172 11.801 1.00 2.22 C ATOM 642 NE1 TRP A 41 12.745 4.064 13.853 1.00 34.11 N ATOM 643 CE2 TRP A 41 12.799 2.879 13.168 1.00 44.12 C ATOM 644 CE3 TRP A 41 12.639 2.122 10.880 1.00 60.31 C ATOM 645 CZ2 TRP A 41 12.988 1.580 13.632 1.00 50.01 C ATOM 646 CZ3 TRP A 41 12.827 0.833 11.342 1.00 34.01 C ATOM 647 CH2 TRP A 41 12.998 0.571 12.708 1.00 62.22 C ATOM 0 H TRP A 41 12.294 6.739 8.352 1.00 50.11 H new ATOM 0 HA TRP A 41 14.126 6.403 10.538 1.00 22.23 H new ATOM 0 HB2 TRP A 41 11.606 6.230 10.648 1.00 42.02 H new ATOM 0 HB3 TRP A 41 11.706 4.751 9.713 1.00 42.02 H new ATOM 0 HD1 TRP A 41 12.453 6.131 13.222 1.00 5.35 H new ATOM 0 HE1 TRP A 41 12.842 4.170 14.863 1.00 34.11 H new ATOM 0 HE3 TRP A 41 12.506 2.314 9.826 1.00 60.31 H new ATOM 0 HZ2 TRP A 41 13.122 1.376 14.684 1.00 50.01 H new ATOM 0 HZ3 TRP A 41 12.842 0.014 10.638 1.00 34.01 H new ATOM 0 HH2 TRP A 41 13.140 -0.447 13.038 1.00 62.22 H new ATOM 658 N VAL A 42 14.260 4.380 8.011 1.00 0.32 N ATOM 659 CA VAL A 42 14.995 3.269 7.419 1.00 2.11 C ATOM 660 C VAL A 42 16.331 3.735 6.851 1.00 22.42 C ATOM 661 O VAL A 42 17.336 3.030 6.943 1.00 65.13 O ATOM 662 CB VAL A 42 14.182 2.591 6.300 1.00 4.11 C ATOM 663 CG1 VAL A 42 14.975 1.450 5.680 1.00 1.43 C ATOM 664 CG2 VAL A 42 12.849 2.094 6.837 1.00 14.41 C ATOM 0 H VAL A 42 13.673 4.895 7.355 1.00 0.32 H new ATOM 0 HA VAL A 42 15.174 2.547 8.216 1.00 2.11 H new ATOM 0 HB VAL A 42 13.982 3.328 5.522 1.00 4.11 H new ATOM 0 HG11 VAL A 42 14.385 0.983 4.892 1.00 1.43 H new ATOM 0 HG12 VAL A 42 15.902 1.838 5.258 1.00 1.43 H new ATOM 0 HG13 VAL A 42 15.207 0.710 6.446 1.00 1.43 H new ATOM 0 HG21 VAL A 42 12.288 1.618 6.033 1.00 14.41 H new ATOM 0 HG22 VAL A 42 13.024 1.372 7.634 1.00 14.41 H new ATOM 0 HG23 VAL A 42 12.278 2.936 7.229 1.00 14.41 H new ATOM 674 N VAL A 43 16.335 4.927 6.264 1.00 2.21 N ATOM 675 CA VAL A 43 17.548 5.489 5.682 1.00 24.21 C ATOM 676 C VAL A 43 18.641 5.646 6.734 1.00 53.10 C ATOM 677 O VAL A 43 19.809 5.355 6.479 1.00 61.13 O ATOM 678 CB VAL A 43 17.277 6.858 5.031 1.00 12.01 C ATOM 679 CG1 VAL A 43 18.496 7.332 4.255 1.00 62.42 C ATOM 680 CG2 VAL A 43 16.055 6.785 4.128 1.00 11.10 C ATOM 0 H VAL A 43 15.511 5.523 6.179 1.00 2.21 H new ATOM 0 HA VAL A 43 17.883 4.791 4.915 1.00 24.21 H new ATOM 0 HB VAL A 43 17.075 7.582 5.820 1.00 12.01 H new ATOM 0 HG11 VAL A 43 18.285 8.301 3.802 1.00 62.42 H new ATOM 0 HG12 VAL A 43 19.345 7.425 4.932 1.00 62.42 H new ATOM 0 HG13 VAL A 43 18.733 6.610 3.473 1.00 62.42 H new ATOM 0 HG21 VAL A 43 15.878 7.761 3.676 1.00 11.10 H new ATOM 0 HG22 VAL A 43 16.226 6.047 3.344 1.00 11.10 H new ATOM 0 HG23 VAL A 43 15.185 6.494 4.716 1.00 11.10 H new ATOM 690 N SER A 44 18.252 6.108 7.918 1.00 1.31 N ATOM 691 CA SER A 44 19.199 6.308 9.009 1.00 70.20 C ATOM 692 C SER A 44 19.892 4.998 9.373 1.00 43.33 C ATOM 693 O SER A 44 20.972 4.997 9.965 1.00 33.01 O ATOM 694 CB SER A 44 18.484 6.877 10.236 1.00 53.24 C ATOM 695 OG SER A 44 17.743 5.872 10.906 1.00 2.24 O ATOM 0 H SER A 44 17.288 6.351 8.146 1.00 1.31 H new ATOM 0 HA SER A 44 19.955 7.019 8.675 1.00 70.20 H new ATOM 0 HB2 SER A 44 19.215 7.310 10.919 1.00 53.24 H new ATOM 0 HB3 SER A 44 17.817 7.683 9.931 1.00 53.24 H new ATOM 0 HG SER A 44 17.297 6.261 11.687 1.00 2.24 H new ATOM 701 N LYS A 45 19.264 3.884 9.014 1.00 50.02 N ATOM 702 CA LYS A 45 19.819 2.566 9.300 1.00 54.21 C ATOM 703 C LYS A 45 20.609 2.038 8.107 1.00 3.02 C ATOM 704 O LYS A 45 20.793 0.830 7.959 1.00 60.51 O ATOM 705 CB LYS A 45 18.699 1.586 9.658 1.00 63.12 C ATOM 706 CG LYS A 45 18.323 1.604 11.129 1.00 34.51 C ATOM 707 CD LYS A 45 17.324 2.707 11.436 1.00 72.21 C ATOM 708 CE LYS A 45 17.387 3.126 12.897 1.00 61.53 C ATOM 709 NZ LYS A 45 17.043 2.002 13.811 1.00 34.12 N ATOM 0 H LYS A 45 18.370 3.867 8.524 1.00 50.02 H new ATOM 0 HA LYS A 45 20.496 2.660 10.149 1.00 54.21 H new ATOM 0 HB2 LYS A 45 17.817 1.822 9.063 1.00 63.12 H new ATOM 0 HB3 LYS A 45 19.008 0.578 9.383 1.00 63.12 H new ATOM 0 HG2 LYS A 45 17.899 0.640 11.409 1.00 34.51 H new ATOM 0 HG3 LYS A 45 19.219 1.745 11.733 1.00 34.51 H new ATOM 0 HD2 LYS A 45 17.526 3.569 10.800 1.00 72.21 H new ATOM 0 HD3 LYS A 45 16.317 2.364 11.198 1.00 72.21 H new ATOM 0 HE2 LYS A 45 18.389 3.489 13.128 1.00 61.53 H new ATOM 0 HE3 LYS A 45 16.701 3.956 13.067 1.00 61.53 H new ATOM 0 HZ1 LYS A 45 16.981 2.355 14.787 1.00 34.12 H new ATOM 0 HZ2 LYS A 45 16.128 1.595 13.531 1.00 34.12 H new ATOM 0 HZ3 LYS A 45 17.780 1.270 13.754 1.00 34.12 H new ATOM 723 N ILE A 46 21.076 2.951 7.261 1.00 35.54 N ATOM 724 CA ILE A 46 21.849 2.576 6.084 1.00 75.31 C ATOM 725 C ILE A 46 23.265 3.137 6.154 1.00 33.25 C ATOM 726 O ILE A 46 24.190 2.595 5.550 1.00 42.24 O ATOM 727 CB ILE A 46 21.177 3.069 4.789 1.00 52.21 C ATOM 728 CG1 ILE A 46 19.691 2.703 4.788 1.00 41.32 C ATOM 729 CG2 ILE A 46 21.874 2.479 3.572 1.00 21.03 C ATOM 730 CD1 ILE A 46 19.434 1.219 4.927 1.00 2.22 C ATOM 0 H ILE A 46 20.932 3.955 7.369 1.00 35.54 H new ATOM 0 HA ILE A 46 21.893 1.487 6.069 1.00 75.31 H new ATOM 0 HB ILE A 46 21.265 4.154 4.743 1.00 52.21 H new ATOM 0 HG12 ILE A 46 19.195 3.227 5.605 1.00 41.32 H new ATOM 0 HG13 ILE A 46 19.239 3.057 3.861 1.00 41.32 H new ATOM 0 HG21 ILE A 46 21.387 2.837 2.665 1.00 21.03 H new ATOM 0 HG22 ILE A 46 22.920 2.785 3.568 1.00 21.03 H new ATOM 0 HG23 ILE A 46 21.815 1.391 3.610 1.00 21.03 H new ATOM 0 HD11 ILE A 46 18.360 1.033 4.919 1.00 2.22 H new ATOM 0 HD12 ILE A 46 19.900 0.690 4.096 1.00 2.22 H new ATOM 0 HD13 ILE A 46 19.856 0.863 5.867 1.00 2.22 H new ATOM 742 N LYS A 47 23.427 4.225 6.899 1.00 43.43 N ATOM 743 CA LYS A 47 24.731 4.860 7.052 1.00 21.05 C ATOM 744 C LYS A 47 25.579 4.118 8.081 1.00 43.34 C ATOM 745 O LYS A 47 26.787 4.336 8.174 1.00 31.23 O ATOM 746 CB LYS A 47 24.563 6.322 7.473 1.00 23.21 C ATOM 747 CG LYS A 47 24.059 7.221 6.358 1.00 0.51 C ATOM 748 CD LYS A 47 22.542 7.304 6.351 1.00 32.21 C ATOM 749 CE LYS A 47 22.034 8.325 7.358 1.00 63.13 C ATOM 750 NZ LYS A 47 20.706 8.874 6.969 1.00 32.01 N ATOM 0 H LYS A 47 22.672 4.686 7.406 1.00 43.43 H new ATOM 0 HA LYS A 47 25.242 4.822 6.090 1.00 21.05 H new ATOM 0 HB2 LYS A 47 23.868 6.373 8.311 1.00 23.21 H new ATOM 0 HB3 LYS A 47 25.521 6.701 7.829 1.00 23.21 H new ATOM 0 HG2 LYS A 47 24.478 8.220 6.477 1.00 0.51 H new ATOM 0 HG3 LYS A 47 24.408 6.841 5.398 1.00 0.51 H new ATOM 0 HD2 LYS A 47 22.196 7.573 5.353 1.00 32.21 H new ATOM 0 HD3 LYS A 47 22.122 6.325 6.581 1.00 32.21 H new ATOM 0 HE2 LYS A 47 21.961 7.860 8.341 1.00 63.13 H new ATOM 0 HE3 LYS A 47 22.753 9.140 7.443 1.00 63.13 H new ATOM 0 HZ1 LYS A 47 20.379 9.541 7.697 1.00 32.01 H new ATOM 0 HZ2 LYS A 47 20.788 9.369 6.058 1.00 32.01 H new ATOM 0 HZ3 LYS A 47 20.022 8.096 6.879 1.00 32.01 H new ATOM 764 N GLN A 48 24.939 3.242 8.848 1.00 61.12 N ATOM 765 CA GLN A 48 25.636 2.468 9.868 1.00 4.01 C ATOM 766 C GLN A 48 25.965 1.068 9.360 1.00 51.12 C ATOM 767 O GLN A 48 26.900 0.427 9.840 1.00 30.31 O ATOM 768 CB GLN A 48 24.788 2.376 11.137 1.00 13.45 C ATOM 769 CG GLN A 48 23.575 1.471 10.995 1.00 61.25 C ATOM 770 CD GLN A 48 22.558 1.679 12.099 1.00 31.22 C ATOM 771 OE1 GLN A 48 22.098 2.797 12.333 1.00 71.21 O ATOM 772 NE2 GLN A 48 22.201 0.600 12.786 1.00 34.10 N ATOM 0 H GLN A 48 23.939 3.050 8.783 1.00 61.12 H new ATOM 0 HA GLN A 48 26.570 2.979 10.100 1.00 4.01 H new ATOM 0 HB2 GLN A 48 25.410 2.010 11.954 1.00 13.45 H new ATOM 0 HB3 GLN A 48 24.454 3.376 11.414 1.00 13.45 H new ATOM 0 HG2 GLN A 48 23.101 1.654 10.031 1.00 61.25 H new ATOM 0 HG3 GLN A 48 23.901 0.431 10.998 1.00 61.25 H new ATOM 0 HE21 GLN A 48 22.608 -0.307 12.558 1.00 34.10 H new ATOM 0 HE22 GLN A 48 21.520 0.679 13.541 1.00 34.10 H new ATOM 781 N ILE A 49 25.190 0.601 8.387 1.00 64.52 N ATOM 782 CA ILE A 49 25.400 -0.723 7.813 1.00 22.15 C ATOM 783 C ILE A 49 26.577 -0.722 6.844 1.00 24.02 C ATOM 784 O ILE A 49 27.644 -1.261 7.144 1.00 14.24 O ATOM 785 CB ILE A 49 24.144 -1.223 7.077 1.00 75.13 C ATOM 786 CG1 ILE A 49 22.950 -1.269 8.033 1.00 72.52 C ATOM 787 CG2 ILE A 49 24.396 -2.595 6.469 1.00 3.14 C ATOM 788 CD1 ILE A 49 23.163 -2.180 9.222 1.00 2.41 C ATOM 0 H ILE A 49 24.411 1.119 7.980 1.00 64.52 H new ATOM 0 HA ILE A 49 25.617 -1.396 8.643 1.00 22.15 H new ATOM 0 HB ILE A 49 23.913 -0.527 6.270 1.00 75.13 H new ATOM 0 HG12 ILE A 49 22.742 -0.261 8.391 1.00 72.52 H new ATOM 0 HG13 ILE A 49 22.068 -1.601 7.485 1.00 72.52 H new ATOM 0 HG21 ILE A 49 23.498 -2.934 5.952 1.00 3.14 H new ATOM 0 HG22 ILE A 49 25.221 -2.533 5.760 1.00 3.14 H new ATOM 0 HG23 ILE A 49 24.649 -3.302 7.259 1.00 3.14 H new ATOM 0 HD11 ILE A 49 22.277 -2.163 9.856 1.00 2.41 H new ATOM 0 HD12 ILE A 49 23.341 -3.197 8.874 1.00 2.41 H new ATOM 0 HD13 ILE A 49 24.025 -1.836 9.794 1.00 2.41 H new ATOM 800 N LEU A 50 26.378 -0.112 5.681 1.00 61.10 N ATOM 801 CA LEU A 50 27.424 -0.038 4.667 1.00 61.43 C ATOM 802 C LEU A 50 28.461 1.019 5.030 1.00 44.20 C ATOM 803 O LEU A 50 29.649 0.862 4.748 1.00 35.55 O ATOM 804 CB LEU A 50 26.815 0.277 3.300 1.00 73.15 C ATOM 805 CG LEU A 50 25.488 -0.413 2.981 1.00 60.34 C ATOM 806 CD1 LEU A 50 24.927 0.092 1.661 1.00 50.33 C ATOM 807 CD2 LEU A 50 25.669 -1.924 2.942 1.00 55.21 C ATOM 0 H LEU A 50 25.502 0.339 5.417 1.00 61.10 H new ATOM 0 HA LEU A 50 27.921 -1.007 4.622 1.00 61.43 H new ATOM 0 HB2 LEU A 50 26.667 1.355 3.230 1.00 73.15 H new ATOM 0 HB3 LEU A 50 27.538 0.004 2.531 1.00 73.15 H new ATOM 0 HG LEU A 50 24.776 -0.172 3.771 1.00 60.34 H new ATOM 0 HD11 LEU A 50 23.983 -0.410 1.451 1.00 50.33 H new ATOM 0 HD12 LEU A 50 24.760 1.167 1.724 1.00 50.33 H new ATOM 0 HD13 LEU A 50 25.636 -0.118 0.860 1.00 50.33 H new ATOM 0 HD21 LEU A 50 24.715 -2.399 2.714 1.00 55.21 H new ATOM 0 HD22 LEU A 50 26.397 -2.184 2.173 1.00 55.21 H new ATOM 0 HD23 LEU A 50 26.025 -2.273 3.911 1.00 55.21 H new ATOM 819 N GLY A 51 28.004 2.098 5.659 1.00 23.34 N ATOM 820 CA GLY A 51 28.906 3.165 6.053 1.00 32.40 C ATOM 821 C GLY A 51 28.910 4.314 5.065 1.00 64.02 C ATOM 822 O GLY A 51 29.925 4.992 4.896 1.00 75.44 O ATOM 0 H GLY A 51 27.026 2.252 5.903 1.00 23.34 H new ATOM 0 HA2 GLY A 51 28.617 3.536 7.036 1.00 32.40 H new ATOM 0 HA3 GLY A 51 29.916 2.767 6.147 1.00 32.40 H new ATOM 826 N ILE A 52 27.775 4.533 4.409 1.00 5.25 N ATOM 827 CA ILE A 52 27.653 5.608 3.433 1.00 44.15 C ATOM 828 C ILE A 52 27.364 6.941 4.115 1.00 73.33 C ATOM 829 O ILE A 52 26.679 6.992 5.137 1.00 52.14 O ATOM 830 CB ILE A 52 26.540 5.315 2.409 1.00 2.24 C ATOM 831 CG1 ILE A 52 26.588 6.331 1.266 1.00 31.02 C ATOM 832 CG2 ILE A 52 25.179 5.336 3.088 1.00 55.53 C ATOM 833 CD1 ILE A 52 27.883 6.301 0.485 1.00 11.11 C ATOM 0 H ILE A 52 26.927 3.980 4.536 1.00 5.25 H new ATOM 0 HA ILE A 52 28.608 5.670 2.911 1.00 44.15 H new ATOM 0 HB ILE A 52 26.701 4.321 1.992 1.00 2.24 H new ATOM 0 HG12 ILE A 52 25.758 6.140 0.586 1.00 31.02 H new ATOM 0 HG13 ILE A 52 26.442 7.331 1.673 1.00 31.02 H new ATOM 0 HG21 ILE A 52 24.402 5.127 2.352 1.00 55.53 H new ATOM 0 HG22 ILE A 52 25.151 4.578 3.870 1.00 55.53 H new ATOM 0 HG23 ILE A 52 25.007 6.318 3.528 1.00 55.53 H new ATOM 0 HD11 ILE A 52 27.846 7.047 -0.309 1.00 11.11 H new ATOM 0 HD12 ILE A 52 28.716 6.522 1.153 1.00 11.11 H new ATOM 0 HD13 ILE A 52 28.021 5.312 0.048 1.00 11.11 H new ATOM 845 N LYS A 53 27.888 8.019 3.542 1.00 63.31 N ATOM 846 CA LYS A 53 27.684 9.354 4.092 1.00 64.34 C ATOM 847 C LYS A 53 26.796 10.189 3.176 1.00 50.44 C ATOM 848 O LYS A 53 26.109 11.105 3.628 1.00 13.30 O ATOM 849 CB LYS A 53 29.029 10.055 4.294 1.00 44.21 C ATOM 850 CG LYS A 53 30.074 9.185 4.971 1.00 73.40 C ATOM 851 CD LYS A 53 31.391 9.922 5.138 1.00 4.53 C ATOM 852 CE LYS A 53 31.441 10.684 6.454 1.00 32.43 C ATOM 853 NZ LYS A 53 31.433 9.765 7.627 1.00 43.43 N ATOM 0 H LYS A 53 28.458 7.994 2.696 1.00 63.31 H new ATOM 0 HA LYS A 53 27.186 9.251 5.056 1.00 64.34 H new ATOM 0 HB2 LYS A 53 29.410 10.378 3.325 1.00 44.21 H new ATOM 0 HB3 LYS A 53 28.875 10.954 4.891 1.00 44.21 H new ATOM 0 HG2 LYS A 53 29.707 8.868 5.947 1.00 73.40 H new ATOM 0 HG3 LYS A 53 30.234 8.282 4.382 1.00 73.40 H new ATOM 0 HD2 LYS A 53 32.215 9.210 5.097 1.00 4.53 H new ATOM 0 HD3 LYS A 53 31.528 10.616 4.309 1.00 4.53 H new ATOM 0 HE2 LYS A 53 32.339 11.302 6.482 1.00 32.43 H new ATOM 0 HE3 LYS A 53 30.588 11.359 6.516 1.00 32.43 H new ATOM 0 HZ1 LYS A 53 31.879 10.236 8.440 1.00 43.43 H new ATOM 0 HZ2 LYS A 53 30.452 9.516 7.866 1.00 43.43 H new ATOM 0 HZ3 LYS A 53 31.963 8.901 7.395 1.00 43.43 H new