USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=13 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+ 121:sc= 0.018 (180deg=-0.445) USER MOD Single : A 4 TYR OH : rot -70:sc= -2.1! USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0628) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00821 USER MOD Single : A 26 SER OG : rot 150:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -93:sc= -2.79! USER MOD Single : A 39 SER OG : rot -140:sc= -0.844 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.0343 (180deg=-0.282) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.34) USER MOD Single : A 55 LYS NZ :NH3+ -125:sc= -0.0776 (180deg=-2.08!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -1.84 K(o=-1.8,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.832 -0.124 0.171 1.00 55.31 N ATOM 2 CA LEU A 1 2.604 -0.049 -1.065 1.00 34.04 C ATOM 3 C LEU A 1 2.653 -1.406 -1.759 1.00 23.44 C ATOM 4 O LEU A 1 2.311 -1.527 -2.935 1.00 32.11 O ATOM 5 CB LEU A 1 4.024 0.440 -0.773 1.00 75.32 C ATOM 6 CG LEU A 1 4.176 1.938 -0.506 1.00 63.44 C ATOM 7 CD1 LEU A 1 5.620 2.275 -0.167 1.00 32.23 C ATOM 8 CD2 LEU A 1 3.707 2.744 -1.708 1.00 71.05 C ATOM 0 H1 LEU A 1 2.432 0.157 0.973 1.00 55.31 H new ATOM 0 HA LEU A 1 2.112 0.661 -1.730 1.00 34.04 H new ATOM 0 HB2 LEU A 1 4.403 -0.103 0.093 1.00 75.32 H new ATOM 0 HB3 LEU A 1 4.659 0.176 -1.619 1.00 75.32 H new ATOM 0 HG LEU A 1 3.552 2.201 0.348 1.00 63.44 H new ATOM 0 HD11 LEU A 1 5.710 3.345 0.020 1.00 32.23 H new ATOM 0 HD12 LEU A 1 5.923 1.724 0.724 1.00 32.23 H new ATOM 0 HD13 LEU A 1 6.264 1.997 -1.001 1.00 32.23 H new ATOM 0 HD21 LEU A 1 3.822 3.808 -1.500 1.00 71.05 H new ATOM 0 HD22 LEU A 1 4.304 2.478 -2.580 1.00 71.05 H new ATOM 0 HD23 LEU A 1 2.658 2.525 -1.906 1.00 71.05 H new ATOM 20 N VAL A 2 3.080 -2.427 -1.021 1.00 41.05 N ATOM 21 CA VAL A 2 3.171 -3.777 -1.565 1.00 3.14 C ATOM 22 C VAL A 2 1.798 -4.301 -1.968 1.00 33.01 C ATOM 23 O VAL A 2 1.616 -4.808 -3.074 1.00 71.13 O ATOM 24 CB VAL A 2 3.802 -4.749 -0.550 1.00 12.14 C ATOM 25 CG1 VAL A 2 3.950 -6.135 -1.158 1.00 52.03 C ATOM 26 CG2 VAL A 2 5.146 -4.221 -0.071 1.00 60.24 C ATOM 0 H VAL A 2 3.368 -2.345 -0.046 1.00 41.05 H new ATOM 0 HA VAL A 2 3.808 -3.721 -2.448 1.00 3.14 H new ATOM 0 HB VAL A 2 3.140 -4.826 0.312 1.00 12.14 H new ATOM 0 HG11 VAL A 2 4.397 -6.807 -0.426 1.00 52.03 H new ATOM 0 HG12 VAL A 2 2.969 -6.513 -1.446 1.00 52.03 H new ATOM 0 HG13 VAL A 2 4.590 -6.080 -2.039 1.00 52.03 H new ATOM 0 HG21 VAL A 2 5.577 -4.920 0.645 1.00 60.24 H new ATOM 0 HG22 VAL A 2 5.818 -4.112 -0.922 1.00 60.24 H new ATOM 0 HG23 VAL A 2 5.007 -3.252 0.407 1.00 60.24 H new ATOM 36 N ALA A 3 0.833 -4.174 -1.063 1.00 30.54 N ATOM 37 CA ALA A 3 -0.526 -4.633 -1.325 1.00 4.03 C ATOM 38 C ALA A 3 -1.160 -3.845 -2.465 1.00 55.33 C ATOM 39 O ALA A 3 -2.016 -4.358 -3.187 1.00 33.05 O ATOM 40 CB ALA A 3 -1.373 -4.519 -0.066 1.00 70.22 C ATOM 0 H ALA A 3 0.967 -3.757 -0.142 1.00 30.54 H new ATOM 0 HA ALA A 3 -0.479 -5.680 -1.624 1.00 4.03 H new ATOM 0 HB1 ALA A 3 -2.385 -4.865 -0.276 1.00 70.22 H new ATOM 0 HB2 ALA A 3 -0.936 -5.131 0.723 1.00 70.22 H new ATOM 0 HB3 ALA A 3 -1.405 -3.479 0.258 1.00 70.22 H new ATOM 46 N TYR A 4 -0.737 -2.596 -2.623 1.00 2.35 N ATOM 47 CA TYR A 4 -1.267 -1.735 -3.674 1.00 24.51 C ATOM 48 C TYR A 4 -0.722 -2.145 -5.039 1.00 35.30 C ATOM 49 O TYR A 4 -1.479 -2.339 -5.989 1.00 75.21 O ATOM 50 CB TYR A 4 -0.916 -0.274 -3.391 1.00 13.33 C ATOM 51 CG TYR A 4 -1.991 0.700 -3.818 1.00 41.32 C ATOM 52 CD1 TYR A 4 -2.606 0.586 -5.059 1.00 10.43 C ATOM 53 CD2 TYR A 4 -2.392 1.734 -2.981 1.00 2.13 C ATOM 54 CE1 TYR A 4 -3.588 1.474 -5.454 1.00 4.55 C ATOM 55 CE2 TYR A 4 -3.374 2.626 -3.367 1.00 3.04 C ATOM 56 CZ TYR A 4 -3.968 2.492 -4.604 1.00 52.40 C ATOM 57 OH TYR A 4 -4.947 3.378 -4.993 1.00 43.31 O ATOM 0 H TYR A 4 -0.028 -2.157 -2.036 1.00 2.35 H new ATOM 0 HA TYR A 4 -2.351 -1.845 -3.687 1.00 24.51 H new ATOM 0 HB2 TYR A 4 -0.731 -0.154 -2.324 1.00 13.33 H new ATOM 0 HB3 TYR A 4 0.013 -0.026 -3.905 1.00 13.33 H new ATOM 0 HD1 TYR A 4 -2.311 -0.210 -5.726 1.00 10.43 H new ATOM 0 HD2 TYR A 4 -1.928 1.842 -2.012 1.00 2.13 H new ATOM 0 HE1 TYR A 4 -4.055 1.372 -6.422 1.00 4.55 H new ATOM 0 HE2 TYR A 4 -3.675 3.424 -2.704 1.00 3.04 H new ATOM 0 HH TYR A 4 -4.602 3.953 -5.708 1.00 43.31 H new ATOM 67 N GLY A 5 0.598 -2.276 -5.128 1.00 12.03 N ATOM 68 CA GLY A 5 1.223 -2.662 -6.379 1.00 75.52 C ATOM 69 C GLY A 5 2.712 -2.381 -6.395 1.00 30.31 C ATOM 70 O GLY A 5 3.469 -3.049 -7.100 1.00 71.02 O ATOM 0 H GLY A 5 1.246 -2.122 -4.355 1.00 12.03 H new ATOM 0 HA2 GLY A 5 1.055 -3.725 -6.552 1.00 75.52 H new ATOM 0 HA3 GLY A 5 0.747 -2.126 -7.200 1.00 75.52 H new ATOM 74 N ILE A 6 3.133 -1.390 -5.617 1.00 45.11 N ATOM 75 CA ILE A 6 4.542 -1.022 -5.545 1.00 40.03 C ATOM 76 C ILE A 6 5.401 -2.213 -5.134 1.00 11.13 C ATOM 77 O ILE A 6 5.054 -2.953 -4.214 1.00 11.01 O ATOM 78 CB ILE A 6 4.773 0.131 -4.551 1.00 13.13 C ATOM 79 CG1 ILE A 6 3.952 1.357 -4.958 1.00 64.30 C ATOM 80 CG2 ILE A 6 6.252 0.478 -4.476 1.00 21.02 C ATOM 81 CD1 ILE A 6 4.259 1.852 -6.354 1.00 0.30 C ATOM 0 H ILE A 6 2.519 -0.828 -5.028 1.00 45.11 H new ATOM 0 HA ILE A 6 4.834 -0.694 -6.543 1.00 40.03 H new ATOM 0 HB ILE A 6 4.445 -0.190 -3.562 1.00 13.13 H new ATOM 0 HG12 ILE A 6 2.892 1.113 -4.893 1.00 64.30 H new ATOM 0 HG13 ILE A 6 4.138 2.162 -4.247 1.00 64.30 H new ATOM 0 HG21 ILE A 6 6.399 1.295 -3.769 1.00 21.02 H new ATOM 0 HG22 ILE A 6 6.814 -0.395 -4.144 1.00 21.02 H new ATOM 0 HG23 ILE A 6 6.605 0.783 -5.461 1.00 21.02 H new ATOM 0 HD11 ILE A 6 3.641 2.722 -6.576 1.00 0.30 H new ATOM 0 HD12 ILE A 6 5.311 2.128 -6.419 1.00 0.30 H new ATOM 0 HD13 ILE A 6 4.046 1.063 -7.075 1.00 0.30 H new ATOM 93 N ALA A 7 6.525 -2.390 -5.821 1.00 32.44 N ATOM 94 CA ALA A 7 7.436 -3.489 -5.524 1.00 52.11 C ATOM 95 C ALA A 7 7.787 -3.526 -4.041 1.00 12.14 C ATOM 96 O ALA A 7 8.072 -2.493 -3.436 1.00 2.22 O ATOM 97 CB ALA A 7 8.699 -3.369 -6.364 1.00 54.44 C ATOM 0 H ALA A 7 6.826 -1.787 -6.586 1.00 32.44 H new ATOM 0 HA ALA A 7 6.933 -4.423 -5.775 1.00 52.11 H new ATOM 0 HB1 ALA A 7 9.370 -4.196 -6.132 1.00 54.44 H new ATOM 0 HB2 ALA A 7 8.437 -3.400 -7.422 1.00 54.44 H new ATOM 0 HB3 ALA A 7 9.196 -2.425 -6.141 1.00 54.44 H new ATOM 103 N GLN A 8 7.763 -4.722 -3.461 1.00 53.22 N ATOM 104 CA GLN A 8 8.077 -4.892 -2.048 1.00 3.44 C ATOM 105 C GLN A 8 9.551 -4.603 -1.779 1.00 73.33 C ATOM 106 O GLN A 8 9.896 -3.948 -0.798 1.00 5.45 O ATOM 107 CB GLN A 8 7.732 -6.311 -1.594 1.00 22.14 C ATOM 108 CG GLN A 8 8.425 -7.394 -2.404 1.00 25.40 C ATOM 109 CD GLN A 8 7.594 -8.656 -2.524 1.00 33.13 C ATOM 110 OE1 GLN A 8 7.035 -9.141 -1.539 1.00 50.13 O ATOM 111 NE2 GLN A 8 7.507 -9.196 -3.734 1.00 13.50 N ATOM 0 H GLN A 8 7.529 -5.587 -3.948 1.00 53.22 H new ATOM 0 HA GLN A 8 7.477 -4.181 -1.480 1.00 3.44 H new ATOM 0 HB2 GLN A 8 8.004 -6.424 -0.544 1.00 22.14 H new ATOM 0 HB3 GLN A 8 6.653 -6.453 -1.661 1.00 22.14 H new ATOM 0 HG2 GLN A 8 8.644 -7.012 -3.401 1.00 25.40 H new ATOM 0 HG3 GLN A 8 9.380 -7.636 -1.938 1.00 25.40 H new ATOM 0 HE21 GLN A 8 7.986 -8.761 -4.522 1.00 13.50 H new ATOM 0 HE22 GLN A 8 6.961 -10.046 -3.875 1.00 13.50 H new ATOM 120 N GLY A 9 10.416 -5.099 -2.659 1.00 54.34 N ATOM 121 CA GLY A 9 11.842 -4.884 -2.499 1.00 71.13 C ATOM 122 C GLY A 9 12.205 -3.413 -2.455 1.00 24.23 C ATOM 123 O GLY A 9 12.959 -2.978 -1.583 1.00 54.51 O ATOM 0 H GLY A 9 10.154 -5.646 -3.479 1.00 54.34 H new ATOM 0 HA2 GLY A 9 12.178 -5.366 -1.581 1.00 71.13 H new ATOM 0 HA3 GLY A 9 12.373 -5.362 -3.322 1.00 71.13 H new ATOM 127 N THR A 10 11.671 -2.644 -3.398 1.00 53.10 N ATOM 128 CA THR A 10 11.945 -1.214 -3.465 1.00 21.21 C ATOM 129 C THR A 10 11.150 -0.452 -2.411 1.00 4.11 C ATOM 130 O THR A 10 11.612 0.559 -1.883 1.00 0.21 O ATOM 131 CB THR A 10 11.612 -0.643 -4.856 1.00 14.41 C ATOM 132 OG1 THR A 10 12.399 -1.298 -5.856 1.00 44.54 O ATOM 133 CG2 THR A 10 11.869 0.856 -4.901 1.00 62.01 C ATOM 0 H THR A 10 11.046 -2.988 -4.127 1.00 53.10 H new ATOM 0 HA THR A 10 13.011 -1.087 -3.274 1.00 21.21 H new ATOM 0 HB THR A 10 10.555 -0.820 -5.054 1.00 14.41 H new ATOM 0 HG1 THR A 10 12.180 -0.930 -6.738 1.00 44.54 H new ATOM 0 HG21 THR A 10 11.627 1.237 -5.893 1.00 62.01 H new ATOM 0 HG22 THR A 10 11.246 1.354 -4.159 1.00 62.01 H new ATOM 0 HG23 THR A 10 12.919 1.052 -4.684 1.00 62.01 H new ATOM 141 N ALA A 11 9.953 -0.944 -2.109 1.00 3.23 N ATOM 142 CA ALA A 11 9.096 -0.310 -1.115 1.00 55.12 C ATOM 143 C ALA A 11 9.846 -0.081 0.192 1.00 3.41 C ATOM 144 O ALA A 11 9.805 1.011 0.758 1.00 4.21 O ATOM 145 CB ALA A 11 7.855 -1.156 -0.872 1.00 72.31 C ATOM 0 H ALA A 11 9.555 -1.779 -2.538 1.00 3.23 H new ATOM 0 HA ALA A 11 8.790 0.662 -1.503 1.00 55.12 H new ATOM 0 HB1 ALA A 11 7.224 -0.671 -0.127 1.00 72.31 H new ATOM 0 HB2 ALA A 11 7.300 -1.264 -1.804 1.00 72.31 H new ATOM 0 HB3 ALA A 11 8.151 -2.141 -0.510 1.00 72.31 H new ATOM 151 N GLU A 12 10.530 -1.117 0.666 1.00 25.21 N ATOM 152 CA GLU A 12 11.289 -1.028 1.908 1.00 10.52 C ATOM 153 C GLU A 12 12.227 0.176 1.887 1.00 14.34 C ATOM 154 O GLU A 12 12.270 0.961 2.835 1.00 32.13 O ATOM 155 CB GLU A 12 12.092 -2.310 2.135 1.00 45.21 C ATOM 156 CG GLU A 12 11.317 -3.392 2.867 1.00 25.32 C ATOM 157 CD GLU A 12 12.048 -4.721 2.887 1.00 51.04 C ATOM 158 OE1 GLU A 12 12.825 -4.956 3.835 1.00 24.04 O ATOM 159 OE2 GLU A 12 11.843 -5.525 1.954 1.00 73.22 O ATOM 0 H GLU A 12 10.574 -2.028 0.209 1.00 25.21 H new ATOM 0 HA GLU A 12 10.582 -0.902 2.728 1.00 10.52 H new ATOM 0 HB2 GLU A 12 12.420 -2.699 1.171 1.00 45.21 H new ATOM 0 HB3 GLU A 12 12.990 -2.070 2.704 1.00 45.21 H new ATOM 0 HG2 GLU A 12 11.129 -3.069 3.891 1.00 25.32 H new ATOM 0 HG3 GLU A 12 10.345 -3.523 2.391 1.00 25.32 H new ATOM 166 N LYS A 13 12.977 0.316 0.800 1.00 71.52 N ATOM 167 CA LYS A 13 13.914 1.423 0.653 1.00 61.22 C ATOM 168 C LYS A 13 13.172 2.748 0.507 1.00 63.32 C ATOM 169 O LYS A 13 13.590 3.768 1.054 1.00 1.13 O ATOM 170 CB LYS A 13 14.818 1.196 -0.561 1.00 75.44 C ATOM 171 CG LYS A 13 15.526 -0.148 -0.550 1.00 12.05 C ATOM 172 CD LYS A 13 16.542 -0.253 -1.674 1.00 42.52 C ATOM 173 CE LYS A 13 17.222 -1.613 -1.686 1.00 42.03 C ATOM 174 NZ LYS A 13 18.090 -1.810 -0.492 1.00 43.24 N ATOM 0 H LYS A 13 12.954 -0.324 0.006 1.00 71.52 H new ATOM 0 HA LYS A 13 14.528 1.468 1.552 1.00 61.22 H new ATOM 0 HB2 LYS A 13 14.220 1.274 -1.469 1.00 75.44 H new ATOM 0 HB3 LYS A 13 15.564 1.990 -0.601 1.00 75.44 H new ATOM 0 HG2 LYS A 13 16.026 -0.289 0.408 1.00 12.05 H new ATOM 0 HG3 LYS A 13 14.792 -0.948 -0.646 1.00 12.05 H new ATOM 0 HD2 LYS A 13 16.047 -0.084 -2.630 1.00 42.52 H new ATOM 0 HD3 LYS A 13 17.293 0.529 -1.561 1.00 42.52 H new ATOM 0 HE2 LYS A 13 16.465 -2.397 -1.718 1.00 42.03 H new ATOM 0 HE3 LYS A 13 17.822 -1.711 -2.591 1.00 42.03 H new ATOM 0 HZ1 LYS A 13 18.651 -2.678 -0.610 1.00 43.24 H new ATOM 0 HZ2 LYS A 13 18.729 -0.996 -0.389 1.00 43.24 H new ATOM 0 HZ3 LYS A 13 17.497 -1.894 0.358 1.00 43.24 H new ATOM 188 N VAL A 14 12.069 2.724 -0.234 1.00 13.42 N ATOM 189 CA VAL A 14 11.267 3.923 -0.449 1.00 42.22 C ATOM 190 C VAL A 14 10.725 4.466 0.868 1.00 21.12 C ATOM 191 O VAL A 14 10.605 5.678 1.051 1.00 64.52 O ATOM 192 CB VAL A 14 10.089 3.647 -1.402 1.00 33.33 C ATOM 193 CG1 VAL A 14 9.245 4.899 -1.584 1.00 74.25 C ATOM 194 CG2 VAL A 14 10.596 3.135 -2.742 1.00 12.34 C ATOM 0 H VAL A 14 11.710 1.888 -0.695 1.00 13.42 H new ATOM 0 HA VAL A 14 11.924 4.666 -0.901 1.00 42.22 H new ATOM 0 HB VAL A 14 9.459 2.875 -0.960 1.00 33.33 H new ATOM 0 HG11 VAL A 14 8.418 4.685 -2.260 1.00 74.25 H new ATOM 0 HG12 VAL A 14 8.851 5.216 -0.618 1.00 74.25 H new ATOM 0 HG13 VAL A 14 9.860 5.695 -2.004 1.00 74.25 H new ATOM 0 HG21 VAL A 14 9.750 2.945 -3.403 1.00 12.34 H new ATOM 0 HG22 VAL A 14 11.249 3.882 -3.194 1.00 12.34 H new ATOM 0 HG23 VAL A 14 11.153 2.210 -2.591 1.00 12.34 H new ATOM 204 N VAL A 15 10.399 3.561 1.785 1.00 34.33 N ATOM 205 CA VAL A 15 9.870 3.948 3.088 1.00 44.22 C ATOM 206 C VAL A 15 10.813 4.913 3.798 1.00 21.14 C ATOM 207 O VAL A 15 10.373 5.857 4.454 1.00 21.13 O ATOM 208 CB VAL A 15 9.637 2.720 3.987 1.00 24.41 C ATOM 209 CG1 VAL A 15 9.120 3.147 5.352 1.00 5.22 C ATOM 210 CG2 VAL A 15 8.673 1.749 3.323 1.00 73.13 C ATOM 0 H VAL A 15 10.492 2.554 1.650 1.00 34.33 H new ATOM 0 HA VAL A 15 8.915 4.443 2.908 1.00 44.22 H new ATOM 0 HB VAL A 15 10.590 2.210 4.129 1.00 24.41 H new ATOM 0 HG11 VAL A 15 8.961 2.265 5.973 1.00 5.22 H new ATOM 0 HG12 VAL A 15 9.850 3.801 5.829 1.00 5.22 H new ATOM 0 HG13 VAL A 15 8.177 3.681 5.233 1.00 5.22 H new ATOM 0 HG21 VAL A 15 8.520 0.887 3.972 1.00 73.13 H new ATOM 0 HG22 VAL A 15 7.719 2.246 3.148 1.00 73.13 H new ATOM 0 HG23 VAL A 15 9.089 1.417 2.372 1.00 73.13 H new ATOM 220 N SER A 16 12.113 4.669 3.663 1.00 52.23 N ATOM 221 CA SER A 16 13.119 5.515 4.295 1.00 70.44 C ATOM 222 C SER A 16 13.026 6.948 3.779 1.00 20.51 C ATOM 223 O SER A 16 13.276 7.902 4.516 1.00 11.41 O ATOM 224 CB SER A 16 14.520 4.957 4.035 1.00 11.12 C ATOM 225 OG SER A 16 15.445 5.433 4.998 1.00 55.12 O ATOM 0 H SER A 16 12.494 3.893 3.122 1.00 52.23 H new ATOM 0 HA SER A 16 12.931 5.521 5.369 1.00 70.44 H new ATOM 0 HB2 SER A 16 14.492 3.868 4.061 1.00 11.12 H new ATOM 0 HB3 SER A 16 14.850 5.244 3.036 1.00 11.12 H new ATOM 0 HG SER A 16 16.332 5.061 4.811 1.00 55.12 H new ATOM 231 N LEU A 17 12.665 7.090 2.509 1.00 40.13 N ATOM 232 CA LEU A 17 12.538 8.406 1.892 1.00 4.34 C ATOM 233 C LEU A 17 11.316 9.144 2.430 1.00 5.12 C ATOM 234 O LEU A 17 11.354 10.357 2.638 1.00 54.31 O ATOM 235 CB LEU A 17 12.439 8.272 0.372 1.00 73.31 C ATOM 236 CG LEU A 17 13.717 8.569 -0.413 1.00 74.34 C ATOM 237 CD1 LEU A 17 14.878 7.749 0.127 1.00 10.01 C ATOM 238 CD2 LEU A 17 13.509 8.290 -1.895 1.00 51.50 C ATOM 0 H LEU A 17 12.455 6.310 1.886 1.00 40.13 H new ATOM 0 HA LEU A 17 13.428 8.984 2.142 1.00 4.34 H new ATOM 0 HB2 LEU A 17 12.120 7.257 0.137 1.00 73.31 H new ATOM 0 HB3 LEU A 17 11.655 8.942 0.019 1.00 73.31 H new ATOM 0 HG LEU A 17 13.958 9.625 -0.292 1.00 74.34 H new ATOM 0 HD11 LEU A 17 15.779 7.974 -0.444 1.00 10.01 H new ATOM 0 HD12 LEU A 17 15.042 7.997 1.176 1.00 10.01 H new ATOM 0 HD13 LEU A 17 14.647 6.688 0.037 1.00 10.01 H new ATOM 0 HD21 LEU A 17 14.429 8.507 -2.439 1.00 51.50 H new ATOM 0 HD22 LEU A 17 13.244 7.242 -2.034 1.00 51.50 H new ATOM 0 HD23 LEU A 17 12.706 8.921 -2.275 1.00 51.50 H new ATOM 250 N ILE A 18 10.236 8.404 2.655 1.00 24.34 N ATOM 251 CA ILE A 18 9.005 8.987 3.172 1.00 11.43 C ATOM 252 C ILE A 18 9.203 9.528 4.585 1.00 61.45 C ATOM 253 O ILE A 18 8.851 10.669 4.878 1.00 33.04 O ATOM 254 CB ILE A 18 7.857 7.961 3.184 1.00 71.20 C ATOM 255 CG1 ILE A 18 7.735 7.284 1.817 1.00 13.31 C ATOM 256 CG2 ILE A 18 6.548 8.635 3.566 1.00 34.24 C ATOM 257 CD1 ILE A 18 6.631 6.252 1.750 1.00 22.23 C ATOM 0 H ILE A 18 10.189 7.399 2.487 1.00 24.34 H new ATOM 0 HA ILE A 18 8.741 9.808 2.505 1.00 11.43 H new ATOM 0 HB ILE A 18 8.080 7.197 3.929 1.00 71.20 H new ATOM 0 HG12 ILE A 18 7.556 8.046 1.058 1.00 13.31 H new ATOM 0 HG13 ILE A 18 8.683 6.806 1.571 1.00 13.31 H new ATOM 0 HG21 ILE A 18 5.746 7.897 3.570 1.00 34.24 H new ATOM 0 HG22 ILE A 18 6.641 9.075 4.559 1.00 34.24 H new ATOM 0 HG23 ILE A 18 6.317 9.417 2.843 1.00 34.24 H new ATOM 0 HD11 ILE A 18 6.603 5.813 0.753 1.00 22.23 H new ATOM 0 HD12 ILE A 18 6.819 5.470 2.485 1.00 22.23 H new ATOM 0 HD13 ILE A 18 5.674 6.728 1.964 1.00 22.23 H new ATOM 269 N ASN A 19 9.772 8.699 5.455 1.00 55.33 N ATOM 270 CA ASN A 19 10.018 9.094 6.837 1.00 44.23 C ATOM 271 C ASN A 19 10.916 10.327 6.898 1.00 35.33 C ATOM 272 O ASN A 19 10.861 11.100 7.854 1.00 32.44 O ATOM 273 CB ASN A 19 10.662 7.942 7.611 1.00 12.11 C ATOM 274 CG ASN A 19 9.662 6.862 7.978 1.00 50.42 C ATOM 275 OD1 ASN A 19 8.728 7.100 8.744 1.00 52.15 O ATOM 276 ND2 ASN A 19 9.855 5.668 7.431 1.00 33.43 N ATOM 0 H ASN A 19 10.071 7.751 5.227 1.00 55.33 H new ATOM 0 HA ASN A 19 9.060 9.340 7.295 1.00 44.23 H new ATOM 0 HB2 ASN A 19 11.460 7.506 7.010 1.00 12.11 H new ATOM 0 HB3 ASN A 19 11.123 8.331 8.519 1.00 12.11 H new ATOM 0 HD21 ASN A 19 9.215 4.902 7.640 1.00 33.43 H new ATOM 0 HD22 ASN A 19 10.643 5.517 6.801 1.00 33.43 H new ATOM 283 N ALA A 20 11.740 10.503 5.871 1.00 3.43 N ATOM 284 CA ALA A 20 12.647 11.643 5.807 1.00 22.31 C ATOM 285 C ALA A 20 11.875 12.954 5.704 1.00 21.30 C ATOM 286 O ALA A 20 12.406 14.023 6.001 1.00 11.03 O ATOM 287 CB ALA A 20 13.599 11.494 4.629 1.00 14.20 C ATOM 0 H ALA A 20 11.799 9.871 5.072 1.00 3.43 H new ATOM 0 HA ALA A 20 13.228 11.666 6.729 1.00 22.31 H new ATOM 0 HB1 ALA A 20 14.270 12.352 4.593 1.00 14.20 H new ATOM 0 HB2 ALA A 20 14.183 10.581 4.746 1.00 14.20 H new ATOM 0 HB3 ALA A 20 13.027 11.442 3.703 1.00 14.20 H new ATOM 293 N GLY A 21 10.618 12.863 5.280 1.00 42.42 N ATOM 294 CA GLY A 21 9.794 14.050 5.144 1.00 11.12 C ATOM 295 C GLY A 21 9.821 14.618 3.739 1.00 63.30 C ATOM 296 O GLY A 21 9.460 15.775 3.521 1.00 35.14 O ATOM 0 H GLY A 21 10.156 11.989 5.028 1.00 42.42 H new ATOM 0 HA2 GLY A 21 8.766 13.808 5.415 1.00 11.12 H new ATOM 0 HA3 GLY A 21 10.138 14.809 5.846 1.00 11.12 H new ATOM 300 N LEU A 22 10.253 13.803 2.782 1.00 12.42 N ATOM 301 CA LEU A 22 10.328 14.231 1.390 1.00 40.34 C ATOM 302 C LEU A 22 8.939 14.285 0.761 1.00 65.54 C ATOM 303 O LEU A 22 8.095 13.426 1.019 1.00 50.11 O ATOM 304 CB LEU A 22 11.226 13.284 0.592 1.00 33.30 C ATOM 305 CG LEU A 22 12.714 13.634 0.564 1.00 30.42 C ATOM 306 CD1 LEU A 22 12.954 14.881 -0.272 1.00 75.13 C ATOM 307 CD2 LEU A 22 13.243 13.828 1.978 1.00 72.52 C ATOM 0 H LEU A 22 10.556 12.843 2.945 1.00 12.42 H new ATOM 0 HA LEU A 22 10.756 15.233 1.366 1.00 40.34 H new ATOM 0 HB2 LEU A 22 11.117 12.280 1.003 1.00 33.30 H new ATOM 0 HB3 LEU A 22 10.862 13.250 -0.435 1.00 33.30 H new ATOM 0 HG LEU A 22 13.254 12.805 0.106 1.00 30.42 H new ATOM 0 HD11 LEU A 22 14.019 15.114 -0.280 1.00 75.13 H new ATOM 0 HD12 LEU A 22 12.613 14.706 -1.292 1.00 75.13 H new ATOM 0 HD13 LEU A 22 12.402 15.718 0.156 1.00 75.13 H new ATOM 0 HD21 LEU A 22 14.304 14.076 1.939 1.00 72.52 H new ATOM 0 HD22 LEU A 22 12.698 14.638 2.462 1.00 72.52 H new ATOM 0 HD23 LEU A 22 13.107 12.908 2.547 1.00 72.52 H new ATOM 319 N THR A 23 8.709 15.298 -0.069 1.00 65.30 N ATOM 320 CA THR A 23 7.424 15.463 -0.736 1.00 63.42 C ATOM 321 C THR A 23 7.281 14.491 -1.902 1.00 23.21 C ATOM 322 O THR A 23 8.274 14.001 -2.440 1.00 61.32 O ATOM 323 CB THR A 23 7.242 16.901 -1.256 1.00 71.03 C ATOM 324 OG1 THR A 23 8.414 17.318 -1.966 1.00 31.23 O ATOM 325 CG2 THR A 23 6.969 17.861 -0.108 1.00 45.13 C ATOM 0 H THR A 23 9.397 16.017 -0.295 1.00 65.30 H new ATOM 0 HA THR A 23 6.653 15.252 0.006 1.00 63.42 H new ATOM 0 HB THR A 23 6.386 16.914 -1.931 1.00 71.03 H new ATOM 0 HG1 THR A 23 8.289 18.233 -2.295 1.00 31.23 H new ATOM 0 HG21 THR A 23 6.844 18.870 -0.500 1.00 45.13 H new ATOM 0 HG22 THR A 23 6.060 17.558 0.411 1.00 45.13 H new ATOM 0 HG23 THR A 23 7.807 17.843 0.588 1.00 45.13 H new ATOM 333 N VAL A 24 6.039 14.216 -2.288 1.00 44.25 N ATOM 334 CA VAL A 24 5.767 13.304 -3.393 1.00 35.25 C ATOM 335 C VAL A 24 6.568 13.686 -4.632 1.00 21.51 C ATOM 336 O VAL A 24 6.931 12.829 -5.438 1.00 15.53 O ATOM 337 CB VAL A 24 4.268 13.286 -3.749 1.00 2.31 C ATOM 338 CG1 VAL A 24 3.432 12.942 -2.526 1.00 22.32 C ATOM 339 CG2 VAL A 24 3.845 14.625 -4.335 1.00 34.14 C ATOM 0 H VAL A 24 5.206 14.611 -1.852 1.00 44.25 H new ATOM 0 HA VAL A 24 6.067 12.309 -3.063 1.00 35.25 H new ATOM 0 HB VAL A 24 4.100 12.516 -4.502 1.00 2.31 H new ATOM 0 HG11 VAL A 24 2.376 12.934 -2.797 1.00 22.32 H new ATOM 0 HG12 VAL A 24 3.718 11.958 -2.154 1.00 22.32 H new ATOM 0 HG13 VAL A 24 3.601 13.687 -1.748 1.00 22.32 H new ATOM 0 HG21 VAL A 24 2.784 14.595 -4.581 1.00 34.14 H new ATOM 0 HG22 VAL A 24 4.027 15.415 -3.606 1.00 34.14 H new ATOM 0 HG23 VAL A 24 4.421 14.825 -5.238 1.00 34.14 H new ATOM 349 N GLY A 25 6.842 14.978 -4.778 1.00 4.43 N ATOM 350 CA GLY A 25 7.600 15.452 -5.921 1.00 70.45 C ATOM 351 C GLY A 25 8.917 14.719 -6.088 1.00 13.21 C ATOM 352 O GLY A 25 9.219 14.209 -7.167 1.00 1.43 O ATOM 0 H GLY A 25 6.552 15.706 -4.125 1.00 4.43 H new ATOM 0 HA2 GLY A 25 7.003 15.330 -6.825 1.00 70.45 H new ATOM 0 HA3 GLY A 25 7.793 16.519 -5.808 1.00 70.45 H new ATOM 356 N SER A 26 9.703 14.668 -5.017 1.00 70.05 N ATOM 357 CA SER A 26 10.997 13.997 -5.051 1.00 44.42 C ATOM 358 C SER A 26 10.829 12.503 -5.310 1.00 53.45 C ATOM 359 O SER A 26 11.723 11.851 -5.849 1.00 45.01 O ATOM 360 CB SER A 26 11.744 14.217 -3.734 1.00 32.11 C ATOM 361 OG SER A 26 12.928 13.441 -3.683 1.00 63.34 O ATOM 0 H SER A 26 9.466 15.083 -4.116 1.00 70.05 H new ATOM 0 HA SER A 26 11.579 14.426 -5.867 1.00 44.42 H new ATOM 0 HB2 SER A 26 11.993 15.273 -3.625 1.00 32.11 H new ATOM 0 HB3 SER A 26 11.097 13.954 -2.897 1.00 32.11 H new ATOM 0 HG SER A 26 13.598 13.903 -3.137 1.00 63.34 H new ATOM 367 N ILE A 27 9.676 11.969 -4.923 1.00 74.21 N ATOM 368 CA ILE A 27 9.388 10.553 -5.114 1.00 64.52 C ATOM 369 C ILE A 27 9.242 10.216 -6.594 1.00 64.03 C ATOM 370 O ILE A 27 9.821 9.244 -7.080 1.00 22.30 O ATOM 371 CB ILE A 27 8.104 10.134 -4.375 1.00 32.11 C ATOM 372 CG1 ILE A 27 8.145 10.615 -2.923 1.00 40.21 C ATOM 373 CG2 ILE A 27 7.927 8.624 -4.433 1.00 63.13 C ATOM 374 CD1 ILE A 27 9.233 9.961 -2.100 1.00 41.44 C ATOM 0 H ILE A 27 8.926 12.495 -4.475 1.00 74.21 H new ATOM 0 HA ILE A 27 10.232 10.002 -4.700 1.00 64.52 H new ATOM 0 HB ILE A 27 7.251 10.599 -4.869 1.00 32.11 H new ATOM 0 HG12 ILE A 27 8.291 11.695 -2.911 1.00 40.21 H new ATOM 0 HG13 ILE A 27 7.180 10.418 -2.456 1.00 40.21 H new ATOM 0 HG21 ILE A 27 7.015 8.344 -3.906 1.00 63.13 H new ATOM 0 HG22 ILE A 27 7.857 8.305 -5.473 1.00 63.13 H new ATOM 0 HG23 ILE A 27 8.782 8.139 -3.961 1.00 63.13 H new ATOM 0 HD11 ILE A 27 9.203 10.350 -1.082 1.00 41.44 H new ATOM 0 HD12 ILE A 27 9.077 8.882 -2.081 1.00 41.44 H new ATOM 0 HD13 ILE A 27 10.205 10.179 -2.543 1.00 41.44 H new ATOM 386 N ILE A 28 8.467 11.027 -7.306 1.00 61.00 N ATOM 387 CA ILE A 28 8.248 10.817 -8.732 1.00 33.24 C ATOM 388 C ILE A 28 9.571 10.674 -9.476 1.00 72.32 C ATOM 389 O ILE A 28 9.665 9.940 -10.460 1.00 70.01 O ATOM 390 CB ILE A 28 7.444 11.974 -9.354 1.00 72.41 C ATOM 391 CG1 ILE A 28 6.107 12.142 -8.630 1.00 34.12 C ATOM 392 CG2 ILE A 28 7.221 11.725 -10.838 1.00 52.14 C ATOM 393 CD1 ILE A 28 5.178 10.959 -8.794 1.00 13.34 C ATOM 0 H ILE A 28 7.980 11.835 -6.919 1.00 61.00 H new ATOM 0 HA ILE A 28 7.677 9.894 -8.831 1.00 33.24 H new ATOM 0 HB ILE A 28 8.015 12.896 -9.241 1.00 72.41 H new ATOM 0 HG12 ILE A 28 6.295 12.301 -7.568 1.00 34.12 H new ATOM 0 HG13 ILE A 28 5.611 13.038 -9.003 1.00 34.12 H new ATOM 0 HG21 ILE A 28 6.651 12.551 -11.264 1.00 52.14 H new ATOM 0 HG22 ILE A 28 8.184 11.650 -11.343 1.00 52.14 H new ATOM 0 HG23 ILE A 28 6.668 10.796 -10.972 1.00 52.14 H new ATOM 0 HD11 ILE A 28 4.250 11.148 -8.254 1.00 13.34 H new ATOM 0 HD12 ILE A 28 4.959 10.812 -9.852 1.00 13.34 H new ATOM 0 HD13 ILE A 28 5.655 10.064 -8.394 1.00 13.34 H new ATOM 405 N SER A 29 10.592 11.379 -8.999 1.00 35.33 N ATOM 406 CA SER A 29 11.910 11.332 -9.620 1.00 52.02 C ATOM 407 C SER A 29 12.470 9.913 -9.600 1.00 2.12 C ATOM 408 O SER A 29 12.911 9.393 -10.626 1.00 15.35 O ATOM 409 CB SER A 29 12.870 12.282 -8.901 1.00 73.13 C ATOM 410 OG SER A 29 14.103 12.381 -9.593 1.00 74.00 O ATOM 0 H SER A 29 10.531 11.990 -8.184 1.00 35.33 H new ATOM 0 HA SER A 29 11.807 11.648 -10.658 1.00 52.02 H new ATOM 0 HB2 SER A 29 12.416 13.269 -8.818 1.00 73.13 H new ATOM 0 HB3 SER A 29 13.047 11.926 -7.886 1.00 73.13 H new ATOM 0 HG SER A 29 14.698 12.995 -9.114 1.00 74.00 H new ATOM 416 N ILE A 30 12.450 9.293 -8.425 1.00 31.31 N ATOM 417 CA ILE A 30 12.955 7.934 -8.270 1.00 55.13 C ATOM 418 C ILE A 30 11.955 6.913 -8.803 1.00 24.42 C ATOM 419 O ILE A 30 12.332 5.810 -9.204 1.00 15.25 O ATOM 420 CB ILE A 30 13.264 7.613 -6.796 1.00 72.32 C ATOM 421 CG1 ILE A 30 14.211 8.662 -6.210 1.00 55.34 C ATOM 422 CG2 ILE A 30 13.865 6.221 -6.672 1.00 64.14 C ATOM 423 CD1 ILE A 30 15.570 8.687 -6.874 1.00 12.32 C ATOM 0 H ILE A 30 12.090 9.710 -7.567 1.00 31.31 H new ATOM 0 HA ILE A 30 13.877 7.872 -8.847 1.00 55.13 H new ATOM 0 HB ILE A 30 12.332 7.637 -6.231 1.00 72.32 H new ATOM 0 HG12 ILE A 30 13.752 9.646 -6.303 1.00 55.34 H new ATOM 0 HG13 ILE A 30 14.339 8.469 -5.145 1.00 55.34 H new ATOM 0 HG21 ILE A 30 14.078 6.009 -5.624 1.00 64.14 H new ATOM 0 HG22 ILE A 30 13.159 5.484 -7.055 1.00 64.14 H new ATOM 0 HG23 ILE A 30 14.789 6.171 -7.247 1.00 64.14 H new ATOM 0 HD11 ILE A 30 16.189 9.454 -6.408 1.00 12.32 H new ATOM 0 HD12 ILE A 30 16.049 7.715 -6.759 1.00 12.32 H new ATOM 0 HD13 ILE A 30 15.453 8.910 -7.934 1.00 12.32 H new ATOM 435 N LEU A 31 10.681 7.286 -8.806 1.00 54.40 N ATOM 436 CA LEU A 31 9.626 6.404 -9.292 1.00 34.44 C ATOM 437 C LEU A 31 9.803 6.109 -10.778 1.00 22.14 C ATOM 438 O LEU A 31 9.336 5.087 -11.278 1.00 62.14 O ATOM 439 CB LEU A 31 8.253 7.033 -9.045 1.00 63.21 C ATOM 440 CG LEU A 31 7.733 6.966 -7.609 1.00 13.41 C ATOM 441 CD1 LEU A 31 6.459 7.785 -7.464 1.00 42.15 C ATOM 442 CD2 LEU A 31 7.490 5.522 -7.196 1.00 1.12 C ATOM 0 H LEU A 31 10.353 8.194 -8.477 1.00 54.40 H new ATOM 0 HA LEU A 31 9.692 5.464 -8.744 1.00 34.44 H new ATOM 0 HB2 LEU A 31 8.296 8.080 -9.346 1.00 63.21 H new ATOM 0 HB3 LEU A 31 7.529 6.543 -9.696 1.00 63.21 H new ATOM 0 HG LEU A 31 8.490 7.389 -6.949 1.00 13.41 H new ATOM 0 HD11 LEU A 31 6.103 7.726 -6.435 1.00 42.15 H new ATOM 0 HD12 LEU A 31 6.664 8.825 -7.717 1.00 42.15 H new ATOM 0 HD13 LEU A 31 5.695 7.392 -8.135 1.00 42.15 H new ATOM 0 HD21 LEU A 31 7.120 5.494 -6.171 1.00 1.12 H new ATOM 0 HD22 LEU A 31 6.752 5.073 -7.860 1.00 1.12 H new ATOM 0 HD23 LEU A 31 8.424 4.963 -7.260 1.00 1.12 H new ATOM 454 N GLY A 32 10.484 7.012 -11.478 1.00 32.43 N ATOM 455 CA GLY A 32 10.713 6.829 -12.899 1.00 1.10 C ATOM 456 C GLY A 32 10.302 8.040 -13.713 1.00 2.23 C ATOM 457 O GLY A 32 10.968 8.400 -14.682 1.00 41.34 O ATOM 0 H GLY A 32 10.881 7.866 -11.086 1.00 32.43 H new ATOM 0 HA2 GLY A 32 11.769 6.622 -13.070 1.00 1.10 H new ATOM 0 HA3 GLY A 32 10.157 5.957 -13.244 1.00 1.10 H new ATOM 461 N GLY A 33 9.200 8.670 -13.318 1.00 52.41 N ATOM 462 CA GLY A 33 8.719 9.840 -14.030 1.00 11.11 C ATOM 463 C GLY A 33 7.245 9.745 -14.372 1.00 43.31 C ATOM 464 O GLY A 33 6.730 8.659 -14.637 1.00 24.24 O ATOM 0 H GLY A 33 8.632 8.391 -12.518 1.00 52.41 H new ATOM 0 HA2 GLY A 33 8.891 10.728 -13.422 1.00 11.11 H new ATOM 0 HA3 GLY A 33 9.294 9.965 -14.947 1.00 11.11 H new ATOM 468 N VAL A 34 6.563 10.886 -14.366 1.00 2.34 N ATOM 469 CA VAL A 34 5.139 10.928 -14.677 1.00 65.31 C ATOM 470 C VAL A 34 4.365 9.912 -13.845 1.00 21.21 C ATOM 471 O VAL A 34 3.318 9.417 -14.264 1.00 64.34 O ATOM 472 CB VAL A 34 4.884 10.653 -16.171 1.00 14.01 C ATOM 473 CG1 VAL A 34 3.489 11.113 -16.567 1.00 41.54 C ATOM 474 CG2 VAL A 34 5.942 11.333 -17.026 1.00 51.22 C ATOM 0 H VAL A 34 6.974 11.794 -14.149 1.00 2.34 H new ATOM 0 HA VAL A 34 4.791 11.932 -14.435 1.00 65.31 H new ATOM 0 HB VAL A 34 4.949 9.578 -16.342 1.00 14.01 H new ATOM 0 HG11 VAL A 34 3.326 10.911 -17.626 1.00 41.54 H new ATOM 0 HG12 VAL A 34 2.747 10.575 -15.977 1.00 41.54 H new ATOM 0 HG13 VAL A 34 3.393 12.183 -16.383 1.00 41.54 H new ATOM 0 HG21 VAL A 34 5.746 11.128 -18.078 1.00 51.22 H new ATOM 0 HG22 VAL A 34 5.912 12.409 -16.854 1.00 51.22 H new ATOM 0 HG23 VAL A 34 6.927 10.950 -16.759 1.00 51.22 H new ATOM 484 N THR A 35 4.886 9.605 -12.661 1.00 21.51 N ATOM 485 CA THR A 35 4.245 8.647 -11.769 1.00 34.01 C ATOM 486 C THR A 35 3.238 9.336 -10.855 1.00 1.13 C ATOM 487 O THR A 35 2.732 8.735 -9.907 1.00 2.22 O ATOM 488 CB THR A 35 5.280 7.903 -10.905 1.00 23.01 C ATOM 489 OG1 THR A 35 6.312 8.806 -10.490 1.00 74.34 O ATOM 490 CG2 THR A 35 5.894 6.743 -11.675 1.00 12.05 C ATOM 0 H THR A 35 5.751 10.006 -12.298 1.00 21.51 H new ATOM 0 HA THR A 35 3.725 7.926 -12.400 1.00 34.01 H new ATOM 0 HB THR A 35 4.770 7.507 -10.027 1.00 23.01 H new ATOM 0 HG1 THR A 35 7.055 8.769 -11.128 1.00 74.34 H new ATOM 0 HG21 THR A 35 6.622 6.233 -11.044 1.00 12.05 H new ATOM 0 HG22 THR A 35 5.110 6.043 -11.964 1.00 12.05 H new ATOM 0 HG23 THR A 35 6.390 7.122 -12.569 1.00 12.05 H new ATOM 498 N VAL A 36 2.951 10.601 -11.146 1.00 34.05 N ATOM 499 CA VAL A 36 2.002 11.372 -10.350 1.00 63.32 C ATOM 500 C VAL A 36 0.689 10.617 -10.177 1.00 23.45 C ATOM 501 O VAL A 36 -0.007 10.783 -9.176 1.00 24.53 O ATOM 502 CB VAL A 36 1.713 12.741 -10.993 1.00 41.12 C ATOM 503 CG1 VAL A 36 1.039 12.565 -12.345 1.00 62.34 C ATOM 504 CG2 VAL A 36 0.857 13.593 -10.069 1.00 12.23 C ATOM 0 H VAL A 36 3.362 11.114 -11.926 1.00 34.05 H new ATOM 0 HA VAL A 36 2.460 11.527 -9.373 1.00 63.32 H new ATOM 0 HB VAL A 36 2.661 13.256 -11.151 1.00 41.12 H new ATOM 0 HG11 VAL A 36 0.843 13.543 -12.784 1.00 62.34 H new ATOM 0 HG12 VAL A 36 1.692 11.995 -13.006 1.00 62.34 H new ATOM 0 HG13 VAL A 36 0.098 12.030 -12.216 1.00 62.34 H new ATOM 0 HG21 VAL A 36 0.662 14.557 -10.539 1.00 12.23 H new ATOM 0 HG22 VAL A 36 -0.088 13.085 -9.878 1.00 12.23 H new ATOM 0 HG23 VAL A 36 1.382 13.748 -9.127 1.00 12.23 H new ATOM 514 N GLY A 37 0.357 9.785 -11.159 1.00 55.02 N ATOM 515 CA GLY A 37 -0.872 9.016 -11.096 1.00 34.11 C ATOM 516 C GLY A 37 -0.962 8.168 -9.843 1.00 25.52 C ATOM 517 O GLY A 37 -1.833 8.383 -8.999 1.00 23.40 O ATOM 0 H GLY A 37 0.917 9.630 -11.997 1.00 55.02 H new ATOM 0 HA2 GLY A 37 -1.724 9.695 -11.133 1.00 34.11 H new ATOM 0 HA3 GLY A 37 -0.939 8.372 -11.973 1.00 34.11 H new ATOM 521 N LEU A 38 -0.060 7.200 -9.720 1.00 60.45 N ATOM 522 CA LEU A 38 -0.041 6.314 -8.562 1.00 20.25 C ATOM 523 C LEU A 38 0.319 7.083 -7.294 1.00 63.44 C ATOM 524 O LEU A 38 -0.086 6.710 -6.194 1.00 34.24 O ATOM 525 CB LEU A 38 0.956 5.175 -8.782 1.00 23.13 C ATOM 526 CG LEU A 38 0.396 3.909 -9.431 1.00 24.33 C ATOM 527 CD1 LEU A 38 1.456 3.236 -10.290 1.00 54.44 C ATOM 528 CD2 LEU A 38 -0.120 2.948 -8.369 1.00 5.51 C ATOM 0 H LEU A 38 0.668 7.009 -10.409 1.00 60.45 H new ATOM 0 HA LEU A 38 -1.040 5.895 -8.440 1.00 20.25 H new ATOM 0 HB2 LEU A 38 1.771 5.547 -9.403 1.00 23.13 H new ATOM 0 HB3 LEU A 38 1.387 4.905 -7.818 1.00 23.13 H new ATOM 0 HG LEU A 38 -0.438 4.192 -10.073 1.00 24.33 H new ATOM 0 HD11 LEU A 38 1.039 2.337 -10.744 1.00 54.44 H new ATOM 0 HD12 LEU A 38 1.779 3.922 -11.073 1.00 54.44 H new ATOM 0 HD13 LEU A 38 2.310 2.967 -9.669 1.00 54.44 H new ATOM 0 HD21 LEU A 38 -0.515 2.053 -8.849 1.00 5.51 H new ATOM 0 HD22 LEU A 38 0.696 2.672 -7.701 1.00 5.51 H new ATOM 0 HD23 LEU A 38 -0.911 3.431 -7.795 1.00 5.51 H new ATOM 540 N SER A 39 1.082 8.159 -7.458 1.00 61.20 N ATOM 541 CA SER A 39 1.498 8.980 -6.327 1.00 64.21 C ATOM 542 C SER A 39 0.288 9.563 -5.605 1.00 11.44 C ATOM 543 O SER A 39 0.378 9.969 -4.447 1.00 30.13 O ATOM 544 CB SER A 39 2.417 10.108 -6.800 1.00 3.13 C ATOM 545 OG SER A 39 3.771 9.827 -6.489 1.00 41.02 O ATOM 0 H SER A 39 1.424 8.482 -8.363 1.00 61.20 H new ATOM 0 HA SER A 39 2.044 8.345 -5.629 1.00 64.21 H new ATOM 0 HB2 SER A 39 2.308 10.243 -7.876 1.00 3.13 H new ATOM 0 HB3 SER A 39 2.119 11.045 -6.330 1.00 3.13 H new ATOM 0 HG SER A 39 4.215 10.648 -6.189 1.00 41.02 H new ATOM 551 N GLY A 40 -0.846 9.602 -6.299 1.00 3.25 N ATOM 552 CA GLY A 40 -2.059 10.138 -5.708 1.00 64.55 C ATOM 553 C GLY A 40 -2.378 9.507 -4.367 1.00 51.34 C ATOM 554 O GLY A 40 -3.014 10.129 -3.517 1.00 14.33 O ATOM 0 H GLY A 40 -0.946 9.272 -7.259 1.00 3.25 H new ATOM 0 HA2 GLY A 40 -1.953 11.216 -5.583 1.00 64.55 H new ATOM 0 HA3 GLY A 40 -2.894 9.977 -6.390 1.00 64.55 H new ATOM 558 N VAL A 41 -1.937 8.268 -4.178 1.00 30.33 N ATOM 559 CA VAL A 41 -2.180 7.552 -2.931 1.00 11.33 C ATOM 560 C VAL A 41 -1.002 7.700 -1.974 1.00 73.41 C ATOM 561 O VAL A 41 -1.148 7.532 -0.763 1.00 4.30 O ATOM 562 CB VAL A 41 -2.438 6.055 -3.184 1.00 23.02 C ATOM 563 CG1 VAL A 41 -3.592 5.869 -4.157 1.00 30.54 C ATOM 564 CG2 VAL A 41 -1.178 5.378 -3.703 1.00 1.34 C ATOM 0 H VAL A 41 -1.410 7.739 -4.872 1.00 30.33 H new ATOM 0 HA VAL A 41 -3.068 7.994 -2.480 1.00 11.33 H new ATOM 0 HB VAL A 41 -2.712 5.586 -2.239 1.00 23.02 H new ATOM 0 HG11 VAL A 41 -3.760 4.805 -4.324 1.00 30.54 H new ATOM 0 HG12 VAL A 41 -4.494 6.318 -3.741 1.00 30.54 H new ATOM 0 HG13 VAL A 41 -3.350 6.351 -5.104 1.00 30.54 H new ATOM 0 HG21 VAL A 41 -1.378 4.321 -3.876 1.00 1.34 H new ATOM 0 HG22 VAL A 41 -0.871 5.847 -4.638 1.00 1.34 H new ATOM 0 HG23 VAL A 41 -0.380 5.480 -2.967 1.00 1.34 H new ATOM 574 N PHE A 42 0.165 8.014 -2.526 1.00 1.24 N ATOM 575 CA PHE A 42 1.370 8.184 -1.721 1.00 74.14 C ATOM 576 C PHE A 42 1.122 9.152 -0.568 1.00 52.14 C ATOM 577 O PHE A 42 1.558 8.919 0.559 1.00 23.43 O ATOM 578 CB PHE A 42 2.521 8.693 -2.591 1.00 24.42 C ATOM 579 CG PHE A 42 3.876 8.266 -2.101 1.00 12.42 C ATOM 580 CD1 PHE A 42 4.358 6.996 -2.373 1.00 54.24 C ATOM 581 CD2 PHE A 42 4.667 9.136 -1.367 1.00 71.23 C ATOM 582 CE1 PHE A 42 5.604 6.601 -1.924 1.00 74.14 C ATOM 583 CE2 PHE A 42 5.914 8.746 -0.916 1.00 52.31 C ATOM 584 CZ PHE A 42 6.382 7.477 -1.194 1.00 22.12 C ATOM 0 H PHE A 42 0.302 8.156 -3.527 1.00 1.24 H new ATOM 0 HA PHE A 42 1.639 7.213 -1.305 1.00 74.14 H new ATOM 0 HB2 PHE A 42 2.382 8.333 -3.611 1.00 24.42 H new ATOM 0 HB3 PHE A 42 2.483 9.782 -2.629 1.00 24.42 H new ATOM 0 HD1 PHE A 42 3.753 6.306 -2.943 1.00 54.24 H new ATOM 0 HD2 PHE A 42 4.305 10.129 -1.145 1.00 71.23 H new ATOM 0 HE1 PHE A 42 5.968 5.608 -2.144 1.00 74.14 H new ATOM 0 HE2 PHE A 42 6.522 9.433 -0.347 1.00 52.31 H new ATOM 0 HZ PHE A 42 7.355 7.170 -0.841 1.00 22.12 H new ATOM 594 N THR A 43 0.418 10.242 -0.859 1.00 72.23 N ATOM 595 CA THR A 43 0.113 11.247 0.151 1.00 73.10 C ATOM 596 C THR A 43 -0.738 10.660 1.272 1.00 64.34 C ATOM 597 O THR A 43 -0.460 10.873 2.451 1.00 1.33 O ATOM 598 CB THR A 43 -0.626 12.452 -0.461 1.00 10.22 C ATOM 599 OG1 THR A 43 -0.983 12.170 -1.818 1.00 55.04 O ATOM 600 CG2 THR A 43 0.240 13.701 -0.408 1.00 44.54 C ATOM 0 H THR A 43 0.049 10.451 -1.787 1.00 72.23 H new ATOM 0 HA THR A 43 1.066 11.583 0.560 1.00 73.10 H new ATOM 0 HB THR A 43 -1.530 12.631 0.122 1.00 10.22 H new ATOM 0 HG1 THR A 43 -1.454 12.940 -2.199 1.00 55.04 H new ATOM 0 HG21 THR A 43 -0.303 14.539 -0.846 1.00 44.54 H new ATOM 0 HG22 THR A 43 0.486 13.930 0.629 1.00 44.54 H new ATOM 0 HG23 THR A 43 1.159 13.531 -0.969 1.00 44.54 H new ATOM 608 N ALA A 44 -1.774 9.918 0.895 1.00 13.31 N ATOM 609 CA ALA A 44 -2.664 9.298 1.869 1.00 24.32 C ATOM 610 C ALA A 44 -1.936 8.224 2.671 1.00 2.22 C ATOM 611 O ALA A 44 -2.212 8.024 3.854 1.00 13.30 O ATOM 612 CB ALA A 44 -3.879 8.705 1.172 1.00 51.23 C ATOM 0 H ALA A 44 -2.018 9.732 -0.078 1.00 13.31 H new ATOM 0 HA ALA A 44 -2.998 10.070 2.562 1.00 24.32 H new ATOM 0 HB1 ALA A 44 -4.535 8.245 1.912 1.00 51.23 H new ATOM 0 HB2 ALA A 44 -4.419 9.494 0.649 1.00 51.23 H new ATOM 0 HB3 ALA A 44 -3.555 7.950 0.456 1.00 51.23 H new ATOM 618 N VAL A 45 -1.004 7.535 2.020 1.00 75.33 N ATOM 619 CA VAL A 45 -0.236 6.481 2.673 1.00 55.34 C ATOM 620 C VAL A 45 0.613 7.043 3.807 1.00 43.22 C ATOM 621 O VAL A 45 0.716 6.443 4.877 1.00 50.11 O ATOM 622 CB VAL A 45 0.680 5.752 1.672 1.00 53.31 C ATOM 623 CG1 VAL A 45 1.498 4.682 2.378 1.00 12.14 C ATOM 624 CG2 VAL A 45 -0.140 5.149 0.542 1.00 72.34 C ATOM 0 H VAL A 45 -0.762 7.688 1.041 1.00 75.33 H new ATOM 0 HA VAL A 45 -0.955 5.770 3.080 1.00 55.34 H new ATOM 0 HB VAL A 45 1.370 6.478 1.242 1.00 53.31 H new ATOM 0 HG11 VAL A 45 2.139 4.178 1.655 1.00 12.14 H new ATOM 0 HG12 VAL A 45 2.114 5.145 3.149 1.00 12.14 H new ATOM 0 HG13 VAL A 45 0.828 3.955 2.837 1.00 12.14 H new ATOM 0 HG21 VAL A 45 0.523 4.638 -0.156 1.00 72.34 H new ATOM 0 HG22 VAL A 45 -0.855 4.436 0.952 1.00 72.34 H new ATOM 0 HG23 VAL A 45 -0.676 5.941 0.019 1.00 72.34 H new ATOM 634 N LYS A 46 1.222 8.200 3.566 1.00 74.41 N ATOM 635 CA LYS A 46 2.062 8.846 4.567 1.00 62.31 C ATOM 636 C LYS A 46 1.298 9.046 5.872 1.00 50.03 C ATOM 637 O LYS A 46 1.849 8.868 6.958 1.00 55.21 O ATOM 638 CB LYS A 46 2.566 10.194 4.047 1.00 61.35 C ATOM 639 CG LYS A 46 3.895 10.619 4.646 1.00 21.05 C ATOM 640 CD LYS A 46 3.704 11.342 5.969 1.00 51.40 C ATOM 641 CE LYS A 46 3.467 12.830 5.761 1.00 13.41 C ATOM 642 NZ LYS A 46 4.694 13.526 5.284 1.00 53.22 N ATOM 0 H LYS A 46 1.149 8.709 2.685 1.00 74.41 H new ATOM 0 HA LYS A 46 2.915 8.197 4.762 1.00 62.31 H new ATOM 0 HB2 LYS A 46 2.666 10.141 2.963 1.00 61.35 H new ATOM 0 HB3 LYS A 46 1.819 10.959 4.261 1.00 61.35 H new ATOM 0 HG2 LYS A 46 4.524 9.742 4.797 1.00 21.05 H new ATOM 0 HG3 LYS A 46 4.419 11.270 3.946 1.00 21.05 H new ATOM 0 HD2 LYS A 46 2.858 10.909 6.503 1.00 51.40 H new ATOM 0 HD3 LYS A 46 4.584 11.197 6.595 1.00 51.40 H new ATOM 0 HE2 LYS A 46 2.664 12.972 5.037 1.00 13.41 H new ATOM 0 HE3 LYS A 46 3.135 13.279 6.697 1.00 13.41 H new ATOM 0 HZ1 LYS A 46 4.618 14.543 5.488 1.00 53.22 H new ATOM 0 HZ2 LYS A 46 5.526 13.136 5.771 1.00 53.22 H new ATOM 0 HZ3 LYS A 46 4.796 13.386 4.259 1.00 53.22 H new ATOM 656 N ALA A 47 0.027 9.416 5.757 1.00 74.31 N ATOM 657 CA ALA A 47 -0.814 9.636 6.927 1.00 5.44 C ATOM 658 C ALA A 47 -0.984 8.352 7.731 1.00 71.42 C ATOM 659 O ALA A 47 -1.103 8.385 8.955 1.00 3.22 O ATOM 660 CB ALA A 47 -2.170 10.183 6.508 1.00 71.01 C ATOM 0 H ALA A 47 -0.443 9.570 4.865 1.00 74.31 H new ATOM 0 HA ALA A 47 -0.321 10.370 7.565 1.00 5.44 H new ATOM 0 HB1 ALA A 47 -2.787 10.342 7.392 1.00 71.01 H new ATOM 0 HB2 ALA A 47 -2.035 11.130 5.985 1.00 71.01 H new ATOM 0 HB3 ALA A 47 -2.661 9.470 5.846 1.00 71.01 H new ATOM 666 N ALA A 48 -0.996 7.220 7.033 1.00 13.44 N ATOM 667 CA ALA A 48 -1.151 5.924 7.683 1.00 53.55 C ATOM 668 C ALA A 48 -0.064 5.701 8.728 1.00 61.41 C ATOM 669 O ALA A 48 -0.312 5.106 9.778 1.00 40.45 O ATOM 670 CB ALA A 48 -1.128 4.810 6.647 1.00 34.44 C ATOM 0 H ALA A 48 -0.900 7.175 6.019 1.00 13.44 H new ATOM 0 HA ALA A 48 -2.115 5.912 8.192 1.00 53.55 H new ATOM 0 HB1 ALA A 48 -1.245 3.847 7.145 1.00 34.44 H new ATOM 0 HB2 ALA A 48 -1.945 4.954 5.940 1.00 34.44 H new ATOM 0 HB3 ALA A 48 -0.178 4.829 6.113 1.00 34.44 H new ATOM 676 N ILE A 49 1.140 6.179 8.434 1.00 3.21 N ATOM 677 CA ILE A 49 2.265 6.031 9.350 1.00 51.05 C ATOM 678 C ILE A 49 1.942 6.622 10.718 1.00 75.24 C ATOM 679 O ILE A 49 2.031 5.938 11.737 1.00 11.30 O ATOM 680 CB ILE A 49 3.533 6.708 8.797 1.00 23.13 C ATOM 681 CG1 ILE A 49 3.888 6.133 7.424 1.00 20.04 C ATOM 682 CG2 ILE A 49 4.692 6.532 9.767 1.00 44.02 C ATOM 683 CD1 ILE A 49 4.885 6.973 6.657 1.00 73.12 C ATOM 0 H ILE A 49 1.362 6.672 7.569 1.00 3.21 H new ATOM 0 HA ILE A 49 2.449 4.962 9.454 1.00 51.05 H new ATOM 0 HB ILE A 49 3.338 7.774 8.683 1.00 23.13 H new ATOM 0 HG12 ILE A 49 4.294 5.130 7.553 1.00 20.04 H new ATOM 0 HG13 ILE A 49 2.977 6.035 6.833 1.00 20.04 H new ATOM 0 HG21 ILE A 49 5.581 7.016 9.363 1.00 44.02 H new ATOM 0 HG22 ILE A 49 4.437 6.985 10.725 1.00 44.02 H new ATOM 0 HG23 ILE A 49 4.890 5.469 9.909 1.00 44.02 H new ATOM 0 HD11 ILE A 49 5.090 6.506 5.694 1.00 73.12 H new ATOM 0 HD12 ILE A 49 4.474 7.970 6.496 1.00 73.12 H new ATOM 0 HD13 ILE A 49 5.811 7.050 7.227 1.00 73.12 H new ATOM 695 N ALA A 50 1.564 7.896 10.732 1.00 73.14 N ATOM 696 CA ALA A 50 1.223 8.578 11.974 1.00 51.12 C ATOM 697 C ALA A 50 -0.004 7.950 12.627 1.00 64.35 C ATOM 698 O ALA A 50 -0.215 8.082 13.832 1.00 24.33 O ATOM 699 CB ALA A 50 0.985 10.059 11.715 1.00 63.51 C ATOM 0 H ALA A 50 1.486 8.477 9.897 1.00 73.14 H new ATOM 0 HA ALA A 50 2.063 8.470 12.661 1.00 51.12 H new ATOM 0 HB1 ALA A 50 0.731 10.556 12.651 1.00 63.51 H new ATOM 0 HB2 ALA A 50 1.889 10.506 11.300 1.00 63.51 H new ATOM 0 HB3 ALA A 50 0.164 10.177 11.007 1.00 63.51 H new ATOM 705 N LYS A 51 -0.811 7.266 11.823 1.00 50.24 N ATOM 706 CA LYS A 51 -2.017 6.616 12.321 1.00 12.22 C ATOM 707 C LYS A 51 -1.675 5.325 13.057 1.00 62.31 C ATOM 708 O LYS A 51 -1.957 5.185 14.247 1.00 63.24 O ATOM 709 CB LYS A 51 -2.976 6.319 11.166 1.00 62.20 C ATOM 710 CG LYS A 51 -3.965 7.438 10.893 1.00 13.41 C ATOM 711 CD LYS A 51 -5.060 7.484 11.946 1.00 4.43 C ATOM 712 CE LYS A 51 -6.202 6.539 11.605 1.00 4.41 C ATOM 713 NZ LYS A 51 -7.347 6.691 12.545 1.00 4.01 N ATOM 0 H LYS A 51 -0.651 7.148 10.823 1.00 50.24 H new ATOM 0 HA LYS A 51 -2.502 7.295 13.022 1.00 12.22 H new ATOM 0 HB2 LYS A 51 -2.396 6.130 10.263 1.00 62.20 H new ATOM 0 HB3 LYS A 51 -3.527 5.405 11.388 1.00 62.20 H new ATOM 0 HG2 LYS A 51 -3.439 8.392 10.872 1.00 13.41 H new ATOM 0 HG3 LYS A 51 -4.411 7.298 9.908 1.00 13.41 H new ATOM 0 HD2 LYS A 51 -4.643 7.217 12.917 1.00 4.43 H new ATOM 0 HD3 LYS A 51 -5.442 8.501 12.031 1.00 4.43 H new ATOM 0 HE2 LYS A 51 -6.540 6.731 10.587 1.00 4.41 H new ATOM 0 HE3 LYS A 51 -5.843 5.510 11.633 1.00 4.41 H new ATOM 0 HZ1 LYS A 51 -8.105 6.030 12.279 1.00 4.01 H new ATOM 0 HZ2 LYS A 51 -7.031 6.483 13.514 1.00 4.01 H new ATOM 0 HZ3 LYS A 51 -7.706 7.666 12.500 1.00 4.01 H new ATOM 727 N GLN A 52 -1.065 4.385 12.341 1.00 2.35 N ATOM 728 CA GLN A 52 -0.684 3.106 12.928 1.00 24.10 C ATOM 729 C GLN A 52 0.832 2.995 13.054 1.00 22.12 C ATOM 730 O GLN A 52 1.362 2.812 14.149 1.00 22.42 O ATOM 731 CB GLN A 52 -1.223 1.952 12.081 1.00 24.21 C ATOM 732 CG GLN A 52 -2.722 1.744 12.220 1.00 71.21 C ATOM 733 CD GLN A 52 -3.146 1.492 13.653 1.00 11.24 C ATOM 734 OE1 GLN A 52 -3.988 2.207 14.199 1.00 64.04 O ATOM 735 NE2 GLN A 52 -2.564 0.472 14.273 1.00 74.33 N ATOM 0 H GLN A 52 -0.825 4.485 11.355 1.00 2.35 H new ATOM 0 HA GLN A 52 -1.118 3.049 13.926 1.00 24.10 H new ATOM 0 HB2 GLN A 52 -0.986 2.140 11.034 1.00 24.21 H new ATOM 0 HB3 GLN A 52 -0.709 1.033 12.364 1.00 24.21 H new ATOM 0 HG2 GLN A 52 -3.244 2.622 11.840 1.00 71.21 H new ATOM 0 HG3 GLN A 52 -3.027 0.900 11.601 1.00 71.21 H new ATOM 0 HE21 GLN A 52 -1.872 -0.095 13.783 1.00 74.33 H new ATOM 0 HE22 GLN A 52 -2.809 0.255 15.239 1.00 74.33 H new ATOM 744 N GLY A 53 1.525 3.107 11.925 1.00 41.11 N ATOM 745 CA GLY A 53 2.973 3.016 11.931 1.00 5.12 C ATOM 746 C GLY A 53 3.542 2.721 10.557 1.00 32.13 C ATOM 747 O GLY A 53 2.838 2.216 9.683 1.00 75.34 O ATOM 0 H GLY A 53 1.109 3.259 11.006 1.00 41.11 H new ATOM 0 HA2 GLY A 53 3.391 3.952 12.300 1.00 5.12 H new ATOM 0 HA3 GLY A 53 3.282 2.234 12.624 1.00 5.12 H new ATOM 751 N ILE A 54 4.818 3.038 10.366 1.00 31.21 N ATOM 752 CA ILE A 54 5.479 2.804 9.089 1.00 65.35 C ATOM 753 C ILE A 54 5.283 1.365 8.623 1.00 32.11 C ATOM 754 O ILE A 54 5.245 1.088 7.424 1.00 22.21 O ATOM 755 CB ILE A 54 6.988 3.103 9.173 1.00 71.54 C ATOM 756 CG1 ILE A 54 7.625 2.305 10.312 1.00 3.24 C ATOM 757 CG2 ILE A 54 7.223 4.593 9.366 1.00 54.21 C ATOM 758 CD1 ILE A 54 9.114 2.532 10.450 1.00 45.33 C ATOM 0 H ILE A 54 5.414 3.457 11.079 1.00 31.21 H new ATOM 0 HA ILE A 54 5.022 3.482 8.369 1.00 65.35 H new ATOM 0 HB ILE A 54 7.456 2.800 8.236 1.00 71.54 H new ATOM 0 HG12 ILE A 54 7.137 2.572 11.249 1.00 3.24 H new ATOM 0 HG13 ILE A 54 7.441 1.243 10.148 1.00 3.24 H new ATOM 0 HG21 ILE A 54 8.294 4.788 9.423 1.00 54.21 H new ATOM 0 HG22 ILE A 54 6.799 5.140 8.524 1.00 54.21 H new ATOM 0 HG23 ILE A 54 6.745 4.920 10.289 1.00 54.21 H new ATOM 0 HD11 ILE A 54 9.498 1.935 11.277 1.00 45.33 H new ATOM 0 HD12 ILE A 54 9.614 2.238 9.527 1.00 45.33 H new ATOM 0 HD13 ILE A 54 9.305 3.587 10.646 1.00 45.33 H new ATOM 770 N LYS A 55 5.156 0.452 9.580 1.00 70.42 N ATOM 771 CA LYS A 55 4.960 -0.960 9.270 1.00 54.41 C ATOM 772 C LYS A 55 3.767 -1.151 8.339 1.00 34.30 C ATOM 773 O LYS A 55 3.838 -1.906 7.369 1.00 73.20 O ATOM 774 CB LYS A 55 4.750 -1.761 10.557 1.00 60.14 C ATOM 775 CG LYS A 55 3.629 -1.226 11.431 1.00 72.34 C ATOM 776 CD LYS A 55 3.740 -1.740 12.856 1.00 35.03 C ATOM 777 CE LYS A 55 4.753 -0.940 13.660 1.00 42.21 C ATOM 778 NZ LYS A 55 4.166 0.319 14.196 1.00 43.51 N ATOM 0 H LYS A 55 5.185 0.664 10.577 1.00 70.42 H new ATOM 0 HA LYS A 55 5.855 -1.324 8.765 1.00 54.41 H new ATOM 0 HB2 LYS A 55 4.534 -2.798 10.299 1.00 60.14 H new ATOM 0 HB3 LYS A 55 5.677 -1.762 11.130 1.00 60.14 H new ATOM 0 HG2 LYS A 55 3.656 -0.136 11.433 1.00 72.34 H new ATOM 0 HG3 LYS A 55 2.667 -1.520 11.011 1.00 72.34 H new ATOM 0 HD2 LYS A 55 2.765 -1.686 13.340 1.00 35.03 H new ATOM 0 HD3 LYS A 55 4.032 -2.790 12.843 1.00 35.03 H new ATOM 0 HE2 LYS A 55 5.123 -1.548 14.485 1.00 42.21 H new ATOM 0 HE3 LYS A 55 5.610 -0.702 13.030 1.00 42.21 H new ATOM 0 HZ1 LYS A 55 4.745 1.128 13.893 1.00 43.51 H new ATOM 0 HZ2 LYS A 55 3.197 0.432 13.835 1.00 43.51 H new ATOM 0 HZ3 LYS A 55 4.146 0.278 15.235 1.00 43.51 H new ATOM 792 N LYS A 56 2.671 -0.462 8.639 1.00 31.33 N ATOM 793 CA LYS A 56 1.463 -0.554 7.828 1.00 14.14 C ATOM 794 C LYS A 56 1.705 -0.004 6.426 1.00 24.43 C ATOM 795 O LYS A 56 1.129 -0.487 5.452 1.00 63.30 O ATOM 796 CB LYS A 56 0.317 0.210 8.496 1.00 73.13 C ATOM 797 CG LYS A 56 -0.383 -0.578 9.590 1.00 55.44 C ATOM 798 CD LYS A 56 -1.235 -1.697 9.013 1.00 3.34 C ATOM 799 CE LYS A 56 -2.658 -1.233 8.746 1.00 53.34 C ATOM 800 NZ LYS A 56 -3.339 -2.087 7.733 1.00 2.31 N ATOM 0 H LYS A 56 2.595 0.167 9.439 1.00 31.33 H new ATOM 0 HA LYS A 56 1.191 -1.606 7.744 1.00 14.14 H new ATOM 0 HB2 LYS A 56 0.707 1.136 8.919 1.00 73.13 H new ATOM 0 HB3 LYS A 56 -0.414 0.489 7.737 1.00 73.13 H new ATOM 0 HG2 LYS A 56 0.359 -0.998 10.269 1.00 55.44 H new ATOM 0 HG3 LYS A 56 -1.010 0.092 10.178 1.00 55.44 H new ATOM 0 HD2 LYS A 56 -0.788 -2.055 8.086 1.00 3.34 H new ATOM 0 HD3 LYS A 56 -1.250 -2.539 9.705 1.00 3.34 H new ATOM 0 HE2 LYS A 56 -3.226 -1.250 9.676 1.00 53.34 H new ATOM 0 HE3 LYS A 56 -2.644 -0.200 8.400 1.00 53.34 H new ATOM 0 HZ1 LYS A 56 -4.307 -1.738 7.579 1.00 2.31 H new ATOM 0 HZ2 LYS A 56 -2.811 -2.051 6.838 1.00 2.31 H new ATOM 0 HZ3 LYS A 56 -3.375 -3.069 8.074 1.00 2.31 H new ATOM 814 N ALA A 57 2.563 1.007 6.332 1.00 34.22 N ATOM 815 CA ALA A 57 2.884 1.619 5.049 1.00 12.00 C ATOM 816 C ALA A 57 3.589 0.628 4.129 1.00 11.01 C ATOM 817 O ALA A 57 3.426 0.675 2.910 1.00 73.25 O ATOM 818 CB ALA A 57 3.746 2.856 5.255 1.00 33.23 C ATOM 0 H ALA A 57 3.048 1.419 7.129 1.00 34.22 H new ATOM 0 HA ALA A 57 1.950 1.916 4.572 1.00 12.00 H new ATOM 0 HB1 ALA A 57 3.978 3.303 4.288 1.00 33.23 H new ATOM 0 HB2 ALA A 57 3.206 3.578 5.868 1.00 33.23 H new ATOM 0 HB3 ALA A 57 4.672 2.575 5.756 1.00 33.23 H new ATOM 824 N ILE A 58 4.373 -0.267 4.721 1.00 52.21 N ATOM 825 CA ILE A 58 5.102 -1.269 3.954 1.00 40.13 C ATOM 826 C ILE A 58 4.146 -2.211 3.231 1.00 74.30 C ATOM 827 O ILE A 58 4.153 -2.297 2.003 1.00 2.53 O ATOM 828 CB ILE A 58 6.037 -2.097 4.855 1.00 45.34 C ATOM 829 CG1 ILE A 58 7.027 -1.181 5.578 1.00 12.20 C ATOM 830 CG2 ILE A 58 6.778 -3.141 4.032 1.00 11.40 C ATOM 831 CD1 ILE A 58 7.921 -1.910 6.556 1.00 1.12 C ATOM 0 H ILE A 58 4.519 -0.318 5.729 1.00 52.21 H new ATOM 0 HA ILE A 58 5.701 -0.730 3.220 1.00 40.13 H new ATOM 0 HB ILE A 58 5.434 -2.612 5.603 1.00 45.34 H new ATOM 0 HG12 ILE A 58 7.648 -0.675 4.839 1.00 12.20 H new ATOM 0 HG13 ILE A 58 6.472 -0.409 6.111 1.00 12.20 H new ATOM 0 HG21 ILE A 58 7.435 -3.718 4.683 1.00 11.40 H new ATOM 0 HG22 ILE A 58 6.058 -3.809 3.558 1.00 11.40 H new ATOM 0 HG23 ILE A 58 7.372 -2.645 3.265 1.00 11.40 H new ATOM 0 HD11 ILE A 58 8.597 -1.199 7.031 1.00 1.12 H new ATOM 0 HD12 ILE A 58 7.309 -2.394 7.317 1.00 1.12 H new ATOM 0 HD13 ILE A 58 8.503 -2.664 6.025 1.00 1.12 H new ATOM 843 N GLN A 59 3.322 -2.915 4.001 1.00 24.22 N ATOM 844 CA GLN A 59 2.359 -3.851 3.434 1.00 53.34 C ATOM 845 C GLN A 59 1.383 -3.132 2.507 1.00 20.24 C ATOM 846 O GLN A 59 0.828 -3.733 1.586 1.00 4.30 O ATOM 847 CB GLN A 59 1.591 -4.564 4.548 1.00 22.00 C ATOM 848 CG GLN A 59 0.485 -3.721 5.161 1.00 1.52 C ATOM 849 CD GLN A 59 -0.874 -4.013 4.558 1.00 55.24 C ATOM 850 OE1 GLN A 59 -1.215 -3.502 3.490 1.00 15.14 O ATOM 851 NE2 GLN A 59 -1.660 -4.839 5.239 1.00 42.21 N ATOM 0 H GLN A 59 3.302 -2.855 5.019 1.00 24.22 H new ATOM 0 HA GLN A 59 2.909 -4.590 2.851 1.00 53.34 H new ATOM 0 HB2 GLN A 59 1.158 -5.482 4.150 1.00 22.00 H new ATOM 0 HB3 GLN A 59 2.291 -4.855 5.331 1.00 22.00 H new ATOM 0 HG2 GLN A 59 0.448 -3.903 6.235 1.00 1.52 H new ATOM 0 HG3 GLN A 59 0.720 -2.665 5.024 1.00 1.52 H new ATOM 0 HE21 GLN A 59 -1.337 -5.240 6.120 1.00 42.21 H new ATOM 0 HE22 GLN A 59 -2.586 -5.073 4.881 1.00 42.21 H new ATOM 860 N LEU A 60 1.177 -1.844 2.758 1.00 43.12 N ATOM 861 CA LEU A 60 0.268 -1.043 1.946 1.00 14.54 C ATOM 862 C LEU A 60 0.786 -0.909 0.518 1.00 20.01 C ATOM 863 O LEU A 60 0.061 -1.166 -0.443 1.00 10.22 O ATOM 864 CB LEU A 60 0.086 0.344 2.567 1.00 61.22 C ATOM 865 CG LEU A 60 -1.307 0.657 3.114 1.00 50.23 C ATOM 866 CD1 LEU A 60 -2.347 0.566 2.008 1.00 14.31 C ATOM 867 CD2 LEU A 60 -1.656 -0.286 4.256 1.00 52.30 C ATOM 0 H LEU A 60 1.627 -1.332 3.517 1.00 43.12 H new ATOM 0 HA LEU A 60 -0.696 -1.551 1.916 1.00 14.54 H new ATOM 0 HB2 LEU A 60 0.806 0.454 3.378 1.00 61.22 H new ATOM 0 HB3 LEU A 60 0.336 1.092 1.815 1.00 61.22 H new ATOM 0 HG LEU A 60 -1.305 1.677 3.500 1.00 50.23 H new ATOM 0 HD11 LEU A 60 -3.332 0.792 2.416 1.00 14.31 H new ATOM 0 HD12 LEU A 60 -2.106 1.282 1.222 1.00 14.31 H new ATOM 0 HD13 LEU A 60 -2.349 -0.442 1.592 1.00 14.31 H new ATOM 0 HD21 LEU A 60 -2.651 -0.048 4.633 1.00 52.30 H new ATOM 0 HD22 LEU A 60 -1.640 -1.315 3.896 1.00 52.30 H new ATOM 0 HD23 LEU A 60 -0.927 -0.171 5.058 1.00 52.30 H new