USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 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+ 141:sc= -0.0941 (180deg=-0.876) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -165:sc=-0.00754 (180deg=-0.127) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0038 USER MOD Single : A 26 SER OG : rot 140:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00177 USER MOD Single : A 35 THR OG1 : rot -130:sc= -3.94! USER MOD Single : A 39 SER OG : rot 170:sc= -0.145 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.369 0.281 0.066 1.00 32.43 N ATOM 2 CA LEU A 1 2.182 0.363 -1.142 1.00 2.31 C ATOM 3 C LEU A 1 2.173 -0.962 -1.896 1.00 62.43 C ATOM 4 O LEU A 1 1.861 -1.010 -3.086 1.00 43.53 O ATOM 5 CB LEU A 1 3.619 0.752 -0.788 1.00 33.23 C ATOM 6 CG LEU A 1 3.954 2.241 -0.881 1.00 71.23 C ATOM 7 CD1 LEU A 1 2.955 3.064 -0.083 1.00 52.03 C ATOM 8 CD2 LEU A 1 5.372 2.500 -0.393 1.00 72.04 C ATOM 0 H1 LEU A 1 1.837 0.802 0.835 1.00 32.43 H new ATOM 0 HA LEU A 1 1.753 1.129 -1.787 1.00 2.31 H new ATOM 0 HB2 LEU A 1 3.825 0.417 0.228 1.00 33.23 H new ATOM 0 HB3 LEU A 1 4.295 0.206 -1.447 1.00 33.23 H new ATOM 0 HG LEU A 1 3.890 2.544 -1.926 1.00 71.23 H new ATOM 0 HD11 LEU A 1 3.210 4.121 -0.161 1.00 52.03 H new ATOM 0 HD12 LEU A 1 1.952 2.902 -0.478 1.00 52.03 H new ATOM 0 HD13 LEU A 1 2.986 2.760 0.963 1.00 52.03 H new ATOM 0 HD21 LEU A 1 5.593 3.565 -0.466 1.00 72.04 H new ATOM 0 HD22 LEU A 1 5.463 2.181 0.645 1.00 72.04 H new ATOM 0 HD23 LEU A 1 6.076 1.940 -1.008 1.00 72.04 H new ATOM 20 N VAL A 2 2.515 -2.039 -1.195 1.00 44.33 N ATOM 21 CA VAL A 2 2.544 -3.366 -1.798 1.00 35.25 C ATOM 22 C VAL A 2 1.160 -3.775 -2.291 1.00 44.04 C ATOM 23 O VAL A 2 0.997 -4.188 -3.439 1.00 70.10 O ATOM 24 CB VAL A 2 3.054 -4.424 -0.801 1.00 41.10 C ATOM 25 CG1 VAL A 2 3.094 -5.797 -1.454 1.00 24.23 C ATOM 26 CG2 VAL A 2 4.426 -4.036 -0.270 1.00 31.51 C ATOM 0 H VAL A 2 2.776 -2.018 -0.209 1.00 44.33 H new ATOM 0 HA VAL A 2 3.229 -3.315 -2.645 1.00 35.25 H new ATOM 0 HB VAL A 2 2.363 -4.469 0.041 1.00 41.10 H new ATOM 0 HG11 VAL A 2 3.457 -6.531 -0.735 1.00 24.23 H new ATOM 0 HG12 VAL A 2 2.092 -6.074 -1.781 1.00 24.23 H new ATOM 0 HG13 VAL A 2 3.762 -5.771 -2.315 1.00 24.23 H new ATOM 0 HG21 VAL A 2 4.772 -4.794 0.433 1.00 31.51 H new ATOM 0 HG22 VAL A 2 5.130 -3.962 -1.099 1.00 31.51 H new ATOM 0 HG23 VAL A 2 4.361 -3.073 0.237 1.00 31.51 H new ATOM 36 N ALA A 3 0.167 -3.656 -1.417 1.00 32.43 N ATOM 37 CA ALA A 3 -1.204 -4.011 -1.765 1.00 25.15 C ATOM 38 C ALA A 3 -1.746 -3.098 -2.859 1.00 12.15 C ATOM 39 O ALA A 3 -2.602 -3.499 -3.647 1.00 52.05 O ATOM 40 CB ALA A 3 -2.094 -3.949 -0.532 1.00 42.53 C ATOM 0 H ALA A 3 0.286 -3.317 -0.462 1.00 32.43 H new ATOM 0 HA ALA A 3 -1.204 -5.032 -2.148 1.00 25.15 H new ATOM 0 HB1 ALA A 3 -3.115 -4.216 -0.806 1.00 42.53 H new ATOM 0 HB2 ALA A 3 -1.725 -4.648 0.219 1.00 42.53 H new ATOM 0 HB3 ALA A 3 -2.081 -2.938 -0.124 1.00 42.53 H new ATOM 46 N TYR A 4 -1.244 -1.869 -2.900 1.00 1.13 N ATOM 47 CA TYR A 4 -1.681 -0.898 -3.895 1.00 40.45 C ATOM 48 C TYR A 4 -1.106 -1.229 -5.269 1.00 61.21 C ATOM 49 O TYR A 4 -1.834 -1.303 -6.258 1.00 43.02 O ATOM 50 CB TYR A 4 -1.260 0.513 -3.481 1.00 52.41 C ATOM 51 CG TYR A 4 -1.840 1.600 -4.358 1.00 44.23 C ATOM 52 CD1 TYR A 4 -3.136 2.059 -4.165 1.00 15.34 C ATOM 53 CD2 TYR A 4 -1.089 2.169 -5.380 1.00 73.44 C ATOM 54 CE1 TYR A 4 -3.670 3.051 -4.964 1.00 41.42 C ATOM 55 CE2 TYR A 4 -1.614 3.162 -6.184 1.00 50.31 C ATOM 56 CZ TYR A 4 -2.905 3.600 -5.972 1.00 62.14 C ATOM 57 OH TYR A 4 -3.432 4.589 -6.770 1.00 51.41 O ATOM 0 H TYR A 4 -0.534 -1.522 -2.255 1.00 1.13 H new ATOM 0 HA TYR A 4 -2.768 -0.943 -3.955 1.00 40.45 H new ATOM 0 HB2 TYR A 4 -1.568 0.687 -2.450 1.00 52.41 H new ATOM 0 HB3 TYR A 4 -0.172 0.580 -3.505 1.00 52.41 H new ATOM 0 HD1 TYR A 4 -3.737 1.633 -3.376 1.00 15.34 H new ATOM 0 HD2 TYR A 4 -0.078 1.829 -5.548 1.00 73.44 H new ATOM 0 HE1 TYR A 4 -4.681 3.395 -4.801 1.00 41.42 H new ATOM 0 HE2 TYR A 4 -1.017 3.593 -6.974 1.00 50.31 H new ATOM 0 HH TYR A 4 -2.763 4.868 -7.430 1.00 51.41 H new ATOM 67 N GLY A 5 0.208 -1.429 -5.321 1.00 53.11 N ATOM 68 CA GLY A 5 0.860 -1.751 -6.577 1.00 11.11 C ATOM 69 C GLY A 5 2.364 -1.580 -6.509 1.00 45.34 C ATOM 70 O GLY A 5 3.104 -2.243 -7.236 1.00 65.51 O ATOM 0 H GLY A 5 0.832 -1.374 -4.516 1.00 53.11 H new ATOM 0 HA2 GLY A 5 0.626 -2.780 -6.851 1.00 11.11 H new ATOM 0 HA3 GLY A 5 0.460 -1.113 -7.365 1.00 11.11 H new ATOM 74 N ILE A 6 2.818 -0.687 -5.636 1.00 41.55 N ATOM 75 CA ILE A 6 4.244 -0.430 -5.478 1.00 22.10 C ATOM 76 C ILE A 6 4.998 -1.710 -5.131 1.00 54.32 C ATOM 77 O ILE A 6 4.650 -2.409 -4.180 1.00 14.51 O ATOM 78 CB ILE A 6 4.509 0.621 -4.384 1.00 30.23 C ATOM 79 CG1 ILE A 6 3.799 1.933 -4.724 1.00 22.14 C ATOM 80 CG2 ILE A 6 6.004 0.848 -4.219 1.00 2.44 C ATOM 81 CD1 ILE A 6 4.265 2.553 -6.022 1.00 44.30 C ATOM 0 H ILE A 6 2.219 -0.129 -5.027 1.00 41.55 H new ATOM 0 HA ILE A 6 4.603 -0.047 -6.433 1.00 22.10 H new ATOM 0 HB ILE A 6 4.112 0.249 -3.439 1.00 30.23 H new ATOM 0 HG12 ILE A 6 2.726 1.751 -4.782 1.00 22.14 H new ATOM 0 HG13 ILE A 6 3.959 2.644 -3.913 1.00 22.14 H new ATOM 0 HG21 ILE A 6 6.175 1.593 -3.442 1.00 2.44 H new ATOM 0 HG22 ILE A 6 6.485 -0.088 -3.936 1.00 2.44 H new ATOM 0 HG23 ILE A 6 6.424 1.202 -5.160 1.00 2.44 H new ATOM 0 HD11 ILE A 6 3.719 3.480 -6.199 1.00 44.30 H new ATOM 0 HD12 ILE A 6 5.332 2.766 -5.961 1.00 44.30 H new ATOM 0 HD13 ILE A 6 4.080 1.860 -6.843 1.00 44.30 H new ATOM 93 N ALA A 7 6.033 -2.009 -5.909 1.00 20.44 N ATOM 94 CA ALA A 7 6.839 -3.203 -5.682 1.00 14.34 C ATOM 95 C ALA A 7 7.305 -3.283 -4.232 1.00 1.50 C ATOM 96 O ALA A 7 7.794 -2.301 -3.674 1.00 1.15 O ATOM 97 CB ALA A 7 8.033 -3.220 -6.624 1.00 71.51 C ATOM 0 H ALA A 7 6.333 -1.441 -6.702 1.00 20.44 H new ATOM 0 HA ALA A 7 6.218 -4.075 -5.885 1.00 14.34 H new ATOM 0 HB1 ALA A 7 8.626 -4.117 -6.444 1.00 71.51 H new ATOM 0 HB2 ALA A 7 7.682 -3.218 -7.656 1.00 71.51 H new ATOM 0 HB3 ALA A 7 8.648 -2.337 -6.448 1.00 71.51 H new ATOM 103 N GLN A 8 7.150 -4.457 -3.629 1.00 12.20 N ATOM 104 CA GLN A 8 7.554 -4.663 -2.243 1.00 44.24 C ATOM 105 C GLN A 8 9.061 -4.486 -2.084 1.00 12.30 C ATOM 106 O GLN A 8 9.525 -3.861 -1.131 1.00 41.14 O ATOM 107 CB GLN A 8 7.140 -6.058 -1.771 1.00 41.50 C ATOM 108 CG GLN A 8 7.681 -7.180 -2.642 1.00 32.34 C ATOM 109 CD GLN A 8 7.119 -8.536 -2.261 1.00 24.01 C ATOM 110 OE1 GLN A 8 5.906 -8.705 -2.135 1.00 63.40 O ATOM 111 NE2 GLN A 8 8.001 -9.511 -2.075 1.00 63.32 N ATOM 0 H GLN A 8 6.748 -5.280 -4.078 1.00 12.20 H new ATOM 0 HA GLN A 8 7.051 -3.916 -1.629 1.00 44.24 H new ATOM 0 HB2 GLN A 8 7.487 -6.204 -0.748 1.00 41.50 H new ATOM 0 HB3 GLN A 8 6.052 -6.118 -1.751 1.00 41.50 H new ATOM 0 HG2 GLN A 8 7.443 -6.972 -3.685 1.00 32.34 H new ATOM 0 HG3 GLN A 8 8.768 -7.206 -2.562 1.00 32.34 H new ATOM 0 HE21 GLN A 8 8.997 -9.326 -2.190 1.00 63.32 H new ATOM 0 HE22 GLN A 8 7.682 -10.445 -1.817 1.00 63.32 H new ATOM 120 N GLY A 9 9.820 -5.041 -3.024 1.00 11.10 N ATOM 121 CA GLY A 9 11.266 -4.933 -2.969 1.00 21.41 C ATOM 122 C GLY A 9 11.737 -3.497 -2.860 1.00 51.30 C ATOM 123 O GLY A 9 12.570 -3.170 -2.014 1.00 31.13 O ATOM 0 H GLY A 9 9.459 -5.563 -3.822 1.00 11.10 H new ATOM 0 HA2 GLY A 9 11.637 -5.500 -2.115 1.00 21.41 H new ATOM 0 HA3 GLY A 9 11.695 -5.386 -3.863 1.00 21.41 H new ATOM 127 N THR A 10 11.204 -2.634 -3.720 1.00 62.11 N ATOM 128 CA THR A 10 11.577 -1.225 -3.719 1.00 72.11 C ATOM 129 C THR A 10 10.900 -0.478 -2.576 1.00 33.23 C ATOM 130 O THR A 10 11.449 0.483 -2.038 1.00 61.13 O ATOM 131 CB THR A 10 11.207 -0.545 -5.051 1.00 64.41 C ATOM 132 OG1 THR A 10 11.892 -1.185 -6.134 1.00 30.21 O ATOM 133 CG2 THR A 10 11.565 0.933 -5.022 1.00 35.04 C ATOM 0 H THR A 10 10.513 -2.887 -4.426 1.00 62.11 H new ATOM 0 HA THR A 10 12.658 -1.185 -3.586 1.00 72.11 H new ATOM 0 HB THR A 10 10.131 -0.639 -5.195 1.00 64.41 H new ATOM 0 HG1 THR A 10 11.650 -0.748 -6.977 1.00 30.21 H new ATOM 0 HG21 THR A 10 11.295 1.392 -5.973 1.00 35.04 H new ATOM 0 HG22 THR A 10 11.021 1.423 -4.215 1.00 35.04 H new ATOM 0 HG23 THR A 10 12.637 1.045 -4.857 1.00 35.04 H new ATOM 141 N ALA A 11 9.704 -0.927 -2.208 1.00 51.30 N ATOM 142 CA ALA A 11 8.953 -0.302 -1.126 1.00 2.10 C ATOM 143 C ALA A 11 9.809 -0.167 0.129 1.00 34.22 C ATOM 144 O ALA A 11 9.631 0.763 0.915 1.00 34.31 O ATOM 145 CB ALA A 11 7.695 -1.103 -0.826 1.00 14.51 C ATOM 0 H ALA A 11 9.235 -1.721 -2.643 1.00 51.30 H new ATOM 0 HA ALA A 11 8.665 0.699 -1.447 1.00 2.10 H new ATOM 0 HB1 ALA A 11 7.144 -0.625 -0.016 1.00 14.51 H new ATOM 0 HB2 ALA A 11 7.068 -1.144 -1.717 1.00 14.51 H new ATOM 0 HB3 ALA A 11 7.970 -2.115 -0.530 1.00 14.51 H new ATOM 151 N GLU A 12 10.736 -1.102 0.311 1.00 43.12 N ATOM 152 CA GLU A 12 11.618 -1.087 1.472 1.00 12.13 C ATOM 153 C GLU A 12 12.415 0.213 1.534 1.00 60.25 C ATOM 154 O GLU A 12 12.360 0.943 2.524 1.00 60.44 O ATOM 155 CB GLU A 12 12.572 -2.282 1.431 1.00 23.15 C ATOM 156 CG GLU A 12 11.985 -3.551 2.027 1.00 51.23 C ATOM 157 CD GLU A 12 12.800 -4.784 1.691 1.00 23.42 C ATOM 158 OE1 GLU A 12 13.959 -4.628 1.253 1.00 4.42 O ATOM 159 OE2 GLU A 12 12.280 -5.906 1.866 1.00 10.11 O ATOM 0 H GLU A 12 10.896 -1.879 -0.330 1.00 43.12 H new ATOM 0 HA GLU A 12 10.999 -1.156 2.367 1.00 12.13 H new ATOM 0 HB2 GLU A 12 12.856 -2.474 0.396 1.00 23.15 H new ATOM 0 HB3 GLU A 12 13.485 -2.026 1.969 1.00 23.15 H new ATOM 0 HG2 GLU A 12 11.924 -3.445 3.110 1.00 51.23 H new ATOM 0 HG3 GLU A 12 10.967 -3.682 1.661 1.00 51.23 H new ATOM 166 N LYS A 13 13.157 0.496 0.468 1.00 32.40 N ATOM 167 CA LYS A 13 13.966 1.707 0.398 1.00 72.41 C ATOM 168 C LYS A 13 13.082 2.947 0.313 1.00 1.01 C ATOM 169 O LYS A 13 13.427 4.004 0.842 1.00 55.23 O ATOM 170 CB LYS A 13 14.901 1.650 -0.812 1.00 4.32 C ATOM 171 CG LYS A 13 14.178 1.445 -2.131 1.00 72.24 C ATOM 172 CD LYS A 13 15.123 1.583 -3.313 1.00 61.40 C ATOM 173 CE LYS A 13 15.355 3.042 -3.674 1.00 23.22 C ATOM 174 NZ LYS A 13 14.163 3.648 -4.327 1.00 55.24 N ATOM 0 H LYS A 13 13.215 -0.098 -0.360 1.00 32.40 H new ATOM 0 HA LYS A 13 14.563 1.769 1.308 1.00 72.41 H new ATOM 0 HB2 LYS A 13 15.474 2.576 -0.862 1.00 4.32 H new ATOM 0 HB3 LYS A 13 15.616 0.840 -0.670 1.00 4.32 H new ATOM 0 HG2 LYS A 13 13.718 0.457 -2.145 1.00 72.24 H new ATOM 0 HG3 LYS A 13 13.372 2.173 -2.222 1.00 72.24 H new ATOM 0 HD2 LYS A 13 16.076 1.110 -3.075 1.00 61.40 H new ATOM 0 HD3 LYS A 13 14.711 1.055 -4.173 1.00 61.40 H new ATOM 0 HE2 LYS A 13 15.601 3.604 -2.773 1.00 23.22 H new ATOM 0 HE3 LYS A 13 16.213 3.119 -4.342 1.00 23.22 H new ATOM 0 HZ1 LYS A 13 14.434 4.543 -4.782 1.00 55.24 H new ATOM 0 HZ2 LYS A 13 13.790 2.994 -5.045 1.00 55.24 H new ATOM 0 HZ3 LYS A 13 13.431 3.831 -3.612 1.00 55.24 H new ATOM 188 N VAL A 14 11.941 2.810 -0.354 1.00 54.52 N ATOM 189 CA VAL A 14 11.006 3.919 -0.506 1.00 2.43 C ATOM 190 C VAL A 14 10.581 4.469 0.851 1.00 33.23 C ATOM 191 O VAL A 14 10.474 5.681 1.037 1.00 44.22 O ATOM 192 CB VAL A 14 9.752 3.493 -1.291 1.00 13.10 C ATOM 193 CG1 VAL A 14 8.767 4.648 -1.393 1.00 44.24 C ATOM 194 CG2 VAL A 14 10.136 2.985 -2.672 1.00 75.34 C ATOM 0 H VAL A 14 11.641 1.942 -0.798 1.00 54.52 H new ATOM 0 HA VAL A 14 11.527 4.698 -1.064 1.00 2.43 H new ATOM 0 HB VAL A 14 9.266 2.680 -0.752 1.00 13.10 H new ATOM 0 HG11 VAL A 14 7.887 4.328 -1.951 1.00 44.24 H new ATOM 0 HG12 VAL A 14 8.468 4.961 -0.393 1.00 44.24 H new ATOM 0 HG13 VAL A 14 9.239 5.484 -1.909 1.00 44.24 H new ATOM 0 HG21 VAL A 14 9.238 2.688 -3.213 1.00 75.34 H new ATOM 0 HG22 VAL A 14 10.646 3.776 -3.222 1.00 75.34 H new ATOM 0 HG23 VAL A 14 10.800 2.126 -2.572 1.00 75.34 H new ATOM 204 N VAL A 15 10.338 3.568 1.799 1.00 45.34 N ATOM 205 CA VAL A 15 9.926 3.962 3.140 1.00 11.44 C ATOM 206 C VAL A 15 10.940 4.909 3.771 1.00 4.25 C ATOM 207 O VAL A 15 10.572 5.874 4.441 1.00 54.33 O ATOM 208 CB VAL A 15 9.746 2.736 4.055 1.00 2.21 C ATOM 209 CG1 VAL A 15 9.348 3.170 5.458 1.00 72.14 C ATOM 210 CG2 VAL A 15 8.716 1.782 3.470 1.00 12.22 C ATOM 0 H VAL A 15 10.420 2.561 1.662 1.00 45.34 H new ATOM 0 HA VAL A 15 8.969 4.474 3.039 1.00 11.44 H new ATOM 0 HB VAL A 15 10.698 2.210 4.121 1.00 2.21 H new ATOM 0 HG11 VAL A 15 9.225 2.290 6.090 1.00 72.14 H new ATOM 0 HG12 VAL A 15 10.125 3.811 5.875 1.00 72.14 H new ATOM 0 HG13 VAL A 15 8.408 3.720 5.416 1.00 72.14 H new ATOM 0 HG21 VAL A 15 8.601 0.922 4.129 1.00 12.22 H new ATOM 0 HG22 VAL A 15 7.759 2.295 3.373 1.00 12.22 H new ATOM 0 HG23 VAL A 15 9.048 1.445 2.488 1.00 12.22 H new ATOM 220 N SER A 16 12.221 4.627 3.553 1.00 32.23 N ATOM 221 CA SER A 16 13.290 5.452 4.104 1.00 61.55 C ATOM 222 C SER A 16 13.187 6.886 3.594 1.00 70.23 C ATOM 223 O SER A 16 13.449 7.839 4.329 1.00 75.12 O ATOM 224 CB SER A 16 14.655 4.865 3.738 1.00 51.13 C ATOM 225 OG SER A 16 15.705 5.603 4.339 1.00 32.44 O ATOM 0 H SER A 16 12.544 3.834 2.999 1.00 32.23 H new ATOM 0 HA SER A 16 13.186 5.463 5.189 1.00 61.55 H new ATOM 0 HB2 SER A 16 14.706 3.825 4.061 1.00 51.13 H new ATOM 0 HB3 SER A 16 14.777 4.869 2.655 1.00 51.13 H new ATOM 0 HG SER A 16 16.567 5.207 4.091 1.00 32.44 H new ATOM 231 N LEU A 17 12.804 7.031 2.330 1.00 42.50 N ATOM 232 CA LEU A 17 12.666 8.349 1.720 1.00 53.25 C ATOM 233 C LEU A 17 11.552 9.146 2.392 1.00 44.45 C ATOM 234 O LEU A 17 11.671 10.357 2.583 1.00 41.13 O ATOM 235 CB LEU A 17 12.379 8.212 0.223 1.00 12.23 C ATOM 236 CG LEU A 17 13.564 8.452 -0.712 1.00 43.32 C ATOM 237 CD1 LEU A 17 14.751 7.595 -0.300 1.00 42.35 C ATOM 238 CD2 LEU A 17 13.172 8.166 -2.154 1.00 61.14 C ATOM 0 H LEU A 17 12.584 6.253 1.708 1.00 42.50 H new ATOM 0 HA LEU A 17 13.605 8.886 1.856 1.00 53.25 H new ATOM 0 HB2 LEU A 17 11.993 7.210 0.038 1.00 12.23 H new ATOM 0 HB3 LEU A 17 11.587 8.913 -0.040 1.00 12.23 H new ATOM 0 HG LEU A 17 13.855 9.500 -0.637 1.00 43.32 H new ATOM 0 HD11 LEU A 17 15.585 7.779 -0.977 1.00 42.35 H new ATOM 0 HD12 LEU A 17 15.047 7.849 0.718 1.00 42.35 H new ATOM 0 HD13 LEU A 17 14.473 6.542 -0.345 1.00 42.35 H new ATOM 0 HD21 LEU A 17 14.028 8.342 -2.806 1.00 61.14 H new ATOM 0 HD22 LEU A 17 12.854 7.127 -2.245 1.00 61.14 H new ATOM 0 HD23 LEU A 17 12.353 8.823 -2.446 1.00 61.14 H new ATOM 250 N ILE A 18 10.473 8.459 2.749 1.00 11.33 N ATOM 251 CA ILE A 18 9.340 9.103 3.403 1.00 23.01 C ATOM 252 C ILE A 18 9.729 9.634 4.779 1.00 73.11 C ATOM 253 O ILE A 18 9.470 10.792 5.104 1.00 33.43 O ATOM 254 CB ILE A 18 8.153 8.134 3.556 1.00 61.13 C ATOM 255 CG1 ILE A 18 7.844 7.457 2.219 1.00 40.13 C ATOM 256 CG2 ILE A 18 6.930 8.873 4.077 1.00 74.03 C ATOM 257 CD1 ILE A 18 6.686 6.487 2.286 1.00 33.52 C ATOM 0 H ILE A 18 10.359 7.457 2.597 1.00 11.33 H new ATOM 0 HA ILE A 18 9.039 9.935 2.766 1.00 23.01 H new ATOM 0 HB ILE A 18 8.422 7.363 4.278 1.00 61.13 H new ATOM 0 HG12 ILE A 18 7.623 8.223 1.476 1.00 40.13 H new ATOM 0 HG13 ILE A 18 8.732 6.927 1.876 1.00 40.13 H new ATOM 0 HG21 ILE A 18 6.099 8.175 4.180 1.00 74.03 H new ATOM 0 HG22 ILE A 18 7.157 9.313 5.048 1.00 74.03 H new ATOM 0 HG23 ILE A 18 6.656 9.662 3.377 1.00 74.03 H new ATOM 0 HD11 ILE A 18 6.524 6.045 1.303 1.00 33.52 H new ATOM 0 HD12 ILE A 18 6.912 5.700 3.005 1.00 33.52 H new ATOM 0 HD13 ILE A 18 5.786 7.016 2.599 1.00 33.52 H new ATOM 269 N ASN A 19 10.353 8.779 5.582 1.00 24.02 N ATOM 270 CA ASN A 19 10.779 9.162 6.923 1.00 4.34 C ATOM 271 C ASN A 19 11.738 10.348 6.872 1.00 54.44 C ATOM 272 O ASN A 19 11.839 11.120 7.825 1.00 31.42 O ATOM 273 CB ASN A 19 11.451 7.980 7.625 1.00 10.11 C ATOM 274 CG ASN A 19 11.312 8.049 9.134 1.00 64.33 C ATOM 275 OD1 ASN A 19 10.756 9.005 9.674 1.00 20.43 O ATOM 276 ND2 ASN A 19 11.820 7.032 9.821 1.00 12.01 N ATOM 0 H ASN A 19 10.575 7.816 5.328 1.00 24.02 H new ATOM 0 HA ASN A 19 9.894 9.456 7.487 1.00 4.34 H new ATOM 0 HB2 ASN A 19 11.012 7.050 7.265 1.00 10.11 H new ATOM 0 HB3 ASN A 19 12.508 7.957 7.361 1.00 10.11 H new ATOM 0 HD21 ASN A 19 11.758 7.023 10.839 1.00 12.01 H new ATOM 0 HD22 ASN A 19 12.272 6.260 9.330 1.00 12.01 H new ATOM 283 N ALA A 20 12.438 10.488 5.751 1.00 61.32 N ATOM 284 CA ALA A 20 13.386 11.581 5.573 1.00 31.32 C ATOM 285 C ALA A 20 12.673 12.929 5.562 1.00 23.12 C ATOM 286 O ALA A 20 13.289 13.969 5.790 1.00 51.30 O ATOM 287 CB ALA A 20 14.177 11.389 4.288 1.00 43.41 C ATOM 0 H ALA A 20 12.366 9.858 4.952 1.00 61.32 H new ATOM 0 HA ALA A 20 14.077 11.572 6.416 1.00 31.32 H new ATOM 0 HB1 ALA A 20 14.881 12.212 4.168 1.00 43.41 H new ATOM 0 HB2 ALA A 20 14.724 10.447 4.335 1.00 43.41 H new ATOM 0 HB3 ALA A 20 13.493 11.369 3.439 1.00 43.41 H new ATOM 293 N GLY A 21 11.371 12.903 5.295 1.00 60.22 N ATOM 294 CA GLY A 21 10.597 14.129 5.258 1.00 15.52 C ATOM 295 C GLY A 21 10.468 14.692 3.857 1.00 53.24 C ATOM 296 O GLY A 21 10.152 15.870 3.679 1.00 64.43 O ATOM 0 H GLY A 21 10.839 12.054 5.104 1.00 60.22 H new ATOM 0 HA2 GLY A 21 9.603 13.940 5.663 1.00 15.52 H new ATOM 0 HA3 GLY A 21 11.068 14.871 5.903 1.00 15.52 H new ATOM 300 N LEU A 22 10.713 13.851 2.858 1.00 4.03 N ATOM 301 CA LEU A 22 10.625 14.271 1.464 1.00 11.52 C ATOM 302 C LEU A 22 9.174 14.508 1.058 1.00 72.53 C ATOM 303 O LEU A 22 8.251 13.962 1.663 1.00 32.34 O ATOM 304 CB LEU A 22 11.257 13.218 0.552 1.00 0.53 C ATOM 305 CG LEU A 22 12.781 13.261 0.433 1.00 11.33 C ATOM 306 CD1 LEU A 22 13.300 11.994 -0.229 1.00 4.54 C ATOM 307 CD2 LEU A 22 13.221 14.492 -0.347 1.00 34.42 C ATOM 0 H LEU A 22 10.974 12.874 2.988 1.00 4.03 H new ATOM 0 HA LEU A 22 11.171 15.209 1.357 1.00 11.52 H new ATOM 0 HB2 LEU A 22 10.969 12.232 0.915 1.00 0.53 H new ATOM 0 HB3 LEU A 22 10.831 13.328 -0.445 1.00 0.53 H new ATOM 0 HG LEU A 22 13.203 13.322 1.436 1.00 11.33 H new ATOM 0 HD11 LEU A 22 14.386 12.042 -0.305 1.00 4.54 H new ATOM 0 HD12 LEU A 22 13.016 11.128 0.370 1.00 4.54 H new ATOM 0 HD13 LEU A 22 12.870 11.902 -1.226 1.00 4.54 H new ATOM 0 HD21 LEU A 22 14.308 14.506 -0.422 1.00 34.42 H new ATOM 0 HD22 LEU A 22 12.789 14.463 -1.347 1.00 34.42 H new ATOM 0 HD23 LEU A 22 12.881 15.390 0.169 1.00 34.42 H new ATOM 319 N THR A 23 8.979 15.323 0.026 1.00 14.33 N ATOM 320 CA THR A 23 7.640 15.631 -0.462 1.00 44.03 C ATOM 321 C THR A 23 7.149 14.561 -1.431 1.00 44.30 C ATOM 322 O THR A 23 7.938 13.965 -2.165 1.00 33.34 O ATOM 323 CB THR A 23 7.600 17.001 -1.165 1.00 1.22 C ATOM 324 OG1 THR A 23 8.644 17.082 -2.141 1.00 44.02 O ATOM 325 CG2 THR A 23 7.752 18.131 -0.157 1.00 65.32 C ATOM 0 H THR A 23 9.731 15.782 -0.488 1.00 14.33 H new ATOM 0 HA THR A 23 6.984 15.658 0.408 1.00 44.03 H new ATOM 0 HB THR A 23 6.634 17.103 -1.659 1.00 1.22 H new ATOM 0 HG1 THR A 23 8.610 17.955 -2.584 1.00 44.02 H new ATOM 0 HG21 THR A 23 7.721 19.089 -0.677 1.00 65.32 H new ATOM 0 HG22 THR A 23 6.939 18.084 0.567 1.00 65.32 H new ATOM 0 HG23 THR A 23 8.706 18.030 0.361 1.00 65.32 H new ATOM 333 N VAL A 24 5.842 14.323 -1.429 1.00 55.44 N ATOM 334 CA VAL A 24 5.245 13.326 -2.310 1.00 12.30 C ATOM 335 C VAL A 24 5.680 13.539 -3.756 1.00 31.14 C ATOM 336 O VAL A 24 5.922 12.582 -4.489 1.00 64.51 O ATOM 337 CB VAL A 24 3.707 13.362 -2.238 1.00 13.32 C ATOM 338 CG1 VAL A 24 3.190 14.759 -2.546 1.00 41.31 C ATOM 339 CG2 VAL A 24 3.105 12.340 -3.190 1.00 50.13 C ATOM 0 H VAL A 24 5.176 14.807 -0.827 1.00 55.44 H new ATOM 0 HA VAL A 24 5.595 12.352 -1.968 1.00 12.30 H new ATOM 0 HB VAL A 24 3.402 13.104 -1.224 1.00 13.32 H new ATOM 0 HG11 VAL A 24 2.101 14.765 -2.490 1.00 41.31 H new ATOM 0 HG12 VAL A 24 3.594 15.465 -1.820 1.00 41.31 H new ATOM 0 HG13 VAL A 24 3.503 15.050 -3.549 1.00 41.31 H new ATOM 0 HG21 VAL A 24 2.018 12.379 -3.126 1.00 50.13 H new ATOM 0 HG22 VAL A 24 3.417 12.565 -4.210 1.00 50.13 H new ATOM 0 HG23 VAL A 24 3.449 11.342 -2.917 1.00 50.13 H new ATOM 349 N GLY A 25 5.777 14.802 -4.159 1.00 4.20 N ATOM 350 CA GLY A 25 6.184 15.118 -5.516 1.00 11.33 C ATOM 351 C GLY A 25 7.615 14.709 -5.802 1.00 41.54 C ATOM 352 O GLY A 25 7.943 14.317 -6.922 1.00 23.11 O ATOM 0 H GLY A 25 5.581 15.612 -3.571 1.00 4.20 H new ATOM 0 HA2 GLY A 25 5.519 14.615 -6.218 1.00 11.33 H new ATOM 0 HA3 GLY A 25 6.075 16.189 -5.685 1.00 11.33 H new ATOM 356 N SER A 26 8.470 14.803 -4.789 1.00 10.02 N ATOM 357 CA SER A 26 9.876 14.445 -4.939 1.00 35.02 C ATOM 358 C SER A 26 10.028 12.957 -5.237 1.00 61.43 C ATOM 359 O SER A 26 11.001 12.535 -5.864 1.00 32.45 O ATOM 360 CB SER A 26 10.653 14.805 -3.672 1.00 24.14 C ATOM 361 OG SER A 26 12.026 14.480 -3.806 1.00 42.24 O ATOM 0 H SER A 26 8.214 15.124 -3.855 1.00 10.02 H new ATOM 0 HA SER A 26 10.282 15.009 -5.778 1.00 35.02 H new ATOM 0 HB2 SER A 26 10.547 15.870 -3.467 1.00 24.14 H new ATOM 0 HB3 SER A 26 10.232 14.272 -2.819 1.00 24.14 H new ATOM 0 HG SER A 26 12.571 15.188 -3.403 1.00 42.24 H new ATOM 367 N ILE A 27 9.060 12.167 -4.785 1.00 24.34 N ATOM 368 CA ILE A 27 9.086 10.726 -5.004 1.00 32.24 C ATOM 369 C ILE A 27 9.092 10.396 -6.492 1.00 41.14 C ATOM 370 O ILE A 27 9.878 9.567 -6.951 1.00 62.13 O ATOM 371 CB ILE A 27 7.880 10.034 -4.341 1.00 54.31 C ATOM 372 CG1 ILE A 27 7.851 10.337 -2.842 1.00 32.25 C ATOM 373 CG2 ILE A 27 7.931 8.533 -4.583 1.00 51.23 C ATOM 374 CD1 ILE A 27 9.033 9.769 -2.088 1.00 31.23 C ATOM 0 H ILE A 27 8.248 12.500 -4.265 1.00 24.34 H new ATOM 0 HA ILE A 27 10.004 10.354 -4.548 1.00 32.24 H new ATOM 0 HB ILE A 27 6.966 10.423 -4.789 1.00 54.31 H new ATOM 0 HG12 ILE A 27 7.824 11.417 -2.698 1.00 32.25 H new ATOM 0 HG13 ILE A 27 6.932 9.935 -2.416 1.00 32.25 H new ATOM 0 HG21 ILE A 27 7.072 8.059 -4.108 1.00 51.23 H new ATOM 0 HG22 ILE A 27 7.908 8.336 -5.655 1.00 51.23 H new ATOM 0 HG23 ILE A 27 8.850 8.127 -4.160 1.00 51.23 H new ATOM 0 HD11 ILE A 27 8.946 10.022 -1.031 1.00 31.23 H new ATOM 0 HD12 ILE A 27 9.050 8.685 -2.201 1.00 31.23 H new ATOM 0 HD13 ILE A 27 9.956 10.190 -2.488 1.00 31.23 H new ATOM 386 N ILE A 28 8.212 11.052 -7.242 1.00 22.24 N ATOM 387 CA ILE A 28 8.119 10.830 -8.679 1.00 54.42 C ATOM 388 C ILE A 28 9.432 11.170 -9.375 1.00 4.44 C ATOM 389 O ILE A 28 9.868 10.461 -10.281 1.00 44.34 O ATOM 390 CB ILE A 28 6.988 11.668 -9.305 1.00 73.33 C ATOM 391 CG1 ILE A 28 5.647 11.324 -8.653 1.00 24.45 C ATOM 392 CG2 ILE A 28 6.926 11.436 -10.808 1.00 24.33 C ATOM 393 CD1 ILE A 28 4.550 12.317 -8.964 1.00 45.45 C ATOM 0 H ILE A 28 7.554 11.741 -6.878 1.00 22.24 H new ATOM 0 HA ILE A 28 7.899 9.772 -8.821 1.00 54.42 H new ATOM 0 HB ILE A 28 7.197 12.723 -9.127 1.00 73.33 H new ATOM 0 HG12 ILE A 28 5.334 10.334 -8.985 1.00 24.45 H new ATOM 0 HG13 ILE A 28 5.781 11.270 -7.573 1.00 24.45 H new ATOM 0 HG21 ILE A 28 6.122 12.035 -11.236 1.00 24.33 H new ATOM 0 HG22 ILE A 28 7.874 11.726 -11.260 1.00 24.33 H new ATOM 0 HG23 ILE A 28 6.737 10.381 -11.006 1.00 24.33 H new ATOM 0 HD11 ILE A 28 3.629 12.009 -8.469 1.00 45.45 H new ATOM 0 HD12 ILE A 28 4.841 13.305 -8.607 1.00 45.45 H new ATOM 0 HD13 ILE A 28 4.388 12.354 -10.041 1.00 45.45 H new ATOM 405 N SER A 29 10.060 12.259 -8.942 1.00 40.30 N ATOM 406 CA SER A 29 11.324 12.695 -9.524 1.00 50.11 C ATOM 407 C SER A 29 12.417 11.657 -9.288 1.00 41.34 C ATOM 408 O SER A 29 13.319 11.493 -10.110 1.00 64.21 O ATOM 409 CB SER A 29 11.746 14.041 -8.931 1.00 30.32 C ATOM 410 OG SER A 29 10.639 14.918 -8.819 1.00 0.41 O ATOM 0 H SER A 29 9.714 12.855 -8.190 1.00 40.30 H new ATOM 0 HA SER A 29 11.181 12.809 -10.599 1.00 50.11 H new ATOM 0 HB2 SER A 29 12.192 13.885 -7.948 1.00 30.32 H new ATOM 0 HB3 SER A 29 12.512 14.495 -9.560 1.00 30.32 H new ATOM 0 HG SER A 29 10.934 15.770 -8.436 1.00 0.41 H new ATOM 416 N ILE A 30 12.329 10.960 -8.161 1.00 10.23 N ATOM 417 CA ILE A 30 13.309 9.938 -7.817 1.00 21.33 C ATOM 418 C ILE A 30 13.174 8.719 -8.723 1.00 53.24 C ATOM 419 O ILE A 30 14.105 8.364 -9.447 1.00 73.34 O ATOM 420 CB ILE A 30 13.165 9.491 -6.350 1.00 21.31 C ATOM 421 CG1 ILE A 30 13.368 10.680 -5.409 1.00 51.22 C ATOM 422 CG2 ILE A 30 14.159 8.383 -6.034 1.00 30.02 C ATOM 423 CD1 ILE A 30 12.542 10.598 -4.144 1.00 64.23 C ATOM 0 H ILE A 30 11.589 11.084 -7.470 1.00 10.23 H new ATOM 0 HA ILE A 30 14.293 10.385 -7.958 1.00 21.33 H new ATOM 0 HB ILE A 30 12.158 9.102 -6.201 1.00 21.31 H new ATOM 0 HG12 ILE A 30 14.423 10.745 -5.141 1.00 51.22 H new ATOM 0 HG13 ILE A 30 13.117 11.599 -5.938 1.00 51.22 H new ATOM 0 HG21 ILE A 30 14.045 8.078 -4.994 1.00 30.02 H new ATOM 0 HG22 ILE A 30 13.971 7.529 -6.685 1.00 30.02 H new ATOM 0 HG23 ILE A 30 15.173 8.747 -6.196 1.00 30.02 H new ATOM 0 HD11 ILE A 30 12.737 11.474 -3.525 1.00 64.23 H new ATOM 0 HD12 ILE A 30 11.484 10.564 -4.402 1.00 64.23 H new ATOM 0 HD13 ILE A 30 12.810 9.697 -3.592 1.00 64.23 H new ATOM 435 N LEU A 31 12.008 8.083 -8.680 1.00 42.44 N ATOM 436 CA LEU A 31 11.749 6.905 -9.500 1.00 31.42 C ATOM 437 C LEU A 31 11.860 7.238 -10.984 1.00 51.11 C ATOM 438 O LEU A 31 12.428 6.473 -11.762 1.00 72.30 O ATOM 439 CB LEU A 31 10.360 6.342 -9.194 1.00 54.32 C ATOM 440 CG LEU A 31 10.262 5.415 -7.982 1.00 44.02 C ATOM 441 CD1 LEU A 31 8.872 5.481 -7.369 1.00 42.44 C ATOM 442 CD2 LEU A 31 10.606 3.986 -8.375 1.00 64.33 C ATOM 0 H LEU A 31 11.228 8.363 -8.086 1.00 42.44 H new ATOM 0 HA LEU A 31 12.500 6.153 -9.259 1.00 31.42 H new ATOM 0 HB2 LEU A 31 9.677 7.178 -9.043 1.00 54.32 H new ATOM 0 HB3 LEU A 31 10.009 5.798 -10.071 1.00 54.32 H new ATOM 0 HG LEU A 31 10.982 5.749 -7.235 1.00 44.02 H new ATOM 0 HD11 LEU A 31 8.822 4.815 -6.508 1.00 42.44 H new ATOM 0 HD12 LEU A 31 8.663 6.502 -7.050 1.00 42.44 H new ATOM 0 HD13 LEU A 31 8.133 5.174 -8.109 1.00 42.44 H new ATOM 0 HD21 LEU A 31 10.531 3.340 -7.500 1.00 64.33 H new ATOM 0 HD22 LEU A 31 9.911 3.642 -9.141 1.00 64.33 H new ATOM 0 HD23 LEU A 31 11.623 3.951 -8.766 1.00 64.33 H new ATOM 454 N GLY A 32 11.315 8.388 -11.370 1.00 34.14 N ATOM 455 CA GLY A 32 11.365 8.804 -12.759 1.00 71.20 C ATOM 456 C GLY A 32 10.868 7.728 -13.705 1.00 1.25 C ATOM 457 O GLY A 32 11.369 7.593 -14.820 1.00 20.30 O ATOM 0 H GLY A 32 10.840 9.039 -10.745 1.00 34.14 H new ATOM 0 HA2 GLY A 32 10.762 9.703 -12.888 1.00 71.20 H new ATOM 0 HA3 GLY A 32 12.390 9.067 -13.020 1.00 71.20 H new ATOM 461 N GLY A 33 9.880 6.959 -13.257 1.00 41.00 N ATOM 462 CA GLY A 33 9.333 5.898 -14.083 1.00 43.50 C ATOM 463 C GLY A 33 7.824 5.977 -14.204 1.00 3.22 C ATOM 464 O GLY A 33 7.114 5.053 -13.809 1.00 75.22 O ATOM 0 H GLY A 33 9.449 7.052 -12.337 1.00 41.00 H new ATOM 0 HA2 GLY A 33 9.777 5.950 -15.077 1.00 43.50 H new ATOM 0 HA3 GLY A 33 9.610 4.933 -13.660 1.00 43.50 H new ATOM 468 N VAL A 34 7.333 7.085 -14.750 1.00 12.14 N ATOM 469 CA VAL A 34 5.898 7.282 -14.921 1.00 23.32 C ATOM 470 C VAL A 34 5.145 6.985 -13.629 1.00 70.21 C ATOM 471 O VAL A 34 4.236 6.155 -13.604 1.00 32.55 O ATOM 472 CB VAL A 34 5.340 6.389 -16.045 1.00 34.13 C ATOM 473 CG1 VAL A 34 3.920 6.803 -16.400 1.00 51.21 C ATOM 474 CG2 VAL A 34 6.242 6.446 -17.268 1.00 23.51 C ATOM 0 H VAL A 34 7.908 7.860 -15.081 1.00 12.14 H new ATOM 0 HA VAL A 34 5.751 8.328 -15.191 1.00 23.32 H new ATOM 0 HB VAL A 34 5.315 5.359 -15.689 1.00 34.13 H new ATOM 0 HG11 VAL A 34 3.542 6.161 -17.196 1.00 51.21 H new ATOM 0 HG12 VAL A 34 3.282 6.706 -15.521 1.00 51.21 H new ATOM 0 HG13 VAL A 34 3.917 7.839 -16.737 1.00 51.21 H new ATOM 0 HG21 VAL A 34 5.832 5.809 -18.052 1.00 23.51 H new ATOM 0 HG22 VAL A 34 6.302 7.473 -17.629 1.00 23.51 H new ATOM 0 HG23 VAL A 34 7.239 6.097 -17.001 1.00 23.51 H new ATOM 484 N THR A 35 5.529 7.669 -12.556 1.00 14.51 N ATOM 485 CA THR A 35 4.890 7.479 -11.260 1.00 3.34 C ATOM 486 C THR A 35 3.664 8.373 -11.114 1.00 40.11 C ATOM 487 O THR A 35 3.067 8.456 -10.040 1.00 64.34 O ATOM 488 CB THR A 35 5.866 7.774 -10.104 1.00 71.45 C ATOM 489 OG1 THR A 35 6.973 8.545 -10.583 1.00 1.51 O ATOM 490 CG2 THR A 35 6.373 6.482 -9.482 1.00 63.51 C ATOM 0 H THR A 35 6.280 8.360 -12.559 1.00 14.51 H new ATOM 0 HA THR A 35 4.583 6.434 -11.210 1.00 3.34 H new ATOM 0 HB THR A 35 5.332 8.341 -9.342 1.00 71.45 H new ATOM 0 HG1 THR A 35 7.811 8.131 -10.290 1.00 1.51 H new ATOM 0 HG21 THR A 35 7.060 6.715 -8.669 1.00 63.51 H new ATOM 0 HG22 THR A 35 5.530 5.910 -9.093 1.00 63.51 H new ATOM 0 HG23 THR A 35 6.892 5.893 -10.238 1.00 63.51 H new ATOM 498 N VAL A 36 3.292 9.041 -12.201 1.00 72.15 N ATOM 499 CA VAL A 36 2.135 9.928 -12.195 1.00 74.22 C ATOM 500 C VAL A 36 0.884 9.196 -11.722 1.00 72.22 C ATOM 501 O VAL A 36 0.256 8.462 -12.484 1.00 73.11 O ATOM 502 CB VAL A 36 1.873 10.518 -13.593 1.00 55.54 C ATOM 503 CG1 VAL A 36 2.884 11.610 -13.910 1.00 73.33 C ATOM 504 CG2 VAL A 36 1.909 9.424 -14.649 1.00 74.21 C ATOM 0 H VAL A 36 3.775 8.985 -13.097 1.00 72.15 H new ATOM 0 HA VAL A 36 2.362 10.739 -11.503 1.00 74.22 H new ATOM 0 HB VAL A 36 0.878 10.964 -13.599 1.00 55.54 H new ATOM 0 HG11 VAL A 36 2.683 12.015 -14.902 1.00 73.33 H new ATOM 0 HG12 VAL A 36 2.804 12.406 -13.170 1.00 73.33 H new ATOM 0 HG13 VAL A 36 3.890 11.192 -13.886 1.00 73.33 H new ATOM 0 HG21 VAL A 36 1.722 9.859 -15.631 1.00 74.21 H new ATOM 0 HG22 VAL A 36 2.889 8.946 -14.645 1.00 74.21 H new ATOM 0 HG23 VAL A 36 1.142 8.681 -14.429 1.00 74.21 H new ATOM 514 N GLY A 37 0.527 9.401 -10.458 1.00 13.31 N ATOM 515 CA GLY A 37 -0.648 8.754 -9.904 1.00 54.24 C ATOM 516 C GLY A 37 -0.427 8.265 -8.487 1.00 14.43 C ATOM 517 O GLY A 37 -1.294 8.423 -7.625 1.00 42.14 O ATOM 0 H GLY A 37 1.031 10.004 -9.807 1.00 13.31 H new ATOM 0 HA2 GLY A 37 -1.484 9.453 -9.917 1.00 54.24 H new ATOM 0 HA3 GLY A 37 -0.927 7.911 -10.536 1.00 54.24 H new ATOM 521 N LEU A 38 0.734 7.669 -8.243 1.00 22.13 N ATOM 522 CA LEU A 38 1.066 7.153 -6.919 1.00 44.30 C ATOM 523 C LEU A 38 1.205 8.290 -5.911 1.00 63.31 C ATOM 524 O LEU A 38 1.162 8.068 -4.701 1.00 40.20 O ATOM 525 CB LEU A 38 2.364 6.345 -6.976 1.00 11.23 C ATOM 526 CG LEU A 38 2.223 4.876 -7.375 1.00 33.10 C ATOM 527 CD1 LEU A 38 1.479 4.100 -6.299 1.00 72.34 C ATOM 528 CD2 LEU A 38 1.509 4.753 -8.714 1.00 5.24 C ATOM 0 H LEU A 38 1.462 7.531 -8.944 1.00 22.13 H new ATOM 0 HA LEU A 38 0.254 6.502 -6.595 1.00 44.30 H new ATOM 0 HB2 LEU A 38 3.039 6.829 -7.682 1.00 11.23 H new ATOM 0 HB3 LEU A 38 2.840 6.391 -5.997 1.00 11.23 H new ATOM 0 HG LEU A 38 3.221 4.450 -7.477 1.00 33.10 H new ATOM 0 HD11 LEU A 38 1.388 3.056 -6.600 1.00 72.34 H new ATOM 0 HD12 LEU A 38 2.030 4.160 -5.360 1.00 72.34 H new ATOM 0 HD13 LEU A 38 0.485 4.527 -6.164 1.00 72.34 H new ATOM 0 HD21 LEU A 38 1.418 3.700 -8.982 1.00 5.24 H new ATOM 0 HD22 LEU A 38 0.516 5.196 -8.639 1.00 5.24 H new ATOM 0 HD23 LEU A 38 2.082 5.274 -9.481 1.00 5.24 H new ATOM 540 N SER A 39 1.370 9.507 -6.419 1.00 2.14 N ATOM 541 CA SER A 39 1.517 10.679 -5.563 1.00 32.43 C ATOM 542 C SER A 39 0.203 11.006 -4.861 1.00 14.35 C ATOM 543 O SER A 39 0.190 11.406 -3.697 1.00 22.51 O ATOM 544 CB SER A 39 1.983 11.882 -6.385 1.00 32.23 C ATOM 545 OG SER A 39 1.346 11.912 -7.650 1.00 44.05 O ATOM 0 H SER A 39 1.405 9.707 -7.418 1.00 2.14 H new ATOM 0 HA SER A 39 2.268 10.454 -4.805 1.00 32.43 H new ATOM 0 HB2 SER A 39 1.766 12.803 -5.843 1.00 32.23 H new ATOM 0 HB3 SER A 39 3.064 11.838 -6.519 1.00 32.23 H new ATOM 0 HG SER A 39 1.533 12.767 -8.090 1.00 44.05 H new ATOM 551 N GLY A 40 -0.904 10.834 -5.578 1.00 44.20 N ATOM 552 CA GLY A 40 -2.208 11.116 -5.009 1.00 14.03 C ATOM 553 C GLY A 40 -2.579 10.150 -3.901 1.00 24.20 C ATOM 554 O GLY A 40 -3.458 10.434 -3.088 1.00 20.24 O ATOM 0 H GLY A 40 -0.920 10.504 -6.543 1.00 44.20 H new ATOM 0 HA2 GLY A 40 -2.218 12.133 -4.618 1.00 14.03 H new ATOM 0 HA3 GLY A 40 -2.962 11.069 -5.795 1.00 14.03 H new ATOM 558 N VAL A 41 -1.907 9.003 -3.869 1.00 73.12 N ATOM 559 CA VAL A 41 -2.171 7.991 -2.853 1.00 62.34 C ATOM 560 C VAL A 41 -1.068 7.968 -1.801 1.00 64.34 C ATOM 561 O VAL A 41 -1.286 7.543 -0.667 1.00 22.23 O ATOM 562 CB VAL A 41 -2.299 6.589 -3.478 1.00 64.31 C ATOM 563 CG1 VAL A 41 -1.061 6.253 -4.296 1.00 4.23 C ATOM 564 CG2 VAL A 41 -2.533 5.544 -2.398 1.00 33.13 C ATOM 0 H VAL A 41 -1.176 8.752 -4.535 1.00 73.12 H new ATOM 0 HA VAL A 41 -3.116 8.257 -2.379 1.00 62.34 H new ATOM 0 HB VAL A 41 -3.159 6.586 -4.147 1.00 64.31 H new ATOM 0 HG11 VAL A 41 -1.170 5.259 -4.729 1.00 4.23 H new ATOM 0 HG12 VAL A 41 -0.942 6.986 -5.094 1.00 4.23 H new ATOM 0 HG13 VAL A 41 -0.182 6.273 -3.651 1.00 4.23 H new ATOM 0 HG21 VAL A 41 -2.621 4.559 -2.857 1.00 33.13 H new ATOM 0 HG22 VAL A 41 -1.694 5.546 -1.702 1.00 33.13 H new ATOM 0 HG23 VAL A 41 -3.452 5.777 -1.860 1.00 33.13 H new ATOM 574 N PHE A 42 0.118 8.428 -2.186 1.00 4.15 N ATOM 575 CA PHE A 42 1.257 8.460 -1.275 1.00 43.24 C ATOM 576 C PHE A 42 0.894 9.169 0.026 1.00 34.42 C ATOM 577 O PHE A 42 1.118 8.643 1.117 1.00 3.11 O ATOM 578 CB PHE A 42 2.446 9.162 -1.936 1.00 73.22 C ATOM 579 CG PHE A 42 3.778 8.634 -1.488 1.00 64.20 C ATOM 580 CD1 PHE A 42 4.195 7.364 -1.856 1.00 13.43 C ATOM 581 CD2 PHE A 42 4.615 9.407 -0.700 1.00 22.04 C ATOM 582 CE1 PHE A 42 5.420 6.876 -1.444 1.00 23.10 C ATOM 583 CE2 PHE A 42 5.842 8.924 -0.285 1.00 62.01 C ATOM 584 CZ PHE A 42 6.246 7.657 -0.659 1.00 14.12 C ATOM 0 H PHE A 42 0.316 8.783 -3.121 1.00 4.15 H new ATOM 0 HA PHE A 42 1.533 7.431 -1.043 1.00 43.24 H new ATOM 0 HB2 PHE A 42 2.366 9.054 -3.018 1.00 73.22 H new ATOM 0 HB3 PHE A 42 2.395 10.229 -1.718 1.00 73.22 H new ATOM 0 HD1 PHE A 42 3.555 6.749 -2.472 1.00 13.43 H new ATOM 0 HD2 PHE A 42 4.305 10.399 -0.406 1.00 22.04 H new ATOM 0 HE1 PHE A 42 5.732 5.884 -1.736 1.00 23.10 H new ATOM 0 HE2 PHE A 42 6.484 9.536 0.331 1.00 62.01 H new ATOM 0 HZ PHE A 42 7.205 7.278 -0.339 1.00 14.12 H new ATOM 594 N THR A 43 0.330 10.366 -0.096 1.00 41.53 N ATOM 595 CA THR A 43 -0.064 11.149 1.069 1.00 65.24 C ATOM 596 C THR A 43 -0.976 10.345 1.988 1.00 52.12 C ATOM 597 O THR A 43 -0.821 10.370 3.208 1.00 31.03 O ATOM 598 CB THR A 43 -0.783 12.447 0.657 1.00 71.14 C ATOM 599 OG1 THR A 43 -0.258 12.924 -0.587 1.00 53.32 O ATOM 600 CG2 THR A 43 -0.622 13.518 1.725 1.00 20.52 C ATOM 0 H THR A 43 0.135 10.815 -0.991 1.00 41.53 H new ATOM 0 HA THR A 43 0.851 11.404 1.603 1.00 65.24 H new ATOM 0 HB THR A 43 -1.845 12.227 0.543 1.00 71.14 H new ATOM 0 HG1 THR A 43 -0.722 13.749 -0.843 1.00 53.32 H new ATOM 0 HG21 THR A 43 -1.138 14.425 1.411 1.00 20.52 H new ATOM 0 HG22 THR A 43 -1.049 13.163 2.663 1.00 20.52 H new ATOM 0 HG23 THR A 43 0.437 13.734 1.867 1.00 20.52 H new ATOM 608 N ALA A 44 -1.928 9.632 1.394 1.00 45.34 N ATOM 609 CA ALA A 44 -2.863 8.819 2.160 1.00 75.34 C ATOM 610 C ALA A 44 -2.131 7.751 2.965 1.00 0.13 C ATOM 611 O ALA A 44 -2.446 7.514 4.131 1.00 32.34 O ATOM 612 CB ALA A 44 -3.885 8.175 1.233 1.00 4.50 C ATOM 0 H ALA A 44 -2.071 9.602 0.385 1.00 45.34 H new ATOM 0 HA ALA A 44 -3.384 9.472 2.861 1.00 75.34 H new ATOM 0 HB1 ALA A 44 -4.577 7.570 1.819 1.00 4.50 H new ATOM 0 HB2 ALA A 44 -4.438 8.952 0.706 1.00 4.50 H new ATOM 0 HB3 ALA A 44 -3.372 7.541 0.510 1.00 4.50 H new ATOM 618 N VAL A 45 -1.152 7.109 2.336 1.00 60.12 N ATOM 619 CA VAL A 45 -0.374 6.066 2.994 1.00 12.45 C ATOM 620 C VAL A 45 0.548 6.656 4.055 1.00 2.23 C ATOM 621 O VAL A 45 0.706 6.094 5.139 1.00 15.35 O ATOM 622 CB VAL A 45 0.470 5.271 1.981 1.00 33.20 C ATOM 623 CG1 VAL A 45 1.287 4.201 2.689 1.00 33.04 C ATOM 624 CG2 VAL A 45 -0.422 4.653 0.914 1.00 2.23 C ATOM 0 H VAL A 45 -0.879 7.293 1.371 1.00 60.12 H new ATOM 0 HA VAL A 45 -1.087 5.392 3.469 1.00 12.45 H new ATOM 0 HB VAL A 45 1.161 5.958 1.492 1.00 33.20 H new ATOM 0 HG11 VAL A 45 1.877 3.650 1.957 1.00 33.04 H new ATOM 0 HG12 VAL A 45 1.953 4.671 3.412 1.00 33.04 H new ATOM 0 HG13 VAL A 45 0.617 3.514 3.206 1.00 33.04 H new ATOM 0 HG21 VAL A 45 0.191 4.095 0.206 1.00 2.23 H new ATOM 0 HG22 VAL A 45 -1.138 3.979 1.384 1.00 2.23 H new ATOM 0 HG23 VAL A 45 -0.958 5.442 0.386 1.00 2.23 H new ATOM 634 N LYS A 46 1.157 7.794 3.736 1.00 34.42 N ATOM 635 CA LYS A 46 2.063 8.463 4.662 1.00 60.23 C ATOM 636 C LYS A 46 1.386 8.705 6.007 1.00 52.32 C ATOM 637 O LYS A 46 1.911 8.328 7.054 1.00 43.23 O ATOM 638 CB LYS A 46 2.538 9.792 4.071 1.00 42.11 C ATOM 639 CG LYS A 46 3.548 10.518 4.942 1.00 4.40 C ATOM 640 CD LYS A 46 3.784 11.939 4.457 1.00 61.14 C ATOM 641 CE LYS A 46 4.365 12.814 5.556 1.00 3.42 C ATOM 642 NZ LYS A 46 5.839 12.643 5.681 1.00 22.42 N ATOM 0 H LYS A 46 1.039 8.272 2.843 1.00 34.42 H new ATOM 0 HA LYS A 46 2.924 7.814 4.821 1.00 60.23 H new ATOM 0 HB2 LYS A 46 2.981 9.607 3.092 1.00 42.11 H new ATOM 0 HB3 LYS A 46 1.675 10.439 3.913 1.00 42.11 H new ATOM 0 HG2 LYS A 46 3.193 10.539 5.972 1.00 4.40 H new ATOM 0 HG3 LYS A 46 4.491 9.971 4.941 1.00 4.40 H new ATOM 0 HD2 LYS A 46 4.463 11.925 3.604 1.00 61.14 H new ATOM 0 HD3 LYS A 46 2.844 12.367 4.109 1.00 61.14 H new ATOM 0 HE2 LYS A 46 4.137 13.859 5.346 1.00 3.42 H new ATOM 0 HE3 LYS A 46 3.889 12.568 6.505 1.00 3.42 H new ATOM 0 HZ1 LYS A 46 6.196 13.257 6.441 1.00 22.42 H new ATOM 0 HZ2 LYS A 46 6.056 11.651 5.906 1.00 22.42 H new ATOM 0 HZ3 LYS A 46 6.296 12.902 4.783 1.00 22.42 H new ATOM 656 N ALA A 47 0.216 9.336 5.970 1.00 24.33 N ATOM 657 CA ALA A 47 -0.534 9.625 7.186 1.00 22.11 C ATOM 658 C ALA A 47 -0.906 8.341 7.920 1.00 54.03 C ATOM 659 O ALA A 47 -1.027 8.327 9.144 1.00 3.33 O ATOM 660 CB ALA A 47 -1.783 10.428 6.857 1.00 51.52 C ATOM 0 H ALA A 47 -0.232 9.656 5.112 1.00 24.33 H new ATOM 0 HA ALA A 47 0.102 10.217 7.844 1.00 22.11 H new ATOM 0 HB1 ALA A 47 -2.333 10.637 7.774 1.00 51.52 H new ATOM 0 HB2 ALA A 47 -1.497 11.367 6.383 1.00 51.52 H new ATOM 0 HB3 ALA A 47 -2.415 9.856 6.177 1.00 51.52 H new ATOM 666 N ALA A 48 -1.089 7.264 7.163 1.00 43.04 N ATOM 667 CA ALA A 48 -1.446 5.975 7.742 1.00 54.05 C ATOM 668 C ALA A 48 -0.402 5.520 8.755 1.00 34.25 C ATOM 669 O ALA A 48 -0.715 4.790 9.697 1.00 42.12 O ATOM 670 CB ALA A 48 -1.611 4.932 6.646 1.00 31.01 C ATOM 0 H ALA A 48 -0.996 7.259 6.147 1.00 43.04 H new ATOM 0 HA ALA A 48 -2.395 6.090 8.265 1.00 54.05 H new ATOM 0 HB1 ALA A 48 -1.878 3.974 7.093 1.00 31.01 H new ATOM 0 HB2 ALA A 48 -2.399 5.245 5.961 1.00 31.01 H new ATOM 0 HB3 ALA A 48 -0.674 4.829 6.098 1.00 31.01 H new ATOM 676 N ILE A 49 0.837 5.954 8.557 1.00 44.23 N ATOM 677 CA ILE A 49 1.927 5.591 9.454 1.00 12.15 C ATOM 678 C ILE A 49 1.609 5.986 10.893 1.00 51.35 C ATOM 679 O ILE A 49 1.629 5.151 11.796 1.00 62.44 O ATOM 680 CB ILE A 49 3.250 6.256 9.032 1.00 61.12 C ATOM 681 CG1 ILE A 49 3.615 5.852 7.602 1.00 40.22 C ATOM 682 CG2 ILE A 49 4.365 5.877 9.996 1.00 54.34 C ATOM 683 CD1 ILE A 49 4.897 6.483 7.104 1.00 32.23 C ATOM 0 H ILE A 49 1.112 6.558 7.783 1.00 44.23 H new ATOM 0 HA ILE A 49 2.039 4.509 9.392 1.00 12.15 H new ATOM 0 HB ILE A 49 3.122 7.338 9.063 1.00 61.12 H new ATOM 0 HG12 ILE A 49 3.710 4.767 7.553 1.00 40.22 H new ATOM 0 HG13 ILE A 49 2.799 6.131 6.935 1.00 40.22 H new ATOM 0 HG21 ILE A 49 5.294 6.355 9.684 1.00 54.34 H new ATOM 0 HG22 ILE A 49 4.106 6.209 11.001 1.00 54.34 H new ATOM 0 HG23 ILE A 49 4.495 4.795 9.994 1.00 54.34 H new ATOM 0 HD11 ILE A 49 5.093 6.152 6.084 1.00 32.23 H new ATOM 0 HD12 ILE A 49 4.799 7.568 7.121 1.00 32.23 H new ATOM 0 HD13 ILE A 49 5.724 6.184 7.748 1.00 32.23 H new ATOM 695 N ALA A 50 1.314 7.266 11.097 1.00 34.22 N ATOM 696 CA ALA A 50 0.987 7.772 12.425 1.00 63.42 C ATOM 697 C ALA A 50 -0.312 7.162 12.940 1.00 13.51 C ATOM 698 O ALA A 50 -0.542 7.093 14.148 1.00 43.12 O ATOM 699 CB ALA A 50 0.888 9.290 12.402 1.00 61.35 C ATOM 0 H ALA A 50 1.295 7.971 10.360 1.00 34.22 H new ATOM 0 HA ALA A 50 1.788 7.482 13.105 1.00 63.42 H new ATOM 0 HB1 ALA A 50 0.643 9.654 13.400 1.00 61.35 H new ATOM 0 HB2 ALA A 50 1.842 9.712 12.086 1.00 61.35 H new ATOM 0 HB3 ALA A 50 0.108 9.593 11.704 1.00 61.35 H new ATOM 705 N LYS A 51 -1.161 6.723 12.017 1.00 22.52 N ATOM 706 CA LYS A 51 -2.438 6.118 12.377 1.00 10.43 C ATOM 707 C LYS A 51 -2.244 4.686 12.864 1.00 33.20 C ATOM 708 O LYS A 51 -2.946 4.227 13.764 1.00 15.05 O ATOM 709 CB LYS A 51 -3.390 6.137 11.179 1.00 32.14 C ATOM 710 CG LYS A 51 -3.802 7.535 10.751 1.00 23.20 C ATOM 711 CD LYS A 51 -4.791 7.496 9.599 1.00 55.32 C ATOM 712 CE LYS A 51 -5.280 8.890 9.237 1.00 42.54 C ATOM 713 NZ LYS A 51 -6.272 8.860 8.127 1.00 73.31 N ATOM 0 H LYS A 51 -0.988 6.775 11.013 1.00 22.52 H new ATOM 0 HA LYS A 51 -2.873 6.702 13.188 1.00 10.43 H new ATOM 0 HB2 LYS A 51 -2.912 5.635 10.338 1.00 32.14 H new ATOM 0 HB3 LYS A 51 -4.283 5.564 11.427 1.00 32.14 H new ATOM 0 HG2 LYS A 51 -4.247 8.059 11.597 1.00 23.20 H new ATOM 0 HG3 LYS A 51 -2.919 8.101 10.455 1.00 23.20 H new ATOM 0 HD2 LYS A 51 -4.320 7.037 8.729 1.00 55.32 H new ATOM 0 HD3 LYS A 51 -5.641 6.870 9.869 1.00 55.32 H new ATOM 0 HE2 LYS A 51 -5.730 9.356 10.114 1.00 42.54 H new ATOM 0 HE3 LYS A 51 -4.431 9.509 8.948 1.00 42.54 H new ATOM 0 HZ1 LYS A 51 -6.580 9.829 7.911 1.00 73.31 H new ATOM 0 HZ2 LYS A 51 -5.835 8.439 7.282 1.00 73.31 H new ATOM 0 HZ3 LYS A 51 -7.094 8.291 8.412 1.00 73.31 H new ATOM 727 N GLN A 52 -1.287 3.986 12.264 1.00 71.15 N ATOM 728 CA GLN A 52 -1.002 2.606 12.637 1.00 24.25 C ATOM 729 C GLN A 52 0.492 2.403 12.873 1.00 14.50 C ATOM 730 O GLN A 52 0.933 2.231 14.008 1.00 4.22 O ATOM 731 CB GLN A 52 -1.493 1.649 11.550 1.00 23.41 C ATOM 732 CG GLN A 52 -3.002 1.656 11.369 1.00 11.23 C ATOM 733 CD GLN A 52 -3.421 1.343 9.946 1.00 0.34 C ATOM 734 OE1 GLN A 52 -2.741 1.717 8.990 1.00 1.03 O ATOM 735 NE2 GLN A 52 -4.546 0.654 9.798 1.00 30.42 N ATOM 0 H GLN A 52 -0.696 4.352 11.518 1.00 71.15 H new ATOM 0 HA GLN A 52 -1.531 2.391 13.566 1.00 24.25 H new ATOM 0 HB2 GLN A 52 -1.021 1.914 10.604 1.00 23.41 H new ATOM 0 HB3 GLN A 52 -1.170 0.637 11.795 1.00 23.41 H new ATOM 0 HG2 GLN A 52 -3.448 0.926 12.044 1.00 11.23 H new ATOM 0 HG3 GLN A 52 -3.393 2.633 11.652 1.00 11.23 H new ATOM 0 HE21 GLN A 52 -5.078 0.364 10.618 1.00 30.42 H new ATOM 0 HE22 GLN A 52 -4.878 0.414 8.864 1.00 30.42 H new ATOM 744 N GLY A 53 1.265 2.425 11.791 1.00 11.35 N ATOM 745 CA GLY A 53 2.700 2.242 11.902 1.00 2.40 C ATOM 746 C GLY A 53 3.369 2.077 10.552 1.00 63.40 C ATOM 747 O GLY A 53 2.730 1.669 9.581 1.00 4.23 O ATOM 0 H GLY A 53 0.923 2.566 10.840 1.00 11.35 H new ATOM 0 HA2 GLY A 53 3.134 3.099 12.417 1.00 2.40 H new ATOM 0 HA3 GLY A 53 2.905 1.365 12.515 1.00 2.40 H new ATOM 751 N ILE A 54 4.658 2.394 10.489 1.00 11.21 N ATOM 752 CA ILE A 54 5.413 2.279 9.248 1.00 71.54 C ATOM 753 C ILE A 54 5.290 0.878 8.658 1.00 61.40 C ATOM 754 O ILE A 54 5.129 0.713 7.449 1.00 63.35 O ATOM 755 CB ILE A 54 6.903 2.604 9.462 1.00 12.15 C ATOM 756 CG1 ILE A 54 7.059 3.991 10.089 1.00 0.14 C ATOM 757 CG2 ILE A 54 7.658 2.525 8.144 1.00 32.30 C ATOM 758 CD1 ILE A 54 8.498 4.381 10.343 1.00 64.11 C ATOM 0 H ILE A 54 5.201 2.733 11.283 1.00 11.21 H new ATOM 0 HA ILE A 54 4.988 3.003 8.553 1.00 71.54 H new ATOM 0 HB ILE A 54 7.326 1.867 10.144 1.00 12.15 H new ATOM 0 HG12 ILE A 54 6.601 4.731 9.433 1.00 0.14 H new ATOM 0 HG13 ILE A 54 6.512 4.018 11.031 1.00 0.14 H new ATOM 0 HG21 ILE A 54 8.710 2.757 8.313 1.00 32.30 H new ATOM 0 HG22 ILE A 54 7.570 1.519 7.734 1.00 32.30 H new ATOM 0 HG23 ILE A 54 7.236 3.242 7.440 1.00 32.30 H new ATOM 0 HD11 ILE A 54 8.532 5.375 10.788 1.00 64.11 H new ATOM 0 HD12 ILE A 54 8.955 3.663 11.024 1.00 64.11 H new ATOM 0 HD13 ILE A 54 9.045 4.386 9.400 1.00 64.11 H new ATOM 770 N LYS A 55 5.365 -0.130 9.521 1.00 61.13 N ATOM 771 CA LYS A 55 5.259 -1.518 9.088 1.00 63.34 C ATOM 772 C LYS A 55 3.999 -1.734 8.255 1.00 24.03 C ATOM 773 O LYS A 55 4.039 -2.373 7.203 1.00 3.44 O ATOM 774 CB LYS A 55 5.249 -2.453 10.299 1.00 1.14 C ATOM 775 CG LYS A 55 4.208 -2.085 11.342 1.00 34.41 C ATOM 776 CD LYS A 55 4.448 -2.816 12.652 1.00 23.33 C ATOM 777 CE LYS A 55 5.368 -2.026 13.570 1.00 23.25 C ATOM 778 NZ LYS A 55 5.728 -2.798 14.792 1.00 5.42 N ATOM 0 H LYS A 55 5.499 -0.011 10.525 1.00 61.13 H new ATOM 0 HA LYS A 55 6.126 -1.746 8.468 1.00 63.34 H new ATOM 0 HB2 LYS A 55 5.066 -3.472 9.959 1.00 1.14 H new ATOM 0 HB3 LYS A 55 6.235 -2.444 10.763 1.00 1.14 H new ATOM 0 HG2 LYS A 55 4.230 -1.009 11.515 1.00 34.41 H new ATOM 0 HG3 LYS A 55 3.214 -2.327 10.966 1.00 34.41 H new ATOM 0 HD2 LYS A 55 3.495 -2.991 13.152 1.00 23.33 H new ATOM 0 HD3 LYS A 55 4.886 -3.793 12.450 1.00 23.33 H new ATOM 0 HE2 LYS A 55 6.276 -1.756 13.030 1.00 23.25 H new ATOM 0 HE3 LYS A 55 4.881 -1.095 13.859 1.00 23.25 H new ATOM 0 HZ1 LYS A 55 6.356 -2.226 15.392 1.00 5.42 H new ATOM 0 HZ2 LYS A 55 4.864 -3.034 15.321 1.00 5.42 H new ATOM 0 HZ3 LYS A 55 6.216 -3.675 14.518 1.00 5.42 H new ATOM 792 N LYS A 56 2.882 -1.196 8.732 1.00 73.50 N ATOM 793 CA LYS A 56 1.610 -1.327 8.031 1.00 32.32 C ATOM 794 C LYS A 56 1.643 -0.583 6.700 1.00 61.51 C ATOM 795 O LYS A 56 1.032 -1.014 5.722 1.00 10.04 O ATOM 796 CB LYS A 56 0.469 -0.791 8.899 1.00 74.24 C ATOM 797 CG LYS A 56 0.005 -1.768 9.965 1.00 33.11 C ATOM 798 CD LYS A 56 -1.472 -1.593 10.277 1.00 72.52 C ATOM 799 CE LYS A 56 -1.783 -1.949 11.723 1.00 45.32 C ATOM 800 NZ LYS A 56 -1.582 -3.399 11.993 1.00 64.30 N ATOM 0 H LYS A 56 2.832 -0.665 9.601 1.00 73.50 H new ATOM 0 HA LYS A 56 1.441 -2.385 7.831 1.00 32.32 H new ATOM 0 HB2 LYS A 56 0.793 0.132 9.380 1.00 74.24 H new ATOM 0 HB3 LYS A 56 -0.375 -0.537 8.258 1.00 74.24 H new ATOM 0 HG2 LYS A 56 0.188 -2.789 9.629 1.00 33.11 H new ATOM 0 HG3 LYS A 56 0.590 -1.622 10.873 1.00 33.11 H new ATOM 0 HD2 LYS A 56 -1.766 -0.561 10.084 1.00 72.52 H new ATOM 0 HD3 LYS A 56 -2.063 -2.222 9.611 1.00 72.52 H new ATOM 0 HE2 LYS A 56 -1.145 -1.364 12.386 1.00 45.32 H new ATOM 0 HE3 LYS A 56 -2.814 -1.677 11.950 1.00 45.32 H new ATOM 0 HZ1 LYS A 56 -1.804 -3.601 12.989 1.00 64.30 H new ATOM 0 HZ2 LYS A 56 -2.209 -3.957 11.378 1.00 64.30 H new ATOM 0 HZ3 LYS A 56 -0.592 -3.654 11.801 1.00 64.30 H new ATOM 814 N ALA A 57 2.362 0.534 6.669 1.00 13.14 N ATOM 815 CA ALA A 57 2.477 1.335 5.457 1.00 3.12 C ATOM 816 C ALA A 57 3.002 0.499 4.295 1.00 51.23 C ATOM 817 O ALA A 57 2.576 0.671 3.152 1.00 13.43 O ATOM 818 CB ALA A 57 3.384 2.532 5.700 1.00 1.53 C ATOM 0 H ALA A 57 2.874 0.905 7.470 1.00 13.14 H new ATOM 0 HA ALA A 57 1.482 1.694 5.192 1.00 3.12 H new ATOM 0 HB1 ALA A 57 3.461 3.122 4.786 1.00 1.53 H new ATOM 0 HB2 ALA A 57 2.967 3.149 6.496 1.00 1.53 H new ATOM 0 HB3 ALA A 57 4.375 2.184 5.992 1.00 1.53 H new ATOM 824 N ILE A 58 3.929 -0.405 4.593 1.00 34.02 N ATOM 825 CA ILE A 58 4.510 -1.267 3.572 1.00 24.42 C ATOM 826 C ILE A 58 3.436 -2.091 2.871 1.00 71.40 C ATOM 827 O ILE A 58 3.368 -2.122 1.643 1.00 74.54 O ATOM 828 CB ILE A 58 5.562 -2.220 4.172 1.00 12.31 C ATOM 829 CG1 ILE A 58 6.668 -1.422 4.865 1.00 43.32 C ATOM 830 CG2 ILE A 58 6.145 -3.114 3.089 1.00 63.42 C ATOM 831 CD1 ILE A 58 7.550 -2.263 5.761 1.00 60.35 C ATOM 0 H ILE A 58 4.294 -0.559 5.533 1.00 34.02 H new ATOM 0 HA ILE A 58 4.994 -0.614 2.846 1.00 24.42 H new ATOM 0 HB ILE A 58 5.076 -2.853 4.915 1.00 12.31 H new ATOM 0 HG12 ILE A 58 7.287 -0.941 4.107 1.00 43.32 H new ATOM 0 HG13 ILE A 58 6.215 -0.627 5.458 1.00 43.32 H new ATOM 0 HG21 ILE A 58 6.886 -3.781 3.528 1.00 63.42 H new ATOM 0 HG22 ILE A 58 5.348 -3.704 2.637 1.00 63.42 H new ATOM 0 HG23 ILE A 58 6.619 -2.498 2.325 1.00 63.42 H new ATOM 0 HD11 ILE A 58 8.311 -1.631 6.219 1.00 60.35 H new ATOM 0 HD12 ILE A 58 6.943 -2.723 6.541 1.00 60.35 H new ATOM 0 HD13 ILE A 58 8.032 -3.042 5.170 1.00 60.35 H new ATOM 843 N GLN A 59 2.598 -2.756 3.660 1.00 0.44 N ATOM 844 CA GLN A 59 1.526 -3.579 3.115 1.00 75.04 C ATOM 845 C GLN A 59 0.621 -2.759 2.201 1.00 61.05 C ATOM 846 O GLN A 59 0.049 -3.282 1.243 1.00 24.42 O ATOM 847 CB GLN A 59 0.702 -4.197 4.246 1.00 10.30 C ATOM 848 CG GLN A 59 1.384 -5.375 4.922 1.00 4.11 C ATOM 849 CD GLN A 59 0.546 -5.976 6.033 1.00 2.11 C ATOM 850 OE1 GLN A 59 -0.474 -6.617 5.779 1.00 11.23 O ATOM 851 NE2 GLN A 59 0.973 -5.772 7.274 1.00 42.02 N ATOM 0 H GLN A 59 2.641 -2.741 4.679 1.00 0.44 H new ATOM 0 HA GLN A 59 1.979 -4.377 2.527 1.00 75.04 H new ATOM 0 HB2 GLN A 59 0.494 -3.431 4.993 1.00 10.30 H new ATOM 0 HB3 GLN A 59 -0.259 -4.524 3.848 1.00 10.30 H new ATOM 0 HG2 GLN A 59 1.598 -6.142 4.178 1.00 4.11 H new ATOM 0 HG3 GLN A 59 2.342 -5.051 5.329 1.00 4.11 H new ATOM 0 HE21 GLN A 59 1.824 -5.234 7.439 1.00 42.02 H new ATOM 0 HE22 GLN A 59 0.450 -6.153 8.062 1.00 42.02 H new ATOM 860 N LEU A 60 0.495 -1.471 2.502 1.00 62.34 N ATOM 861 CA LEU A 60 -0.341 -0.578 1.707 1.00 44.10 C ATOM 862 C LEU A 60 0.227 -0.408 0.301 1.00 1.15 C ATOM 863 O LEU A 60 -0.509 -0.438 -0.684 1.00 54.13 O ATOM 864 CB LEU A 60 -0.457 0.786 2.391 1.00 75.55 C ATOM 865 CG LEU A 60 -1.865 1.203 2.818 1.00 3.44 C ATOM 866 CD1 LEU A 60 -2.807 1.204 1.625 1.00 53.40 C ATOM 867 CD2 LEU A 60 -2.386 0.281 3.911 1.00 2.31 C ATOM 0 H LEU A 60 0.961 -1.022 3.290 1.00 62.34 H new ATOM 0 HA LEU A 60 -1.333 -1.023 1.627 1.00 44.10 H new ATOM 0 HB2 LEU A 60 0.183 0.784 3.273 1.00 75.55 H new ATOM 0 HB3 LEU A 60 -0.064 1.545 1.714 1.00 75.55 H new ATOM 0 HG LEU A 60 -1.817 2.216 3.217 1.00 3.44 H new ATOM 0 HD11 LEU A 60 -3.804 1.503 1.949 1.00 53.40 H new ATOM 0 HD12 LEU A 60 -2.443 1.906 0.875 1.00 53.40 H new ATOM 0 HD13 LEU A 60 -2.850 0.203 1.195 1.00 53.40 H new ATOM 0 HD21 LEU A 60 -3.389 0.593 4.202 1.00 2.31 H new ATOM 0 HD22 LEU A 60 -2.418 -0.743 3.539 1.00 2.31 H new ATOM 0 HD23 LEU A 60 -1.725 0.332 4.776 1.00 2.31 H new