USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ 159:sc= 0.124 (180deg=0) USER MOD Set 1.2: A 89 MET CE :methyl -143:sc= -3.41 (180deg=-5.72!) USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.261 K(o=-0.26,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ -106:sc= -1.46! (180deg=-6.63!) USER MOD Single : A 30 GLN : amide:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 31 ASN : amide:sc= -2.87 K(o=-2.9,f=-3.5) USER MOD Single : A 36 SER OG : rot -90:sc= -0.995 USER MOD Single : A 48 TYR OH : rot -15:sc= -1.93! USER MOD Single : A 51 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.6!) USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 56 THR OG1 : rot -109:sc= 1.09 USER MOD Single : A 63 THR OG1 : rot -130:sc= -0.784 USER MOD Single : A 71 THR OG1 : rot -54:sc= 0.0946 USER MOD Single : A 74 ASN : amide:sc= -0.0536 X(o=-0.054,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00361 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -3.21! C(o=-3.2!,f=-2.9!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -3.21 X(o=-3.2,f=-3.2!) USER MOD Single : A 101 TYR OH : rot -132:sc= -3.56! USER MOD Single : A 102 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.12) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 180:sc= 0.00638 USER MOD Single : B 124 LYS NZ :NH3+ 156:sc=-0.00632 (180deg=-0.228) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 19 -0.552 -5.214 -7.913 1.00 0.00 N ATOM 16 CA VAL A 19 -0.748 -3.949 -8.608 1.00 0.00 C ATOM 17 C VAL A 19 0.338 -2.942 -8.234 1.00 0.00 C ATOM 18 O VAL A 19 0.225 -2.244 -7.226 1.00 0.00 O ATOM 19 CB VAL A 19 -2.126 -3.340 -8.287 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.398 -2.134 -9.171 1.00 0.00 C ATOM 21 CG2 VAL A 19 -3.222 -4.384 -8.446 1.00 0.00 C ATOM 0 HA VAL A 19 -0.692 -4.163 -9.675 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.121 -3.006 -7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.376 -1.718 -8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.631 -1.379 -9.002 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.383 -2.439 -10.217 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.188 -3.935 -8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.229 -4.751 -9.472 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.035 -5.214 -7.765 1.00 0.00 H new ATOM 31 N PRO A 20 1.411 -2.853 -9.040 1.00 0.00 N ATOM 32 CA PRO A 20 2.516 -1.924 -8.782 1.00 0.00 C ATOM 33 C PRO A 20 2.091 -0.466 -8.913 1.00 0.00 C ATOM 34 O PRO A 20 2.025 0.075 -10.017 1.00 0.00 O ATOM 35 CB PRO A 20 3.548 -2.280 -9.855 1.00 0.00 C ATOM 36 CG PRO A 20 2.761 -2.925 -10.944 1.00 0.00 C ATOM 37 CD PRO A 20 1.631 -3.646 -10.265 1.00 0.00 C ATOM 0 HA PRO A 20 2.895 -2.020 -7.764 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.066 -1.391 -10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.308 -2.956 -9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.384 -2.181 -11.646 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.379 -3.618 -11.515 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.739 -3.676 -10.891 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.893 -4.679 -10.034 1.00 0.00 H new ATOM 45 N GLY A 21 1.803 0.166 -7.780 1.00 0.00 N ATOM 46 CA GLY A 21 1.388 1.556 -7.788 1.00 0.00 C ATOM 47 C GLY A 21 2.158 2.395 -6.789 1.00 0.00 C ATOM 48 O GLY A 21 2.505 1.921 -5.706 1.00 0.00 O ATOM 0 H GLY A 21 1.850 -0.261 -6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.527 1.968 -8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.323 1.616 -7.564 1.00 0.00 H new ATOM 52 N LYS A 22 2.427 3.646 -7.149 1.00 0.00 N ATOM 53 CA LYS A 22 3.162 4.552 -6.275 1.00 0.00 C ATOM 54 C LYS A 22 2.296 5.741 -5.868 1.00 0.00 C ATOM 55 O LYS A 22 1.800 6.479 -6.719 1.00 0.00 O ATOM 56 CB LYS A 22 4.434 5.046 -6.969 1.00 0.00 C ATOM 57 CG LYS A 22 4.193 5.574 -8.374 1.00 0.00 C ATOM 58 CD LYS A 22 5.307 6.510 -8.815 1.00 0.00 C ATOM 59 CE LYS A 22 5.546 6.424 -10.313 1.00 0.00 C ATOM 60 NZ LYS A 22 6.905 6.903 -10.686 1.00 0.00 N ATOM 0 H LYS A 22 2.147 4.055 -8.040 1.00 0.00 H new ATOM 0 HA LYS A 22 3.438 4.002 -5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.885 5.834 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.154 4.229 -7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.121 4.739 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.239 6.100 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.051 7.534 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.225 6.260 -8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.422 5.392 -10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.796 7.018 -10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.029 6.828 -11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.015 7.895 -10.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.622 6.320 -10.208 1.00 0.00 H new ATOM 74 N VAL A 23 2.123 5.919 -4.563 1.00 0.00 N ATOM 75 CA VAL A 23 1.319 7.019 -4.043 1.00 0.00 C ATOM 76 C VAL A 23 2.201 8.080 -3.390 1.00 0.00 C ATOM 77 O VAL A 23 3.107 7.761 -2.620 1.00 0.00 O ATOM 78 CB VAL A 23 0.281 6.519 -3.017 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.969 5.849 -1.836 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.605 7.666 -2.550 1.00 0.00 C ATOM 0 H VAL A 23 2.528 5.317 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 23 0.794 7.460 -4.890 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.352 5.777 -3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.218 5.504 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.552 4.998 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.630 6.564 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.331 7.294 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.011 8.435 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.130 8.091 -3.405 1.00 0.00 H new ATOM 90 N THR A 24 1.930 9.342 -3.705 1.00 0.00 N ATOM 91 CA THR A 24 2.700 10.450 -3.152 1.00 0.00 C ATOM 92 C THR A 24 2.024 11.014 -1.906 1.00 0.00 C ATOM 93 O THR A 24 1.293 12.002 -1.977 1.00 0.00 O ATOM 94 CB THR A 24 2.870 11.553 -4.198 1.00 0.00 C ATOM 95 OG1 THR A 24 3.467 11.040 -5.375 1.00 0.00 O ATOM 96 CG2 THR A 24 3.722 12.708 -3.716 1.00 0.00 C ATOM 0 H THR A 24 1.183 9.623 -4.340 1.00 0.00 H new ATOM 0 HA THR A 24 3.683 10.072 -2.870 1.00 0.00 H new ATOM 0 HB THR A 24 1.864 11.922 -4.395 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.566 11.760 -6.032 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.803 13.455 -4.506 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.261 13.158 -2.836 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.717 12.344 -3.458 1.00 0.00 H new ATOM 104 N LEU A 25 2.276 10.380 -0.766 1.00 0.00 N ATOM 105 CA LEU A 25 1.694 10.818 0.498 1.00 0.00 C ATOM 106 C LEU A 25 2.513 11.953 1.104 1.00 0.00 C ATOM 107 O LEU A 25 3.609 12.256 0.637 1.00 0.00 O ATOM 108 CB LEU A 25 1.612 9.649 1.481 1.00 0.00 C ATOM 109 CG LEU A 25 0.931 8.393 0.937 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.326 7.174 1.756 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.580 8.567 0.934 1.00 0.00 C ATOM 0 H LEU A 25 2.879 9.561 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 25 0.687 11.184 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.622 9.388 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.075 9.979 2.370 1.00 0.00 H new ATOM 0 HG LEU A 25 1.263 8.238 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.832 6.290 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.407 7.039 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.023 7.319 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.049 7.664 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.928 8.746 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.847 9.416 0.305 1.00 0.00 H new ATOM 123 N GLN A 26 1.975 12.574 2.148 1.00 0.00 N ATOM 124 CA GLN A 26 2.660 13.675 2.816 1.00 0.00 C ATOM 125 C GLN A 26 2.827 13.388 4.305 1.00 0.00 C ATOM 126 O GLN A 26 1.926 12.852 4.950 1.00 0.00 O ATOM 127 CB GLN A 26 1.885 14.979 2.622 1.00 0.00 C ATOM 128 CG GLN A 26 2.202 15.684 1.313 1.00 0.00 C ATOM 129 CD GLN A 26 0.985 16.350 0.700 1.00 0.00 C ATOM 130 OE1 GLN A 26 -0.148 16.091 1.104 1.00 0.00 O ATOM 131 NE2 GLN A 26 1.215 17.213 -0.283 1.00 0.00 N ATOM 0 H GLN A 26 1.068 12.335 2.550 1.00 0.00 H new ATOM 0 HA GLN A 26 3.649 13.778 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.817 14.767 2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.107 15.651 3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.974 16.434 1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.612 14.963 0.606 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.171 17.398 -0.586 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.435 17.691 -0.735 1.00 0.00 H new ATOM 140 N LYS A 27 3.988 13.748 4.844 1.00 0.00 N ATOM 141 CA LYS A 27 4.275 13.530 6.258 1.00 0.00 C ATOM 142 C LYS A 27 3.363 14.378 7.136 1.00 0.00 C ATOM 143 O LYS A 27 3.080 15.534 6.821 1.00 0.00 O ATOM 144 CB LYS A 27 5.740 13.856 6.557 1.00 0.00 C ATOM 145 CG LYS A 27 6.714 13.264 5.551 1.00 0.00 C ATOM 146 CD LYS A 27 7.793 12.437 6.234 1.00 0.00 C ATOM 147 CE LYS A 27 8.111 11.174 5.447 1.00 0.00 C ATOM 148 NZ LYS A 27 7.663 9.948 6.161 1.00 0.00 N ATOM 0 H LYS A 27 4.745 14.192 4.324 1.00 0.00 H new ATOM 0 HA LYS A 27 4.090 12.480 6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.865 14.939 6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.990 13.487 7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.171 12.639 4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.178 14.067 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.697 13.036 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.465 12.168 7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.628 11.223 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.185 11.118 5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.489 9.453 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.018 10.212 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.168 9.320 5.496 1.00 0.00 H new ATOM 162 N ASP A 28 2.906 13.798 8.239 1.00 0.00 N ATOM 163 CA ASP A 28 2.024 14.502 9.164 1.00 0.00 C ATOM 164 C ASP A 28 2.804 15.526 9.983 1.00 0.00 C ATOM 165 O ASP A 28 3.974 15.794 9.711 1.00 0.00 O ATOM 166 CB ASP A 28 1.330 13.507 10.097 1.00 0.00 C ATOM 167 CG ASP A 28 -0.115 13.879 10.367 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.872 14.066 9.392 1.00 0.00 O ATOM 169 OD2 ASP A 28 -0.488 13.986 11.554 1.00 0.00 O ATOM 0 H ASP A 28 3.131 12.842 8.515 1.00 0.00 H new ATOM 0 HA ASP A 28 1.269 15.028 8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.370 12.511 9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.873 13.459 11.041 1.00 0.00 H new ATOM 174 N ALA A 29 2.145 16.097 10.986 1.00 0.00 N ATOM 175 CA ALA A 29 2.775 17.094 11.845 1.00 0.00 C ATOM 176 C ALA A 29 3.983 16.512 12.571 1.00 0.00 C ATOM 177 O ALA A 29 4.917 17.232 12.918 1.00 0.00 O ATOM 178 CB ALA A 29 1.768 17.641 12.845 1.00 0.00 C ATOM 0 H ALA A 29 1.176 15.887 11.224 1.00 0.00 H new ATOM 0 HA ALA A 29 3.124 17.911 11.214 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.252 18.384 13.479 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.939 18.105 12.310 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.390 16.827 13.463 1.00 0.00 H new ATOM 184 N GLN A 30 3.955 15.203 12.799 1.00 0.00 N ATOM 185 CA GLN A 30 5.048 14.523 13.485 1.00 0.00 C ATOM 186 C GLN A 30 5.994 13.863 12.487 1.00 0.00 C ATOM 187 O GLN A 30 6.593 12.828 12.780 1.00 0.00 O ATOM 188 CB GLN A 30 4.495 13.476 14.453 1.00 0.00 C ATOM 189 CG GLN A 30 3.543 12.488 13.799 1.00 0.00 C ATOM 190 CD GLN A 30 2.178 12.466 14.460 1.00 0.00 C ATOM 191 OE1 GLN A 30 1.747 11.439 14.985 1.00 0.00 O ATOM 192 NE2 GLN A 30 1.492 13.602 14.438 1.00 0.00 N ATOM 0 H GLN A 30 3.188 14.592 12.519 1.00 0.00 H new ATOM 0 HA GLN A 30 5.610 15.268 14.048 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.326 12.928 14.897 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.977 13.983 15.267 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.428 12.743 12.746 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.978 11.489 13.839 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.889 14.429 13.991 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.568 13.648 14.868 1.00 0.00 H new ATOM 201 N ASN A 31 6.119 14.468 11.307 1.00 0.00 N ATOM 202 CA ASN A 31 6.991 13.948 10.255 1.00 0.00 C ATOM 203 C ASN A 31 6.847 12.434 10.107 1.00 0.00 C ATOM 204 O ASN A 31 7.808 11.736 9.784 1.00 0.00 O ATOM 205 CB ASN A 31 8.450 14.308 10.543 1.00 0.00 C ATOM 206 CG ASN A 31 8.982 13.638 11.795 1.00 0.00 C ATOM 207 OD1 ASN A 31 8.865 14.175 12.899 1.00 0.00 O ATOM 208 ND2 ASN A 31 9.569 12.458 11.633 1.00 0.00 N ATOM 0 H ASN A 31 5.624 15.324 11.055 1.00 0.00 H new ATOM 0 HA ASN A 31 6.687 14.411 9.316 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.066 14.019 9.692 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.539 15.389 10.649 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.944 11.960 12.440 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.645 12.050 10.701 1.00 0.00 H new ATOM 215 N LEU A 32 5.638 11.934 10.345 1.00 0.00 N ATOM 216 CA LEU A 32 5.368 10.505 10.239 1.00 0.00 C ATOM 217 C LEU A 32 4.072 10.250 9.474 1.00 0.00 C ATOM 218 O LEU A 32 2.986 10.569 9.955 1.00 0.00 O ATOM 219 CB LEU A 32 5.284 9.875 11.630 1.00 0.00 C ATOM 220 CG LEU A 32 6.600 9.847 12.409 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.333 9.831 13.906 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.433 8.641 12.002 1.00 0.00 C ATOM 0 H LEU A 32 4.831 12.497 10.612 1.00 0.00 H new ATOM 0 HA LEU A 32 6.190 10.047 9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.545 10.421 12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.918 8.853 11.528 1.00 0.00 H new ATOM 0 HG LEU A 32 7.162 10.750 12.170 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.281 9.811 14.444 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.775 10.725 14.186 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.751 8.946 14.162 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.366 8.636 12.566 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.877 7.727 12.212 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.654 8.694 10.936 1.00 0.00 H new ATOM 234 N ILE A 33 4.196 9.675 8.283 1.00 0.00 N ATOM 235 CA ILE A 33 3.033 9.378 7.454 1.00 0.00 C ATOM 236 C ILE A 33 2.070 8.442 8.175 1.00 0.00 C ATOM 237 O ILE A 33 0.862 8.480 7.941 1.00 0.00 O ATOM 238 CB ILE A 33 3.443 8.743 6.111 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.275 7.482 6.350 1.00 0.00 C ATOM 240 CG2 ILE A 33 4.218 9.745 5.269 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.736 6.812 5.074 1.00 0.00 C ATOM 0 H ILE A 33 5.089 9.405 7.870 1.00 0.00 H new ATOM 0 HA ILE A 33 2.535 10.327 7.258 1.00 0.00 H new ATOM 0 HB ILE A 33 2.541 8.461 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.147 7.740 6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.686 6.772 6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.501 9.283 4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.593 10.617 5.074 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.115 10.054 5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.320 5.925 5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.868 6.523 4.481 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.352 7.505 4.501 1.00 0.00 H new ATOM 253 N GLY A 34 2.609 7.609 9.059 1.00 0.00 N ATOM 254 CA GLY A 34 1.780 6.681 9.805 1.00 0.00 C ATOM 255 C GLY A 34 1.537 5.381 9.064 1.00 0.00 C ATOM 256 O GLY A 34 0.483 5.192 8.459 1.00 0.00 O ATOM 0 H GLY A 34 3.605 7.560 9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.256 6.465 10.762 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.822 7.153 10.025 1.00 0.00 H new ATOM 260 N ILE A 35 2.513 4.481 9.115 1.00 0.00 N ATOM 261 CA ILE A 35 2.400 3.188 8.450 1.00 0.00 C ATOM 262 C ILE A 35 3.315 2.157 9.097 1.00 0.00 C ATOM 263 O ILE A 35 4.425 2.479 9.524 1.00 0.00 O ATOM 264 CB ILE A 35 2.737 3.290 6.949 1.00 0.00 C ATOM 265 CG1 ILE A 35 4.171 3.787 6.753 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.753 4.213 6.245 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.741 3.460 5.389 1.00 0.00 C ATOM 0 H ILE A 35 3.393 4.624 9.611 1.00 0.00 H new ATOM 0 HA ILE A 35 1.363 2.869 8.557 1.00 0.00 H new ATOM 0 HB ILE A 35 2.654 2.296 6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.196 4.867 6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.808 3.346 7.520 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.005 4.274 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.742 3.820 6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.806 5.207 6.688 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.760 3.841 5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.748 2.379 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.126 3.923 4.617 1.00 0.00 H new ATOM 279 N SER A 36 2.845 0.917 9.169 1.00 0.00 N ATOM 280 CA SER A 36 3.624 -0.161 9.766 1.00 0.00 C ATOM 281 C SER A 36 4.130 -1.122 8.695 1.00 0.00 C ATOM 282 O SER A 36 3.403 -1.467 7.765 1.00 0.00 O ATOM 283 CB SER A 36 2.783 -0.920 10.795 1.00 0.00 C ATOM 284 OG SER A 36 2.460 -0.093 11.899 1.00 0.00 O ATOM 0 H SER A 36 1.929 0.633 8.822 1.00 0.00 H new ATOM 0 HA SER A 36 4.484 0.281 10.268 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.867 -1.280 10.326 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.330 -1.797 11.141 1.00 0.00 H new ATOM 0 HG SER A 36 3.156 -0.176 12.584 1.00 0.00 H new ATOM 290 N ILE A 37 5.380 -1.550 8.834 1.00 0.00 N ATOM 291 CA ILE A 37 5.982 -2.470 7.876 1.00 0.00 C ATOM 292 C ILE A 37 6.800 -3.543 8.586 1.00 0.00 C ATOM 293 O ILE A 37 6.970 -3.505 9.805 1.00 0.00 O ATOM 294 CB ILE A 37 6.888 -1.728 6.876 1.00 0.00 C ATOM 295 CG1 ILE A 37 7.904 -0.860 7.621 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.051 -0.879 5.932 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.166 -1.602 8.004 1.00 0.00 C ATOM 0 H ILE A 37 5.995 -1.275 9.600 1.00 0.00 H new ATOM 0 HA ILE A 37 5.163 -2.940 7.332 1.00 0.00 H new ATOM 0 HB ILE A 37 7.432 -2.465 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.169 -0.007 6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.438 -0.462 8.523 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.706 -0.361 5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.363 -1.519 5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.483 -0.147 6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.841 -0.926 8.529 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.913 -2.439 8.655 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.655 -1.977 7.105 1.00 0.00 H new ATOM 309 N GLY A 38 7.307 -4.500 7.814 1.00 0.00 N ATOM 310 CA GLY A 38 8.102 -5.571 8.386 1.00 0.00 C ATOM 311 C GLY A 38 8.737 -6.447 7.325 1.00 0.00 C ATOM 312 O GLY A 38 8.067 -6.894 6.395 1.00 0.00 O ATOM 0 H GLY A 38 7.181 -4.552 6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.882 -5.144 9.016 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.472 -6.184 9.030 1.00 0.00 H new ATOM 316 N GLY A 39 10.036 -6.697 7.467 1.00 0.00 N ATOM 317 CA GLY A 39 10.740 -7.527 6.506 1.00 0.00 C ATOM 318 C GLY A 39 12.138 -7.888 6.968 1.00 0.00 C ATOM 319 O GLY A 39 12.646 -7.321 7.936 1.00 0.00 O ATOM 0 H GLY A 39 10.612 -6.340 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.171 -8.440 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.800 -7.003 5.552 1.00 0.00 H new ATOM 414 N LEU A 47 9.969 -6.157 1.670 1.00 0.00 N ATOM 415 CA LEU A 47 9.274 -5.550 2.799 1.00 0.00 C ATOM 416 C LEU A 47 7.765 -5.568 2.578 1.00 0.00 C ATOM 417 O LEU A 47 7.288 -5.396 1.457 1.00 0.00 O ATOM 418 CB LEU A 47 9.756 -4.111 3.006 1.00 0.00 C ATOM 419 CG LEU A 47 10.844 -3.940 4.069 1.00 0.00 C ATOM 420 CD1 LEU A 47 10.280 -4.204 5.456 1.00 0.00 C ATOM 421 CD2 LEU A 47 12.017 -4.864 3.782 1.00 0.00 C ATOM 0 HA LEU A 47 9.500 -6.133 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.133 -3.730 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.901 -3.493 3.280 1.00 0.00 H new ATOM 0 HG LEU A 47 11.202 -2.911 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.067 -4.078 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.472 -3.501 5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.895 -5.223 5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.782 -4.730 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.675 -5.899 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.436 -4.627 2.804 1.00 0.00 H new ATOM 433 N TYR A 48 7.017 -5.779 3.657 1.00 0.00 N ATOM 434 CA TYR A 48 5.561 -5.821 3.581 1.00 0.00 C ATOM 435 C TYR A 48 4.933 -4.870 4.596 1.00 0.00 C ATOM 436 O TYR A 48 5.494 -4.630 5.665 1.00 0.00 O ATOM 437 CB TYR A 48 5.059 -7.250 3.818 1.00 0.00 C ATOM 438 CG TYR A 48 4.202 -7.785 2.693 1.00 0.00 C ATOM 439 CD1 TYR A 48 4.779 -8.297 1.538 1.00 0.00 C ATOM 440 CD2 TYR A 48 2.816 -7.779 2.788 1.00 0.00 C ATOM 441 CE1 TYR A 48 3.999 -8.790 0.510 1.00 0.00 C ATOM 442 CE2 TYR A 48 2.030 -8.268 1.762 1.00 0.00 C ATOM 443 CZ TYR A 48 2.625 -8.772 0.626 1.00 0.00 C ATOM 444 OH TYR A 48 1.845 -9.261 -0.397 1.00 0.00 O ATOM 0 H TYR A 48 7.395 -5.923 4.593 1.00 0.00 H new ATOM 0 HA TYR A 48 5.264 -5.500 2.583 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.916 -7.909 3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.485 -7.276 4.744 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.855 -8.310 1.442 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.346 -7.386 3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.463 -9.188 -0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.954 -8.255 1.850 1.00 0.00 H new ATOM 0 HH TYR A 48 2.389 -9.354 -1.207 1.00 0.00 H new ATOM 454 N ILE A 49 3.766 -4.334 4.254 1.00 0.00 N ATOM 455 CA ILE A 49 3.061 -3.410 5.135 1.00 0.00 C ATOM 456 C ILE A 49 2.140 -4.160 6.092 1.00 0.00 C ATOM 457 O ILE A 49 1.331 -4.986 5.671 1.00 0.00 O ATOM 458 CB ILE A 49 2.231 -2.390 4.332 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.079 -1.770 3.221 1.00 0.00 C ATOM 460 CG2 ILE A 49 1.684 -1.310 5.253 1.00 0.00 C ATOM 461 CD1 ILE A 49 2.312 -0.810 2.339 1.00 0.00 C ATOM 0 H ILE A 49 3.288 -4.524 3.373 1.00 0.00 H new ATOM 0 HA ILE A 49 3.820 -2.877 5.708 1.00 0.00 H new ATOM 0 HB ILE A 49 1.390 -2.910 3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.922 -1.244 3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.492 -2.567 2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.100 -0.597 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.048 -1.766 6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.511 -0.792 5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.976 -0.409 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.485 -1.336 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.921 0.008 2.945 1.00 0.00 H new ATOM 473 N VAL A 50 2.269 -3.866 7.382 1.00 0.00 N ATOM 474 CA VAL A 50 1.450 -4.513 8.399 1.00 0.00 C ATOM 475 C VAL A 50 0.064 -3.881 8.478 1.00 0.00 C ATOM 476 O VAL A 50 -0.949 -4.565 8.333 1.00 0.00 O ATOM 477 CB VAL A 50 2.115 -4.439 9.787 1.00 0.00 C ATOM 478 CG1 VAL A 50 1.356 -5.294 10.790 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.572 -4.868 9.704 1.00 0.00 C ATOM 0 H VAL A 50 2.933 -3.184 7.747 1.00 0.00 H new ATOM 0 HA VAL A 50 1.352 -5.558 8.105 1.00 0.00 H new ATOM 0 HB VAL A 50 2.083 -3.405 10.130 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.841 -5.229 11.764 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.330 -4.936 10.871 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.353 -6.331 10.455 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.025 -4.809 10.693 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.629 -5.893 9.339 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.107 -4.209 9.020 1.00 0.00 H new ATOM 489 N GLN A 51 0.025 -2.574 8.716 1.00 0.00 N ATOM 490 CA GLN A 51 -1.238 -1.854 8.817 1.00 0.00 C ATOM 491 C GLN A 51 -1.003 -0.351 8.922 1.00 0.00 C ATOM 492 O GLN A 51 0.136 0.114 8.884 1.00 0.00 O ATOM 493 CB GLN A 51 -2.030 -2.343 10.030 1.00 0.00 C ATOM 494 CG GLN A 51 -1.202 -2.432 11.302 1.00 0.00 C ATOM 495 CD GLN A 51 -1.774 -3.419 12.301 1.00 0.00 C ATOM 496 OE1 GLN A 51 -1.669 -4.633 12.124 1.00 0.00 O ATOM 497 NE2 GLN A 51 -2.383 -2.900 13.361 1.00 0.00 N ATOM 0 H GLN A 51 0.853 -1.993 8.842 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.812 -2.050 7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.871 -1.670 10.200 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.448 -3.325 9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.183 -2.726 11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.144 -1.446 11.763 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.447 -1.888 13.468 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.787 -3.514 14.069 1.00 0.00 H new ATOM 506 N VAL A 52 -2.089 0.405 9.055 1.00 0.00 N ATOM 507 CA VAL A 52 -2.003 1.857 9.168 1.00 0.00 C ATOM 508 C VAL A 52 -2.620 2.341 10.475 1.00 0.00 C ATOM 509 O VAL A 52 -3.427 1.642 11.086 1.00 0.00 O ATOM 510 CB VAL A 52 -2.711 2.569 7.994 1.00 0.00 C ATOM 511 CG1 VAL A 52 -2.096 3.937 7.749 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.660 1.723 6.730 1.00 0.00 C ATOM 0 H VAL A 52 -3.039 0.036 9.087 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.942 2.106 9.145 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.758 2.705 8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.608 4.423 6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.199 4.548 8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.039 3.823 7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.166 2.248 5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.621 1.544 6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.157 0.770 6.910 1.00 0.00 H new ATOM 522 N PHE A 53 -2.237 3.541 10.896 1.00 0.00 N ATOM 523 CA PHE A 53 -2.758 4.119 12.128 1.00 0.00 C ATOM 524 C PHE A 53 -3.793 5.195 11.822 1.00 0.00 C ATOM 525 O PHE A 53 -3.689 5.904 10.821 1.00 0.00 O ATOM 526 CB PHE A 53 -1.618 4.707 12.963 1.00 0.00 C ATOM 527 CG PHE A 53 -1.022 3.727 13.933 1.00 0.00 C ATOM 528 CD1 PHE A 53 -0.031 2.847 13.528 1.00 0.00 C ATOM 529 CD2 PHE A 53 -1.456 3.682 15.248 1.00 0.00 C ATOM 530 CE1 PHE A 53 0.517 1.942 14.416 1.00 0.00 C ATOM 531 CE2 PHE A 53 -0.911 2.778 16.141 1.00 0.00 C ATOM 532 CZ PHE A 53 0.078 1.908 15.725 1.00 0.00 C ATOM 0 H PHE A 53 -1.568 4.132 10.402 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.241 3.327 12.700 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.836 5.066 12.294 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.989 5.572 13.513 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.317 2.869 12.506 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.228 4.360 15.579 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.288 1.261 14.087 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.258 2.752 17.163 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.507 1.203 16.422 1.00 0.00 H new ATOM 542 N ASP A 54 -4.795 5.310 12.684 1.00 0.00 N ATOM 543 CA ASP A 54 -5.852 6.297 12.499 1.00 0.00 C ATOM 544 C ASP A 54 -5.307 7.717 12.604 1.00 0.00 C ATOM 545 O ASP A 54 -4.291 7.960 13.256 1.00 0.00 O ATOM 546 CB ASP A 54 -6.961 6.090 13.533 1.00 0.00 C ATOM 547 CG ASP A 54 -8.313 6.555 13.030 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.520 7.781 12.932 1.00 0.00 O ATOM 549 OD2 ASP A 54 -9.166 5.690 12.736 1.00 0.00 O ATOM 0 H ASP A 54 -4.898 4.732 13.518 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.263 6.160 11.499 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.017 5.033 13.795 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.710 6.631 14.445 1.00 0.00 H new ATOM 554 N ASN A 55 -5.998 8.653 11.962 1.00 0.00 N ATOM 555 CA ASN A 55 -5.602 10.058 11.979 1.00 0.00 C ATOM 556 C ASN A 55 -4.263 10.274 11.276 1.00 0.00 C ATOM 557 O ASN A 55 -3.582 11.270 11.521 1.00 0.00 O ATOM 558 CB ASN A 55 -5.518 10.568 13.418 1.00 0.00 C ATOM 559 CG ASN A 55 -6.816 10.370 14.177 1.00 0.00 C ATOM 560 OD1 ASN A 55 -6.943 9.229 14.844 1.00 0.00 O flip ATOM 561 ND2 ASN A 55 -7.694 11.233 14.164 1.00 0.00 N flip ATOM 0 H ASN A 55 -6.841 8.463 11.420 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.363 10.620 11.438 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.713 10.049 13.938 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.262 11.628 13.411 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.554 12.095 13.638 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.562 11.086 14.680 1.00 0.00 H new ATOM 568 N THR A 56 -3.891 9.347 10.399 1.00 0.00 N ATOM 569 CA THR A 56 -2.636 9.458 9.662 1.00 0.00 C ATOM 570 C THR A 56 -2.903 9.773 8.194 1.00 0.00 C ATOM 571 O THR A 56 -3.921 9.364 7.639 1.00 0.00 O ATOM 572 CB THR A 56 -1.829 8.166 9.778 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.460 7.114 9.069 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.631 7.708 11.206 1.00 0.00 C ATOM 0 H THR A 56 -4.438 8.514 10.182 1.00 0.00 H new ATOM 0 HA THR A 56 -2.058 10.273 10.097 1.00 0.00 H new ATOM 0 HB THR A 56 -0.853 8.397 9.352 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.834 6.469 9.705 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.050 6.786 11.215 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.098 8.478 11.764 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.602 7.530 11.669 1.00 0.00 H new ATOM 582 N PRO A 57 -1.986 10.506 7.539 1.00 0.00 N ATOM 583 CA PRO A 57 -2.133 10.869 6.126 1.00 0.00 C ATOM 584 C PRO A 57 -2.216 9.642 5.225 1.00 0.00 C ATOM 585 O PRO A 57 -2.813 9.689 4.149 1.00 0.00 O ATOM 586 CB PRO A 57 -0.863 11.677 5.821 1.00 0.00 C ATOM 587 CG PRO A 57 0.096 11.322 6.906 1.00 0.00 C ATOM 588 CD PRO A 57 -0.740 11.033 8.118 1.00 0.00 C ATOM 0 HA PRO A 57 -3.053 11.424 5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.460 11.422 4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.070 12.747 5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.695 10.454 6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.790 12.141 7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.261 10.307 8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.918 11.931 8.710 1.00 0.00 H new ATOM 596 N ALA A 58 -1.616 8.544 5.672 1.00 0.00 N ATOM 597 CA ALA A 58 -1.623 7.303 4.908 1.00 0.00 C ATOM 598 C ALA A 58 -2.958 6.578 5.050 1.00 0.00 C ATOM 599 O ALA A 58 -3.406 5.896 4.129 1.00 0.00 O ATOM 600 CB ALA A 58 -0.481 6.403 5.356 1.00 0.00 C ATOM 0 H ALA A 58 -1.118 8.489 6.561 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.485 7.551 3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.497 5.479 4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.469 6.914 5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.595 6.170 6.415 1.00 0.00 H new ATOM 606 N ALA A 59 -3.588 6.727 6.212 1.00 0.00 N ATOM 607 CA ALA A 59 -4.870 6.086 6.474 1.00 0.00 C ATOM 608 C ALA A 59 -6.032 6.982 6.061 1.00 0.00 C ATOM 609 O ALA A 59 -7.111 6.498 5.719 1.00 0.00 O ATOM 610 CB ALA A 59 -4.983 5.718 7.946 1.00 0.00 C ATOM 0 H ALA A 59 -3.230 7.286 6.986 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.920 5.176 5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.945 5.240 8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.180 5.031 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.905 6.620 8.553 1.00 0.00 H new ATOM 616 N LEU A 60 -5.806 8.292 6.091 1.00 0.00 N ATOM 617 CA LEU A 60 -6.834 9.255 5.718 1.00 0.00 C ATOM 618 C LEU A 60 -6.936 9.376 4.202 1.00 0.00 C ATOM 619 O LEU A 60 -8.028 9.529 3.654 1.00 0.00 O ATOM 620 CB LEU A 60 -6.531 10.623 6.334 1.00 0.00 C ATOM 621 CG LEU A 60 -6.551 10.668 7.863 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.880 11.936 8.368 1.00 0.00 C ATOM 623 CD2 LEU A 60 -7.978 10.575 8.381 1.00 0.00 C ATOM 0 H LEU A 60 -4.919 8.710 6.370 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.790 8.898 6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.550 10.949 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.257 11.343 5.956 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.993 9.811 8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.904 11.951 9.458 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.845 11.960 8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.410 12.807 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.973 10.609 9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.560 11.412 7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.425 9.638 8.049 1.00 0.00 H new ATOM 635 N ASP A 61 -5.794 9.304 3.528 1.00 0.00 N ATOM 636 CA ASP A 61 -5.755 9.403 2.074 1.00 0.00 C ATOM 637 C ASP A 61 -6.367 8.163 1.430 1.00 0.00 C ATOM 638 O ASP A 61 -7.160 8.264 0.493 1.00 0.00 O ATOM 639 CB ASP A 61 -4.316 9.585 1.591 1.00 0.00 C ATOM 640 CG ASP A 61 -3.854 11.027 1.676 1.00 0.00 C ATOM 641 OD1 ASP A 61 -4.588 11.915 1.193 1.00 0.00 O ATOM 642 OD2 ASP A 61 -2.759 11.267 2.226 1.00 0.00 O ATOM 0 H ASP A 61 -4.882 9.177 3.966 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.341 10.273 1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.653 8.959 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.236 9.241 0.560 1.00 0.00 H new ATOM 647 N GLY A 62 -5.996 6.993 1.942 1.00 0.00 N ATOM 648 CA GLY A 62 -6.517 5.750 1.406 1.00 0.00 C ATOM 649 C GLY A 62 -5.704 5.233 0.236 1.00 0.00 C ATOM 650 O GLY A 62 -6.036 5.489 -0.921 1.00 0.00 O ATOM 0 H GLY A 62 -5.344 6.885 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.532 4.997 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.549 5.900 1.088 1.00 0.00 H new ATOM 654 N THR A 63 -4.634 4.504 0.537 1.00 0.00 N ATOM 655 CA THR A 63 -3.771 3.949 -0.501 1.00 0.00 C ATOM 656 C THR A 63 -2.907 2.821 0.054 1.00 0.00 C ATOM 657 O THR A 63 -3.032 1.670 -0.360 1.00 0.00 O ATOM 658 CB THR A 63 -2.885 5.044 -1.096 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.430 6.326 -0.844 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.696 4.912 -2.592 1.00 0.00 C ATOM 0 H THR A 63 -4.344 4.284 1.490 1.00 0.00 H new ATOM 0 HA THR A 63 -4.406 3.540 -1.287 1.00 0.00 H new ATOM 0 HB THR A 63 -1.916 4.926 -0.610 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.463 6.838 -1.679 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.058 5.719 -2.951 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.229 3.953 -2.817 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.665 4.968 -3.088 1.00 0.00 H new ATOM 668 N VAL A 64 -2.030 3.160 0.995 1.00 0.00 N ATOM 669 CA VAL A 64 -1.146 2.176 1.604 1.00 0.00 C ATOM 670 C VAL A 64 -1.759 1.602 2.878 1.00 0.00 C ATOM 671 O VAL A 64 -2.319 2.333 3.694 1.00 0.00 O ATOM 672 CB VAL A 64 0.228 2.785 1.939 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.995 3.103 0.665 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.066 4.030 2.798 1.00 0.00 C ATOM 0 H VAL A 64 -1.914 4.109 1.351 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.012 1.377 0.875 1.00 0.00 H new ATOM 0 HB VAL A 64 0.801 2.053 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.964 3.533 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.144 2.188 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.428 3.817 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.048 4.446 3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.526 4.770 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.440 3.768 3.727 1.00 0.00 H new ATOM 684 N ALA A 65 -1.649 0.287 3.041 1.00 0.00 N ATOM 685 CA ALA A 65 -2.194 -0.385 4.214 1.00 0.00 C ATOM 686 C ALA A 65 -1.839 -1.870 4.211 1.00 0.00 C ATOM 687 O ALA A 65 -1.100 -2.339 3.346 1.00 0.00 O ATOM 688 CB ALA A 65 -3.703 -0.202 4.271 1.00 0.00 C ATOM 0 H ALA A 65 -1.188 -0.333 2.376 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.749 0.066 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.098 -0.709 5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.939 0.861 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.155 -0.627 3.375 1.00 0.00 H new ATOM 694 N ALA A 66 -2.368 -2.601 5.188 1.00 0.00 N ATOM 695 CA ALA A 66 -2.106 -4.033 5.302 1.00 0.00 C ATOM 696 C ALA A 66 -2.411 -4.757 3.993 1.00 0.00 C ATOM 697 O ALA A 66 -3.443 -4.519 3.367 1.00 0.00 O ATOM 698 CB ALA A 66 -2.926 -4.628 6.436 1.00 0.00 C ATOM 0 H ALA A 66 -2.981 -2.226 5.912 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.047 -4.166 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.722 -5.696 6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.658 -4.141 7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.987 -4.474 6.238 1.00 0.00 H new ATOM 704 N GLY A 67 -1.504 -5.639 3.586 1.00 0.00 N ATOM 705 CA GLY A 67 -1.694 -6.384 2.355 1.00 0.00 C ATOM 706 C GLY A 67 -0.847 -5.847 1.218 1.00 0.00 C ATOM 707 O GLY A 67 -0.391 -6.605 0.363 1.00 0.00 O ATOM 0 H GLY A 67 -0.641 -5.851 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.446 -7.432 2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.745 -6.347 2.070 1.00 0.00 H new ATOM 711 N ASP A 68 -0.635 -4.535 1.210 1.00 0.00 N ATOM 712 CA ASP A 68 0.165 -3.896 0.171 1.00 0.00 C ATOM 713 C ASP A 68 1.649 -4.176 0.379 1.00 0.00 C ATOM 714 O ASP A 68 2.174 -4.005 1.477 1.00 0.00 O ATOM 715 CB ASP A 68 -0.086 -2.388 0.159 1.00 0.00 C ATOM 716 CG ASP A 68 -1.562 -2.048 0.092 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.345 -2.893 -0.390 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.936 -0.936 0.522 1.00 0.00 O ATOM 0 H ASP A 68 -1.006 -3.894 1.911 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.133 -4.313 -0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.346 -1.943 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.425 -1.944 -0.695 1.00 0.00 H new ATOM 723 N GLU A 69 2.320 -4.608 -0.685 1.00 0.00 N ATOM 724 CA GLU A 69 3.743 -4.911 -0.618 1.00 0.00 C ATOM 725 C GLU A 69 4.578 -3.722 -1.084 1.00 0.00 C ATOM 726 O GLU A 69 4.613 -3.404 -2.272 1.00 0.00 O ATOM 727 CB GLU A 69 4.065 -6.140 -1.470 1.00 0.00 C ATOM 728 CG GLU A 69 5.527 -6.550 -1.419 1.00 0.00 C ATOM 729 CD GLU A 69 6.270 -6.225 -2.699 1.00 0.00 C ATOM 730 OE1 GLU A 69 5.633 -6.228 -3.773 1.00 0.00 O ATOM 731 OE2 GLU A 69 7.491 -5.969 -2.629 1.00 0.00 O ATOM 0 H GLU A 69 1.900 -4.755 -1.603 1.00 0.00 H new ATOM 0 HA GLU A 69 3.994 -5.121 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.450 -6.975 -1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.789 -5.937 -2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.013 -6.046 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.593 -7.621 -1.227 1.00 0.00 H new ATOM 738 N ILE A 70 5.247 -3.069 -0.140 1.00 0.00 N ATOM 739 CA ILE A 70 6.081 -1.915 -0.454 1.00 0.00 C ATOM 740 C ILE A 70 7.372 -2.346 -1.143 1.00 0.00 C ATOM 741 O ILE A 70 7.953 -3.377 -0.806 1.00 0.00 O ATOM 742 CB ILE A 70 6.425 -1.109 0.816 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.229 0.142 0.455 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.194 -1.974 1.803 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.595 0.992 1.652 1.00 0.00 C ATOM 0 H ILE A 70 5.228 -3.319 0.849 1.00 0.00 H new ATOM 0 HA ILE A 70 5.508 -1.280 -1.130 1.00 0.00 H new ATOM 0 HB ILE A 70 5.494 -0.794 1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.142 -0.159 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.652 0.745 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.429 -1.390 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.586 -2.834 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.119 -2.319 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.164 1.861 1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.686 1.323 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.199 0.405 2.344 1.00 0.00 H new ATOM 757 N THR A 71 7.815 -1.549 -2.111 1.00 0.00 N ATOM 758 CA THR A 71 9.036 -1.852 -2.848 1.00 0.00 C ATOM 759 C THR A 71 9.590 -0.602 -3.527 1.00 0.00 C ATOM 760 O THR A 71 10.017 -0.647 -4.681 1.00 0.00 O ATOM 761 CB THR A 71 8.771 -2.938 -3.891 1.00 0.00 C ATOM 762 OG1 THR A 71 9.940 -3.210 -4.643 1.00 0.00 O ATOM 763 CG2 THR A 71 7.672 -2.573 -4.865 1.00 0.00 C ATOM 0 H THR A 71 7.347 -0.691 -2.402 1.00 0.00 H new ATOM 0 HA THR A 71 9.778 -2.214 -2.136 1.00 0.00 H new ATOM 0 HB THR A 71 8.457 -3.814 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.280 -2.377 -5.031 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.534 -3.385 -5.579 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.743 -2.407 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.947 -1.664 -5.399 1.00 0.00 H new ATOM 771 N GLY A 72 9.579 0.513 -2.806 1.00 0.00 N ATOM 772 CA GLY A 72 10.082 1.758 -3.357 1.00 0.00 C ATOM 773 C GLY A 72 9.741 2.958 -2.494 1.00 0.00 C ATOM 774 O GLY A 72 8.797 2.915 -1.705 1.00 0.00 O ATOM 0 H GLY A 72 9.231 0.578 -1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.164 1.691 -3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.668 1.903 -4.355 1.00 0.00 H new ATOM 778 N VAL A 73 10.510 4.030 -2.645 1.00 0.00 N ATOM 779 CA VAL A 73 10.286 5.246 -1.875 1.00 0.00 C ATOM 780 C VAL A 73 10.997 6.438 -2.508 1.00 0.00 C ATOM 781 O VAL A 73 12.215 6.420 -2.694 1.00 0.00 O ATOM 782 CB VAL A 73 10.765 5.085 -0.418 1.00 0.00 C ATOM 783 CG1 VAL A 73 12.263 4.819 -0.372 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.408 6.315 0.405 1.00 0.00 C ATOM 0 H VAL A 73 11.295 4.081 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 73 9.211 5.428 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 73 10.254 4.226 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 73 12.581 4.708 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.487 3.904 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.795 5.654 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.755 6.181 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.886 7.194 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.327 6.453 0.403 1.00 0.00 H new ATOM 794 N ASN A 74 10.230 7.473 -2.837 1.00 0.00 N ATOM 795 CA ASN A 74 10.786 8.676 -3.449 1.00 0.00 C ATOM 796 C ASN A 74 11.545 8.339 -4.730 1.00 0.00 C ATOM 797 O ASN A 74 12.474 9.048 -5.116 1.00 0.00 O ATOM 798 CB ASN A 74 11.713 9.392 -2.463 1.00 0.00 C ATOM 799 CG ASN A 74 11.300 10.831 -2.221 1.00 0.00 C ATOM 800 OD1 ASN A 74 11.933 11.762 -2.719 1.00 0.00 O ATOM 801 ND2 ASN A 74 10.233 11.018 -1.453 1.00 0.00 N ATOM 0 H ASN A 74 9.221 7.503 -2.690 1.00 0.00 H new ATOM 0 HA ASN A 74 9.959 9.338 -3.706 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.716 8.854 -1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.733 9.369 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.907 11.964 -1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.739 10.216 -1.062 1.00 0.00 H new ATOM 808 N GLY A 75 11.145 7.251 -5.383 1.00 0.00 N ATOM 809 CA GLY A 75 11.799 6.842 -6.612 1.00 0.00 C ATOM 810 C GLY A 75 12.864 5.789 -6.378 1.00 0.00 C ATOM 811 O GLY A 75 13.129 4.960 -7.251 1.00 0.00 O ATOM 0 H GLY A 75 10.380 6.647 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.053 6.453 -7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.251 7.713 -7.087 1.00 0.00 H new ATOM 815 N ARG A 76 13.477 5.818 -5.200 1.00 0.00 N ATOM 816 CA ARG A 76 14.519 4.858 -4.855 1.00 0.00 C ATOM 817 C ARG A 76 13.944 3.450 -4.732 1.00 0.00 C ATOM 818 O ARG A 76 12.771 3.275 -4.400 1.00 0.00 O ATOM 819 CB ARG A 76 15.199 5.259 -3.545 1.00 0.00 C ATOM 820 CG ARG A 76 16.432 6.128 -3.741 1.00 0.00 C ATOM 821 CD ARG A 76 17.522 5.784 -2.738 1.00 0.00 C ATOM 822 NE ARG A 76 17.574 6.741 -1.637 1.00 0.00 N ATOM 823 CZ ARG A 76 18.619 6.883 -0.826 1.00 0.00 C ATOM 824 NH1 ARG A 76 19.701 6.132 -0.990 1.00 0.00 N ATOM 825 NH2 ARG A 76 18.584 7.779 0.151 1.00 0.00 N ATOM 0 H ARG A 76 13.270 6.497 -4.467 1.00 0.00 H new ATOM 0 HA ARG A 76 15.258 4.861 -5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.482 5.795 -2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.482 4.358 -3.002 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.813 5.997 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.159 7.178 -3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.347 4.784 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 76 18.487 5.761 -3.245 1.00 0.00 H new ATOM 0 HE ARG A 76 16.761 7.336 -1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 76 19.734 5.442 -1.741 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.500 6.245 -0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.756 8.360 0.281 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.385 7.887 0.773 1.00 0.00 H new ATOM 839 N SER A 77 14.777 2.451 -5.001 1.00 0.00 N ATOM 840 CA SER A 77 14.353 1.059 -4.919 1.00 0.00 C ATOM 841 C SER A 77 14.814 0.424 -3.610 1.00 0.00 C ATOM 842 O SER A 77 16.012 0.300 -3.358 1.00 0.00 O ATOM 843 CB SER A 77 14.902 0.265 -6.105 1.00 0.00 C ATOM 844 OG SER A 77 14.681 0.951 -7.326 1.00 0.00 O ATOM 0 H SER A 77 15.750 2.580 -5.278 1.00 0.00 H new ATOM 0 HA SER A 77 13.264 1.036 -4.949 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.970 0.094 -5.969 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.425 -0.714 -6.143 1.00 0.00 H new ATOM 0 HG SER A 77 15.043 0.423 -8.068 1.00 0.00 H new ATOM 850 N ILE A 78 13.854 0.025 -2.783 1.00 0.00 N ATOM 851 CA ILE A 78 14.162 -0.596 -1.500 1.00 0.00 C ATOM 852 C ILE A 78 14.251 -2.116 -1.620 1.00 0.00 C ATOM 853 O ILE A 78 14.284 -2.824 -0.612 1.00 0.00 O ATOM 854 CB ILE A 78 13.103 -0.238 -0.437 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.734 -0.796 -0.838 1.00 0.00 C ATOM 856 CG2 ILE A 78 13.033 1.271 -0.249 1.00 0.00 C ATOM 857 CD1 ILE A 78 11.388 -2.097 -0.148 1.00 0.00 C ATOM 0 H ILE A 78 12.857 0.120 -2.978 1.00 0.00 H new ATOM 0 HA ILE A 78 15.131 -0.207 -1.189 1.00 0.00 H new ATOM 0 HB ILE A 78 13.393 -0.691 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.967 -0.056 -0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.715 -0.950 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.282 1.509 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.004 1.642 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.763 1.743 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.406 -2.434 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.134 -2.851 -0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.375 -1.944 0.931 1.00 0.00 H new ATOM 869 N LYS A 79 14.286 -2.615 -2.853 1.00 0.00 N ATOM 870 CA LYS A 79 14.369 -4.053 -3.089 1.00 0.00 C ATOM 871 C LYS A 79 15.729 -4.595 -2.666 1.00 0.00 C ATOM 872 O LYS A 79 16.577 -4.899 -3.506 1.00 0.00 O ATOM 873 CB LYS A 79 14.116 -4.363 -4.566 1.00 0.00 C ATOM 874 CG LYS A 79 12.645 -4.338 -4.950 1.00 0.00 C ATOM 875 CD LYS A 79 12.464 -4.104 -6.442 1.00 0.00 C ATOM 876 CE LYS A 79 12.174 -5.402 -7.180 1.00 0.00 C ATOM 877 NZ LYS A 79 13.159 -5.654 -8.269 1.00 0.00 N ATOM 0 H LYS A 79 14.258 -2.048 -3.700 1.00 0.00 H new ATOM 0 HA LYS A 79 13.602 -4.541 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.655 -3.640 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.527 -5.346 -4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.178 -5.282 -4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.135 -3.552 -4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.646 -3.402 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.364 -3.645 -6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.192 -6.233 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.169 -5.364 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.927 -6.548 -8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.124 -4.874 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.115 -5.716 -7.865 1.00 0.00 H new ATOM 891 N GLY A 80 15.931 -4.718 -1.359 1.00 0.00 N ATOM 892 CA GLY A 80 17.191 -5.225 -0.847 1.00 0.00 C ATOM 893 C GLY A 80 17.694 -4.433 0.345 1.00 0.00 C ATOM 894 O GLY A 80 18.879 -4.108 0.426 1.00 0.00 O ATOM 0 H GLY A 80 15.245 -4.476 -0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.069 -6.269 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.939 -5.197 -1.639 1.00 0.00 H new ATOM 898 N LYS A 81 16.792 -4.122 1.270 1.00 0.00 N ATOM 899 CA LYS A 81 17.151 -3.364 2.462 1.00 0.00 C ATOM 900 C LYS A 81 16.442 -3.919 3.693 1.00 0.00 C ATOM 901 O LYS A 81 15.377 -4.529 3.586 1.00 0.00 O ATOM 902 CB LYS A 81 16.798 -1.887 2.278 1.00 0.00 C ATOM 903 CG LYS A 81 17.338 -1.288 0.989 1.00 0.00 C ATOM 904 CD LYS A 81 17.982 0.067 1.228 1.00 0.00 C ATOM 905 CE LYS A 81 17.671 1.039 0.103 1.00 0.00 C ATOM 906 NZ LYS A 81 18.308 2.367 0.322 1.00 0.00 N ATOM 0 H LYS A 81 15.807 -4.383 1.217 1.00 0.00 H new ATOM 0 HA LYS A 81 18.227 -3.457 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.714 -1.777 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.188 -1.321 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.069 -1.967 0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.527 -1.184 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.627 0.478 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 81 19.062 -0.053 1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.018 0.622 -0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.591 1.164 0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.382 2.870 -0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.729 2.925 0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.258 2.234 0.723 1.00 0.00 H new ATOM 920 N THR A 82 17.038 -3.705 4.862 1.00 0.00 N ATOM 921 CA THR A 82 16.463 -4.182 6.113 1.00 0.00 C ATOM 922 C THR A 82 15.309 -3.290 6.556 1.00 0.00 C ATOM 923 O THR A 82 15.214 -2.132 6.148 1.00 0.00 O ATOM 924 CB THR A 82 17.534 -4.232 7.204 1.00 0.00 C ATOM 925 OG1 THR A 82 18.804 -4.525 6.648 1.00 0.00 O ATOM 926 CG2 THR A 82 17.253 -5.263 8.275 1.00 0.00 C ATOM 0 H THR A 82 17.920 -3.204 4.968 1.00 0.00 H new ATOM 0 HA THR A 82 16.077 -5.188 5.947 1.00 0.00 H new ATOM 0 HB THR A 82 17.522 -3.244 7.663 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.475 -4.551 7.361 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.052 -5.245 9.016 1.00 0.00 H new ATOM 0 HG22 THR A 82 16.303 -5.035 8.759 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.201 -6.253 7.822 1.00 0.00 H new ATOM 934 N LYS A 83 14.434 -3.835 7.396 1.00 0.00 N ATOM 935 CA LYS A 83 13.286 -3.084 7.896 1.00 0.00 C ATOM 936 C LYS A 83 13.737 -1.831 8.640 1.00 0.00 C ATOM 937 O LYS A 83 13.038 -0.818 8.649 1.00 0.00 O ATOM 938 CB LYS A 83 12.437 -3.961 8.817 1.00 0.00 C ATOM 939 CG LYS A 83 13.198 -4.496 10.022 1.00 0.00 C ATOM 940 CD LYS A 83 12.406 -4.312 11.307 1.00 0.00 C ATOM 941 CE LYS A 83 12.548 -5.514 12.226 1.00 0.00 C ATOM 942 NZ LYS A 83 13.525 -5.266 13.323 1.00 0.00 N ATOM 0 H LYS A 83 14.497 -4.792 7.744 1.00 0.00 H new ATOM 0 HA LYS A 83 12.683 -2.779 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.580 -3.384 9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.044 -4.801 8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.416 -5.554 9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.156 -3.982 10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.751 -3.416 11.823 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.354 -4.158 11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.576 -5.759 12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.868 -6.379 11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.591 -6.111 13.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.459 -5.057 12.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.208 -4.457 13.894 1.00 0.00 H new ATOM 956 N VAL A 84 14.908 -1.908 9.261 1.00 0.00 N ATOM 957 CA VAL A 84 15.453 -0.780 10.006 1.00 0.00 C ATOM 958 C VAL A 84 15.946 0.310 9.061 1.00 0.00 C ATOM 959 O VAL A 84 15.776 1.500 9.327 1.00 0.00 O ATOM 960 CB VAL A 84 16.614 -1.215 10.919 1.00 0.00 C ATOM 961 CG1 VAL A 84 17.036 -0.072 11.829 1.00 0.00 C ATOM 962 CG2 VAL A 84 16.219 -2.437 11.735 1.00 0.00 C ATOM 0 H VAL A 84 15.498 -2.740 9.263 1.00 0.00 H new ATOM 0 HA VAL A 84 14.645 -0.388 10.624 1.00 0.00 H new ATOM 0 HB VAL A 84 17.465 -1.482 10.293 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.857 -0.399 12.467 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.361 0.774 11.224 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.192 0.229 12.450 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.051 -2.732 12.375 1.00 0.00 H new ATOM 0 HG22 VAL A 84 15.353 -2.198 12.352 1.00 0.00 H new ATOM 0 HG23 VAL A 84 15.970 -3.258 11.063 1.00 0.00 H new ATOM 972 N GLU A 85 16.555 -0.104 7.955 1.00 0.00 N ATOM 973 CA GLU A 85 17.071 0.837 6.968 1.00 0.00 C ATOM 974 C GLU A 85 15.929 1.567 6.270 1.00 0.00 C ATOM 975 O GLU A 85 15.900 2.796 6.224 1.00 0.00 O ATOM 976 CB GLU A 85 17.932 0.106 5.935 1.00 0.00 C ATOM 977 CG GLU A 85 19.355 -0.153 6.404 1.00 0.00 C ATOM 978 CD GLU A 85 20.264 1.042 6.186 1.00 0.00 C ATOM 979 OE1 GLU A 85 20.015 2.097 6.804 1.00 0.00 O ATOM 980 OE2 GLU A 85 21.226 0.918 5.399 1.00 0.00 O ATOM 0 H GLU A 85 16.703 -1.085 7.720 1.00 0.00 H new ATOM 0 HA GLU A 85 17.687 1.571 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.460 -0.845 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.962 0.694 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.344 -0.409 7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.759 -1.015 5.872 1.00 0.00 H new ATOM 987 N VAL A 86 14.987 0.799 5.727 1.00 0.00 N ATOM 988 CA VAL A 86 13.842 1.373 5.031 1.00 0.00 C ATOM 989 C VAL A 86 13.033 2.274 5.959 1.00 0.00 C ATOM 990 O VAL A 86 12.529 3.318 5.542 1.00 0.00 O ATOM 991 CB VAL A 86 12.919 0.278 4.462 1.00 0.00 C ATOM 992 CG1 VAL A 86 13.521 -0.323 3.201 1.00 0.00 C ATOM 993 CG2 VAL A 86 12.653 -0.802 5.505 1.00 0.00 C ATOM 0 H VAL A 86 14.995 -0.221 5.756 1.00 0.00 H new ATOM 0 HA VAL A 86 14.238 1.965 4.206 1.00 0.00 H new ATOM 0 HB VAL A 86 11.965 0.735 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.856 -1.095 2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.648 0.458 2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.490 -0.763 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.999 -1.564 5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.596 -1.259 5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.173 -0.356 6.376 1.00 0.00 H new ATOM 1003 N ALA A 87 12.915 1.866 7.219 1.00 0.00 N ATOM 1004 CA ALA A 87 12.170 2.639 8.204 1.00 0.00 C ATOM 1005 C ALA A 87 12.773 4.028 8.377 1.00 0.00 C ATOM 1006 O ALA A 87 12.073 5.037 8.282 1.00 0.00 O ATOM 1007 CB ALA A 87 12.138 1.904 9.537 1.00 0.00 C ATOM 0 H ALA A 87 13.326 1.005 7.581 1.00 0.00 H new ATOM 0 HA ALA A 87 11.148 2.757 7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.578 2.493 10.264 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.656 0.935 9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.157 1.757 9.896 1.00 0.00 H new ATOM 1013 N LYS A 88 14.078 4.072 8.629 1.00 0.00 N ATOM 1014 CA LYS A 88 14.778 5.337 8.813 1.00 0.00 C ATOM 1015 C LYS A 88 14.695 6.188 7.550 1.00 0.00 C ATOM 1016 O LYS A 88 14.669 7.416 7.617 1.00 0.00 O ATOM 1017 CB LYS A 88 16.242 5.086 9.181 1.00 0.00 C ATOM 1018 CG LYS A 88 16.540 5.288 10.659 1.00 0.00 C ATOM 1019 CD LYS A 88 16.921 3.983 11.337 1.00 0.00 C ATOM 1020 CE LYS A 88 17.198 4.184 12.818 1.00 0.00 C ATOM 1021 NZ LYS A 88 16.035 3.794 13.660 1.00 0.00 N ATOM 0 H LYS A 88 14.671 3.246 8.710 1.00 0.00 H new ATOM 0 HA LYS A 88 14.296 5.878 9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.509 4.067 8.901 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.875 5.754 8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.351 6.008 10.772 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.666 5.713 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.117 3.258 11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.804 3.565 10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.069 3.595 13.107 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.445 5.230 13.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.266 3.947 14.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.210 4.373 13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.815 2.790 13.504 1.00 0.00 H new ATOM 1035 N MET A 89 14.652 5.525 6.399 1.00 0.00 N ATOM 1036 CA MET A 89 14.570 6.219 5.120 1.00 0.00 C ATOM 1037 C MET A 89 13.306 7.069 5.044 1.00 0.00 C ATOM 1038 O MET A 89 13.364 8.260 4.741 1.00 0.00 O ATOM 1039 CB MET A 89 14.592 5.215 3.966 1.00 0.00 C ATOM 1040 CG MET A 89 14.937 5.839 2.622 1.00 0.00 C ATOM 1041 SD MET A 89 16.162 4.887 1.703 1.00 0.00 S ATOM 1042 CE MET A 89 15.110 3.714 0.851 1.00 0.00 C ATOM 0 H MET A 89 14.673 4.508 6.326 1.00 0.00 H new ATOM 0 HA MET A 89 15.436 6.876 5.036 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.317 4.432 4.190 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.616 4.735 3.894 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.030 5.928 2.024 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.314 6.849 2.782 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.609 2.746 0.803 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.169 3.611 1.391 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.911 4.071 -0.160 1.00 0.00 H new ATOM 1052 N ILE A 90 12.164 6.448 5.325 1.00 0.00 N ATOM 1053 CA ILE A 90 10.887 7.149 5.291 1.00 0.00 C ATOM 1054 C ILE A 90 10.851 8.272 6.323 1.00 0.00 C ATOM 1055 O ILE A 90 10.326 9.354 6.060 1.00 0.00 O ATOM 1056 CB ILE A 90 9.709 6.190 5.549 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.808 4.963 4.639 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.384 6.908 5.337 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.945 5.308 3.173 1.00 0.00 C ATOM 0 H ILE A 90 12.098 5.462 5.578 1.00 0.00 H new ATOM 0 HA ILE A 90 10.785 7.572 4.292 1.00 0.00 H new ATOM 0 HB ILE A 90 9.757 5.854 6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.665 4.362 4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.920 4.346 4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.562 6.217 5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.313 7.751 6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.327 7.271 4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.010 4.391 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.076 5.883 2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.848 5.900 3.021 1.00 0.00 H new ATOM 1071 N GLN A 91 11.415 8.006 7.496 1.00 0.00 N ATOM 1072 CA GLN A 91 11.451 8.993 8.568 1.00 0.00 C ATOM 1073 C GLN A 91 12.361 10.162 8.203 1.00 0.00 C ATOM 1074 O GLN A 91 12.168 11.282 8.677 1.00 0.00 O ATOM 1075 CB GLN A 91 11.929 8.347 9.869 1.00 0.00 C ATOM 1076 CG GLN A 91 10.821 7.659 10.649 1.00 0.00 C ATOM 1077 CD GLN A 91 11.291 7.138 11.994 1.00 0.00 C ATOM 1078 OE1 GLN A 91 12.492 7.015 12.239 1.00 0.00 O ATOM 1079 NE2 GLN A 91 10.345 6.828 12.873 1.00 0.00 N ATOM 0 H GLN A 91 11.854 7.115 7.728 1.00 0.00 H new ATOM 0 HA GLN A 91 10.440 9.374 8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.706 7.618 9.639 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.385 9.111 10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.000 8.360 10.802 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.428 6.831 10.060 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.362 6.946 12.627 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.601 6.472 13.794 1.00 0.00 H new ATOM 1088 N GLU A 92 13.352 9.894 7.359 1.00 0.00 N ATOM 1089 CA GLU A 92 14.292 10.925 6.932 1.00 0.00 C ATOM 1090 C GLU A 92 13.677 11.809 5.851 1.00 0.00 C ATOM 1091 O GLU A 92 13.929 13.013 5.804 1.00 0.00 O ATOM 1092 CB GLU A 92 15.581 10.286 6.411 1.00 0.00 C ATOM 1093 CG GLU A 92 16.508 9.801 7.514 1.00 0.00 C ATOM 1094 CD GLU A 92 17.939 10.264 7.320 1.00 0.00 C ATOM 1095 OE1 GLU A 92 18.155 11.487 7.189 1.00 0.00 O ATOM 1096 OE2 GLU A 92 18.844 9.403 7.298 1.00 0.00 O ATOM 0 H GLU A 92 13.525 8.973 6.957 1.00 0.00 H new ATOM 0 HA GLU A 92 14.526 11.547 7.796 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.325 9.445 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.112 11.010 5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.141 10.160 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.484 8.712 7.550 1.00 0.00 H new ATOM 1103 N VAL A 93 12.871 11.203 4.987 1.00 0.00 N ATOM 1104 CA VAL A 93 12.220 11.935 3.907 1.00 0.00 C ATOM 1105 C VAL A 93 11.344 13.057 4.453 1.00 0.00 C ATOM 1106 O VAL A 93 10.801 12.955 5.552 1.00 0.00 O ATOM 1107 CB VAL A 93 11.357 11.004 3.035 1.00 0.00 C ATOM 1108 CG1 VAL A 93 10.850 11.740 1.804 1.00 0.00 C ATOM 1109 CG2 VAL A 93 12.142 9.763 2.639 1.00 0.00 C ATOM 0 H VAL A 93 12.653 10.207 5.013 1.00 0.00 H new ATOM 0 HA VAL A 93 13.013 12.362 3.293 1.00 0.00 H new ATOM 0 HB VAL A 93 10.493 10.688 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.242 11.065 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.246 12.593 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.697 12.090 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.516 9.117 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.026 10.057 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.447 9.224 3.536 1.00 0.00 H new ATOM 1119 N LYS A 94 11.210 14.128 3.676 1.00 0.00 N ATOM 1120 CA LYS A 94 10.400 15.271 4.081 1.00 0.00 C ATOM 1121 C LYS A 94 9.420 15.661 2.980 1.00 0.00 C ATOM 1122 O LYS A 94 9.521 15.186 1.848 1.00 0.00 O ATOM 1123 CB LYS A 94 11.296 16.461 4.429 1.00 0.00 C ATOM 1124 CG LYS A 94 12.157 16.234 5.660 1.00 0.00 C ATOM 1125 CD LYS A 94 11.370 16.464 6.941 1.00 0.00 C ATOM 1126 CE LYS A 94 12.288 16.577 8.146 1.00 0.00 C ATOM 1127 NZ LYS A 94 12.375 15.296 8.899 1.00 0.00 N ATOM 0 H LYS A 94 11.652 14.228 2.762 1.00 0.00 H new ATOM 0 HA LYS A 94 9.830 14.985 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.942 16.679 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.672 17.340 4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.548 15.216 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.015 16.905 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.778 17.374 6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.670 15.642 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.284 16.873 7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.924 17.363 8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.011 15.415 9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.429 15.026 9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.747 14.551 8.275 1.00 0.00 H new ATOM 1141 N GLY A 95 8.473 16.530 3.317 1.00 0.00 N ATOM 1142 CA GLY A 95 7.490 16.970 2.344 1.00 0.00 C ATOM 1143 C GLY A 95 6.604 15.837 1.862 1.00 0.00 C ATOM 1144 O GLY A 95 6.233 14.957 2.638 1.00 0.00 O ATOM 0 H GLY A 95 8.369 16.937 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.870 17.750 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.002 17.415 1.491 1.00 0.00 H new ATOM 1148 N GLU A 96 6.267 15.858 0.577 1.00 0.00 N ATOM 1149 CA GLU A 96 5.420 14.826 -0.006 1.00 0.00 C ATOM 1150 C GLU A 96 6.222 13.560 -0.289 1.00 0.00 C ATOM 1151 O GLU A 96 6.888 13.451 -1.319 1.00 0.00 O ATOM 1152 CB GLU A 96 4.774 15.333 -1.298 1.00 0.00 C ATOM 1153 CG GLU A 96 5.776 15.845 -2.319 1.00 0.00 C ATOM 1154 CD GLU A 96 5.422 17.225 -2.842 1.00 0.00 C ATOM 1155 OE1 GLU A 96 4.826 18.014 -2.080 1.00 0.00 O ATOM 1156 OE2 GLU A 96 5.743 17.515 -4.014 1.00 0.00 O ATOM 0 H GLU A 96 6.568 16.578 -0.080 1.00 0.00 H new ATOM 0 HA GLU A 96 4.637 14.587 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.193 14.526 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.075 16.133 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.767 15.875 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.828 15.146 -3.154 1.00 0.00 H new ATOM 1163 N VAL A 97 6.153 12.605 0.632 1.00 0.00 N ATOM 1164 CA VAL A 97 6.871 11.345 0.485 1.00 0.00 C ATOM 1165 C VAL A 97 6.107 10.380 -0.416 1.00 0.00 C ATOM 1166 O VAL A 97 4.889 10.235 -0.296 1.00 0.00 O ATOM 1167 CB VAL A 97 7.114 10.677 1.853 1.00 0.00 C ATOM 1168 CG1 VAL A 97 5.794 10.362 2.540 1.00 0.00 C ATOM 1169 CG2 VAL A 97 7.955 9.418 1.694 1.00 0.00 C ATOM 0 H VAL A 97 5.606 12.680 1.490 1.00 0.00 H new ATOM 0 HA VAL A 97 7.833 11.577 0.028 1.00 0.00 H new ATOM 0 HB VAL A 97 7.665 11.376 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.989 9.891 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.234 11.285 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.212 9.684 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.115 8.962 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.436 8.713 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.917 9.677 1.252 1.00 0.00 H new ATOM 1179 N THR A 98 6.828 9.722 -1.318 1.00 0.00 N ATOM 1180 CA THR A 98 6.218 8.770 -2.238 1.00 0.00 C ATOM 1181 C THR A 98 6.653 7.345 -1.910 1.00 0.00 C ATOM 1182 O THR A 98 7.799 7.110 -1.525 1.00 0.00 O ATOM 1183 CB THR A 98 6.592 9.111 -3.681 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.481 10.504 -3.910 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.730 8.407 -4.705 1.00 0.00 C ATOM 0 H THR A 98 7.836 9.831 -1.431 1.00 0.00 H new ATOM 0 HA THR A 98 5.136 8.836 -2.127 1.00 0.00 H new ATOM 0 HB THR A 98 7.621 8.771 -3.802 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.726 10.704 -4.838 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.049 8.693 -5.707 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.831 7.328 -4.586 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.688 8.691 -4.561 1.00 0.00 H new ATOM 1193 N ILE A 99 5.733 6.399 -2.062 1.00 0.00 N ATOM 1194 CA ILE A 99 6.023 4.997 -1.781 1.00 0.00 C ATOM 1195 C ILE A 99 5.397 4.085 -2.831 1.00 0.00 C ATOM 1196 O ILE A 99 4.208 4.192 -3.132 1.00 0.00 O ATOM 1197 CB ILE A 99 5.510 4.589 -0.386 1.00 0.00 C ATOM 1198 CG1 ILE A 99 6.050 5.544 0.679 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.908 3.155 -0.070 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.302 6.858 0.751 1.00 0.00 C ATOM 0 H ILE A 99 4.780 6.577 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 99 7.107 4.884 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 99 4.422 4.650 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.002 5.055 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.102 5.745 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.538 2.884 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.478 2.485 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.994 3.067 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.740 7.484 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.371 7.369 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.255 6.668 0.986 1.00 0.00 H new ATOM 1212 N HIS A 100 6.207 3.187 -3.383 1.00 0.00 N ATOM 1213 CA HIS A 100 5.734 2.252 -4.398 1.00 0.00 C ATOM 1214 C HIS A 100 5.244 0.957 -3.758 1.00 0.00 C ATOM 1215 O HIS A 100 6.039 0.078 -3.424 1.00 0.00 O ATOM 1216 CB HIS A 100 6.847 1.948 -5.401 1.00 0.00 C ATOM 1217 CG HIS A 100 7.487 3.174 -5.977 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.358 3.538 -7.302 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.263 4.122 -5.403 1.00 0.00 C ATOM 1220 CE1 HIS A 100 8.028 4.657 -7.516 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.585 5.031 -6.380 1.00 0.00 N ATOM 0 H HIS A 100 7.194 3.087 -3.145 1.00 0.00 H new ATOM 0 HA HIS A 100 4.899 2.717 -4.923 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.612 1.345 -4.911 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.439 1.346 -6.213 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.828 3.024 -8.006 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.572 4.157 -4.369 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.106 5.176 -8.460 1.00 0.00 H new ATOM 1230 N TYR A 101 3.931 0.847 -3.586 1.00 0.00 N ATOM 1231 CA TYR A 101 3.337 -0.342 -2.983 1.00 0.00 C ATOM 1232 C TYR A 101 2.688 -1.227 -4.043 1.00 0.00 C ATOM 1233 O TYR A 101 2.476 -0.800 -5.178 1.00 0.00 O ATOM 1234 CB TYR A 101 2.300 0.059 -1.932 1.00 0.00 C ATOM 1235 CG TYR A 101 1.087 0.756 -2.509 1.00 0.00 C ATOM 1236 CD1 TYR A 101 1.102 2.121 -2.762 1.00 0.00 C ATOM 1237 CD2 TYR A 101 -0.071 0.047 -2.798 1.00 0.00 C ATOM 1238 CE1 TYR A 101 -0.004 2.761 -3.291 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -1.181 0.678 -3.328 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.142 2.035 -3.571 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.245 2.668 -4.098 1.00 0.00 O ATOM 0 H TYR A 101 3.258 1.565 -3.855 1.00 0.00 H new ATOM 0 HA TYR A 101 4.133 -0.910 -2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.975 -0.833 -1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.772 0.716 -1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 101 1.992 2.692 -2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.105 -1.015 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.024 3.823 -3.484 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.073 0.112 -3.550 1.00 0.00 H new ATOM 0 HH TYR A 101 -3.045 2.401 -3.599 1.00 0.00 H new ATOM 1251 N ASN A 102 2.375 -2.461 -3.664 1.00 0.00 N ATOM 1252 CA ASN A 102 1.749 -3.407 -4.579 1.00 0.00 C ATOM 1253 C ASN A 102 0.487 -4.005 -3.963 1.00 0.00 C ATOM 1254 O ASN A 102 0.555 -4.747 -2.984 1.00 0.00 O ATOM 1255 CB ASN A 102 2.730 -4.522 -4.945 1.00 0.00 C ATOM 1256 CG ASN A 102 3.708 -4.100 -6.023 1.00 0.00 C ATOM 1257 OD1 ASN A 102 3.627 -4.554 -7.164 1.00 0.00 O ATOM 1258 ND2 ASN A 102 4.641 -3.226 -5.666 1.00 0.00 N ATOM 0 H ASN A 102 2.545 -2.830 -2.728 1.00 0.00 H new ATOM 0 HA ASN A 102 1.470 -2.868 -5.484 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.282 -4.823 -4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.173 -5.395 -5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.327 -2.905 -6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.672 -2.875 -4.709 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.661 -3.676 -4.545 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.939 -4.178 -4.052 1.00 0.00 C ATOM 1267 C LYS A 103 -2.086 -5.670 -4.343 1.00 0.00 C ATOM 1268 O LYS A 103 -1.795 -6.128 -5.448 1.00 0.00 O ATOM 1269 CB LYS A 103 -3.095 -3.407 -4.691 1.00 0.00 C ATOM 1270 CG LYS A 103 -4.432 -3.636 -4.004 1.00 0.00 C ATOM 1271 CD LYS A 103 -4.960 -2.360 -3.367 1.00 0.00 C ATOM 1272 CE LYS A 103 -6.468 -2.244 -3.519 1.00 0.00 C ATOM 1273 NZ LYS A 103 -6.989 -0.969 -2.952 1.00 0.00 N ATOM 0 H LYS A 103 -0.733 -3.064 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.966 -4.031 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.864 -2.342 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.180 -3.697 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.156 -4.007 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.322 -4.406 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.698 -2.345 -2.309 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.479 -1.497 -3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.732 -2.306 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.949 -3.086 -3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.021 -0.930 -3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.760 -0.921 -1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.550 -0.165 -3.445 1.00 0.00 H new ATOM 1287 N LEU A 104 -2.541 -6.421 -3.346 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.729 -7.858 -3.495 1.00 0.00 C ATOM 1289 C LEU A 104 -4.106 -8.282 -2.993 1.00 0.00 C ATOM 1290 O LEU A 104 -4.750 -7.558 -2.234 1.00 0.00 O ATOM 1291 CB LEU A 104 -1.642 -8.619 -2.734 1.00 0.00 C ATOM 1292 CG LEU A 104 -0.309 -8.762 -3.476 1.00 0.00 C ATOM 1293 CD1 LEU A 104 0.738 -7.832 -2.881 1.00 0.00 C ATOM 1294 CD2 LEU A 104 0.173 -10.206 -3.436 1.00 0.00 C ATOM 0 H LEU A 104 -2.786 -6.057 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.657 -8.099 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.460 -8.112 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.016 -9.615 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.465 -8.480 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.677 -7.948 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.397 -6.800 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.891 -8.080 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.121 -10.288 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.310 -10.515 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.567 -10.850 -3.912 1.00 0.00 H new ATOM 1307 N GLU B 121 8.463 -7.751 14.416 1.00 0.00 N ATOM 1308 CA GLU B 121 8.462 -6.381 14.915 1.00 0.00 C ATOM 1309 C GLU B 121 8.094 -5.399 13.808 1.00 0.00 C ATOM 1310 O GLU B 121 8.879 -5.161 12.890 1.00 0.00 O ATOM 1311 CB GLU B 121 9.832 -6.027 15.494 1.00 0.00 C ATOM 1312 CG GLU B 121 9.805 -4.840 16.442 1.00 0.00 C ATOM 1313 CD GLU B 121 10.957 -4.855 17.427 1.00 0.00 C ATOM 1314 OE1 GLU B 121 10.941 -5.700 18.346 1.00 0.00 O ATOM 1315 OE2 GLU B 121 11.875 -4.019 17.281 1.00 0.00 O ATOM 0 HA GLU B 121 7.713 -6.308 15.703 1.00 0.00 H new ATOM 0 HB2 GLU B 121 10.229 -6.894 16.022 1.00 0.00 H new ATOM 0 HB3 GLU B 121 10.518 -5.811 14.675 1.00 0.00 H new ATOM 0 HG2 GLU B 121 9.838 -3.917 15.864 1.00 0.00 H new ATOM 0 HG3 GLU B 121 8.863 -4.839 16.990 1.00 0.00 H new ATOM 1322 N SER B 122 6.895 -4.833 13.900 1.00 0.00 N ATOM 1323 CA SER B 122 6.424 -3.876 12.905 1.00 0.00 C ATOM 1324 C SER B 122 6.917 -2.469 13.226 1.00 0.00 C ATOM 1325 O SER B 122 6.504 -1.867 14.218 1.00 0.00 O ATOM 1326 CB SER B 122 4.895 -3.891 12.836 1.00 0.00 C ATOM 1327 OG SER B 122 4.375 -5.111 13.338 1.00 0.00 O ATOM 0 H SER B 122 6.232 -5.020 14.653 1.00 0.00 H new ATOM 0 HA SER B 122 6.827 -4.170 11.936 1.00 0.00 H new ATOM 0 HB2 SER B 122 4.493 -3.057 13.411 1.00 0.00 H new ATOM 0 HB3 SER B 122 4.573 -3.752 11.804 1.00 0.00 H new ATOM 0 HG SER B 122 3.397 -5.096 13.285 1.00 0.00 H new ATOM 1333 N VAL B 123 7.801 -1.950 12.381 1.00 0.00 N ATOM 1334 CA VAL B 123 8.350 -0.614 12.574 1.00 0.00 C ATOM 1335 C VAL B 123 7.415 0.452 12.014 1.00 0.00 C ATOM 1336 O VAL B 123 7.215 0.541 10.803 1.00 0.00 O ATOM 1337 CB VAL B 123 9.730 -0.472 11.903 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.373 0.855 12.276 1.00 0.00 C ATOM 1339 CG2 VAL B 123 10.632 -1.636 12.286 1.00 0.00 C ATOM 0 H VAL B 123 8.153 -2.435 11.555 1.00 0.00 H new ATOM 0 HA VAL B 123 8.459 -0.470 13.649 1.00 0.00 H new ATOM 0 HB VAL B 123 9.591 -0.490 10.822 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.346 0.936 11.792 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.734 1.674 11.946 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.500 0.907 13.357 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.602 -1.519 11.803 1.00 0.00 H new ATOM 0 HG22 VAL B 123 10.765 -1.653 13.368 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.176 -2.572 11.962 1.00 0.00 H new ATOM 1349 N LYS B 124 6.845 1.258 12.903 1.00 0.00 N ATOM 1350 CA LYS B 124 5.929 2.319 12.497 1.00 0.00 C ATOM 1351 C LYS B 124 6.693 3.593 12.154 1.00 0.00 C ATOM 1352 O LYS B 124 7.490 4.085 12.953 1.00 0.00 O ATOM 1353 CB LYS B 124 4.914 2.597 13.606 1.00 0.00 C ATOM 1354 CG LYS B 124 3.490 2.769 13.101 1.00 0.00 C ATOM 1355 CD LYS B 124 3.330 4.061 12.316 1.00 0.00 C ATOM 1356 CE LYS B 124 3.106 5.250 13.239 1.00 0.00 C ATOM 1357 NZ LYS B 124 4.342 6.061 13.409 1.00 0.00 N ATOM 0 H LYS B 124 7.001 1.197 13.909 1.00 0.00 H new ATOM 0 HA LYS B 124 5.397 1.987 11.606 1.00 0.00 H new ATOM 0 HB2 LYS B 124 4.939 1.777 14.324 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.212 3.498 14.142 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.222 1.922 12.469 1.00 0.00 H new ATOM 0 HG3 LYS B 124 2.801 2.767 13.945 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.220 4.232 11.710 1.00 0.00 H new ATOM 0 HD3 LYS B 124 2.489 3.969 11.629 1.00 0.00 H new ATOM 0 HE2 LYS B 124 2.312 5.878 12.835 1.00 0.00 H new ATOM 0 HE3 LYS B 124 2.768 4.895 14.213 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 4.086 7.032 13.680 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 4.934 5.639 14.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 4.871 6.079 12.514 1.00 0.00 H new ATOM 1371 N ILE B 125 6.445 4.125 10.962 1.00 0.00 N ATOM 1372 CA ILE B 125 7.110 5.342 10.514 1.00 0.00 C ATOM 1373 C ILE B 125 6.176 6.196 9.663 1.00 0.00 C ATOM 1374 O ILE B 125 4.957 5.919 9.662 1.00 0.00 O ATOM 1375 CB ILE B 125 8.381 5.026 9.701 1.00 0.00 C ATOM 1376 CG1 ILE B 125 8.094 3.952 8.651 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.504 4.583 10.627 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.518 4.503 7.365 1.00 0.00 C ATOM 1379 OXT ILE B 125 6.670 7.136 9.005 1.00 0.00 O ATOM 0 H ILE B 125 5.788 3.732 10.289 1.00 0.00 H new ATOM 0 HA ILE B 125 7.391 5.895 11.410 1.00 0.00 H new ATOM 0 HB ILE B 125 8.696 5.933 9.184 1.00 0.00 H new ATOM 0 HG12 ILE B 125 9.018 3.419 8.427 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.399 3.224 9.068 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.395 4.363 10.039 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.725 5.379 11.337 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.197 3.688 11.169 1.00 0.00 H new ATOM 0 HD11 ILE B 125 7.340 3.685 6.667 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.577 5.012 7.576 1.00 0.00 H new ATOM 0 HD13 ILE B 125 8.222 5.209 6.924 1.00 0.00 H new