USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 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 74 ASN : amide:sc= -0.357 K(o=0.95,f=-4.7!) USER MOD Set 1.2: A 98 THR OG1 : rot 78:sc= 1.31 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= 0.562 (180deg=-2.43) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -3.46 K(o=-3.5,f=-4.3) USER MOD Single : A 36 SER OG : rot -175:sc= -2 USER MOD Single : A 48 TYR OH : rot 130:sc= -0.0359 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.12 F(o=-0.79,f=-0.12) USER MOD Single : A 56 THR OG1 : rot -81:sc= 1.13 USER MOD Single : A 63 THR OG1 : rot -42:sc= -0.123! USER MOD Single : A 71 THR OG1 : rot -53:sc= 0.235 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 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 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 89 MET CE :methyl -167:sc= -2.74! (180deg=-2.81!) USER MOD Single : A 91 GLN :FLIP amide:sc= -1.01 F(o=-1.8,f=-1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -2.37 K(o=-2.4,f=-3!) USER MOD Single : A 101 TYR OH : rot 180:sc= -0.237 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 150:sc= -0.56 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 19 -0.003 -5.673 -8.690 1.00 0.00 N ATOM 16 CA VAL A 19 -0.425 -4.359 -9.163 1.00 0.00 C ATOM 17 C VAL A 19 0.483 -3.260 -8.616 1.00 0.00 C ATOM 18 O VAL A 19 0.240 -2.725 -7.536 1.00 0.00 O ATOM 19 CB VAL A 19 -1.879 -4.056 -8.757 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.364 -2.778 -9.422 1.00 0.00 C ATOM 21 CG2 VAL A 19 -2.787 -5.225 -9.107 1.00 0.00 C ATOM 0 HA VAL A 19 -0.356 -4.377 -10.251 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.912 -3.911 -7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.393 -2.580 -9.123 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.731 -1.945 -9.115 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.316 -2.891 -10.505 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.810 -4.992 -8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.751 -5.405 -10.181 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.452 -6.117 -8.578 1.00 0.00 H new ATOM 31 N PRO A 20 1.547 -2.907 -9.359 1.00 0.00 N ATOM 32 CA PRO A 20 2.491 -1.866 -8.941 1.00 0.00 C ATOM 33 C PRO A 20 1.864 -0.475 -8.958 1.00 0.00 C ATOM 34 O PRO A 20 1.398 -0.006 -9.995 1.00 0.00 O ATOM 35 CB PRO A 20 3.613 -1.960 -9.978 1.00 0.00 C ATOM 36 CG PRO A 20 2.969 -2.557 -11.180 1.00 0.00 C ATOM 37 CD PRO A 20 1.913 -3.494 -10.662 1.00 0.00 C ATOM 0 HA PRO A 20 2.830 -2.014 -7.916 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.031 -0.978 -10.199 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.433 -2.581 -9.619 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.530 -1.785 -11.811 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.699 -3.090 -11.789 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.057 -3.546 -11.334 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.295 -4.509 -10.553 1.00 0.00 H new ATOM 45 N GLY A 21 1.860 0.179 -7.801 1.00 0.00 N ATOM 46 CA GLY A 21 1.289 1.511 -7.704 1.00 0.00 C ATOM 47 C GLY A 21 2.133 2.442 -6.854 1.00 0.00 C ATOM 48 O GLY A 21 2.771 2.009 -5.895 1.00 0.00 O ATOM 0 H GLY A 21 2.241 -0.189 -6.929 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.184 1.932 -8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.287 1.444 -7.279 1.00 0.00 H new ATOM 52 N LYS A 22 2.139 3.722 -7.210 1.00 0.00 N ATOM 53 CA LYS A 22 2.912 4.716 -6.474 1.00 0.00 C ATOM 54 C LYS A 22 2.031 5.880 -6.038 1.00 0.00 C ATOM 55 O LYS A 22 1.498 6.614 -6.871 1.00 0.00 O ATOM 56 CB LYS A 22 4.069 5.230 -7.334 1.00 0.00 C ATOM 57 CG LYS A 22 3.627 5.780 -8.681 1.00 0.00 C ATOM 58 CD LYS A 22 3.823 7.287 -8.763 1.00 0.00 C ATOM 59 CE LYS A 22 3.441 7.825 -10.133 1.00 0.00 C ATOM 60 NZ LYS A 22 4.400 8.860 -10.608 1.00 0.00 N ATOM 0 H LYS A 22 1.618 4.096 -8.003 1.00 0.00 H new ATOM 0 HA LYS A 22 3.315 4.237 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.598 6.011 -6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.778 4.419 -7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.193 5.295 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.577 5.540 -8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.220 7.776 -7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.864 7.532 -8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.408 7.004 -10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.439 8.251 -10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.106 9.202 -11.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.413 9.655 -9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.352 8.447 -10.674 1.00 0.00 H new ATOM 74 N VAL A 23 1.885 6.046 -4.728 1.00 0.00 N ATOM 75 CA VAL A 23 1.070 7.123 -4.180 1.00 0.00 C ATOM 76 C VAL A 23 1.940 8.178 -3.503 1.00 0.00 C ATOM 77 O VAL A 23 2.764 7.859 -2.646 1.00 0.00 O ATOM 78 CB VAL A 23 0.038 6.587 -3.166 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.736 5.946 -1.975 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.895 7.699 -2.711 1.00 0.00 C ATOM 0 H VAL A 23 2.321 5.448 -4.026 1.00 0.00 H new ATOM 0 HA VAL A 23 0.539 7.578 -5.016 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.561 5.822 -3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.010 5.575 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.355 5.117 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.364 6.686 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.615 7.300 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.314 8.490 -2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.425 8.104 -3.573 1.00 0.00 H new ATOM 90 N THR A 24 1.750 9.433 -3.894 1.00 0.00 N ATOM 91 CA THR A 24 2.520 10.535 -3.326 1.00 0.00 C ATOM 92 C THR A 24 1.870 11.050 -2.046 1.00 0.00 C ATOM 93 O THR A 24 1.102 12.013 -2.071 1.00 0.00 O ATOM 94 CB THR A 24 2.645 11.671 -4.341 1.00 0.00 C ATOM 95 OG1 THR A 24 3.120 11.185 -5.583 1.00 0.00 O ATOM 96 CG2 THR A 24 3.580 12.775 -3.893 1.00 0.00 C ATOM 0 H THR A 24 1.070 9.713 -4.601 1.00 0.00 H new ATOM 0 HA THR A 24 3.515 10.163 -3.082 1.00 0.00 H new ATOM 0 HB THR A 24 1.640 12.083 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.191 11.927 -6.219 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.623 13.549 -4.659 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.214 13.207 -2.962 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.578 12.365 -3.735 1.00 0.00 H new ATOM 104 N LEU A 25 2.184 10.405 -0.928 1.00 0.00 N ATOM 105 CA LEU A 25 1.634 10.799 0.364 1.00 0.00 C ATOM 106 C LEU A 25 2.427 11.956 0.958 1.00 0.00 C ATOM 107 O LEU A 25 3.489 12.315 0.454 1.00 0.00 O ATOM 108 CB LEU A 25 1.640 9.611 1.329 1.00 0.00 C ATOM 109 CG LEU A 25 0.853 8.388 0.856 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.550 7.106 1.284 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.569 8.430 1.395 1.00 0.00 C ATOM 0 H LEU A 25 2.817 9.606 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 25 0.606 11.126 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.673 9.313 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.233 9.938 2.286 1.00 0.00 H new ATOM 0 HG LEU A 25 0.809 8.406 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.975 6.247 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.549 7.073 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.626 7.079 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.115 7.553 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.545 8.436 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.067 9.331 1.038 1.00 0.00 H new ATOM 123 N GLN A 26 1.905 12.538 2.034 1.00 0.00 N ATOM 124 CA GLN A 26 2.570 13.655 2.693 1.00 0.00 C ATOM 125 C GLN A 26 2.936 13.298 4.130 1.00 0.00 C ATOM 126 O GLN A 26 2.244 12.517 4.782 1.00 0.00 O ATOM 127 CB GLN A 26 1.671 14.894 2.675 1.00 0.00 C ATOM 128 CG GLN A 26 1.898 15.794 1.472 1.00 0.00 C ATOM 129 CD GLN A 26 0.656 16.568 1.080 1.00 0.00 C ATOM 130 OE1 GLN A 26 -0.194 16.866 1.920 1.00 0.00 O ATOM 131 NE2 GLN A 26 0.543 16.898 -0.201 1.00 0.00 N ATOM 0 H GLN A 26 1.026 12.255 2.466 1.00 0.00 H new ATOM 0 HA GLN A 26 3.488 13.873 2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.628 14.576 2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.841 15.469 3.585 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.703 16.495 1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.226 15.189 0.627 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.272 16.630 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.272 17.419 -0.523 1.00 0.00 H new ATOM 140 N LYS A 27 4.031 13.875 4.616 1.00 0.00 N ATOM 141 CA LYS A 27 4.491 13.616 5.976 1.00 0.00 C ATOM 142 C LYS A 27 3.592 14.307 6.995 1.00 0.00 C ATOM 143 O LYS A 27 2.886 15.263 6.671 1.00 0.00 O ATOM 144 CB LYS A 27 5.934 14.093 6.146 1.00 0.00 C ATOM 145 CG LYS A 27 6.963 13.137 5.567 1.00 0.00 C ATOM 146 CD LYS A 27 7.074 11.869 6.398 1.00 0.00 C ATOM 147 CE LYS A 27 7.638 10.718 5.583 1.00 0.00 C ATOM 148 NZ LYS A 27 8.932 11.075 4.939 1.00 0.00 N ATOM 0 H LYS A 27 4.615 14.524 4.089 1.00 0.00 H new ATOM 0 HA LYS A 27 4.447 12.541 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.045 15.066 5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.138 14.234 7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.688 12.880 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.934 13.630 5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.714 12.053 7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.091 11.597 6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.781 9.852 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.919 10.429 4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.787 11.206 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.294 11.958 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.620 10.311 5.096 1.00 0.00 H new ATOM 162 N ASP A 28 3.622 13.817 8.230 1.00 0.00 N ATOM 163 CA ASP A 28 2.811 14.385 9.299 1.00 0.00 C ATOM 164 C ASP A 28 3.607 15.412 10.098 1.00 0.00 C ATOM 165 O ASP A 28 4.726 15.770 9.728 1.00 0.00 O ATOM 166 CB ASP A 28 2.306 13.281 10.229 1.00 0.00 C ATOM 167 CG ASP A 28 0.888 13.527 10.703 1.00 0.00 C ATOM 168 OD1 ASP A 28 0.073 14.033 9.903 1.00 0.00 O ATOM 169 OD2 ASP A 28 0.590 13.213 11.876 1.00 0.00 O ATOM 0 H ASP A 28 4.200 13.027 8.515 1.00 0.00 H new ATOM 0 HA ASP A 28 1.956 14.886 8.844 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.351 12.324 9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.967 13.207 11.093 1.00 0.00 H new ATOM 174 N ALA A 29 3.023 15.884 11.193 1.00 0.00 N ATOM 175 CA ALA A 29 3.678 16.871 12.045 1.00 0.00 C ATOM 176 C ALA A 29 4.955 16.305 12.660 1.00 0.00 C ATOM 177 O ALA A 29 5.892 17.046 12.955 1.00 0.00 O ATOM 178 CB ALA A 29 2.727 17.340 13.135 1.00 0.00 C ATOM 0 H ALA A 29 2.097 15.600 11.512 1.00 0.00 H new ATOM 0 HA ALA A 29 3.953 17.725 11.426 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.228 18.076 13.763 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.846 17.792 12.679 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.424 16.489 13.745 1.00 0.00 H new ATOM 184 N GLN A 30 4.984 14.991 12.850 1.00 0.00 N ATOM 185 CA GLN A 30 6.145 14.328 13.431 1.00 0.00 C ATOM 186 C GLN A 30 6.936 13.577 12.364 1.00 0.00 C ATOM 187 O GLN A 30 7.502 12.516 12.630 1.00 0.00 O ATOM 188 CB GLN A 30 5.710 13.363 14.535 1.00 0.00 C ATOM 189 CG GLN A 30 4.820 12.233 14.042 1.00 0.00 C ATOM 190 CD GLN A 30 3.821 11.779 15.088 1.00 0.00 C ATOM 191 OE1 GLN A 30 4.072 10.829 15.831 1.00 0.00 O ATOM 192 NE2 GLN A 30 2.681 12.457 15.152 1.00 0.00 N ATOM 0 H GLN A 30 4.216 14.364 12.610 1.00 0.00 H new ATOM 0 HA GLN A 30 6.790 15.094 13.862 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.597 12.937 15.004 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.179 13.922 15.306 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.284 12.560 13.151 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.442 11.388 13.748 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.515 13.237 14.516 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.971 12.197 15.837 1.00 0.00 H new ATOM 201 N ASN A 31 6.969 14.135 11.156 1.00 0.00 N ATOM 202 CA ASN A 31 7.689 13.528 10.035 1.00 0.00 C ATOM 203 C ASN A 31 7.437 12.023 9.961 1.00 0.00 C ATOM 204 O ASN A 31 8.357 11.241 9.718 1.00 0.00 O ATOM 205 CB ASN A 31 9.190 13.805 10.153 1.00 0.00 C ATOM 206 CG ASN A 31 9.812 13.142 11.368 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.777 13.685 12.472 1.00 0.00 O ATOM 208 ND2 ASN A 31 10.389 11.964 11.166 1.00 0.00 N ATOM 0 H ASN A 31 6.503 15.012 10.926 1.00 0.00 H new ATOM 0 HA ASN A 31 7.314 13.979 9.116 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.693 13.451 9.253 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.354 14.881 10.207 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.828 11.471 11.944 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.394 11.552 10.233 1.00 0.00 H new ATOM 215 N LEU A 32 6.187 11.626 10.170 1.00 0.00 N ATOM 216 CA LEU A 32 5.815 10.216 10.125 1.00 0.00 C ATOM 217 C LEU A 32 4.447 10.034 9.475 1.00 0.00 C ATOM 218 O LEU A 32 3.418 10.341 10.077 1.00 0.00 O ATOM 219 CB LEU A 32 5.806 9.625 11.536 1.00 0.00 C ATOM 220 CG LEU A 32 7.178 9.520 12.205 1.00 0.00 C ATOM 221 CD1 LEU A 32 7.031 9.470 13.717 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.923 8.295 11.698 1.00 0.00 C ATOM 0 H LEU A 32 5.414 12.260 10.372 1.00 0.00 H new ATOM 0 HA LEU A 32 6.555 9.689 9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.158 10.236 12.165 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.363 8.630 11.494 1.00 0.00 H new ATOM 0 HG LEU A 32 7.758 10.406 11.947 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.017 9.395 14.176 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.536 10.377 14.065 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.434 8.602 13.996 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.897 8.235 12.184 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.347 7.398 11.927 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.059 8.373 10.619 1.00 0.00 H new ATOM 234 N ILE A 33 4.443 9.537 8.243 1.00 0.00 N ATOM 235 CA ILE A 33 3.199 9.316 7.513 1.00 0.00 C ATOM 236 C ILE A 33 2.284 8.359 8.268 1.00 0.00 C ATOM 237 O ILE A 33 1.063 8.510 8.250 1.00 0.00 O ATOM 238 CB ILE A 33 3.465 8.757 6.102 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.386 7.537 6.175 1.00 0.00 C ATOM 240 CG2 ILE A 33 4.070 9.830 5.211 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.502 6.789 4.865 1.00 0.00 C ATOM 0 H ILE A 33 5.286 9.280 7.729 1.00 0.00 H new ATOM 0 HA ILE A 33 2.708 10.285 7.421 1.00 0.00 H new ATOM 0 HB ILE A 33 2.515 8.445 5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.379 7.859 6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.014 6.857 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.252 9.419 4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.381 10.671 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.012 10.171 5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.170 5.937 4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.517 6.436 4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.903 7.454 4.100 1.00 0.00 H new ATOM 253 N GLY A 34 2.882 7.377 8.935 1.00 0.00 N ATOM 254 CA GLY A 34 2.103 6.413 9.691 1.00 0.00 C ATOM 255 C GLY A 34 1.813 5.148 8.909 1.00 0.00 C ATOM 256 O GLY A 34 0.767 5.030 8.273 1.00 0.00 O ATOM 0 H GLY A 34 3.891 7.231 8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.640 6.155 10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.161 6.871 9.994 1.00 0.00 H new ATOM 260 N ILE A 35 2.737 4.196 8.966 1.00 0.00 N ATOM 261 CA ILE A 35 2.576 2.926 8.266 1.00 0.00 C ATOM 262 C ILE A 35 3.508 1.865 8.840 1.00 0.00 C ATOM 263 O ILE A 35 4.727 2.043 8.867 1.00 0.00 O ATOM 264 CB ILE A 35 2.848 3.066 6.755 1.00 0.00 C ATOM 265 CG1 ILE A 35 4.141 3.845 6.514 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.676 3.746 6.063 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.760 3.581 5.157 1.00 0.00 C ATOM 0 H ILE A 35 3.608 4.279 9.491 1.00 0.00 H new ATOM 0 HA ILE A 35 1.540 2.620 8.409 1.00 0.00 H new ATOM 0 HB ILE A 35 2.964 2.068 6.331 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.937 4.911 6.610 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.862 3.587 7.290 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.885 3.836 4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.774 3.151 6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.528 4.738 6.489 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.674 4.166 5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.996 2.521 5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.057 3.866 4.375 1.00 0.00 H new ATOM 279 N SER A 36 2.929 0.761 9.300 1.00 0.00 N ATOM 280 CA SER A 36 3.711 -0.328 9.874 1.00 0.00 C ATOM 281 C SER A 36 4.205 -1.274 8.783 1.00 0.00 C ATOM 282 O SER A 36 3.477 -1.580 7.838 1.00 0.00 O ATOM 283 CB SER A 36 2.876 -1.099 10.898 1.00 0.00 C ATOM 284 OG SER A 36 3.472 -2.348 11.203 1.00 0.00 O ATOM 0 H SER A 36 1.922 0.597 9.287 1.00 0.00 H new ATOM 0 HA SER A 36 4.577 0.103 10.376 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.775 -0.508 11.809 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.871 -1.257 10.507 1.00 0.00 H new ATOM 0 HG SER A 36 2.882 -2.855 11.799 1.00 0.00 H new ATOM 290 N ILE A 37 5.443 -1.730 8.920 1.00 0.00 N ATOM 291 CA ILE A 37 6.035 -2.640 7.947 1.00 0.00 C ATOM 292 C ILE A 37 6.761 -3.789 8.637 1.00 0.00 C ATOM 293 O ILE A 37 6.908 -3.798 9.858 1.00 0.00 O ATOM 294 CB ILE A 37 7.022 -1.905 7.018 1.00 0.00 C ATOM 295 CG1 ILE A 37 8.073 -1.158 7.842 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.274 -0.945 6.105 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.373 -1.916 7.994 1.00 0.00 C ATOM 0 H ILE A 37 6.058 -1.485 9.696 1.00 0.00 H new ATOM 0 HA ILE A 37 5.216 -3.040 7.350 1.00 0.00 H new ATOM 0 HB ILE A 37 7.532 -2.642 6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.276 -0.196 7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.666 -0.949 8.831 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.984 -0.433 5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.561 -1.502 5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.740 -0.211 6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.070 -1.327 8.589 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.184 -2.867 8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.803 -2.102 7.010 1.00 0.00 H new ATOM 309 N GLY A 38 7.213 -4.757 7.846 1.00 0.00 N ATOM 310 CA GLY A 38 7.917 -5.897 8.399 1.00 0.00 C ATOM 311 C GLY A 38 8.735 -6.636 7.356 1.00 0.00 C ATOM 312 O GLY A 38 8.196 -7.104 6.354 1.00 0.00 O ATOM 0 H GLY A 38 7.104 -4.771 6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.575 -5.560 9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.197 -6.583 8.845 1.00 0.00 H new ATOM 316 N GLY A 39 10.039 -6.737 7.594 1.00 0.00 N ATOM 317 CA GLY A 39 10.911 -7.423 6.660 1.00 0.00 C ATOM 318 C GLY A 39 12.303 -7.641 7.216 1.00 0.00 C ATOM 319 O GLY A 39 12.819 -6.807 7.962 1.00 0.00 O ATOM 0 H GLY A 39 10.506 -6.356 8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.473 -8.386 6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.978 -6.844 5.739 1.00 0.00 H new ATOM 414 N LEU A 47 10.360 -6.439 2.020 1.00 0.00 N ATOM 415 CA LEU A 47 9.608 -5.750 3.063 1.00 0.00 C ATOM 416 C LEU A 47 8.118 -5.739 2.736 1.00 0.00 C ATOM 417 O LEU A 47 7.729 -5.716 1.569 1.00 0.00 O ATOM 418 CB LEU A 47 10.121 -4.316 3.227 1.00 0.00 C ATOM 419 CG LEU A 47 11.055 -4.096 4.421 1.00 0.00 C ATOM 420 CD1 LEU A 47 10.301 -4.286 5.728 1.00 0.00 C ATOM 421 CD2 LEU A 47 12.245 -5.041 4.346 1.00 0.00 C ATOM 0 HA LEU A 47 9.752 -6.287 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.646 -4.027 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.265 -3.649 3.327 1.00 0.00 H new ATOM 0 HG LEU A 47 11.427 -3.072 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.979 -4.126 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.481 -3.569 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.901 -5.299 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.899 -4.872 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.892 -6.072 4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.798 -4.857 3.425 1.00 0.00 H new ATOM 433 N TYR A 48 7.287 -5.757 3.775 1.00 0.00 N ATOM 434 CA TYR A 48 5.841 -5.750 3.594 1.00 0.00 C ATOM 435 C TYR A 48 5.163 -4.859 4.630 1.00 0.00 C ATOM 436 O TYR A 48 5.689 -4.646 5.721 1.00 0.00 O ATOM 437 CB TYR A 48 5.290 -7.174 3.689 1.00 0.00 C ATOM 438 CG TYR A 48 5.068 -7.829 2.344 1.00 0.00 C ATOM 439 CD1 TYR A 48 6.127 -8.388 1.637 1.00 0.00 C ATOM 440 CD2 TYR A 48 3.800 -7.889 1.779 1.00 0.00 C ATOM 441 CE1 TYR A 48 5.926 -8.986 0.408 1.00 0.00 C ATOM 442 CE2 TYR A 48 3.591 -8.486 0.551 1.00 0.00 C ATOM 443 CZ TYR A 48 4.658 -9.033 -0.131 1.00 0.00 C ATOM 444 OH TYR A 48 4.456 -9.629 -1.354 1.00 0.00 O ATOM 0 H TYR A 48 7.591 -5.776 4.748 1.00 0.00 H new ATOM 0 HA TYR A 48 5.626 -5.348 2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.981 -7.784 4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.346 -7.154 4.234 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.122 -8.354 2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.962 -7.461 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.759 -9.415 -0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.598 -8.524 0.127 1.00 0.00 H new ATOM 0 HH TYR A 48 3.716 -10.268 -1.288 1.00 0.00 H new ATOM 454 N ILE A 49 3.989 -4.342 4.279 1.00 0.00 N ATOM 455 CA ILE A 49 3.234 -3.474 5.178 1.00 0.00 C ATOM 456 C ILE A 49 2.403 -4.299 6.154 1.00 0.00 C ATOM 457 O ILE A 49 2.176 -5.490 5.937 1.00 0.00 O ATOM 458 CB ILE A 49 2.303 -2.526 4.395 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.020 -1.969 3.163 1.00 0.00 C ATOM 460 CG2 ILE A 49 1.827 -1.394 5.290 1.00 0.00 C ATOM 461 CD1 ILE A 49 2.173 -1.016 2.348 1.00 0.00 C ATOM 0 H ILE A 49 3.540 -4.509 3.379 1.00 0.00 H new ATOM 0 HA ILE A 49 3.958 -2.877 5.732 1.00 0.00 H new ATOM 0 HB ILE A 49 1.434 -3.092 4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.926 -1.454 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.331 -2.799 2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.171 -0.733 4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.282 -1.806 6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.687 -0.829 5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.746 -0.662 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.279 -1.532 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.883 -0.167 2.967 1.00 0.00 H new ATOM 473 N VAL A 50 1.955 -3.666 7.234 1.00 0.00 N ATOM 474 CA VAL A 50 1.156 -4.353 8.242 1.00 0.00 C ATOM 475 C VAL A 50 -0.217 -3.707 8.408 1.00 0.00 C ATOM 476 O VAL A 50 -1.236 -4.302 8.055 1.00 0.00 O ATOM 477 CB VAL A 50 1.869 -4.370 9.608 1.00 0.00 C ATOM 478 CG1 VAL A 50 1.123 -5.258 10.591 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.310 -4.830 9.449 1.00 0.00 C ATOM 0 H VAL A 50 2.131 -2.681 7.433 1.00 0.00 H new ATOM 0 HA VAL A 50 1.027 -5.376 7.890 1.00 0.00 H new ATOM 0 HB VAL A 50 1.876 -3.356 10.007 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.642 -5.257 11.549 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.110 -4.879 10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.081 -6.276 10.203 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.799 -4.836 10.423 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.327 -5.835 9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.838 -4.148 8.782 1.00 0.00 H new ATOM 489 N GLN A 51 -0.240 -2.494 8.952 1.00 0.00 N ATOM 490 CA GLN A 51 -1.495 -1.781 9.167 1.00 0.00 C ATOM 491 C GLN A 51 -1.248 -0.296 9.415 1.00 0.00 C ATOM 492 O GLN A 51 -0.232 0.088 9.995 1.00 0.00 O ATOM 493 CB GLN A 51 -2.247 -2.394 10.353 1.00 0.00 C ATOM 494 CG GLN A 51 -3.513 -1.641 10.735 1.00 0.00 C ATOM 495 CD GLN A 51 -4.684 -2.566 11.001 1.00 0.00 C ATOM 496 OE1 GLN A 51 -4.969 -2.912 12.147 1.00 0.00 O ATOM 497 NE2 GLN A 51 -5.369 -2.975 9.938 1.00 0.00 N ATOM 0 H GLN A 51 0.592 -1.986 9.251 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.101 -1.878 8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.508 -3.425 10.112 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.581 -2.427 11.215 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.320 -1.041 11.624 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.776 -0.950 9.934 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.098 -2.663 9.006 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.166 -3.601 10.055 1.00 0.00 H new ATOM 506 N VAL A 52 -2.190 0.534 8.977 1.00 0.00 N ATOM 507 CA VAL A 52 -2.084 1.978 9.153 1.00 0.00 C ATOM 508 C VAL A 52 -2.743 2.416 10.457 1.00 0.00 C ATOM 509 O VAL A 52 -3.504 1.660 11.062 1.00 0.00 O ATOM 510 CB VAL A 52 -2.736 2.744 7.983 1.00 0.00 C ATOM 511 CG1 VAL A 52 -2.259 4.188 7.956 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.444 2.056 6.657 1.00 0.00 C ATOM 0 H VAL A 52 -3.037 0.230 8.497 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.020 2.215 9.181 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.815 2.743 8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.730 4.711 7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.528 4.678 8.892 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.176 4.211 7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.914 2.614 5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.367 2.019 6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.842 1.042 6.678 1.00 0.00 H new ATOM 522 N PHE A 53 -2.452 3.638 10.882 1.00 0.00 N ATOM 523 CA PHE A 53 -3.022 4.177 12.112 1.00 0.00 C ATOM 524 C PHE A 53 -3.918 5.374 11.813 1.00 0.00 C ATOM 525 O PHE A 53 -3.596 6.210 10.971 1.00 0.00 O ATOM 526 CB PHE A 53 -1.908 4.580 13.079 1.00 0.00 C ATOM 527 CG PHE A 53 -1.206 3.406 13.698 1.00 0.00 C ATOM 528 CD1 PHE A 53 -1.674 2.846 14.877 1.00 0.00 C ATOM 529 CD2 PHE A 53 -0.081 2.860 13.101 1.00 0.00 C ATOM 530 CE1 PHE A 53 -1.031 1.764 15.448 1.00 0.00 C ATOM 531 CE2 PHE A 53 0.564 1.777 13.666 1.00 0.00 C ATOM 532 CZ PHE A 53 0.088 1.228 14.841 1.00 0.00 C ATOM 0 H PHE A 53 -1.824 4.276 10.394 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.630 3.401 12.577 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.179 5.192 12.548 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.329 5.201 13.870 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.550 3.260 15.354 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.296 3.286 12.183 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.403 1.338 16.368 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.439 1.360 13.190 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.590 0.381 15.284 1.00 0.00 H new ATOM 542 N ASP A 54 -5.049 5.445 12.505 1.00 0.00 N ATOM 543 CA ASP A 54 -5.996 6.537 12.310 1.00 0.00 C ATOM 544 C ASP A 54 -5.350 7.887 12.606 1.00 0.00 C ATOM 545 O ASP A 54 -4.344 7.967 13.311 1.00 0.00 O ATOM 546 CB ASP A 54 -7.222 6.340 13.204 1.00 0.00 C ATOM 547 CG ASP A 54 -7.961 5.053 12.895 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.043 4.688 11.702 1.00 0.00 O ATOM 549 OD2 ASP A 54 -8.457 4.410 13.844 1.00 0.00 O ATOM 0 H ASP A 54 -5.333 4.760 13.206 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.307 6.528 11.265 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.910 6.335 14.248 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.900 7.184 13.078 1.00 0.00 H new ATOM 554 N ASN A 55 -5.943 8.948 12.062 1.00 0.00 N ATOM 555 CA ASN A 55 -5.439 10.304 12.263 1.00 0.00 C ATOM 556 C ASN A 55 -4.102 10.524 11.557 1.00 0.00 C ATOM 557 O ASN A 55 -3.414 11.512 11.815 1.00 0.00 O ATOM 558 CB ASN A 55 -5.293 10.605 13.756 1.00 0.00 C ATOM 559 CG ASN A 55 -6.542 10.255 14.541 1.00 0.00 C ATOM 560 OD1 ASN A 55 -6.566 9.057 15.112 1.00 0.00 O flip ATOM 561 ND2 ASN A 55 -7.473 11.054 14.636 1.00 0.00 N flip ATOM 0 H ASN A 55 -6.776 8.893 11.476 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.167 10.988 11.825 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.447 10.045 14.156 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.067 11.663 13.890 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.412 11.965 14.181 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.306 10.806 15.170 1.00 0.00 H new ATOM 568 N THR A 56 -3.738 9.610 10.660 1.00 0.00 N ATOM 569 CA THR A 56 -2.485 9.730 9.923 1.00 0.00 C ATOM 570 C THR A 56 -2.754 10.061 8.458 1.00 0.00 C ATOM 571 O THR A 56 -3.811 9.729 7.925 1.00 0.00 O ATOM 572 CB THR A 56 -1.677 8.436 10.023 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.283 7.404 9.267 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.523 7.934 11.444 1.00 0.00 C ATOM 0 H THR A 56 -4.290 8.784 10.428 1.00 0.00 H new ATOM 0 HA THR A 56 -1.908 10.541 10.367 1.00 0.00 H new ATOM 0 HB THR A 56 -0.690 8.683 9.632 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.014 7.005 9.784 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.940 7.013 11.443 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.011 8.687 12.043 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.507 7.740 11.870 1.00 0.00 H new ATOM 582 N PRO A 57 -1.797 10.721 7.785 1.00 0.00 N ATOM 583 CA PRO A 57 -1.941 11.094 6.374 1.00 0.00 C ATOM 584 C PRO A 57 -2.174 9.877 5.483 1.00 0.00 C ATOM 585 O PRO A 57 -2.836 9.970 4.449 1.00 0.00 O ATOM 586 CB PRO A 57 -0.606 11.766 6.031 1.00 0.00 C ATOM 587 CG PRO A 57 0.335 11.346 7.110 1.00 0.00 C ATOM 588 CD PRO A 57 -0.505 11.155 8.338 1.00 0.00 C ATOM 0 HA PRO A 57 -2.802 11.742 6.211 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.247 11.450 5.051 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.709 12.851 5.999 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.850 10.423 6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.102 12.103 7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.079 10.407 9.007 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.600 12.078 8.911 1.00 0.00 H new ATOM 596 N ALA A 58 -1.626 8.738 5.894 1.00 0.00 N ATOM 597 CA ALA A 58 -1.773 7.502 5.135 1.00 0.00 C ATOM 598 C ALA A 58 -3.162 6.901 5.331 1.00 0.00 C ATOM 599 O ALA A 58 -3.709 6.269 4.427 1.00 0.00 O ATOM 600 CB ALA A 58 -0.702 6.503 5.544 1.00 0.00 C ATOM 0 H ALA A 58 -1.076 8.646 6.748 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.652 7.736 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.823 5.584 4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.284 6.926 5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.798 6.282 6.607 1.00 0.00 H new ATOM 606 N ALA A 59 -3.726 7.101 6.517 1.00 0.00 N ATOM 607 CA ALA A 59 -5.051 6.579 6.834 1.00 0.00 C ATOM 608 C ALA A 59 -6.142 7.582 6.470 1.00 0.00 C ATOM 609 O ALA A 59 -7.291 7.205 6.236 1.00 0.00 O ATOM 610 CB ALA A 59 -5.135 6.216 8.308 1.00 0.00 C ATOM 0 H ALA A 59 -3.286 7.621 7.276 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.211 5.680 6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.129 5.828 8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.388 5.456 8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.948 7.104 8.913 1.00 0.00 H new ATOM 616 N LEU A 60 -5.777 8.860 6.425 1.00 0.00 N ATOM 617 CA LEU A 60 -6.727 9.914 6.090 1.00 0.00 C ATOM 618 C LEU A 60 -6.929 10.002 4.580 1.00 0.00 C ATOM 619 O LEU A 60 -8.034 10.264 4.106 1.00 0.00 O ATOM 620 CB LEU A 60 -6.241 11.260 6.632 1.00 0.00 C ATOM 621 CG LEU A 60 -6.188 11.367 8.157 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.230 12.467 8.583 1.00 0.00 C ATOM 623 CD2 LEU A 60 -7.578 11.620 8.721 1.00 0.00 C ATOM 0 H LEU A 60 -4.831 9.190 6.616 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.683 9.669 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.245 11.455 6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.895 12.044 6.251 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.821 10.421 8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.206 12.528 9.671 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.230 12.244 8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.565 13.420 8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.522 11.693 9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.972 12.551 8.314 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.237 10.797 8.446 1.00 0.00 H new ATOM 635 N ASP A 61 -5.854 9.780 3.831 1.00 0.00 N ATOM 636 CA ASP A 61 -5.913 9.833 2.374 1.00 0.00 C ATOM 637 C ASP A 61 -6.547 8.565 1.810 1.00 0.00 C ATOM 638 O ASP A 61 -7.462 8.628 0.991 1.00 0.00 O ATOM 639 CB ASP A 61 -4.512 10.020 1.792 1.00 0.00 C ATOM 640 CG ASP A 61 -4.515 10.885 0.546 1.00 0.00 C ATOM 641 OD1 ASP A 61 -4.480 12.125 0.685 1.00 0.00 O ATOM 642 OD2 ASP A 61 -4.555 10.322 -0.568 1.00 0.00 O ATOM 0 H ASP A 61 -4.932 9.562 4.208 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.532 10.684 2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.866 10.473 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.087 9.045 1.553 1.00 0.00 H new ATOM 647 N GLY A 62 -6.052 7.414 2.257 1.00 0.00 N ATOM 648 CA GLY A 62 -6.583 6.148 1.786 1.00 0.00 C ATOM 649 C GLY A 62 -5.846 5.625 0.568 1.00 0.00 C ATOM 650 O GLY A 62 -6.248 5.883 -0.567 1.00 0.00 O ATOM 0 H GLY A 62 -5.294 7.336 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.522 5.412 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.639 6.268 1.544 1.00 0.00 H new ATOM 654 N THR A 63 -4.764 4.890 0.803 1.00 0.00 N ATOM 655 CA THR A 63 -3.970 4.330 -0.285 1.00 0.00 C ATOM 656 C THR A 63 -3.112 3.170 0.209 1.00 0.00 C ATOM 657 O THR A 63 -3.321 2.021 -0.181 1.00 0.00 O ATOM 658 CB THR A 63 -3.081 5.410 -0.904 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.742 6.664 -0.905 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.673 5.105 -2.328 1.00 0.00 C ATOM 0 H THR A 63 -4.417 4.668 1.736 1.00 0.00 H new ATOM 0 HA THR A 63 -4.655 3.954 -1.045 1.00 0.00 H new ATOM 0 HB THR A 63 -2.185 5.437 -0.284 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.678 6.540 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.044 5.911 -2.707 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.117 4.168 -2.354 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.563 5.016 -2.951 1.00 0.00 H new ATOM 668 N VAL A 64 -2.145 3.477 1.067 1.00 0.00 N ATOM 669 CA VAL A 64 -1.255 2.459 1.613 1.00 0.00 C ATOM 670 C VAL A 64 -1.825 1.860 2.894 1.00 0.00 C ATOM 671 O VAL A 64 -2.326 2.581 3.757 1.00 0.00 O ATOM 672 CB VAL A 64 0.143 3.033 1.905 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.832 3.448 0.613 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.048 4.206 2.868 1.00 0.00 C ATOM 0 H VAL A 64 -1.958 4.423 1.399 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.168 1.678 0.858 1.00 0.00 H new ATOM 0 HB VAL A 64 0.744 2.255 2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.819 3.851 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.936 2.581 -0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.236 4.210 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.046 4.599 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.570 4.988 2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.400 3.873 3.804 1.00 0.00 H new ATOM 684 N ALA A 65 -1.742 0.540 3.013 1.00 0.00 N ATOM 685 CA ALA A 65 -2.249 -0.155 4.190 1.00 0.00 C ATOM 686 C ALA A 65 -1.941 -1.648 4.122 1.00 0.00 C ATOM 687 O ALA A 65 -1.156 -2.091 3.283 1.00 0.00 O ATOM 688 CB ALA A 65 -3.748 0.075 4.333 1.00 0.00 C ATOM 0 H ALA A 65 -1.328 -0.071 2.308 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.746 0.251 5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.114 -0.449 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.944 1.142 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.260 -0.303 3.448 1.00 0.00 H new ATOM 694 N ALA A 66 -2.565 -2.417 5.007 1.00 0.00 N ATOM 695 CA ALA A 66 -2.360 -3.860 5.049 1.00 0.00 C ATOM 696 C ALA A 66 -2.699 -4.504 3.708 1.00 0.00 C ATOM 697 O ALA A 66 -3.617 -4.068 3.014 1.00 0.00 O ATOM 698 CB ALA A 66 -3.196 -4.480 6.158 1.00 0.00 C ATOM 0 H ALA A 66 -3.218 -2.064 5.706 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.306 -4.045 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.033 -5.558 6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.904 -4.051 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.251 -4.276 5.976 1.00 0.00 H new ATOM 704 N GLY A 67 -1.954 -5.544 3.350 1.00 0.00 N ATOM 705 CA GLY A 67 -2.192 -6.231 2.095 1.00 0.00 C ATOM 706 C GLY A 67 -1.470 -5.583 0.930 1.00 0.00 C ATOM 707 O GLY A 67 -1.909 -5.685 -0.216 1.00 0.00 O ATOM 0 H GLY A 67 -1.189 -5.924 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.870 -7.268 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.263 -6.247 1.891 1.00 0.00 H new ATOM 711 N ASP A 68 -0.359 -4.914 1.222 1.00 0.00 N ATOM 712 CA ASP A 68 0.426 -4.247 0.190 1.00 0.00 C ATOM 713 C ASP A 68 1.893 -4.651 0.279 1.00 0.00 C ATOM 714 O ASP A 68 2.376 -5.045 1.342 1.00 0.00 O ATOM 715 CB ASP A 68 0.293 -2.729 0.319 1.00 0.00 C ATOM 716 CG ASP A 68 -1.041 -2.220 -0.190 1.00 0.00 C ATOM 717 OD1 ASP A 68 -1.215 -2.142 -1.424 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.913 -1.899 0.645 1.00 0.00 O ATOM 0 H ASP A 68 0.018 -4.820 2.165 1.00 0.00 H new ATOM 0 HA ASP A 68 0.041 -4.556 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.412 -2.444 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.098 -2.248 -0.236 1.00 0.00 H new ATOM 723 N GLU A 69 2.601 -4.553 -0.842 1.00 0.00 N ATOM 724 CA GLU A 69 4.014 -4.910 -0.889 1.00 0.00 C ATOM 725 C GLU A 69 4.873 -3.695 -1.223 1.00 0.00 C ATOM 726 O GLU A 69 4.979 -3.296 -2.383 1.00 0.00 O ATOM 727 CB GLU A 69 4.248 -6.014 -1.921 1.00 0.00 C ATOM 728 CG GLU A 69 5.685 -6.508 -1.968 1.00 0.00 C ATOM 729 CD GLU A 69 6.397 -6.113 -3.249 1.00 0.00 C ATOM 730 OE1 GLU A 69 5.737 -6.079 -4.307 1.00 0.00 O ATOM 731 OE2 GLU A 69 7.614 -5.839 -3.190 1.00 0.00 O ATOM 0 H GLU A 69 2.219 -4.229 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 69 4.303 -5.276 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.591 -6.854 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.967 -5.644 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.231 -6.106 -1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.695 -7.594 -1.871 1.00 0.00 H new ATOM 738 N ILE A 70 5.486 -3.112 -0.198 1.00 0.00 N ATOM 739 CA ILE A 70 6.340 -1.944 -0.381 1.00 0.00 C ATOM 740 C ILE A 70 7.628 -2.319 -1.108 1.00 0.00 C ATOM 741 O ILE A 70 8.340 -3.237 -0.698 1.00 0.00 O ATOM 742 CB ILE A 70 6.689 -1.287 0.971 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.594 -0.069 0.762 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.352 -2.296 1.898 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.028 0.947 -0.204 1.00 0.00 C ATOM 0 H ILE A 70 5.407 -3.429 0.768 1.00 0.00 H new ATOM 0 HA ILE A 70 5.782 -1.229 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 70 5.764 -0.948 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.767 0.414 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.564 -0.406 0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.591 -1.816 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.672 -3.130 2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.268 -2.666 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.722 1.781 -0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.881 0.480 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.072 1.313 0.171 1.00 0.00 H new ATOM 757 N THR A 71 7.921 -1.605 -2.190 1.00 0.00 N ATOM 758 CA THR A 71 9.122 -1.864 -2.975 1.00 0.00 C ATOM 759 C THR A 71 9.644 -0.582 -3.618 1.00 0.00 C ATOM 760 O THR A 71 10.170 -0.605 -4.731 1.00 0.00 O ATOM 761 CB THR A 71 8.834 -2.906 -4.056 1.00 0.00 C ATOM 762 OG1 THR A 71 10.016 -3.237 -4.763 1.00 0.00 O ATOM 763 CG2 THR A 71 7.805 -2.448 -5.068 1.00 0.00 C ATOM 0 H THR A 71 7.343 -0.842 -2.543 1.00 0.00 H new ATOM 0 HA THR A 71 9.888 -2.248 -2.301 1.00 0.00 H new ATOM 0 HB THR A 71 8.438 -3.772 -3.525 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.435 -2.418 -5.102 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.647 -3.233 -5.807 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.865 -2.234 -4.560 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.161 -1.547 -5.567 1.00 0.00 H new ATOM 771 N GLY A 72 9.497 0.534 -2.910 1.00 0.00 N ATOM 772 CA GLY A 72 9.962 1.806 -3.434 1.00 0.00 C ATOM 773 C GLY A 72 9.512 2.984 -2.590 1.00 0.00 C ATOM 774 O GLY A 72 8.461 2.936 -1.953 1.00 0.00 O ATOM 0 H GLY A 72 9.066 0.581 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.051 1.797 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.594 1.932 -4.452 1.00 0.00 H new ATOM 778 N VAL A 73 10.315 4.044 -2.590 1.00 0.00 N ATOM 779 CA VAL A 73 10.002 5.244 -1.824 1.00 0.00 C ATOM 780 C VAL A 73 10.645 6.476 -2.451 1.00 0.00 C ATOM 781 O VAL A 73 11.858 6.669 -2.360 1.00 0.00 O ATOM 782 CB VAL A 73 10.476 5.119 -0.363 1.00 0.00 C ATOM 783 CG1 VAL A 73 10.014 6.315 0.456 1.00 0.00 C ATOM 784 CG2 VAL A 73 9.977 3.819 0.251 1.00 0.00 C ATOM 0 H VAL A 73 11.189 4.095 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 73 8.918 5.355 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 73 11.566 5.104 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.359 6.207 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.426 7.229 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.925 6.367 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.321 3.748 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.887 3.802 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.364 2.975 -0.320 1.00 0.00 H new ATOM 794 N ASN A 74 9.829 7.306 -3.089 1.00 0.00 N ATOM 795 CA ASN A 74 10.321 8.520 -3.732 1.00 0.00 C ATOM 796 C ASN A 74 11.323 8.186 -4.833 1.00 0.00 C ATOM 797 O ASN A 74 12.220 8.976 -5.128 1.00 0.00 O ATOM 798 CB ASN A 74 10.965 9.445 -2.696 1.00 0.00 C ATOM 799 CG ASN A 74 10.141 10.695 -2.444 1.00 0.00 C ATOM 800 OD1 ASN A 74 9.231 11.016 -3.206 1.00 0.00 O ATOM 801 ND2 ASN A 74 10.462 11.405 -1.368 1.00 0.00 N ATOM 0 H ASN A 74 8.823 7.161 -3.175 1.00 0.00 H new ATOM 0 HA ASN A 74 9.472 9.032 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.093 8.903 -1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.960 9.732 -3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.945 12.256 -1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.225 11.099 -0.764 1.00 0.00 H new ATOM 808 N GLY A 75 11.166 7.011 -5.435 1.00 0.00 N ATOM 809 CA GLY A 75 12.065 6.596 -6.496 1.00 0.00 C ATOM 810 C GLY A 75 13.137 5.643 -6.009 1.00 0.00 C ATOM 811 O GLY A 75 13.634 4.813 -6.771 1.00 0.00 O ATOM 0 H GLY A 75 10.433 6.340 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.490 6.117 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.537 7.476 -6.933 1.00 0.00 H new ATOM 815 N ARG A 76 13.496 5.760 -4.734 1.00 0.00 N ATOM 816 CA ARG A 76 14.517 4.901 -4.146 1.00 0.00 C ATOM 817 C ARG A 76 14.047 3.450 -4.101 1.00 0.00 C ATOM 818 O ARG A 76 12.874 3.174 -3.846 1.00 0.00 O ATOM 819 CB ARG A 76 14.869 5.384 -2.736 1.00 0.00 C ATOM 820 CG ARG A 76 16.259 5.990 -2.632 1.00 0.00 C ATOM 821 CD ARG A 76 17.291 4.950 -2.224 1.00 0.00 C ATOM 822 NE ARG A 76 18.571 5.159 -2.894 1.00 0.00 N ATOM 823 CZ ARG A 76 19.515 4.224 -2.999 1.00 0.00 C ATOM 824 NH1 ARG A 76 19.324 3.018 -2.478 1.00 0.00 N ATOM 825 NH2 ARG A 76 20.651 4.497 -3.625 1.00 0.00 N ATOM 0 H ARG A 76 13.095 6.441 -4.089 1.00 0.00 H new ATOM 0 HA ARG A 76 15.408 4.954 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.134 6.124 -2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.794 4.545 -2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.540 6.426 -3.591 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.250 6.801 -1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.436 4.987 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.916 3.954 -2.461 1.00 0.00 H new ATOM 0 HE ARG A 76 18.754 6.074 -3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.452 2.804 -1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.049 2.306 -2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.803 5.422 -4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.374 3.782 -3.705 1.00 0.00 H new ATOM 839 N SER A 77 14.970 2.526 -4.348 1.00 0.00 N ATOM 840 CA SER A 77 14.650 1.104 -4.335 1.00 0.00 C ATOM 841 C SER A 77 14.882 0.506 -2.951 1.00 0.00 C ATOM 842 O SER A 77 15.981 0.594 -2.403 1.00 0.00 O ATOM 843 CB SER A 77 15.493 0.361 -5.373 1.00 0.00 C ATOM 844 OG SER A 77 14.894 0.422 -6.655 1.00 0.00 O ATOM 0 H SER A 77 15.945 2.737 -4.559 1.00 0.00 H new ATOM 0 HA SER A 77 13.595 0.992 -4.586 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.492 0.796 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.611 -0.680 -5.072 1.00 0.00 H new ATOM 0 HG SER A 77 15.453 -0.059 -7.301 1.00 0.00 H new ATOM 850 N ILE A 78 13.841 -0.100 -2.391 1.00 0.00 N ATOM 851 CA ILE A 78 13.932 -0.711 -1.071 1.00 0.00 C ATOM 852 C ILE A 78 13.862 -2.235 -1.153 1.00 0.00 C ATOM 853 O ILE A 78 13.610 -2.906 -0.153 1.00 0.00 O ATOM 854 CB ILE A 78 12.810 -0.209 -0.140 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.443 -0.662 -0.659 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.861 1.306 -0.021 1.00 0.00 C ATOM 857 CD1 ILE A 78 10.992 -1.989 -0.091 1.00 0.00 C ATOM 0 H ILE A 78 12.924 -0.181 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 78 14.898 -0.419 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 78 12.961 -0.638 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.701 0.099 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.482 -0.735 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.063 1.646 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.825 1.606 0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.732 1.753 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.016 -2.248 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.714 -2.762 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.921 -1.915 0.994 1.00 0.00 H new ATOM 869 N LYS A 79 14.081 -2.776 -2.348 1.00 0.00 N ATOM 870 CA LYS A 79 14.035 -4.219 -2.549 1.00 0.00 C ATOM 871 C LYS A 79 15.168 -4.908 -1.795 1.00 0.00 C ATOM 872 O LYS A 79 15.033 -6.052 -1.362 1.00 0.00 O ATOM 873 CB LYS A 79 14.118 -4.550 -4.040 1.00 0.00 C ATOM 874 CG LYS A 79 12.759 -4.694 -4.708 1.00 0.00 C ATOM 875 CD LYS A 79 12.884 -5.247 -6.120 1.00 0.00 C ATOM 876 CE LYS A 79 12.405 -4.244 -7.157 1.00 0.00 C ATOM 877 NZ LYS A 79 13.538 -3.516 -7.791 1.00 0.00 N ATOM 0 H LYS A 79 14.291 -2.238 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 79 13.087 -4.587 -2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.682 -3.767 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.676 -5.477 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.129 -5.354 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.264 -3.723 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.923 -5.508 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.303 -6.165 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.831 -4.762 -7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.732 -3.528 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.169 -2.842 -8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.071 -3.000 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.167 -4.196 -8.263 1.00 0.00 H new ATOM 891 N GLY A 80 16.286 -4.205 -1.643 1.00 0.00 N ATOM 892 CA GLY A 80 17.426 -4.766 -0.942 1.00 0.00 C ATOM 893 C GLY A 80 17.760 -4.004 0.326 1.00 0.00 C ATOM 894 O GLY A 80 18.914 -3.643 0.553 1.00 0.00 O ATOM 0 H GLY A 80 16.423 -3.257 -1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.219 -5.807 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.293 -4.763 -1.603 1.00 0.00 H new ATOM 898 N LYS A 81 16.748 -3.759 1.151 1.00 0.00 N ATOM 899 CA LYS A 81 16.940 -3.035 2.402 1.00 0.00 C ATOM 900 C LYS A 81 16.209 -3.725 3.550 1.00 0.00 C ATOM 901 O LYS A 81 15.206 -4.407 3.339 1.00 0.00 O ATOM 902 CB LYS A 81 16.448 -1.594 2.263 1.00 0.00 C ATOM 903 CG LYS A 81 17.141 -0.817 1.155 1.00 0.00 C ATOM 904 CD LYS A 81 18.208 0.115 1.707 1.00 0.00 C ATOM 905 CE LYS A 81 18.143 1.489 1.058 1.00 0.00 C ATOM 906 NZ LYS A 81 18.556 2.568 1.995 1.00 0.00 N ATOM 0 H LYS A 81 15.787 -4.051 0.976 1.00 0.00 H new ATOM 0 HA LYS A 81 18.007 -3.028 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.375 -1.602 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.600 -1.074 3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.595 -1.514 0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.403 -0.238 0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 81 18.082 0.215 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 81 19.193 -0.320 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.788 1.506 0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.127 1.679 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.497 3.488 1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.926 2.570 2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.534 2.402 2.306 1.00 0.00 H new ATOM 920 N THR A 82 16.719 -3.540 4.762 1.00 0.00 N ATOM 921 CA THR A 82 16.115 -4.143 5.945 1.00 0.00 C ATOM 922 C THR A 82 14.976 -3.276 6.473 1.00 0.00 C ATOM 923 O THR A 82 14.807 -2.132 6.051 1.00 0.00 O ATOM 924 CB THR A 82 17.168 -4.340 7.037 1.00 0.00 C ATOM 925 OG1 THR A 82 18.398 -4.764 6.476 1.00 0.00 O ATOM 926 CG2 THR A 82 16.764 -5.357 8.083 1.00 0.00 C ATOM 0 H THR A 82 17.549 -2.978 4.952 1.00 0.00 H new ATOM 0 HA THR A 82 15.710 -5.114 5.661 1.00 0.00 H new ATOM 0 HB THR A 82 17.268 -3.368 7.520 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.059 -4.883 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.555 -5.448 8.827 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.844 -5.033 8.570 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.601 -6.324 7.607 1.00 0.00 H new ATOM 934 N LYS A 83 14.195 -3.828 7.398 1.00 0.00 N ATOM 935 CA LYS A 83 13.072 -3.103 7.982 1.00 0.00 C ATOM 936 C LYS A 83 13.542 -1.804 8.631 1.00 0.00 C ATOM 937 O LYS A 83 12.833 -0.798 8.614 1.00 0.00 O ATOM 938 CB LYS A 83 12.357 -3.974 9.016 1.00 0.00 C ATOM 939 CG LYS A 83 13.289 -4.577 10.053 1.00 0.00 C ATOM 940 CD LYS A 83 12.570 -4.832 11.370 1.00 0.00 C ATOM 941 CE LYS A 83 12.291 -6.313 11.576 1.00 0.00 C ATOM 942 NZ LYS A 83 13.314 -6.953 12.448 1.00 0.00 N ATOM 0 H LYS A 83 14.320 -4.774 7.758 1.00 0.00 H new ATOM 0 HA LYS A 83 12.375 -2.857 7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.602 -3.374 9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.832 -4.778 8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.699 -5.513 9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.131 -3.905 10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.176 -4.457 12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.631 -4.278 11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.304 -6.438 12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.271 -6.817 10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.089 -7.962 12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.253 -6.856 12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.316 -6.489 13.379 1.00 0.00 H new ATOM 956 N VAL A 84 14.743 -1.835 9.199 1.00 0.00 N ATOM 957 CA VAL A 84 15.310 -0.661 9.851 1.00 0.00 C ATOM 958 C VAL A 84 15.769 0.368 8.821 1.00 0.00 C ATOM 959 O VAL A 84 15.617 1.572 9.023 1.00 0.00 O ATOM 960 CB VAL A 84 16.503 -1.037 10.751 1.00 0.00 C ATOM 961 CG1 VAL A 84 16.983 0.172 11.538 1.00 0.00 C ATOM 962 CG2 VAL A 84 16.128 -2.177 11.688 1.00 0.00 C ATOM 0 H VAL A 84 15.342 -2.660 9.221 1.00 0.00 H new ATOM 0 HA VAL A 84 14.522 -0.230 10.469 1.00 0.00 H new ATOM 0 HB VAL A 84 17.321 -1.374 10.114 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.826 -0.115 12.167 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.296 0.955 10.847 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.172 0.544 12.165 1.00 0.00 H new ATOM 0 HG21 VAL A 84 16.983 -2.428 12.316 1.00 0.00 H new ATOM 0 HG22 VAL A 84 15.293 -1.870 12.318 1.00 0.00 H new ATOM 0 HG23 VAL A 84 15.839 -3.049 11.102 1.00 0.00 H new ATOM 972 N GLU A 85 16.331 -0.116 7.719 1.00 0.00 N ATOM 973 CA GLU A 85 16.813 0.760 6.658 1.00 0.00 C ATOM 974 C GLU A 85 15.659 1.524 6.018 1.00 0.00 C ATOM 975 O GLU A 85 15.717 2.745 5.871 1.00 0.00 O ATOM 976 CB GLU A 85 17.553 -0.053 5.594 1.00 0.00 C ATOM 977 CG GLU A 85 18.968 -0.435 5.995 1.00 0.00 C ATOM 978 CD GLU A 85 19.856 0.772 6.226 1.00 0.00 C ATOM 979 OE1 GLU A 85 19.836 1.693 5.383 1.00 0.00 O ATOM 980 OE2 GLU A 85 20.569 0.797 7.251 1.00 0.00 O ATOM 0 H GLU A 85 16.464 -1.111 7.537 1.00 0.00 H new ATOM 0 HA GLU A 85 17.502 1.480 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.987 -0.960 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.589 0.523 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.934 -1.036 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.406 -1.060 5.216 1.00 0.00 H new ATOM 987 N VAL A 86 14.610 0.798 5.643 1.00 0.00 N ATOM 988 CA VAL A 86 13.442 1.410 5.022 1.00 0.00 C ATOM 989 C VAL A 86 12.766 2.388 5.976 1.00 0.00 C ATOM 990 O VAL A 86 12.380 3.489 5.582 1.00 0.00 O ATOM 991 CB VAL A 86 12.417 0.350 4.580 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.303 0.989 3.766 1.00 0.00 C ATOM 993 CG2 VAL A 86 13.100 -0.756 3.789 1.00 0.00 C ATOM 0 H VAL A 86 14.546 -0.213 5.758 1.00 0.00 H new ATOM 0 HA VAL A 86 13.796 1.947 4.142 1.00 0.00 H new ATOM 0 HB VAL A 86 11.974 -0.093 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.589 0.223 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.795 1.740 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.726 1.462 2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.360 -1.496 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.573 -0.331 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.857 -1.234 4.411 1.00 0.00 H new ATOM 1003 N ALA A 87 12.629 1.982 7.233 1.00 0.00 N ATOM 1004 CA ALA A 87 12.002 2.821 8.245 1.00 0.00 C ATOM 1005 C ALA A 87 12.742 4.147 8.391 1.00 0.00 C ATOM 1006 O ALA A 87 12.124 5.208 8.483 1.00 0.00 O ATOM 1007 CB ALA A 87 11.951 2.093 9.578 1.00 0.00 C ATOM 0 H ALA A 87 12.945 1.075 7.575 1.00 0.00 H new ATOM 0 HA ALA A 87 10.983 3.036 7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.480 2.733 10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.373 1.175 9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.964 1.848 9.898 1.00 0.00 H new ATOM 1013 N LYS A 88 14.070 4.078 8.413 1.00 0.00 N ATOM 1014 CA LYS A 88 14.895 5.274 8.546 1.00 0.00 C ATOM 1015 C LYS A 88 14.784 6.153 7.306 1.00 0.00 C ATOM 1016 O LYS A 88 14.811 7.381 7.398 1.00 0.00 O ATOM 1017 CB LYS A 88 16.357 4.884 8.785 1.00 0.00 C ATOM 1018 CG LYS A 88 16.792 5.017 10.236 1.00 0.00 C ATOM 1019 CD LYS A 88 16.863 3.664 10.924 1.00 0.00 C ATOM 1020 CE LYS A 88 18.006 3.605 11.925 1.00 0.00 C ATOM 1021 NZ LYS A 88 19.298 3.256 11.271 1.00 0.00 N ATOM 0 H LYS A 88 14.597 3.208 8.341 1.00 0.00 H new ATOM 0 HA LYS A 88 14.533 5.843 9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.507 3.854 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.998 5.509 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.768 5.501 10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.092 5.661 10.769 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.921 3.465 11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.992 2.881 10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.101 4.569 12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.777 2.868 12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 20.052 3.226 11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 19.216 2.325 10.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 19.529 3.973 10.554 1.00 0.00 H new ATOM 1035 N MET A 89 14.659 5.518 6.144 1.00 0.00 N ATOM 1036 CA MET A 89 14.543 6.244 4.884 1.00 0.00 C ATOM 1037 C MET A 89 13.330 7.168 4.898 1.00 0.00 C ATOM 1038 O MET A 89 13.431 8.347 4.556 1.00 0.00 O ATOM 1039 CB MET A 89 14.438 5.264 3.714 1.00 0.00 C ATOM 1040 CG MET A 89 14.462 5.939 2.352 1.00 0.00 C ATOM 1041 SD MET A 89 15.647 5.188 1.220 1.00 0.00 S ATOM 1042 CE MET A 89 14.738 3.739 0.691 1.00 0.00 C ATOM 0 H MET A 89 14.635 4.503 6.049 1.00 0.00 H new ATOM 0 HA MET A 89 15.439 6.852 4.761 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.261 4.552 3.772 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.515 4.693 3.811 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.466 5.893 1.911 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.706 6.994 2.479 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.412 3.055 0.175 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.310 3.240 1.561 1.00 0.00 H new ATOM 0 HE3 MET A 89 13.938 4.039 0.014 1.00 0.00 H new ATOM 1052 N ILE A 90 12.184 6.627 5.295 1.00 0.00 N ATOM 1053 CA ILE A 90 10.951 7.404 5.353 1.00 0.00 C ATOM 1054 C ILE A 90 11.066 8.532 6.373 1.00 0.00 C ATOM 1055 O ILE A 90 10.789 9.691 6.064 1.00 0.00 O ATOM 1056 CB ILE A 90 9.744 6.519 5.716 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.699 5.278 4.819 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.449 7.311 5.597 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.708 5.600 3.341 1.00 0.00 C ATOM 0 H ILE A 90 12.083 5.653 5.582 1.00 0.00 H new ATOM 0 HA ILE A 90 10.794 7.826 4.360 1.00 0.00 H new ATOM 0 HB ILE A 90 9.855 6.192 6.750 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.554 4.642 5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.802 4.704 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.606 6.671 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.480 8.163 6.276 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.333 7.666 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.675 4.674 2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.839 6.210 3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.617 6.148 3.094 1.00 0.00 H new ATOM 1071 N GLN A 91 11.476 8.186 7.589 1.00 0.00 N ATOM 1072 CA GLN A 91 11.626 9.170 8.654 1.00 0.00 C ATOM 1073 C GLN A 91 12.564 10.299 8.230 1.00 0.00 C ATOM 1074 O GLN A 91 12.469 11.419 8.734 1.00 0.00 O ATOM 1075 CB GLN A 91 12.159 8.499 9.923 1.00 0.00 C ATOM 1076 CG GLN A 91 11.181 7.516 10.545 1.00 0.00 C ATOM 1077 CD GLN A 91 11.513 7.199 11.992 1.00 0.00 C ATOM 1078 OE1 GLN A 91 10.548 6.641 12.710 1.00 0.00 O flip ATOM 1079 NE2 GLN A 91 12.624 7.455 12.455 1.00 0.00 N flip ATOM 0 H GLN A 91 11.710 7.231 7.861 1.00 0.00 H new ATOM 0 HA GLN A 91 10.645 9.598 8.859 1.00 0.00 H new ATOM 0 HB2 GLN A 91 13.086 7.977 9.686 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.404 9.268 10.656 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.173 7.927 10.489 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.181 6.593 9.965 1.00 0.00 H new ATOM 0 HE21 GLN A 91 13.336 7.885 11.864 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.833 7.237 13.429 1.00 0.00 H new ATOM 1088 N GLU A 92 13.468 9.996 7.304 1.00 0.00 N ATOM 1089 CA GLU A 92 14.422 10.986 6.815 1.00 0.00 C ATOM 1090 C GLU A 92 13.766 11.928 5.811 1.00 0.00 C ATOM 1091 O GLU A 92 13.941 13.144 5.879 1.00 0.00 O ATOM 1092 CB GLU A 92 15.623 10.292 6.171 1.00 0.00 C ATOM 1093 CG GLU A 92 16.692 9.876 7.170 1.00 0.00 C ATOM 1094 CD GLU A 92 17.543 11.042 7.632 1.00 0.00 C ATOM 1095 OE1 GLU A 92 17.662 12.028 6.874 1.00 0.00 O ATOM 1096 OE2 GLU A 92 18.090 10.969 8.753 1.00 0.00 O ATOM 0 H GLU A 92 13.560 9.074 6.877 1.00 0.00 H new ATOM 0 HA GLU A 92 14.764 11.575 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.277 9.409 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.067 10.961 5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.216 9.413 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 92 17.333 9.120 6.717 1.00 0.00 H new ATOM 1103 N VAL A 93 13.009 11.359 4.877 1.00 0.00 N ATOM 1104 CA VAL A 93 12.328 12.150 3.858 1.00 0.00 C ATOM 1105 C VAL A 93 11.379 13.161 4.488 1.00 0.00 C ATOM 1106 O VAL A 93 10.866 12.946 5.589 1.00 0.00 O ATOM 1107 CB VAL A 93 11.534 11.255 2.886 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.029 12.069 1.705 1.00 0.00 C ATOM 1109 CG2 VAL A 93 12.387 10.086 2.416 1.00 0.00 C ATOM 0 H VAL A 93 12.852 10.354 4.805 1.00 0.00 H new ATOM 0 HA VAL A 93 13.102 12.679 3.303 1.00 0.00 H new ATOM 0 HB VAL A 93 10.670 10.851 3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.471 11.421 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.378 12.866 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.876 12.504 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.809 9.466 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.272 10.464 1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.692 9.489 3.276 1.00 0.00 H new ATOM 1119 N LYS A 94 11.147 14.266 3.787 1.00 0.00 N ATOM 1120 CA LYS A 94 10.257 15.312 4.279 1.00 0.00 C ATOM 1121 C LYS A 94 9.365 15.838 3.159 1.00 0.00 C ATOM 1122 O LYS A 94 9.754 15.841 1.991 1.00 0.00 O ATOM 1123 CB LYS A 94 11.069 16.461 4.881 1.00 0.00 C ATOM 1124 CG LYS A 94 11.897 16.052 6.087 1.00 0.00 C ATOM 1125 CD LYS A 94 11.167 16.347 7.388 1.00 0.00 C ATOM 1126 CE LYS A 94 12.128 16.804 8.475 1.00 0.00 C ATOM 1127 NZ LYS A 94 11.685 16.369 9.828 1.00 0.00 N ATOM 0 H LYS A 94 11.563 14.461 2.876 1.00 0.00 H new ATOM 0 HA LYS A 94 9.623 14.880 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.731 16.867 4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.389 17.262 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.125 14.988 6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.849 16.583 6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.415 17.118 7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.638 15.454 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.122 16.404 8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.211 17.891 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.367 16.700 10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.748 16.771 10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.630 15.331 9.858 1.00 0.00 H new ATOM 1141 N GLY A 95 8.167 16.283 3.523 1.00 0.00 N ATOM 1142 CA GLY A 95 7.238 16.806 2.538 1.00 0.00 C ATOM 1143 C GLY A 95 6.439 15.712 1.857 1.00 0.00 C ATOM 1144 O GLY A 95 6.189 14.659 2.444 1.00 0.00 O ATOM 0 H GLY A 95 7.823 16.291 4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.554 17.503 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.790 17.370 1.786 1.00 0.00 H new ATOM 1148 N GLU A 96 6.037 15.963 0.615 1.00 0.00 N ATOM 1149 CA GLU A 96 5.260 14.991 -0.146 1.00 0.00 C ATOM 1150 C GLU A 96 6.090 13.746 -0.447 1.00 0.00 C ATOM 1151 O GLU A 96 6.779 13.679 -1.465 1.00 0.00 O ATOM 1152 CB GLU A 96 4.760 15.614 -1.450 1.00 0.00 C ATOM 1153 CG GLU A 96 5.835 16.369 -2.214 1.00 0.00 C ATOM 1154 CD GLU A 96 5.750 17.869 -2.014 1.00 0.00 C ATOM 1155 OE1 GLU A 96 4.634 18.420 -2.122 1.00 0.00 O ATOM 1156 OE2 GLU A 96 6.798 18.493 -1.746 1.00 0.00 O ATOM 0 H GLU A 96 6.236 16.829 0.115 1.00 0.00 H new ATOM 0 HA GLU A 96 4.402 14.696 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.357 14.827 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.939 16.295 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.816 16.019 -1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.747 16.143 -3.277 1.00 0.00 H new ATOM 1163 N VAL A 97 6.015 12.765 0.445 1.00 0.00 N ATOM 1164 CA VAL A 97 6.756 11.521 0.276 1.00 0.00 C ATOM 1165 C VAL A 97 5.995 10.546 -0.616 1.00 0.00 C ATOM 1166 O VAL A 97 4.774 10.426 -0.522 1.00 0.00 O ATOM 1167 CB VAL A 97 7.038 10.851 1.636 1.00 0.00 C ATOM 1168 CG1 VAL A 97 5.738 10.507 2.346 1.00 0.00 C ATOM 1169 CG2 VAL A 97 7.899 9.609 1.453 1.00 0.00 C ATOM 0 H VAL A 97 5.449 12.807 1.292 1.00 0.00 H new ATOM 0 HA VAL A 97 7.704 11.775 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 97 7.587 11.558 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.960 10.035 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.164 11.418 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.157 9.821 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.087 9.150 2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.380 8.898 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.847 9.888 0.994 1.00 0.00 H new ATOM 1179 N THR A 98 6.725 9.852 -1.485 1.00 0.00 N ATOM 1180 CA THR A 98 6.116 8.886 -2.394 1.00 0.00 C ATOM 1181 C THR A 98 6.466 7.459 -1.987 1.00 0.00 C ATOM 1182 O THR A 98 7.597 7.175 -1.592 1.00 0.00 O ATOM 1183 CB THR A 98 6.576 9.147 -3.829 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.740 10.534 -4.061 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.612 8.618 -4.870 1.00 0.00 C ATOM 0 H THR A 98 7.737 9.940 -1.579 1.00 0.00 H new ATOM 0 HA THR A 98 5.034 9.004 -2.339 1.00 0.00 H new ATOM 0 HB THR A 98 7.523 8.617 -3.929 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.589 10.832 -3.673 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.997 8.836 -5.866 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.503 7.540 -4.750 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.641 9.097 -4.744 1.00 0.00 H new ATOM 1193 N ILE A 99 5.488 6.565 -2.086 1.00 0.00 N ATOM 1194 CA ILE A 99 5.690 5.166 -1.731 1.00 0.00 C ATOM 1195 C ILE A 99 5.066 4.244 -2.772 1.00 0.00 C ATOM 1196 O ILE A 99 3.871 4.325 -3.053 1.00 0.00 O ATOM 1197 CB ILE A 99 5.092 4.851 -0.343 1.00 0.00 C ATOM 1198 CG1 ILE A 99 5.688 5.781 0.714 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.338 3.396 0.032 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.089 7.169 0.706 1.00 0.00 C ATOM 0 H ILE A 99 4.546 6.785 -2.410 1.00 0.00 H new ATOM 0 HA ILE A 99 6.766 4.992 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 99 4.015 5.015 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.543 5.338 1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.763 5.858 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.908 3.196 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.871 2.746 -0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.411 3.204 0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.560 7.773 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.257 7.632 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.018 7.104 0.897 1.00 0.00 H new ATOM 1212 N HIS A 100 5.885 3.363 -3.341 1.00 0.00 N ATOM 1213 CA HIS A 100 5.415 2.421 -4.350 1.00 0.00 C ATOM 1214 C HIS A 100 4.988 1.106 -3.707 1.00 0.00 C ATOM 1215 O HIS A 100 5.825 0.320 -3.264 1.00 0.00 O ATOM 1216 CB HIS A 100 6.509 2.163 -5.387 1.00 0.00 C ATOM 1217 CG HIS A 100 7.142 3.413 -5.915 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.002 3.836 -7.219 1.00 0.00 N ATOM 1219 CD2 HIS A 100 7.922 4.337 -5.305 1.00 0.00 C ATOM 1220 CE1 HIS A 100 7.667 4.965 -7.390 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.234 5.291 -6.243 1.00 0.00 N ATOM 0 H HIS A 100 6.877 3.283 -3.120 1.00 0.00 H new ATOM 0 HA HIS A 100 4.550 2.861 -4.847 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.281 1.536 -4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.084 1.602 -6.219 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.468 3.352 -7.941 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.240 4.326 -4.273 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.735 5.525 -8.311 1.00 0.00 H new ATOM 1230 N TYR A 101 3.681 0.873 -3.661 1.00 0.00 N ATOM 1231 CA TYR A 101 3.143 -0.347 -3.070 1.00 0.00 C ATOM 1232 C TYR A 101 2.592 -1.275 -4.147 1.00 0.00 C ATOM 1233 O TYR A 101 2.024 -0.821 -5.141 1.00 0.00 O ATOM 1234 CB TYR A 101 2.045 -0.009 -2.060 1.00 0.00 C ATOM 1235 CG TYR A 101 0.881 0.745 -2.662 1.00 0.00 C ATOM 1236 CD1 TYR A 101 0.892 2.132 -2.736 1.00 0.00 C ATOM 1237 CD2 TYR A 101 -0.228 0.070 -3.155 1.00 0.00 C ATOM 1238 CE1 TYR A 101 -0.170 2.825 -3.284 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -1.294 0.757 -3.705 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.261 2.134 -3.768 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.320 2.821 -4.316 1.00 0.00 O ATOM 0 H TYR A 101 2.975 1.512 -4.026 1.00 0.00 H new ATOM 0 HA TYR A 101 3.955 -0.860 -2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.677 -0.933 -1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.475 0.586 -1.254 1.00 0.00 H new ATOM 0 HD1 TYR A 101 1.745 2.677 -2.359 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.258 -1.009 -3.108 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.146 3.904 -3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.149 0.217 -4.084 1.00 0.00 H new ATOM 0 HH TYR A 101 -3.005 2.185 -4.610 1.00 0.00 H new ATOM 1251 N ASN A 102 2.760 -2.577 -3.943 1.00 0.00 N ATOM 1252 CA ASN A 102 2.278 -3.570 -4.896 1.00 0.00 C ATOM 1253 C ASN A 102 1.065 -4.312 -4.341 1.00 0.00 C ATOM 1254 O ASN A 102 1.174 -5.062 -3.371 1.00 0.00 O ATOM 1255 CB ASN A 102 3.390 -4.564 -5.234 1.00 0.00 C ATOM 1256 CG ASN A 102 3.977 -4.328 -6.614 1.00 0.00 C ATOM 1257 OD1 ASN A 102 3.584 -4.971 -7.587 1.00 0.00 O ATOM 1258 ND2 ASN A 102 4.925 -3.402 -6.702 1.00 0.00 N ATOM 0 H ASN A 102 3.227 -2.970 -3.125 1.00 0.00 H new ATOM 0 HA ASN A 102 1.978 -3.050 -5.806 1.00 0.00 H new ATOM 0 HB2 ASN A 102 4.181 -4.488 -4.488 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.996 -5.579 -5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.358 -3.200 -7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.220 -2.893 -5.869 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.090 -4.096 -4.963 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.323 -4.745 -4.531 1.00 0.00 C ATOM 1267 C LYS A 103 -1.288 -6.238 -4.839 1.00 0.00 C ATOM 1268 O LYS A 103 -0.985 -6.643 -5.962 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.530 -4.094 -5.210 1.00 0.00 C ATOM 1270 CG LYS A 103 -3.585 -3.600 -4.231 1.00 0.00 C ATOM 1271 CD LYS A 103 -4.721 -2.888 -4.948 1.00 0.00 C ATOM 1272 CE LYS A 103 -5.626 -2.158 -3.968 1.00 0.00 C ATOM 1273 NZ LYS A 103 -7.061 -2.266 -4.354 1.00 0.00 N ATOM 0 H LYS A 103 -0.198 -3.477 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.414 -4.620 -3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.187 -3.255 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.986 -4.813 -5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.982 -4.443 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.126 -2.922 -3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.311 -2.177 -5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.306 -3.612 -5.515 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.487 -2.570 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.340 -1.107 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.646 -1.756 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.199 -1.850 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.341 -3.267 -4.373 1.00 0.00 H new ATOM 1287 N LEU A 104 -1.600 -7.053 -3.836 1.00 0.00 N ATOM 1288 CA LEU A 104 -1.605 -8.502 -3.999 1.00 0.00 C ATOM 1289 C LEU A 104 -2.969 -9.085 -3.650 1.00 0.00 C ATOM 1290 O LEU A 104 -3.907 -8.352 -3.337 1.00 0.00 O ATOM 1291 CB LEU A 104 -0.524 -9.138 -3.122 1.00 0.00 C ATOM 1292 CG LEU A 104 0.909 -8.700 -3.440 1.00 0.00 C ATOM 1293 CD1 LEU A 104 1.651 -8.327 -2.166 1.00 0.00 C ATOM 1294 CD2 LEU A 104 1.648 -9.800 -4.187 1.00 0.00 C ATOM 0 H LEU A 104 -1.853 -6.734 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.393 -8.726 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.737 -8.901 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.587 -10.222 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 104 0.865 -7.819 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.667 -8.019 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.133 -7.506 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.686 -9.189 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.664 -9.472 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.681 -10.699 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.129 -10.018 -5.120 1.00 0.00 H new ATOM 1307 N GLU B 121 6.213 -7.755 15.712 1.00 0.00 N ATOM 1308 CA GLU B 121 7.431 -7.030 15.363 1.00 0.00 C ATOM 1309 C GLU B 121 7.272 -6.315 14.024 1.00 0.00 C ATOM 1310 O GLU B 121 7.508 -6.900 12.966 1.00 0.00 O ATOM 1311 CB GLU B 121 8.622 -7.991 15.309 1.00 0.00 C ATOM 1312 CG GLU B 121 9.670 -7.719 16.376 1.00 0.00 C ATOM 1313 CD GLU B 121 10.515 -6.499 16.067 1.00 0.00 C ATOM 1314 OE1 GLU B 121 10.769 -6.241 14.872 1.00 0.00 O ATOM 1315 OE2 GLU B 121 10.923 -5.802 17.020 1.00 0.00 O ATOM 0 HA GLU B 121 7.615 -6.281 16.133 1.00 0.00 H new ATOM 0 HB2 GLU B 121 8.259 -9.013 15.420 1.00 0.00 H new ATOM 0 HB3 GLU B 121 9.089 -7.923 14.327 1.00 0.00 H new ATOM 0 HG2 GLU B 121 9.176 -7.580 17.338 1.00 0.00 H new ATOM 0 HG3 GLU B 121 10.318 -8.590 16.473 1.00 0.00 H new ATOM 1322 N SER B 122 6.874 -5.050 14.079 1.00 0.00 N ATOM 1323 CA SER B 122 6.684 -4.255 12.871 1.00 0.00 C ATOM 1324 C SER B 122 7.045 -2.794 13.117 1.00 0.00 C ATOM 1325 O SER B 122 6.450 -2.134 13.969 1.00 0.00 O ATOM 1326 CB SER B 122 5.237 -4.362 12.386 1.00 0.00 C ATOM 1327 OG SER B 122 4.842 -5.715 12.248 1.00 0.00 O ATOM 0 H SER B 122 6.676 -4.552 14.947 1.00 0.00 H new ATOM 0 HA SER B 122 7.347 -4.648 12.100 1.00 0.00 H new ATOM 0 HB2 SER B 122 4.576 -3.858 13.091 1.00 0.00 H new ATOM 0 HB3 SER B 122 5.133 -3.850 11.429 1.00 0.00 H new ATOM 0 HG SER B 122 3.879 -5.793 12.414 1.00 0.00 H new ATOM 1333 N VAL B 123 8.022 -2.295 12.368 1.00 0.00 N ATOM 1334 CA VAL B 123 8.461 -0.912 12.506 1.00 0.00 C ATOM 1335 C VAL B 123 7.391 0.056 12.013 1.00 0.00 C ATOM 1336 O VAL B 123 6.861 -0.096 10.912 1.00 0.00 O ATOM 1337 CB VAL B 123 9.764 -0.656 11.727 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.313 0.727 12.045 1.00 0.00 C ATOM 1339 CG2 VAL B 123 10.795 -1.730 12.041 1.00 0.00 C ATOM 0 H VAL B 123 8.525 -2.828 11.659 1.00 0.00 H new ATOM 0 HA VAL B 123 8.641 -0.742 13.568 1.00 0.00 H new ATOM 0 HB VAL B 123 9.542 -0.699 10.661 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.234 0.890 11.485 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.579 1.483 11.765 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.519 0.800 13.113 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.709 -1.532 11.481 1.00 0.00 H new ATOM 0 HG22 VAL B 123 11.015 -1.722 13.109 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.401 -2.706 11.759 1.00 0.00 H new ATOM 1349 N LYS B 124 7.079 1.053 12.834 1.00 0.00 N ATOM 1350 CA LYS B 124 6.074 2.049 12.480 1.00 0.00 C ATOM 1351 C LYS B 124 6.731 3.364 12.078 1.00 0.00 C ATOM 1352 O LYS B 124 7.488 3.953 12.851 1.00 0.00 O ATOM 1353 CB LYS B 124 5.120 2.281 13.653 1.00 0.00 C ATOM 1354 CG LYS B 124 3.710 2.654 13.226 1.00 0.00 C ATOM 1355 CD LYS B 124 3.654 4.062 12.654 1.00 0.00 C ATOM 1356 CE LYS B 124 4.101 5.096 13.675 1.00 0.00 C ATOM 1357 NZ LYS B 124 3.377 6.388 13.510 1.00 0.00 N ATOM 0 H LYS B 124 7.507 1.193 13.749 1.00 0.00 H new ATOM 0 HA LYS B 124 5.508 1.671 11.629 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.079 1.378 14.262 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.521 3.073 14.285 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.355 1.943 12.480 1.00 0.00 H new ATOM 0 HG3 LYS B 124 3.038 2.581 14.081 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.290 4.123 11.771 1.00 0.00 H new ATOM 0 HD3 LYS B 124 2.637 4.284 12.331 1.00 0.00 H new ATOM 0 HE2 LYS B 124 3.931 4.711 14.680 1.00 0.00 H new ATOM 0 HE3 LYS B 124 5.173 5.265 13.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 3.710 7.066 14.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 3.559 6.769 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 2.356 6.232 13.631 1.00 0.00 H new ATOM 1371 N ILE B 125 6.440 3.821 10.865 1.00 0.00 N ATOM 1372 CA ILE B 125 7.005 5.068 10.362 1.00 0.00 C ATOM 1373 C ILE B 125 5.947 5.902 9.647 1.00 0.00 C ATOM 1374 O ILE B 125 4.745 5.603 9.815 1.00 0.00 O ATOM 1375 CB ILE B 125 8.174 4.806 9.394 1.00 0.00 C ATOM 1376 CG1 ILE B 125 7.754 3.821 8.303 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.383 4.279 10.154 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.168 4.489 7.079 1.00 0.00 C ATOM 1379 OXT ILE B 125 6.329 6.847 8.926 1.00 0.00 O ATOM 0 H ILE B 125 5.816 3.347 10.212 1.00 0.00 H new ATOM 0 HA ILE B 125 7.375 5.618 11.227 1.00 0.00 H new ATOM 0 HB ILE B 125 8.449 5.748 8.919 1.00 0.00 H new ATOM 0 HG12 ILE B 125 8.620 3.230 8.005 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.021 3.127 8.714 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.201 4.099 9.456 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.695 5.014 10.896 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.120 3.347 10.654 1.00 0.00 H new ATOM 0 HD11 ILE B 125 6.893 3.730 6.347 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.282 5.057 7.363 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.906 5.162 6.643 1.00 0.00 H new