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 36 SER OG : rot -145:sc= -0.812 USER MOD Set 1.2: B 122 SER OG : rot -150:sc= 0.277 USER MOD Set 2.1: A 101 TYR OH : rot 63:sc= -3.72! USER MOD Set 2.2: A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 26 GLN : amide:sc= -3.41 K(o=-3.4,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= -5.77! (180deg=-6.03!) USER MOD Single : A 30 GLN : amide:sc= -1.67 K(o=-1.7,f=-5.6!) USER MOD Single : A 31 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.3) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 55 ASN : amide:sc= -1.35 K(o=-1.4,f=-0.19) USER MOD Single : A 56 THR OG1 : rot -124:sc= 1.15 USER MOD Single : A 63 THR OG1 : rot -130:sc= -0.313 USER MOD Single : A 71 THR OG1 : rot -53:sc= 0.0515 USER MOD Single : A 74 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.15) 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+ -127:sc= 0 (180deg=-0.112) USER MOD Single : A 88 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.162) USER MOD Single : A 89 MET CE :methyl 178:sc= -1.47 (180deg=-1.56) USER MOD Single : A 91 GLN : amide:sc= -3.53! C(o=-3.5!,f=-3.7!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HE2:sc= -2.84 X(o=-2.8,f=-3.3!) USER MOD Single : A 102 ASN : amide:sc= -0.798 K(o=-0.8,f=-4.4!) USER MOD Single : B 124 LYS NZ :NH3+ 157:sc=0.000726 (180deg=-0.0597) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 19 -0.635 -5.350 -9.356 1.00 0.00 N ATOM 16 CA VAL A 19 -0.782 -4.084 -10.065 1.00 0.00 C ATOM 17 C VAL A 19 0.065 -2.988 -9.416 1.00 0.00 C ATOM 18 O VAL A 19 -0.372 -2.333 -8.470 1.00 0.00 O ATOM 19 CB VAL A 19 -2.258 -3.633 -10.106 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.811 -3.465 -8.699 1.00 0.00 C ATOM 21 CG2 VAL A 19 -2.403 -2.344 -10.903 1.00 0.00 C ATOM 0 HA VAL A 19 -0.434 -4.246 -11.085 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.838 -4.409 -10.605 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.852 -3.147 -8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.749 -4.415 -8.168 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.229 -2.713 -8.167 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.450 -2.043 -10.920 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.807 -1.559 -10.437 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.055 -2.506 -11.923 1.00 0.00 H new ATOM 31 N PRO A 20 1.294 -2.773 -9.920 1.00 0.00 N ATOM 32 CA PRO A 20 2.200 -1.752 -9.383 1.00 0.00 C ATOM 33 C PRO A 20 1.527 -0.388 -9.255 1.00 0.00 C ATOM 34 O PRO A 20 0.953 0.124 -10.216 1.00 0.00 O ATOM 35 CB PRO A 20 3.325 -1.697 -10.417 1.00 0.00 C ATOM 36 CG PRO A 20 3.330 -3.050 -11.042 1.00 0.00 C ATOM 37 CD PRO A 20 1.898 -3.510 -11.048 1.00 0.00 C ATOM 0 HA PRO A 20 2.539 -1.997 -8.376 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.144 -0.919 -11.158 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.283 -1.474 -9.948 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.731 -3.010 -12.055 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.958 -3.738 -10.477 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.405 -3.275 -11.991 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.822 -4.588 -10.909 1.00 0.00 H new ATOM 45 N GLY A 21 1.605 0.194 -8.063 1.00 0.00 N ATOM 46 CA GLY A 21 1.000 1.493 -7.831 1.00 0.00 C ATOM 47 C GLY A 21 1.819 2.353 -6.889 1.00 0.00 C ATOM 48 O GLY A 21 2.257 1.890 -5.836 1.00 0.00 O ATOM 0 H GLY A 21 2.076 -0.210 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.883 2.011 -8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.001 1.357 -7.418 1.00 0.00 H new ATOM 52 N LYS A 22 2.029 3.609 -7.270 1.00 0.00 N ATOM 53 CA LYS A 22 2.802 4.536 -6.453 1.00 0.00 C ATOM 54 C LYS A 22 1.943 5.715 -6.008 1.00 0.00 C ATOM 55 O LYS A 22 1.403 6.450 -6.835 1.00 0.00 O ATOM 56 CB LYS A 22 4.019 5.041 -7.229 1.00 0.00 C ATOM 57 CG LYS A 22 3.662 5.769 -8.516 1.00 0.00 C ATOM 58 CD LYS A 22 4.846 5.835 -9.465 1.00 0.00 C ATOM 59 CE LYS A 22 4.902 7.170 -10.190 1.00 0.00 C ATOM 60 NZ LYS A 22 5.882 8.101 -9.565 1.00 0.00 N ATOM 0 H LYS A 22 1.674 4.008 -8.139 1.00 0.00 H new ATOM 0 HA LYS A 22 3.142 4.002 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.594 5.711 -6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.664 4.195 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.831 5.260 -9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.325 6.779 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.770 5.683 -8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.776 5.027 -10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.172 7.005 -11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.913 7.627 -10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.890 8.999 -10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.611 8.279 -8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.831 7.676 -9.592 1.00 0.00 H new ATOM 74 N VAL A 23 1.822 5.892 -4.696 1.00 0.00 N ATOM 75 CA VAL A 23 1.030 6.984 -4.142 1.00 0.00 C ATOM 76 C VAL A 23 1.925 8.053 -3.522 1.00 0.00 C ATOM 77 O VAL A 23 2.866 7.741 -2.791 1.00 0.00 O ATOM 78 CB VAL A 23 0.035 6.473 -3.079 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.774 5.839 -1.910 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.867 7.604 -2.602 1.00 0.00 C ATOM 0 H VAL A 23 2.262 5.293 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 23 0.470 7.422 -4.968 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.592 5.708 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.053 5.486 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.368 4.998 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.430 6.578 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.562 7.224 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.258 8.395 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.428 8.003 -3.447 1.00 0.00 H new ATOM 90 N THR A 24 1.626 9.313 -3.822 1.00 0.00 N ATOM 91 CA THR A 24 2.403 10.427 -3.296 1.00 0.00 C ATOM 92 C THR A 24 1.750 11.007 -2.046 1.00 0.00 C ATOM 93 O THR A 24 0.858 11.850 -2.134 1.00 0.00 O ATOM 94 CB THR A 24 2.554 11.517 -4.358 1.00 0.00 C ATOM 95 OG1 THR A 24 2.988 10.963 -5.588 1.00 0.00 O ATOM 96 CG2 THR A 24 3.537 12.601 -3.971 1.00 0.00 C ATOM 0 H THR A 24 0.851 9.587 -4.426 1.00 0.00 H new ATOM 0 HA THR A 24 3.390 10.052 -3.026 1.00 0.00 H new ATOM 0 HB THR A 24 1.565 11.964 -4.453 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.077 11.676 -6.255 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.595 13.341 -4.769 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.204 13.083 -3.052 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.521 12.160 -3.813 1.00 0.00 H new ATOM 104 N LEU A 25 2.199 10.548 -0.882 1.00 0.00 N ATOM 105 CA LEU A 25 1.659 11.021 0.386 1.00 0.00 C ATOM 106 C LEU A 25 2.638 11.965 1.076 1.00 0.00 C ATOM 107 O LEU A 25 3.854 11.823 0.940 1.00 0.00 O ATOM 108 CB LEU A 25 1.342 9.836 1.302 1.00 0.00 C ATOM 109 CG LEU A 25 0.304 8.855 0.754 1.00 0.00 C ATOM 110 CD1 LEU A 25 0.722 7.420 1.035 1.00 0.00 C ATOM 111 CD2 LEU A 25 -1.066 9.138 1.353 1.00 0.00 C ATOM 0 H LEU A 25 2.936 9.849 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 25 0.739 11.569 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.265 9.292 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.987 10.220 2.258 1.00 0.00 H new ATOM 0 HG LEU A 25 0.243 8.989 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.029 6.738 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.682 7.221 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.814 7.272 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.792 8.431 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.018 9.033 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.371 10.153 1.100 1.00 0.00 H new ATOM 123 N GLN A 26 2.102 12.928 1.818 1.00 0.00 N ATOM 124 CA GLN A 26 2.929 13.897 2.529 1.00 0.00 C ATOM 125 C GLN A 26 3.164 13.456 3.970 1.00 0.00 C ATOM 126 O GLN A 26 2.408 12.649 4.513 1.00 0.00 O ATOM 127 CB GLN A 26 2.270 15.278 2.506 1.00 0.00 C ATOM 128 CG GLN A 26 2.725 16.151 1.348 1.00 0.00 C ATOM 129 CD GLN A 26 2.141 15.711 0.019 1.00 0.00 C ATOM 130 OE1 GLN A 26 1.976 14.518 -0.234 1.00 0.00 O ATOM 131 NE2 GLN A 26 1.825 16.675 -0.837 1.00 0.00 N ATOM 0 H GLN A 26 1.098 13.059 1.943 1.00 0.00 H new ATOM 0 HA GLN A 26 3.893 13.955 2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.188 15.154 2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.487 15.790 3.443 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.437 17.184 1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.813 16.129 1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.979 17.651 -0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.428 16.439 -1.747 1.00 0.00 H new ATOM 140 N LYS A 27 4.213 13.991 4.586 1.00 0.00 N ATOM 141 CA LYS A 27 4.545 13.651 5.964 1.00 0.00 C ATOM 142 C LYS A 27 3.616 14.369 6.939 1.00 0.00 C ATOM 143 O LYS A 27 3.067 15.425 6.625 1.00 0.00 O ATOM 144 CB LYS A 27 6.001 14.014 6.265 1.00 0.00 C ATOM 145 CG LYS A 27 7.006 13.229 5.437 1.00 0.00 C ATOM 146 CD LYS A 27 7.511 12.007 6.186 1.00 0.00 C ATOM 147 CE LYS A 27 8.223 11.041 5.255 1.00 0.00 C ATOM 148 NZ LYS A 27 7.293 10.024 4.690 1.00 0.00 N ATOM 0 H LYS A 27 4.848 14.662 4.152 1.00 0.00 H new ATOM 0 HA LYS A 27 4.414 12.576 6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.146 15.079 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.199 13.840 7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.543 12.918 4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.847 13.872 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.191 12.319 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.674 11.501 6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.689 11.598 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.024 10.538 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.800 9.438 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.932 9.420 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.497 10.503 4.223 1.00 0.00 H new ATOM 162 N ASP A 28 3.444 13.787 8.121 1.00 0.00 N ATOM 163 CA ASP A 28 2.580 14.370 9.141 1.00 0.00 C ATOM 164 C ASP A 28 3.321 15.440 9.939 1.00 0.00 C ATOM 165 O ASP A 28 4.417 15.857 9.566 1.00 0.00 O ATOM 166 CB ASP A 28 2.064 13.281 10.084 1.00 0.00 C ATOM 167 CG ASP A 28 0.614 13.492 10.473 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.135 14.096 9.674 1.00 0.00 O ATOM 169 OD2 ASP A 28 0.225 13.057 11.577 1.00 0.00 O ATOM 0 H ASP A 28 3.891 12.913 8.396 1.00 0.00 H new ATOM 0 HA ASP A 28 1.734 14.839 8.639 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.171 12.308 9.604 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.679 13.262 10.983 1.00 0.00 H new ATOM 174 N ALA A 29 2.714 15.876 11.038 1.00 0.00 N ATOM 175 CA ALA A 29 3.316 16.896 11.889 1.00 0.00 C ATOM 176 C ALA A 29 4.606 16.388 12.524 1.00 0.00 C ATOM 177 O ALA A 29 5.545 17.152 12.743 1.00 0.00 O ATOM 178 CB ALA A 29 2.332 17.332 12.965 1.00 0.00 C ATOM 0 H ALA A 29 1.807 15.539 11.360 1.00 0.00 H new ATOM 0 HA ALA A 29 3.562 17.756 11.266 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.794 18.094 13.593 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.438 17.742 12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.059 16.473 13.578 1.00 0.00 H new ATOM 184 N GLN A 30 4.644 15.092 12.815 1.00 0.00 N ATOM 185 CA GLN A 30 5.822 14.480 13.424 1.00 0.00 C ATOM 186 C GLN A 30 6.676 13.782 12.369 1.00 0.00 C ATOM 187 O GLN A 30 7.402 12.837 12.673 1.00 0.00 O ATOM 188 CB GLN A 30 5.413 13.471 14.507 1.00 0.00 C ATOM 189 CG GLN A 30 3.977 13.620 14.988 1.00 0.00 C ATOM 190 CD GLN A 30 3.001 12.796 14.170 1.00 0.00 C ATOM 191 OE1 GLN A 30 3.402 11.970 13.351 1.00 0.00 O ATOM 192 NE2 GLN A 30 1.710 13.020 14.389 1.00 0.00 N ATOM 0 H GLN A 30 3.875 14.445 12.640 1.00 0.00 H new ATOM 0 HA GLN A 30 6.409 15.275 13.885 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.551 12.462 14.119 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.083 13.579 15.360 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.915 13.319 16.034 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.689 14.670 14.941 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.423 13.715 15.078 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.006 12.497 13.868 1.00 0.00 H new ATOM 201 N ASN A 31 6.577 14.251 11.127 1.00 0.00 N ATOM 202 CA ASN A 31 7.338 13.665 10.027 1.00 0.00 C ATOM 203 C ASN A 31 7.110 12.159 9.953 1.00 0.00 C ATOM 204 O ASN A 31 7.985 11.408 9.523 1.00 0.00 O ATOM 205 CB ASN A 31 8.829 13.964 10.194 1.00 0.00 C ATOM 206 CG ASN A 31 9.494 14.334 8.882 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.587 15.511 8.530 1.00 0.00 O ATOM 208 ND2 ASN A 31 9.961 13.329 8.151 1.00 0.00 N ATOM 0 H ASN A 31 5.979 15.033 10.858 1.00 0.00 H new ATOM 0 HA ASN A 31 6.990 14.112 9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.956 14.780 10.906 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.327 13.092 10.617 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.419 13.517 7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.862 12.369 8.481 1.00 0.00 H new ATOM 215 N LEU A 32 5.928 11.726 10.381 1.00 0.00 N ATOM 216 CA LEU A 32 5.581 10.310 10.371 1.00 0.00 C ATOM 217 C LEU A 32 4.297 10.069 9.584 1.00 0.00 C ATOM 218 O LEU A 32 3.199 10.353 10.065 1.00 0.00 O ATOM 219 CB LEU A 32 5.418 9.797 11.803 1.00 0.00 C ATOM 220 CG LEU A 32 6.726 9.540 12.554 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.518 9.685 14.053 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.270 8.161 12.218 1.00 0.00 C ATOM 0 H LEU A 32 5.194 12.337 10.739 1.00 0.00 H new ATOM 0 HA LEU A 32 6.390 9.766 9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.830 10.521 12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.844 8.871 11.777 1.00 0.00 H new ATOM 0 HG LEU A 32 7.458 10.283 12.238 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.459 9.499 14.571 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.175 10.695 14.277 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.771 8.965 14.388 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.201 7.995 12.761 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.542 7.403 12.506 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.458 8.095 11.146 1.00 0.00 H new ATOM 234 N ILE A 33 4.439 9.544 8.371 1.00 0.00 N ATOM 235 CA ILE A 33 3.289 9.267 7.518 1.00 0.00 C ATOM 236 C ILE A 33 2.315 8.313 8.202 1.00 0.00 C ATOM 237 O ILE A 33 1.111 8.350 7.946 1.00 0.00 O ATOM 238 CB ILE A 33 3.718 8.665 6.166 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.734 7.541 6.377 1.00 0.00 C ATOM 240 CG2 ILE A 33 4.297 9.745 5.265 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.974 6.703 5.141 1.00 0.00 C ATOM 0 H ILE A 33 5.339 9.302 7.957 1.00 0.00 H new ATOM 0 HA ILE A 33 2.794 10.221 7.338 1.00 0.00 H new ATOM 0 HB ILE A 33 2.838 8.245 5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.680 7.974 6.702 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.386 6.894 7.183 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.595 9.304 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.545 10.514 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.167 10.193 5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.705 5.926 5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.038 6.241 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.352 7.337 4.339 1.00 0.00 H new ATOM 253 N GLY A 34 2.841 7.462 9.076 1.00 0.00 N ATOM 254 CA GLY A 34 2.002 6.517 9.787 1.00 0.00 C ATOM 255 C GLY A 34 1.754 5.244 9.001 1.00 0.00 C ATOM 256 O GLY A 34 0.728 5.108 8.337 1.00 0.00 O ATOM 0 H GLY A 34 3.834 7.410 9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.471 6.266 10.738 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.047 6.988 10.018 1.00 0.00 H new ATOM 260 N ILE A 35 2.695 4.307 9.085 1.00 0.00 N ATOM 261 CA ILE A 35 2.575 3.032 8.386 1.00 0.00 C ATOM 262 C ILE A 35 3.525 1.997 8.981 1.00 0.00 C ATOM 263 O ILE A 35 4.736 2.218 9.048 1.00 0.00 O ATOM 264 CB ILE A 35 2.873 3.173 6.880 1.00 0.00 C ATOM 265 CG1 ILE A 35 4.161 3.968 6.662 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.706 3.838 6.165 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.871 3.625 5.372 1.00 0.00 C ATOM 0 H ILE A 35 3.550 4.408 9.631 1.00 0.00 H new ATOM 0 HA ILE A 35 1.543 2.702 8.510 1.00 0.00 H new ATOM 0 HB ILE A 35 3.009 2.176 6.460 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.927 5.032 6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.836 3.787 7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.934 3.929 5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.809 3.233 6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.538 4.829 6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.776 4.227 5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.137 2.568 5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.213 3.833 4.528 1.00 0.00 H new ATOM 279 N SER A 36 2.974 0.869 9.411 1.00 0.00 N ATOM 280 CA SER A 36 3.776 -0.196 10.000 1.00 0.00 C ATOM 281 C SER A 36 4.236 -1.181 8.930 1.00 0.00 C ATOM 282 O SER A 36 3.444 -1.625 8.100 1.00 0.00 O ATOM 283 CB SER A 36 2.979 -0.928 11.081 1.00 0.00 C ATOM 284 OG SER A 36 3.837 -1.646 11.950 1.00 0.00 O ATOM 0 H SER A 36 1.975 0.668 9.363 1.00 0.00 H new ATOM 0 HA SER A 36 4.657 0.255 10.457 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.394 -0.209 11.655 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.272 -1.614 10.614 1.00 0.00 H new ATOM 0 HG SER A 36 3.400 -2.478 12.228 1.00 0.00 H new ATOM 290 N ILE A 37 5.520 -1.519 8.957 1.00 0.00 N ATOM 291 CA ILE A 37 6.084 -2.452 7.990 1.00 0.00 C ATOM 292 C ILE A 37 6.727 -3.645 8.689 1.00 0.00 C ATOM 293 O ILE A 37 6.791 -3.697 9.917 1.00 0.00 O ATOM 294 CB ILE A 37 7.139 -1.767 7.097 1.00 0.00 C ATOM 295 CG1 ILE A 37 8.171 -1.035 7.958 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.467 -0.806 6.129 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.597 -1.246 7.500 1.00 0.00 C ATOM 0 H ILE A 37 6.190 -1.161 9.638 1.00 0.00 H new ATOM 0 HA ILE A 37 5.260 -2.798 7.367 1.00 0.00 H new ATOM 0 HB ILE A 37 7.657 -2.531 6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.949 0.032 7.949 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.076 -1.372 8.990 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.223 -0.330 5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.769 -1.355 5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.927 -0.043 6.690 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.274 -0.699 8.155 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.837 -2.309 7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.708 -0.883 6.478 1.00 0.00 H new ATOM 309 N GLY A 38 7.201 -4.603 7.899 1.00 0.00 N ATOM 310 CA GLY A 38 7.833 -5.783 8.459 1.00 0.00 C ATOM 311 C GLY A 38 8.702 -6.509 7.453 1.00 0.00 C ATOM 312 O GLY A 38 8.250 -6.848 6.360 1.00 0.00 O ATOM 0 H GLY A 38 7.159 -4.583 6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.440 -5.493 9.317 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.064 -6.462 8.827 1.00 0.00 H new ATOM 316 N GLY A 39 9.956 -6.751 7.823 1.00 0.00 N ATOM 317 CA GLY A 39 10.871 -7.441 6.932 1.00 0.00 C ATOM 318 C GLY A 39 12.164 -7.831 7.618 1.00 0.00 C ATOM 319 O GLY A 39 12.654 -7.114 8.492 1.00 0.00 O ATOM 0 H GLY A 39 10.354 -6.482 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.387 -8.336 6.541 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.095 -6.801 6.079 1.00 0.00 H new ATOM 414 N LEU A 47 10.426 -6.492 2.314 1.00 0.00 N ATOM 415 CA LEU A 47 9.630 -5.700 3.245 1.00 0.00 C ATOM 416 C LEU A 47 8.186 -5.596 2.771 1.00 0.00 C ATOM 417 O LEU A 47 7.922 -5.519 1.571 1.00 0.00 O ATOM 418 CB LEU A 47 10.231 -4.300 3.400 1.00 0.00 C ATOM 419 CG LEU A 47 11.303 -4.169 4.483 1.00 0.00 C ATOM 420 CD1 LEU A 47 10.689 -4.334 5.865 1.00 0.00 C ATOM 421 CD2 LEU A 47 12.408 -5.190 4.264 1.00 0.00 C ATOM 0 HA LEU A 47 9.641 -6.201 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.663 -3.999 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.426 -3.599 3.621 1.00 0.00 H new ATOM 0 HG LEU A 47 11.738 -3.172 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.467 -4.238 6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.933 -3.565 6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.227 -5.318 5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.162 -5.083 5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.988 -6.195 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.868 -5.025 3.289 1.00 0.00 H new ATOM 433 N TYR A 48 7.252 -5.597 3.718 1.00 0.00 N ATOM 434 CA TYR A 48 5.835 -5.504 3.389 1.00 0.00 C ATOM 435 C TYR A 48 5.055 -4.819 4.506 1.00 0.00 C ATOM 436 O TYR A 48 5.376 -4.969 5.685 1.00 0.00 O ATOM 437 CB TYR A 48 5.256 -6.896 3.132 1.00 0.00 C ATOM 438 CG TYR A 48 6.048 -7.706 2.129 1.00 0.00 C ATOM 439 CD1 TYR A 48 6.052 -7.366 0.782 1.00 0.00 C ATOM 440 CD2 TYR A 48 6.792 -8.809 2.530 1.00 0.00 C ATOM 441 CE1 TYR A 48 6.775 -8.102 -0.137 1.00 0.00 C ATOM 442 CE2 TYR A 48 7.517 -9.550 1.616 1.00 0.00 C ATOM 443 CZ TYR A 48 7.504 -9.193 0.284 1.00 0.00 C ATOM 444 OH TYR A 48 8.225 -9.929 -0.628 1.00 0.00 O ATOM 0 H TYR A 48 7.451 -5.661 4.716 1.00 0.00 H new ATOM 0 HA TYR A 48 5.741 -4.903 2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.213 -7.442 4.074 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.231 -6.794 2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.481 -6.513 0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.804 -9.092 3.572 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.769 -7.824 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.091 -10.404 1.943 1.00 0.00 H new ATOM 0 HH TYR A 48 8.683 -10.663 -0.167 1.00 0.00 H new ATOM 454 N ILE A 49 4.023 -4.071 4.126 1.00 0.00 N ATOM 455 CA ILE A 49 3.189 -3.366 5.092 1.00 0.00 C ATOM 456 C ILE A 49 2.345 -4.351 5.894 1.00 0.00 C ATOM 457 O ILE A 49 1.940 -5.394 5.382 1.00 0.00 O ATOM 458 CB ILE A 49 2.264 -2.352 4.392 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.064 -1.493 3.406 1.00 0.00 C ATOM 460 CG2 ILE A 49 1.561 -1.477 5.420 1.00 0.00 C ATOM 461 CD1 ILE A 49 2.505 -1.508 1.999 1.00 0.00 C ATOM 0 H ILE A 49 3.745 -3.938 3.154 1.00 0.00 H new ATOM 0 HA ILE A 49 3.854 -2.827 5.767 1.00 0.00 H new ATOM 0 HB ILE A 49 1.505 -2.900 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.087 -0.465 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.095 -1.846 3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.911 -0.766 4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.964 -2.103 6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.304 -0.934 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.121 -0.879 1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.507 -2.529 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.484 -1.127 2.009 1.00 0.00 H new ATOM 473 N VAL A 50 2.090 -4.024 7.159 1.00 0.00 N ATOM 474 CA VAL A 50 1.302 -4.897 8.024 1.00 0.00 C ATOM 475 C VAL A 50 -0.018 -4.249 8.436 1.00 0.00 C ATOM 476 O VAL A 50 -1.073 -4.879 8.362 1.00 0.00 O ATOM 477 CB VAL A 50 2.085 -5.290 9.292 1.00 0.00 C ATOM 478 CG1 VAL A 50 3.314 -6.110 8.928 1.00 0.00 C ATOM 479 CG2 VAL A 50 2.476 -4.055 10.090 1.00 0.00 C ATOM 0 H VAL A 50 2.415 -3.166 7.605 1.00 0.00 H new ATOM 0 HA VAL A 50 1.088 -5.792 7.441 1.00 0.00 H new ATOM 0 HB VAL A 50 1.437 -5.904 9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.854 -6.378 9.836 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.005 -7.017 8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.964 -5.523 8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.028 -4.357 10.980 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.103 -3.409 9.476 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.577 -3.514 10.386 1.00 0.00 H new ATOM 489 N GLN A 51 0.042 -2.996 8.875 1.00 0.00 N ATOM 490 CA GLN A 51 -1.161 -2.286 9.302 1.00 0.00 C ATOM 491 C GLN A 51 -0.881 -0.801 9.514 1.00 0.00 C ATOM 492 O GLN A 51 0.214 -0.415 9.922 1.00 0.00 O ATOM 493 CB GLN A 51 -1.704 -2.903 10.593 1.00 0.00 C ATOM 494 CG GLN A 51 -2.995 -2.266 11.078 1.00 0.00 C ATOM 495 CD GLN A 51 -4.107 -3.277 11.283 1.00 0.00 C ATOM 496 OE1 GLN A 51 -4.666 -3.392 12.373 1.00 0.00 O ATOM 497 NE2 GLN A 51 -4.431 -4.020 10.231 1.00 0.00 N ATOM 0 H GLN A 51 0.903 -2.454 8.945 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.907 -2.382 8.513 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.872 -3.968 10.434 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.949 -2.813 11.374 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.807 -1.744 12.016 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.319 -1.517 10.356 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.941 -3.891 9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.170 -4.719 10.308 1.00 0.00 H new ATOM 506 N VAL A 52 -1.885 0.026 9.236 1.00 0.00 N ATOM 507 CA VAL A 52 -1.756 1.471 9.397 1.00 0.00 C ATOM 508 C VAL A 52 -2.446 1.940 10.675 1.00 0.00 C ATOM 509 O VAL A 52 -3.242 1.212 11.265 1.00 0.00 O ATOM 510 CB VAL A 52 -2.362 2.232 8.200 1.00 0.00 C ATOM 511 CG1 VAL A 52 -1.856 3.665 8.163 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.051 1.518 6.893 1.00 0.00 C ATOM 0 H VAL A 52 -2.797 -0.280 8.898 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.689 1.687 9.453 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.445 2.255 8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.295 4.184 7.311 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.139 4.175 9.084 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.770 3.665 8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.488 2.072 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.971 1.457 6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.471 0.512 6.919 1.00 0.00 H new ATOM 522 N PHE A 53 -2.137 3.164 11.092 1.00 0.00 N ATOM 523 CA PHE A 53 -2.730 3.734 12.294 1.00 0.00 C ATOM 524 C PHE A 53 -3.636 4.909 11.942 1.00 0.00 C ATOM 525 O PHE A 53 -3.307 5.720 11.077 1.00 0.00 O ATOM 526 CB PHE A 53 -1.638 4.185 13.265 1.00 0.00 C ATOM 527 CG PHE A 53 -0.989 3.049 14.004 1.00 0.00 C ATOM 528 CD1 PHE A 53 -0.095 2.209 13.360 1.00 0.00 C ATOM 529 CD2 PHE A 53 -1.275 2.821 15.340 1.00 0.00 C ATOM 530 CE1 PHE A 53 0.502 1.161 14.035 1.00 0.00 C ATOM 531 CE2 PHE A 53 -0.681 1.776 16.020 1.00 0.00 C ATOM 532 CZ PHE A 53 0.208 0.944 15.367 1.00 0.00 C ATOM 0 H PHE A 53 -1.479 3.779 10.614 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.332 2.964 12.775 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.874 4.732 12.712 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.068 4.879 13.987 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.138 2.375 12.319 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.970 3.467 15.855 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.197 0.513 13.522 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.911 1.609 17.062 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.672 0.125 15.897 1.00 0.00 H new ATOM 542 N ASP A 54 -4.778 4.991 12.612 1.00 0.00 N ATOM 543 CA ASP A 54 -5.735 6.063 12.363 1.00 0.00 C ATOM 544 C ASP A 54 -5.110 7.432 12.612 1.00 0.00 C ATOM 545 O ASP A 54 -4.081 7.547 13.276 1.00 0.00 O ATOM 546 CB ASP A 54 -6.969 5.887 13.249 1.00 0.00 C ATOM 547 CG ASP A 54 -8.254 6.249 12.530 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.191 7.032 11.559 1.00 0.00 O ATOM 549 OD2 ASP A 54 -9.324 5.749 12.937 1.00 0.00 O ATOM 0 H ASP A 54 -5.065 4.328 13.332 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.032 6.009 11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.025 4.853 13.588 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.866 6.509 14.138 1.00 0.00 H new ATOM 554 N ASN A 55 -5.748 8.470 12.074 1.00 0.00 N ATOM 555 CA ASN A 55 -5.273 9.841 12.235 1.00 0.00 C ATOM 556 C ASN A 55 -3.959 10.079 11.493 1.00 0.00 C ATOM 557 O ASN A 55 -3.306 11.103 11.693 1.00 0.00 O ATOM 558 CB ASN A 55 -5.099 10.178 13.716 1.00 0.00 C ATOM 559 CG ASN A 55 -6.349 9.890 14.525 1.00 0.00 C ATOM 560 OD1 ASN A 55 -7.237 10.734 14.639 1.00 0.00 O ATOM 561 ND2 ASN A 55 -6.423 8.693 15.095 1.00 0.00 N ATOM 0 H ASN A 55 -6.600 8.385 11.520 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.028 10.496 11.801 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.267 9.603 14.121 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.838 11.231 13.818 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.239 8.444 15.653 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.663 8.023 14.975 1.00 0.00 H new ATOM 568 N THR A 56 -3.573 9.141 10.631 1.00 0.00 N ATOM 569 CA THR A 56 -2.339 9.277 9.865 1.00 0.00 C ATOM 570 C THR A 56 -2.645 9.627 8.412 1.00 0.00 C ATOM 571 O THR A 56 -3.692 9.257 7.887 1.00 0.00 O ATOM 572 CB THR A 56 -1.521 7.986 9.930 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.182 6.939 9.245 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.256 7.516 11.343 1.00 0.00 C ATOM 0 H THR A 56 -4.094 8.284 10.447 1.00 0.00 H new ATOM 0 HA THR A 56 -1.755 10.085 10.305 1.00 0.00 H new ATOM 0 HB THR A 56 -0.567 8.225 9.460 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.308 6.179 9.851 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.672 6.596 11.317 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.702 8.283 11.884 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.204 7.329 11.848 1.00 0.00 H new ATOM 582 N PRO A 57 -1.731 10.345 7.739 1.00 0.00 N ATOM 583 CA PRO A 57 -1.916 10.738 6.339 1.00 0.00 C ATOM 584 C PRO A 57 -2.088 9.531 5.424 1.00 0.00 C ATOM 585 O PRO A 57 -2.831 9.581 4.444 1.00 0.00 O ATOM 586 CB PRO A 57 -0.629 11.499 5.995 1.00 0.00 C ATOM 587 CG PRO A 57 0.353 11.100 7.044 1.00 0.00 C ATOM 588 CD PRO A 57 -0.452 10.827 8.281 1.00 0.00 C ATOM 0 HA PRO A 57 -2.818 11.335 6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.270 11.237 5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.795 12.576 6.000 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.912 10.215 6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.081 11.892 7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.024 10.081 8.917 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.582 11.725 8.885 1.00 0.00 H new ATOM 596 N ALA A 58 -1.394 8.446 5.752 1.00 0.00 N ATOM 597 CA ALA A 58 -1.467 7.221 4.963 1.00 0.00 C ATOM 598 C ALA A 58 -2.839 6.567 5.090 1.00 0.00 C ATOM 599 O ALA A 58 -3.343 5.969 4.139 1.00 0.00 O ATOM 600 CB ALA A 58 -0.376 6.254 5.394 1.00 0.00 C ATOM 0 H ALA A 58 -0.774 8.390 6.560 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.315 7.481 3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.441 5.344 4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.600 6.717 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.504 6.008 6.448 1.00 0.00 H new ATOM 606 N ALA A 59 -3.436 6.680 6.273 1.00 0.00 N ATOM 607 CA ALA A 59 -4.749 6.097 6.526 1.00 0.00 C ATOM 608 C ALA A 59 -5.863 7.013 6.033 1.00 0.00 C ATOM 609 O ALA A 59 -6.743 6.590 5.283 1.00 0.00 O ATOM 610 CB ALA A 59 -4.919 5.811 8.011 1.00 0.00 C ATOM 0 H ALA A 59 -3.031 7.170 7.071 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.815 5.160 5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.903 5.376 8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.149 5.112 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.827 6.740 8.573 1.00 0.00 H new ATOM 616 N LEU A 60 -5.820 8.271 6.463 1.00 0.00 N ATOM 617 CA LEU A 60 -6.825 9.253 6.070 1.00 0.00 C ATOM 618 C LEU A 60 -6.984 9.302 4.552 1.00 0.00 C ATOM 619 O LEU A 60 -8.099 9.385 4.039 1.00 0.00 O ATOM 620 CB LEU A 60 -6.446 10.637 6.601 1.00 0.00 C ATOM 621 CG LEU A 60 -6.374 10.750 8.127 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.801 12.097 8.535 1.00 0.00 C ATOM 623 CD2 LEU A 60 -7.751 10.546 8.742 1.00 0.00 C ATOM 0 H LEU A 60 -5.098 8.635 7.085 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.779 8.951 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.478 10.916 6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.172 11.362 6.232 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.712 9.968 8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.757 12.160 9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.797 12.205 8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.437 12.894 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.681 10.630 9.827 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.435 11.305 8.363 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.125 9.557 8.478 1.00 0.00 H new ATOM 635 N ASP A 61 -5.861 9.249 3.841 1.00 0.00 N ATOM 636 CA ASP A 61 -5.881 9.287 2.383 1.00 0.00 C ATOM 637 C ASP A 61 -6.560 8.045 1.816 1.00 0.00 C ATOM 638 O ASP A 61 -7.549 8.142 1.089 1.00 0.00 O ATOM 639 CB ASP A 61 -4.458 9.400 1.834 1.00 0.00 C ATOM 640 CG ASP A 61 -4.028 10.840 1.635 1.00 0.00 C ATOM 641 OD1 ASP A 61 -4.597 11.512 0.749 1.00 0.00 O ATOM 642 OD2 ASP A 61 -3.120 11.295 2.362 1.00 0.00 O ATOM 0 H ASP A 61 -4.929 9.180 4.250 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.451 10.164 2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.767 8.909 2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.395 8.870 0.884 1.00 0.00 H new ATOM 647 N GLY A 62 -6.023 6.877 2.154 1.00 0.00 N ATOM 648 CA GLY A 62 -6.590 5.630 1.669 1.00 0.00 C ATOM 649 C GLY A 62 -5.888 5.119 0.426 1.00 0.00 C ATOM 650 O GLY A 62 -6.421 5.217 -0.679 1.00 0.00 O ATOM 0 H GLY A 62 -5.206 6.771 2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.527 4.876 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.648 5.776 1.451 1.00 0.00 H new ATOM 654 N THR A 63 -4.690 4.573 0.608 1.00 0.00 N ATOM 655 CA THR A 63 -3.915 4.044 -0.509 1.00 0.00 C ATOM 656 C THR A 63 -2.965 2.946 -0.043 1.00 0.00 C ATOM 657 O THR A 63 -3.077 1.794 -0.462 1.00 0.00 O ATOM 658 CB THR A 63 -3.123 5.164 -1.186 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.696 6.429 -0.896 1.00 0.00 O ATOM 660 CG2 THR A 63 -3.055 5.025 -2.691 1.00 0.00 C ATOM 0 H THR A 63 -4.235 4.485 1.517 1.00 0.00 H new ATOM 0 HA THR A 63 -4.613 3.615 -1.229 1.00 0.00 H new ATOM 0 HB THR A 63 -2.112 5.086 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.819 6.931 -1.729 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.479 5.852 -3.107 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.573 4.082 -2.948 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.064 5.041 -3.104 1.00 0.00 H new ATOM 668 N VAL A 64 -2.030 3.310 0.829 1.00 0.00 N ATOM 669 CA VAL A 64 -1.059 2.356 1.351 1.00 0.00 C ATOM 670 C VAL A 64 -1.504 1.804 2.701 1.00 0.00 C ATOM 671 O VAL A 64 -1.695 2.555 3.658 1.00 0.00 O ATOM 672 CB VAL A 64 0.332 2.999 1.507 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.899 3.381 0.147 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.265 4.210 2.427 1.00 0.00 C ATOM 0 H VAL A 64 -1.925 4.259 1.189 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.996 1.541 0.630 1.00 0.00 H new ATOM 0 HB VAL A 64 1.000 2.267 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.882 3.834 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.989 2.489 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.232 4.094 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.258 4.649 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.419 4.948 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.092 3.901 3.409 1.00 0.00 H new ATOM 684 N ALA A 65 -1.666 0.487 2.772 1.00 0.00 N ATOM 685 CA ALA A 65 -2.088 -0.165 4.007 1.00 0.00 C ATOM 686 C ALA A 65 -1.806 -1.663 3.964 1.00 0.00 C ATOM 687 O ALA A 65 -1.111 -2.148 3.071 1.00 0.00 O ATOM 688 CB ALA A 65 -3.565 0.091 4.260 1.00 0.00 C ATOM 0 H ALA A 65 -1.512 -0.149 1.990 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.511 0.261 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.866 -0.401 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.739 1.164 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.150 -0.306 3.430 1.00 0.00 H new ATOM 694 N ALA A 66 -2.349 -2.390 4.936 1.00 0.00 N ATOM 695 CA ALA A 66 -2.156 -3.834 5.011 1.00 0.00 C ATOM 696 C ALA A 66 -2.589 -4.517 3.717 1.00 0.00 C ATOM 697 O ALA A 66 -3.556 -4.103 3.079 1.00 0.00 O ATOM 698 CB ALA A 66 -2.922 -4.407 6.193 1.00 0.00 C ATOM 0 H ALA A 66 -2.926 -2.003 5.683 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.092 -4.025 5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.769 -5.485 6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.562 -3.951 7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.985 -4.196 6.075 1.00 0.00 H new ATOM 704 N GLY A 67 -1.865 -5.565 3.337 1.00 0.00 N ATOM 705 CA GLY A 67 -2.189 -6.287 2.120 1.00 0.00 C ATOM 706 C GLY A 67 -1.361 -5.829 0.937 1.00 0.00 C ATOM 707 O GLY A 67 -1.093 -6.605 0.021 1.00 0.00 O ATOM 0 H GLY A 67 -1.061 -5.927 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.029 -7.353 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.247 -6.154 1.893 1.00 0.00 H new ATOM 711 N ASP A 68 -0.953 -4.563 0.957 1.00 0.00 N ATOM 712 CA ASP A 68 -0.150 -4.002 -0.122 1.00 0.00 C ATOM 713 C ASP A 68 1.295 -4.475 -0.027 1.00 0.00 C ATOM 714 O ASP A 68 1.727 -4.979 1.010 1.00 0.00 O ATOM 715 CB ASP A 68 -0.203 -2.474 -0.081 1.00 0.00 C ATOM 716 CG ASP A 68 -1.561 -1.930 -0.481 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.440 -1.822 0.400 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.745 -1.614 -1.675 1.00 0.00 O ATOM 0 H ASP A 68 -1.166 -3.908 1.709 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.564 -4.349 -1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.040 -2.132 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.558 -2.069 -0.748 1.00 0.00 H new ATOM 723 N GLU A 69 2.040 -4.313 -1.115 1.00 0.00 N ATOM 724 CA GLU A 69 3.438 -4.724 -1.156 1.00 0.00 C ATOM 725 C GLU A 69 4.351 -3.527 -1.401 1.00 0.00 C ATOM 726 O GLU A 69 4.492 -3.064 -2.532 1.00 0.00 O ATOM 727 CB GLU A 69 3.652 -5.775 -2.247 1.00 0.00 C ATOM 728 CG GLU A 69 5.082 -6.284 -2.331 1.00 0.00 C ATOM 729 CD GLU A 69 5.813 -5.772 -3.556 1.00 0.00 C ATOM 730 OE1 GLU A 69 6.209 -4.588 -3.560 1.00 0.00 O ATOM 731 OE2 GLU A 69 5.990 -6.556 -4.514 1.00 0.00 O ATOM 0 H GLU A 69 1.698 -3.899 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 69 3.690 -5.158 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.986 -6.618 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.370 -5.349 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.625 -5.981 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.075 -7.374 -2.346 1.00 0.00 H new ATOM 738 N ILE A 70 4.972 -3.034 -0.334 1.00 0.00 N ATOM 739 CA ILE A 70 5.873 -1.893 -0.437 1.00 0.00 C ATOM 740 C ILE A 70 7.155 -2.277 -1.171 1.00 0.00 C ATOM 741 O ILE A 70 7.731 -3.336 -0.921 1.00 0.00 O ATOM 742 CB ILE A 70 6.231 -1.330 0.955 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.151 -0.113 0.822 1.00 0.00 C ATOM 744 CG2 ILE A 70 6.882 -2.406 1.816 1.00 0.00 C ATOM 745 CD1 ILE A 70 6.878 0.968 1.844 1.00 0.00 C ATOM 0 H ILE A 70 4.868 -3.406 0.610 1.00 0.00 H new ATOM 0 HA ILE A 70 5.351 -1.122 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 70 5.311 -1.011 1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.187 -0.439 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.041 0.308 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.127 -1.991 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.192 -3.240 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.793 -2.757 1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.567 1.798 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.853 1.322 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.017 0.564 2.847 1.00 0.00 H new ATOM 757 N THR A 71 7.595 -1.412 -2.079 1.00 0.00 N ATOM 758 CA THR A 71 8.808 -1.667 -2.850 1.00 0.00 C ATOM 759 C THR A 71 9.320 -0.386 -3.503 1.00 0.00 C ATOM 760 O THR A 71 9.736 -0.394 -4.664 1.00 0.00 O ATOM 761 CB THR A 71 8.539 -2.727 -3.919 1.00 0.00 C ATOM 762 OG1 THR A 71 9.706 -2.974 -4.683 1.00 0.00 O ATOM 763 CG2 THR A 71 7.435 -2.341 -4.879 1.00 0.00 C ATOM 0 H THR A 71 7.132 -0.530 -2.299 1.00 0.00 H new ATOM 0 HA THR A 71 9.574 -2.033 -2.167 1.00 0.00 H new ATOM 0 HB THR A 71 8.228 -3.618 -3.373 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.053 -2.127 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.295 -3.136 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.508 -2.190 -4.326 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.705 -1.418 -5.392 1.00 0.00 H new ATOM 771 N GLY A 72 9.291 0.710 -2.753 1.00 0.00 N ATOM 772 CA GLY A 72 9.759 1.978 -3.280 1.00 0.00 C ATOM 773 C GLY A 72 9.367 3.152 -2.405 1.00 0.00 C ATOM 774 O GLY A 72 8.238 3.225 -1.921 1.00 0.00 O ATOM 0 H GLY A 72 8.952 0.743 -1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.844 1.949 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.353 2.124 -4.281 1.00 0.00 H new ATOM 778 N VAL A 73 10.304 4.075 -2.202 1.00 0.00 N ATOM 779 CA VAL A 73 10.052 5.252 -1.381 1.00 0.00 C ATOM 780 C VAL A 73 10.722 6.488 -1.974 1.00 0.00 C ATOM 781 O VAL A 73 11.947 6.563 -2.056 1.00 0.00 O ATOM 782 CB VAL A 73 10.556 5.053 0.060 1.00 0.00 C ATOM 783 CG1 VAL A 73 10.140 6.222 0.941 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.043 3.738 0.628 1.00 0.00 C ATOM 0 H VAL A 73 11.244 4.029 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 73 8.972 5.398 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 73 11.645 5.014 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.506 6.062 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.563 7.145 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.053 6.298 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.409 3.614 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.953 3.744 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.399 2.912 0.012 1.00 0.00 H new ATOM 794 N ASN A 74 9.908 7.456 -2.387 1.00 0.00 N ATOM 795 CA ASN A 74 10.422 8.689 -2.972 1.00 0.00 C ATOM 796 C ASN A 74 11.249 8.399 -4.221 1.00 0.00 C ATOM 797 O ASN A 74 12.176 9.140 -4.550 1.00 0.00 O ATOM 798 CB ASN A 74 11.272 9.447 -1.950 1.00 0.00 C ATOM 799 CG ASN A 74 11.200 10.950 -2.139 1.00 0.00 C ATOM 800 OD1 ASN A 74 12.222 11.613 -2.324 1.00 0.00 O ATOM 801 ND2 ASN A 74 9.991 11.496 -2.097 1.00 0.00 N ATOM 0 H ASN A 74 8.891 7.410 -2.327 1.00 0.00 H new ATOM 0 HA ASN A 74 9.571 9.306 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.937 9.194 -0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.309 9.123 -2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.881 12.503 -2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.171 10.909 -1.941 1.00 0.00 H new ATOM 808 N GLY A 75 10.907 7.317 -4.914 1.00 0.00 N ATOM 809 CA GLY A 75 11.629 6.950 -6.118 1.00 0.00 C ATOM 810 C GLY A 75 12.708 5.916 -5.859 1.00 0.00 C ATOM 811 O GLY A 75 13.026 5.110 -6.733 1.00 0.00 O ATOM 0 H GLY A 75 10.144 6.689 -4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.926 6.560 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.082 7.842 -6.552 1.00 0.00 H new ATOM 815 N ARG A 76 13.271 5.940 -4.656 1.00 0.00 N ATOM 816 CA ARG A 76 14.321 4.999 -4.285 1.00 0.00 C ATOM 817 C ARG A 76 13.762 3.585 -4.151 1.00 0.00 C ATOM 818 O ARG A 76 12.637 3.392 -3.689 1.00 0.00 O ATOM 819 CB ARG A 76 14.980 5.428 -2.971 1.00 0.00 C ATOM 820 CG ARG A 76 16.356 6.047 -3.157 1.00 0.00 C ATOM 821 CD ARG A 76 17.408 5.335 -2.322 1.00 0.00 C ATOM 822 NE ARG A 76 17.427 3.896 -2.574 1.00 0.00 N ATOM 823 CZ ARG A 76 18.009 3.336 -3.633 1.00 0.00 C ATOM 824 NH1 ARG A 76 18.619 4.089 -4.539 1.00 0.00 N ATOM 825 NH2 ARG A 76 17.978 2.019 -3.784 1.00 0.00 N ATOM 0 H ARG A 76 13.018 6.601 -3.921 1.00 0.00 H new ATOM 0 HA ARG A 76 15.071 5.000 -5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.333 6.145 -2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.066 4.561 -2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.636 6.004 -4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.322 7.100 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 76 18.390 5.754 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.214 5.515 -1.265 1.00 0.00 H new ATOM 0 HE ARG A 76 16.968 3.284 -1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.644 5.102 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.063 3.654 -5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.509 1.437 -3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.423 1.588 -4.594 1.00 0.00 H new ATOM 839 N SER A 77 14.555 2.600 -4.560 1.00 0.00 N ATOM 840 CA SER A 77 14.139 1.204 -4.486 1.00 0.00 C ATOM 841 C SER A 77 14.512 0.598 -3.136 1.00 0.00 C ATOM 842 O SER A 77 15.665 0.662 -2.712 1.00 0.00 O ATOM 843 CB SER A 77 14.784 0.398 -5.615 1.00 0.00 C ATOM 844 OG SER A 77 14.743 1.110 -6.839 1.00 0.00 O ATOM 0 H SER A 77 15.488 2.742 -4.946 1.00 0.00 H new ATOM 0 HA SER A 77 13.055 1.166 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.818 0.170 -5.358 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.266 -0.555 -5.727 1.00 0.00 H new ATOM 0 HG SER A 77 15.163 0.574 -7.544 1.00 0.00 H new ATOM 850 N ILE A 78 13.525 0.008 -2.467 1.00 0.00 N ATOM 851 CA ILE A 78 13.749 -0.611 -1.166 1.00 0.00 C ATOM 852 C ILE A 78 13.875 -2.129 -1.279 1.00 0.00 C ATOM 853 O ILE A 78 14.030 -2.822 -0.273 1.00 0.00 O ATOM 854 CB ILE A 78 12.608 -0.277 -0.185 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.261 -0.727 -0.757 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.593 1.214 0.120 1.00 0.00 C ATOM 857 CD1 ILE A 78 10.555 -1.756 0.098 1.00 0.00 C ATOM 0 H ILE A 78 12.564 -0.054 -2.804 1.00 0.00 H new ATOM 0 HA ILE A 78 14.686 -0.204 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 78 12.780 -0.817 0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.615 0.143 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.418 -1.140 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.782 1.435 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.543 1.503 0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.443 1.773 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.608 -2.028 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.182 -2.643 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.366 -1.339 1.087 1.00 0.00 H new ATOM 869 N LYS A 79 13.809 -2.646 -2.504 1.00 0.00 N ATOM 870 CA LYS A 79 13.917 -4.082 -2.733 1.00 0.00 C ATOM 871 C LYS A 79 15.293 -4.595 -2.322 1.00 0.00 C ATOM 872 O LYS A 79 16.182 -4.758 -3.157 1.00 0.00 O ATOM 873 CB LYS A 79 13.656 -4.407 -4.205 1.00 0.00 C ATOM 874 CG LYS A 79 12.211 -4.778 -4.498 1.00 0.00 C ATOM 875 CD LYS A 79 12.119 -5.969 -5.441 1.00 0.00 C ATOM 876 CE LYS A 79 11.188 -5.687 -6.610 1.00 0.00 C ATOM 877 NZ LYS A 79 10.856 -6.925 -7.369 1.00 0.00 N ATOM 0 H LYS A 79 13.681 -2.092 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 79 13.165 -4.580 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.932 -3.546 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.303 -5.231 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.698 -5.011 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.697 -3.924 -4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.112 -6.214 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.762 -6.841 -4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.270 -5.231 -6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.655 -4.965 -7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.220 -6.689 -8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.729 -7.347 -7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.387 -7.604 -6.737 1.00 0.00 H new ATOM 891 N GLY A 80 15.462 -4.849 -1.029 1.00 0.00 N ATOM 892 CA GLY A 80 16.734 -5.342 -0.529 1.00 0.00 C ATOM 893 C GLY A 80 17.265 -4.513 0.623 1.00 0.00 C ATOM 894 O GLY A 80 18.457 -4.211 0.680 1.00 0.00 O ATOM 0 H GLY A 80 14.742 -4.723 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.617 -6.376 -0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.464 -5.342 -1.339 1.00 0.00 H new ATOM 898 N LYS A 81 16.380 -4.145 1.543 1.00 0.00 N ATOM 899 CA LYS A 81 16.768 -3.346 2.699 1.00 0.00 C ATOM 900 C LYS A 81 16.123 -3.884 3.974 1.00 0.00 C ATOM 901 O LYS A 81 15.067 -4.515 3.929 1.00 0.00 O ATOM 902 CB LYS A 81 16.370 -1.883 2.491 1.00 0.00 C ATOM 903 CG LYS A 81 16.906 -1.287 1.199 1.00 0.00 C ATOM 904 CD LYS A 81 17.762 -0.056 1.464 1.00 0.00 C ATOM 905 CE LYS A 81 17.609 0.977 0.360 1.00 0.00 C ATOM 906 NZ LYS A 81 18.770 1.907 0.305 1.00 0.00 N ATOM 0 H LYS A 81 15.390 -4.387 1.511 1.00 0.00 H new ATOM 0 HA LYS A 81 17.851 -3.409 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.283 -1.807 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.733 -1.293 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.497 -2.035 0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.074 -1.019 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.479 0.386 2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 81 18.808 -0.350 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.504 0.470 -0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.694 1.547 0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.627 2.596 -0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 18.855 2.410 1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.640 1.366 0.126 1.00 0.00 H new ATOM 920 N THR A 82 16.766 -3.629 5.109 1.00 0.00 N ATOM 921 CA THR A 82 16.256 -4.089 6.396 1.00 0.00 C ATOM 922 C THR A 82 15.177 -3.146 6.919 1.00 0.00 C ATOM 923 O THR A 82 15.048 -2.015 6.452 1.00 0.00 O ATOM 924 CB THR A 82 17.395 -4.193 7.410 1.00 0.00 C ATOM 925 OG1 THR A 82 18.476 -4.938 6.875 1.00 0.00 O ATOM 926 CG2 THR A 82 16.983 -4.852 8.708 1.00 0.00 C ATOM 0 H THR A 82 17.640 -3.107 5.164 1.00 0.00 H new ATOM 0 HA THR A 82 15.814 -5.075 6.255 1.00 0.00 H new ATOM 0 HB THR A 82 17.689 -3.165 7.621 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.196 -4.992 7.538 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.838 -4.894 9.382 1.00 0.00 H new ATOM 0 HG22 THR A 82 16.183 -4.274 9.172 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.630 -5.863 8.507 1.00 0.00 H new ATOM 934 N LYS A 83 14.406 -3.618 7.895 1.00 0.00 N ATOM 935 CA LYS A 83 13.339 -2.817 8.482 1.00 0.00 C ATOM 936 C LYS A 83 13.886 -1.511 9.050 1.00 0.00 C ATOM 937 O LYS A 83 13.247 -0.464 8.945 1.00 0.00 O ATOM 938 CB LYS A 83 12.626 -3.607 9.580 1.00 0.00 C ATOM 939 CG LYS A 83 13.513 -3.937 10.769 1.00 0.00 C ATOM 940 CD LYS A 83 12.724 -4.596 11.887 1.00 0.00 C ATOM 941 CE LYS A 83 13.332 -4.301 13.249 1.00 0.00 C ATOM 942 NZ LYS A 83 14.728 -4.813 13.357 1.00 0.00 N ATOM 0 H LYS A 83 14.501 -4.551 8.295 1.00 0.00 H new ATOM 0 HA LYS A 83 12.624 -2.576 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.766 -3.034 9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.241 -4.535 9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.318 -4.600 10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.979 -3.025 11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.693 -4.242 11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.695 -5.674 11.726 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.325 -3.225 13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.718 -4.755 14.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.814 -5.411 14.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.958 -5.374 12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.387 -4.012 13.431 1.00 0.00 H new ATOM 956 N VAL A 84 15.069 -1.580 9.649 1.00 0.00 N ATOM 957 CA VAL A 84 15.700 -0.401 10.231 1.00 0.00 C ATOM 958 C VAL A 84 16.174 0.558 9.143 1.00 0.00 C ATOM 959 O VAL A 84 16.107 1.778 9.305 1.00 0.00 O ATOM 960 CB VAL A 84 16.898 -0.782 11.121 1.00 0.00 C ATOM 961 CG1 VAL A 84 16.435 -1.592 12.321 1.00 0.00 C ATOM 962 CG2 VAL A 84 17.938 -1.550 10.320 1.00 0.00 C ATOM 0 H VAL A 84 15.611 -2.439 9.745 1.00 0.00 H new ATOM 0 HA VAL A 84 14.946 0.090 10.846 1.00 0.00 H new ATOM 0 HB VAL A 84 17.360 0.135 11.486 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.295 -1.852 12.938 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.732 -1.002 12.909 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.946 -2.504 11.978 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.776 -1.810 10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.491 -2.461 9.922 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.293 -0.930 9.497 1.00 0.00 H new ATOM 972 N GLU A 85 16.648 0.001 8.034 1.00 0.00 N ATOM 973 CA GLU A 85 17.131 0.808 6.919 1.00 0.00 C ATOM 974 C GLU A 85 15.982 1.560 6.256 1.00 0.00 C ATOM 975 O GLU A 85 16.047 2.775 6.070 1.00 0.00 O ATOM 976 CB GLU A 85 17.836 -0.078 5.889 1.00 0.00 C ATOM 977 CG GLU A 85 19.047 -0.808 6.443 1.00 0.00 C ATOM 978 CD GLU A 85 20.325 -0.003 6.312 1.00 0.00 C ATOM 979 OE1 GLU A 85 20.265 1.235 6.461 1.00 0.00 O ATOM 980 OE2 GLU A 85 21.387 -0.611 6.059 1.00 0.00 O ATOM 0 H GLU A 85 16.708 -1.006 7.883 1.00 0.00 H new ATOM 0 HA GLU A 85 17.842 1.536 7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.126 -0.810 5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.148 0.538 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.876 -1.042 7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.165 -1.757 5.920 1.00 0.00 H new ATOM 987 N VAL A 86 14.929 0.829 5.901 1.00 0.00 N ATOM 988 CA VAL A 86 13.766 1.425 5.257 1.00 0.00 C ATOM 989 C VAL A 86 13.097 2.448 6.171 1.00 0.00 C ATOM 990 O VAL A 86 12.862 3.589 5.775 1.00 0.00 O ATOM 991 CB VAL A 86 12.732 0.354 4.861 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.614 0.971 4.035 1.00 0.00 C ATOM 993 CG2 VAL A 86 13.404 -0.779 4.100 1.00 0.00 C ATOM 0 H VAL A 86 14.859 -0.178 6.049 1.00 0.00 H new ATOM 0 HA VAL A 86 14.124 1.924 4.356 1.00 0.00 H new ATOM 0 HB VAL A 86 12.295 -0.058 5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.893 0.199 3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.115 1.745 4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.031 1.411 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.659 -1.527 3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.869 -0.385 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.166 -1.238 4.730 1.00 0.00 H new ATOM 1003 N ALA A 87 12.794 2.029 7.398 1.00 0.00 N ATOM 1004 CA ALA A 87 12.151 2.907 8.371 1.00 0.00 C ATOM 1005 C ALA A 87 12.877 4.245 8.477 1.00 0.00 C ATOM 1006 O ALA A 87 12.262 5.307 8.379 1.00 0.00 O ATOM 1007 CB ALA A 87 12.090 2.229 9.732 1.00 0.00 C ATOM 0 H ALA A 87 12.984 1.087 7.741 1.00 0.00 H new ATOM 0 HA ALA A 87 11.136 3.104 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.608 2.894 10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.517 1.305 9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.101 2.001 10.071 1.00 0.00 H new ATOM 1013 N LYS A 88 14.190 4.186 8.675 1.00 0.00 N ATOM 1014 CA LYS A 88 14.998 5.393 8.790 1.00 0.00 C ATOM 1015 C LYS A 88 14.948 6.203 7.497 1.00 0.00 C ATOM 1016 O LYS A 88 15.024 7.432 7.519 1.00 0.00 O ATOM 1017 CB LYS A 88 16.446 5.033 9.128 1.00 0.00 C ATOM 1018 CG LYS A 88 16.788 5.202 10.598 1.00 0.00 C ATOM 1019 CD LYS A 88 16.008 4.228 11.468 1.00 0.00 C ATOM 1020 CE LYS A 88 16.736 3.937 12.770 1.00 0.00 C ATOM 1021 NZ LYS A 88 17.630 2.752 12.654 1.00 0.00 N ATOM 0 H LYS A 88 14.716 3.316 8.759 1.00 0.00 H new ATOM 0 HA LYS A 88 14.588 6.002 9.595 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.632 3.999 8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.115 5.656 8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.857 5.046 10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.569 6.224 10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.023 4.641 11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.850 3.298 10.923 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.324 4.808 13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.008 3.766 13.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.343 2.780 13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.067 1.882 12.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.105 2.765 11.729 1.00 0.00 H new ATOM 1035 N MET A 89 14.818 5.505 6.374 1.00 0.00 N ATOM 1036 CA MET A 89 14.755 6.158 5.071 1.00 0.00 C ATOM 1037 C MET A 89 13.524 7.050 4.969 1.00 0.00 C ATOM 1038 O MET A 89 13.570 8.122 4.367 1.00 0.00 O ATOM 1039 CB MET A 89 14.736 5.112 3.955 1.00 0.00 C ATOM 1040 CG MET A 89 15.311 5.612 2.641 1.00 0.00 C ATOM 1041 SD MET A 89 16.081 4.299 1.676 1.00 0.00 S ATOM 1042 CE MET A 89 14.693 3.748 0.686 1.00 0.00 C ATOM 0 H MET A 89 14.754 4.488 6.339 1.00 0.00 H new ATOM 0 HA MET A 89 15.642 6.781 4.961 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.300 4.237 4.279 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.709 4.786 3.792 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.517 6.072 2.053 1.00 0.00 H new ATOM 0 HG3 MET A 89 16.048 6.389 2.844 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.020 2.959 0.009 1.00 0.00 H new ATOM 0 HE2 MET A 89 13.910 3.364 1.339 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.304 4.585 0.107 1.00 0.00 H new ATOM 1052 N ILE A 90 12.421 6.600 5.562 1.00 0.00 N ATOM 1053 CA ILE A 90 11.177 7.362 5.538 1.00 0.00 C ATOM 1054 C ILE A 90 11.263 8.578 6.452 1.00 0.00 C ATOM 1055 O ILE A 90 11.052 9.710 6.016 1.00 0.00 O ATOM 1056 CB ILE A 90 9.972 6.500 5.966 1.00 0.00 C ATOM 1057 CG1 ILE A 90 10.029 5.121 5.304 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.669 7.203 5.617 1.00 0.00 C ATOM 1059 CD1 ILE A 90 10.113 5.172 3.793 1.00 0.00 C ATOM 0 H ILE A 90 12.364 5.714 6.064 1.00 0.00 H new ATOM 0 HA ILE A 90 11.030 7.688 4.508 1.00 0.00 H new ATOM 0 HB ILE A 90 10.016 6.362 7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.893 4.579 5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.143 4.554 5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.827 6.583 5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.622 8.161 6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.622 7.370 4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.150 4.157 3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.237 5.685 3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 90 11.013 5.710 3.497 1.00 0.00 H new ATOM 1071 N GLN A 91 11.573 8.336 7.722 1.00 0.00 N ATOM 1072 CA GLN A 91 11.687 9.414 8.700 1.00 0.00 C ATOM 1073 C GLN A 91 12.665 10.486 8.231 1.00 0.00 C ATOM 1074 O GLN A 91 12.542 11.655 8.600 1.00 0.00 O ATOM 1075 CB GLN A 91 12.135 8.853 10.053 1.00 0.00 C ATOM 1076 CG GLN A 91 11.053 8.066 10.774 1.00 0.00 C ATOM 1077 CD GLN A 91 11.620 7.009 11.701 1.00 0.00 C ATOM 1078 OE1 GLN A 91 12.835 6.901 11.867 1.00 0.00 O ATOM 1079 NE2 GLN A 91 10.740 6.223 12.311 1.00 0.00 N ATOM 0 H GLN A 91 11.750 7.405 8.098 1.00 0.00 H new ATOM 0 HA GLN A 91 10.705 9.875 8.808 1.00 0.00 H new ATOM 0 HB2 GLN A 91 13.001 8.209 9.901 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.458 9.677 10.689 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.432 8.753 11.349 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.405 7.589 10.039 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.742 6.349 12.143 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.062 5.494 12.947 1.00 0.00 H new ATOM 1088 N GLU A 92 13.637 10.084 7.417 1.00 0.00 N ATOM 1089 CA GLU A 92 14.633 11.015 6.900 1.00 0.00 C ATOM 1090 C GLU A 92 14.044 11.884 5.794 1.00 0.00 C ATOM 1091 O GLU A 92 14.097 13.112 5.860 1.00 0.00 O ATOM 1092 CB GLU A 92 15.849 10.252 6.372 1.00 0.00 C ATOM 1093 CG GLU A 92 16.687 9.612 7.466 1.00 0.00 C ATOM 1094 CD GLU A 92 17.724 10.559 8.038 1.00 0.00 C ATOM 1095 OE1 GLU A 92 17.358 11.399 8.886 1.00 0.00 O ATOM 1096 OE2 GLU A 92 18.902 10.460 7.636 1.00 0.00 O ATOM 0 H GLU A 92 13.755 9.121 7.102 1.00 0.00 H new ATOM 0 HA GLU A 92 14.947 11.663 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.511 9.477 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.475 10.935 5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.032 9.270 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 92 17.188 8.730 7.066 1.00 0.00 H new ATOM 1103 N VAL A 93 13.487 11.239 4.774 1.00 0.00 N ATOM 1104 CA VAL A 93 12.889 11.952 3.652 1.00 0.00 C ATOM 1105 C VAL A 93 11.730 12.832 4.112 1.00 0.00 C ATOM 1106 O VAL A 93 10.949 12.443 4.979 1.00 0.00 O ATOM 1107 CB VAL A 93 12.385 10.974 2.571 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.295 10.071 3.130 1.00 0.00 C ATOM 1109 CG2 VAL A 93 11.888 11.733 1.348 1.00 0.00 C ATOM 0 H VAL A 93 13.438 10.223 4.702 1.00 0.00 H new ATOM 0 HA VAL A 93 13.669 12.583 3.225 1.00 0.00 H new ATOM 0 HB VAL A 93 13.220 10.345 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.953 9.389 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.692 9.497 3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.458 10.680 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.537 11.024 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.069 12.391 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.702 12.327 0.933 1.00 0.00 H new ATOM 1119 N LYS A 94 11.626 14.018 3.523 1.00 0.00 N ATOM 1120 CA LYS A 94 10.563 14.954 3.870 1.00 0.00 C ATOM 1121 C LYS A 94 9.759 15.345 2.634 1.00 0.00 C ATOM 1122 O LYS A 94 9.977 14.812 1.546 1.00 0.00 O ATOM 1123 CB LYS A 94 11.149 16.203 4.530 1.00 0.00 C ATOM 1124 CG LYS A 94 12.145 15.896 5.635 1.00 0.00 C ATOM 1125 CD LYS A 94 12.201 17.016 6.662 1.00 0.00 C ATOM 1126 CE LYS A 94 13.623 17.268 7.136 1.00 0.00 C ATOM 1127 NZ LYS A 94 13.699 18.423 8.073 1.00 0.00 N ATOM 0 H LYS A 94 12.265 14.354 2.803 1.00 0.00 H new ATOM 0 HA LYS A 94 9.894 14.461 4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.639 16.810 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.336 16.802 4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.868 14.963 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.135 15.747 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.794 17.929 6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.572 16.761 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.005 16.374 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.265 17.456 6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.685 18.562 8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.358 19.281 7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.107 18.233 8.907 1.00 0.00 H new ATOM 1141 N GLY A 95 8.832 16.280 2.808 1.00 0.00 N ATOM 1142 CA GLY A 95 8.011 16.725 1.697 1.00 0.00 C ATOM 1143 C GLY A 95 7.066 15.647 1.206 1.00 0.00 C ATOM 1144 O GLY A 95 6.899 14.615 1.857 1.00 0.00 O ATOM 0 H GLY A 95 8.634 16.738 3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.434 17.598 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.656 17.040 0.876 1.00 0.00 H new ATOM 1148 N GLU A 96 6.446 15.886 0.054 1.00 0.00 N ATOM 1149 CA GLU A 96 5.511 14.927 -0.524 1.00 0.00 C ATOM 1150 C GLU A 96 6.220 13.627 -0.889 1.00 0.00 C ATOM 1151 O GLU A 96 6.836 13.521 -1.951 1.00 0.00 O ATOM 1152 CB GLU A 96 4.840 15.520 -1.763 1.00 0.00 C ATOM 1153 CG GLU A 96 5.817 16.165 -2.733 1.00 0.00 C ATOM 1154 CD GLU A 96 5.800 17.680 -2.658 1.00 0.00 C ATOM 1155 OE1 GLU A 96 6.350 18.233 -1.683 1.00 0.00 O ATOM 1156 OE2 GLU A 96 5.235 18.313 -3.575 1.00 0.00 O ATOM 0 H GLU A 96 6.574 16.735 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 96 4.749 14.706 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.292 14.733 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.108 16.264 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.824 15.806 -2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.574 15.853 -3.749 1.00 0.00 H new ATOM 1163 N VAL A 97 6.129 12.639 -0.005 1.00 0.00 N ATOM 1164 CA VAL A 97 6.760 11.346 -0.237 1.00 0.00 C ATOM 1165 C VAL A 97 5.940 10.502 -1.206 1.00 0.00 C ATOM 1166 O VAL A 97 4.739 10.719 -1.369 1.00 0.00 O ATOM 1167 CB VAL A 97 6.943 10.567 1.080 1.00 0.00 C ATOM 1168 CG1 VAL A 97 7.726 9.284 0.841 1.00 0.00 C ATOM 1169 CG2 VAL A 97 7.633 11.434 2.123 1.00 0.00 C ATOM 0 H VAL A 97 5.624 12.710 0.879 1.00 0.00 H new ATOM 0 HA VAL A 97 7.740 11.544 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 97 5.957 10.297 1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.844 8.749 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.187 8.656 0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.708 9.527 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.753 10.867 3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.612 11.738 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.028 12.320 2.318 1.00 0.00 H new ATOM 1179 N THR A 98 6.595 9.541 -1.847 1.00 0.00 N ATOM 1180 CA THR A 98 5.925 8.665 -2.802 1.00 0.00 C ATOM 1181 C THR A 98 6.329 7.209 -2.585 1.00 0.00 C ATOM 1182 O THR A 98 7.435 6.803 -2.942 1.00 0.00 O ATOM 1183 CB THR A 98 6.253 9.090 -4.234 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.574 10.469 -4.286 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.121 8.845 -5.206 1.00 0.00 C ATOM 0 H THR A 98 7.589 9.348 -1.723 1.00 0.00 H new ATOM 0 HA THR A 98 4.850 8.751 -2.642 1.00 0.00 H new ATOM 0 HB THR A 98 7.103 8.475 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.783 10.722 -5.210 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.421 9.169 -6.203 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.883 7.782 -5.226 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.242 9.408 -4.891 1.00 0.00 H new ATOM 1193 N ILE A 99 5.427 6.430 -2.000 1.00 0.00 N ATOM 1194 CA ILE A 99 5.689 5.020 -1.738 1.00 0.00 C ATOM 1195 C ILE A 99 5.119 4.142 -2.847 1.00 0.00 C ATOM 1196 O ILE A 99 3.920 4.172 -3.122 1.00 0.00 O ATOM 1197 CB ILE A 99 5.094 4.579 -0.383 1.00 0.00 C ATOM 1198 CG1 ILE A 99 5.609 5.480 0.742 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.433 3.122 -0.096 1.00 0.00 C ATOM 1200 CD1 ILE A 99 4.882 6.803 0.840 1.00 0.00 C ATOM 0 H ILE A 99 4.507 6.751 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 99 6.772 4.898 -1.704 1.00 0.00 H new ATOM 0 HB ILE A 99 4.009 4.674 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.515 4.952 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.671 5.669 0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.005 2.831 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.022 2.491 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.516 3.000 -0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.300 7.388 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.998 7.352 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.823 6.623 1.027 1.00 0.00 H new ATOM 1212 N HIS A 100 5.990 3.362 -3.481 1.00 0.00 N ATOM 1213 CA HIS A 100 5.574 2.474 -4.560 1.00 0.00 C ATOM 1214 C HIS A 100 5.136 1.118 -4.014 1.00 0.00 C ATOM 1215 O HIS A 100 5.968 0.268 -3.695 1.00 0.00 O ATOM 1216 CB HIS A 100 6.716 2.287 -5.562 1.00 0.00 C ATOM 1217 CG HIS A 100 7.313 3.574 -6.038 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.076 4.097 -7.293 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.140 4.449 -5.419 1.00 0.00 C ATOM 1220 CE1 HIS A 100 7.735 5.235 -7.424 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.386 5.471 -6.302 1.00 0.00 N ATOM 0 H HIS A 100 6.986 3.327 -3.266 1.00 0.00 H new ATOM 0 HA HIS A 100 4.724 2.933 -5.066 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.497 1.683 -5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.346 1.728 -6.422 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.485 3.672 -8.007 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.533 4.360 -4.417 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.740 5.865 -8.301 1.00 0.00 H new ATOM 1230 N TYR A 101 3.826 0.925 -3.907 1.00 0.00 N ATOM 1231 CA TYR A 101 3.278 -0.327 -3.399 1.00 0.00 C ATOM 1232 C TYR A 101 2.636 -1.137 -4.521 1.00 0.00 C ATOM 1233 O TYR A 101 2.301 -0.597 -5.575 1.00 0.00 O ATOM 1234 CB TYR A 101 2.249 -0.049 -2.300 1.00 0.00 C ATOM 1235 CG TYR A 101 1.018 0.680 -2.792 1.00 0.00 C ATOM 1236 CD1 TYR A 101 -0.042 -0.016 -3.361 1.00 0.00 C ATOM 1237 CD2 TYR A 101 0.916 2.060 -2.687 1.00 0.00 C ATOM 1238 CE1 TYR A 101 -1.169 0.646 -3.812 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -0.208 2.729 -3.135 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.247 2.017 -3.697 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.366 2.679 -4.145 1.00 0.00 O ATOM 0 H TYR A 101 3.124 1.619 -4.165 1.00 0.00 H new ATOM 0 HA TYR A 101 4.098 -0.910 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.946 -0.995 -1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.720 0.541 -1.514 1.00 0.00 H new ATOM 0 HD1 TYR A 101 0.016 -1.091 -3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.728 2.621 -2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.984 0.091 -4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.272 3.803 -3.045 1.00 0.00 H new ATOM 0 HH TYR A 101 -3.147 2.389 -3.629 1.00 0.00 H new ATOM 1251 N ASN A 102 2.468 -2.434 -4.287 1.00 0.00 N ATOM 1252 CA ASN A 102 1.866 -3.318 -5.279 1.00 0.00 C ATOM 1253 C ASN A 102 0.620 -3.996 -4.718 1.00 0.00 C ATOM 1254 O ASN A 102 0.689 -4.720 -3.723 1.00 0.00 O ATOM 1255 CB ASN A 102 2.878 -4.373 -5.733 1.00 0.00 C ATOM 1256 CG ASN A 102 3.533 -4.013 -7.052 1.00 0.00 C ATOM 1257 OD1 ASN A 102 3.040 -4.372 -8.121 1.00 0.00 O ATOM 1258 ND2 ASN A 102 4.653 -3.302 -6.981 1.00 0.00 N ATOM 0 H ASN A 102 2.740 -2.897 -3.420 1.00 0.00 H new ATOM 0 HA ASN A 102 1.572 -2.715 -6.138 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.646 -4.489 -4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.377 -5.336 -5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.141 -3.032 -7.835 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.025 -3.026 -6.072 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.517 -3.755 -5.360 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.781 -4.342 -4.925 1.00 0.00 C ATOM 1267 C LYS A 103 -1.896 -5.791 -5.387 1.00 0.00 C ATOM 1268 O LYS A 103 -1.913 -6.071 -6.585 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.957 -3.524 -5.463 1.00 0.00 C ATOM 1270 CG LYS A 103 -3.604 -2.626 -4.422 1.00 0.00 C ATOM 1271 CD LYS A 103 -4.928 -2.066 -4.914 1.00 0.00 C ATOM 1272 CE LYS A 103 -4.786 -0.624 -5.378 1.00 0.00 C ATOM 1273 NZ LYS A 103 -4.986 0.341 -4.262 1.00 0.00 N ATOM 0 H LYS A 103 -0.591 -3.158 -6.183 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.806 -4.327 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.611 -2.910 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.710 -4.205 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.765 -3.190 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.929 -1.806 -4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.301 -2.678 -5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.667 -2.121 -4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.797 -0.478 -5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.512 -0.423 -6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.881 1.312 -4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.939 0.220 -3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.277 0.167 -3.521 1.00 0.00 H new ATOM 1287 N LEU A 104 -1.974 -6.708 -4.427 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.089 -8.129 -4.736 1.00 0.00 C ATOM 1289 C LEU A 104 -3.507 -8.641 -4.486 1.00 0.00 C ATOM 1290 O LEU A 104 -3.763 -9.842 -4.568 1.00 0.00 O ATOM 1291 CB LEU A 104 -1.091 -8.935 -3.901 1.00 0.00 C ATOM 1292 CG LEU A 104 0.294 -8.299 -3.754 1.00 0.00 C ATOM 1293 CD1 LEU A 104 0.376 -7.491 -2.468 1.00 0.00 C ATOM 1294 CD2 LEU A 104 1.376 -9.368 -3.784 1.00 0.00 C ATOM 0 H LEU A 104 -1.960 -6.493 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.863 -8.258 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.512 -9.087 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.975 -9.920 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 104 0.455 -7.623 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.367 -7.046 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.375 -6.702 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.195 -8.145 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.354 -8.899 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.219 -10.068 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.331 -9.904 -4.732 1.00 0.00 H new ATOM 1307 N GLU B 121 7.535 -7.816 15.192 1.00 0.00 N ATOM 1308 CA GLU B 121 8.027 -6.493 15.551 1.00 0.00 C ATOM 1309 C GLU B 121 8.083 -5.585 14.326 1.00 0.00 C ATOM 1310 O GLU B 121 9.117 -5.477 13.666 1.00 0.00 O ATOM 1311 CB GLU B 121 9.412 -6.597 16.193 1.00 0.00 C ATOM 1312 CG GLU B 121 9.499 -5.945 17.563 1.00 0.00 C ATOM 1313 CD GLU B 121 10.344 -6.744 18.535 1.00 0.00 C ATOM 1314 OE1 GLU B 121 11.268 -7.450 18.078 1.00 0.00 O ATOM 1315 OE2 GLU B 121 10.083 -6.664 19.755 1.00 0.00 O ATOM 0 HA GLU B 121 7.336 -6.057 16.272 1.00 0.00 H new ATOM 0 HB2 GLU B 121 9.683 -7.649 16.283 1.00 0.00 H new ATOM 0 HB3 GLU B 121 10.145 -6.134 15.532 1.00 0.00 H new ATOM 0 HG2 GLU B 121 9.919 -4.944 17.459 1.00 0.00 H new ATOM 0 HG3 GLU B 121 8.495 -5.829 17.971 1.00 0.00 H new ATOM 1322 N SER B 122 6.962 -4.936 14.023 1.00 0.00 N ATOM 1323 CA SER B 122 6.883 -4.041 12.876 1.00 0.00 C ATOM 1324 C SER B 122 7.281 -2.620 13.265 1.00 0.00 C ATOM 1325 O SER B 122 6.877 -2.117 14.312 1.00 0.00 O ATOM 1326 CB SER B 122 5.467 -4.046 12.295 1.00 0.00 C ATOM 1327 OG SER B 122 4.498 -3.878 13.314 1.00 0.00 O ATOM 0 H SER B 122 6.096 -5.014 14.557 1.00 0.00 H new ATOM 0 HA SER B 122 7.580 -4.399 12.119 1.00 0.00 H new ATOM 0 HB2 SER B 122 5.369 -3.247 11.560 1.00 0.00 H new ATOM 0 HB3 SER B 122 5.289 -4.985 11.771 1.00 0.00 H new ATOM 0 HG SER B 122 3.670 -4.335 13.057 1.00 0.00 H new ATOM 1333 N VAL B 123 8.074 -1.978 12.413 1.00 0.00 N ATOM 1334 CA VAL B 123 8.525 -0.616 12.667 1.00 0.00 C ATOM 1335 C VAL B 123 7.521 0.402 12.138 1.00 0.00 C ATOM 1336 O VAL B 123 7.333 0.533 10.928 1.00 0.00 O ATOM 1337 CB VAL B 123 9.897 -0.348 12.022 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.444 1.000 12.467 1.00 0.00 C ATOM 1339 CG2 VAL B 123 10.873 -1.464 12.362 1.00 0.00 C ATOM 0 H VAL B 123 8.417 -2.380 11.541 1.00 0.00 H new ATOM 0 HA VAL B 123 8.613 -0.509 13.748 1.00 0.00 H new ATOM 0 HB VAL B 123 9.770 -0.323 10.940 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.414 1.171 12.000 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.754 1.789 12.169 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.557 1.007 13.551 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.837 -1.258 11.898 1.00 0.00 H new ATOM 0 HG22 VAL B 123 10.996 -1.523 13.443 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.486 -2.412 11.989 1.00 0.00 H new ATOM 1349 N LYS B 124 6.879 1.124 13.051 1.00 0.00 N ATOM 1350 CA LYS B 124 5.894 2.132 12.676 1.00 0.00 C ATOM 1351 C LYS B 124 6.569 3.463 12.368 1.00 0.00 C ATOM 1352 O LYS B 124 7.241 4.042 13.223 1.00 0.00 O ATOM 1353 CB LYS B 124 4.867 2.313 13.795 1.00 0.00 C ATOM 1354 CG LYS B 124 3.451 2.547 13.292 1.00 0.00 C ATOM 1355 CD LYS B 124 3.315 3.906 12.624 1.00 0.00 C ATOM 1356 CE LYS B 124 3.283 5.032 13.646 1.00 0.00 C ATOM 1357 NZ LYS B 124 4.506 5.879 13.576 1.00 0.00 N ATOM 0 H LYS B 124 7.023 1.030 14.056 1.00 0.00 H new ATOM 0 HA LYS B 124 5.383 1.788 11.777 1.00 0.00 H new ATOM 0 HB2 LYS B 124 4.876 1.428 14.431 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.166 3.156 14.418 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.181 1.764 12.584 1.00 0.00 H new ATOM 0 HG3 LYS B 124 2.752 2.478 14.125 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.148 4.060 11.938 1.00 0.00 H new ATOM 0 HD3 LYS B 124 2.403 3.929 12.028 1.00 0.00 H new ATOM 0 HE2 LYS B 124 2.402 5.651 13.477 1.00 0.00 H new ATOM 0 HE3 LYS B 124 3.189 4.611 14.647 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 4.301 6.818 13.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 5.270 5.431 14.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 4.802 5.981 12.584 1.00 0.00 H new ATOM 1371 N ILE B 125 6.388 3.945 11.143 1.00 0.00 N ATOM 1372 CA ILE B 125 6.981 5.208 10.722 1.00 0.00 C ATOM 1373 C ILE B 125 5.952 6.095 10.028 1.00 0.00 C ATOM 1374 O ILE B 125 6.365 7.033 9.317 1.00 0.00 O ATOM 1375 CB ILE B 125 8.175 4.981 9.775 1.00 0.00 C ATOM 1376 CG1 ILE B 125 7.721 4.253 8.508 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.268 4.192 10.481 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.154 5.177 7.454 1.00 0.00 C ATOM 1379 OXT ILE B 125 4.741 5.843 10.204 1.00 0.00 O ATOM 0 H ILE B 125 5.835 3.479 10.424 1.00 0.00 H new ATOM 0 HA ILE B 125 7.335 5.708 11.624 1.00 0.00 H new ATOM 0 HB ILE B 125 8.580 5.951 9.488 1.00 0.00 H new ATOM 0 HG12 ILE B 125 8.567 3.710 8.087 1.00 0.00 H new ATOM 0 HG13 ILE B 125 6.967 3.512 8.774 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.105 4.040 9.799 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.609 4.745 11.356 1.00 0.00 H new ATOM 0 HG23 ILE B 125 8.874 3.225 10.794 1.00 0.00 H new ATOM 0 HD11 ILE B 125 6.852 4.594 6.584 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.288 5.701 7.858 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.913 5.902 7.160 1.00 0.00 H new