USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= -0.0309 X(o=-0.031,f=-0.059) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.432 USER MOD Set 2.2: C 21 THR OG1 : rot -76:sc= 0.46 USER MOD Set 3.1: A 29 GLN : amide:sc= -0.196 K(o=-0.27,f=-5.6!) USER MOD Set 3.2: C 7 LYS NZ :NH3+ -130:sc= -0.073 (180deg=-1.42!) USER MOD Set 4.1: A 13 ASN : amide:sc= 0.936 K(o=0.94,f=-3.6) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 11 SER OG : rot 180:sc= 0.453 USER MOD Set 5.2: A 21 THR OG1 : rot -72:sc= 0.492 USER MOD Single : A 1 MET CE :methyl -126:sc= -0.017 (180deg=-0.226) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0521 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -160:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.179 F(o=-0.78,f=-0.18) USER MOD Single : A 35 ASN : amide:sc= -0.0474 K(o=-0.047,f=-1.6) USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= -0.022 (180deg=-0.24) USER MOD Single : A 43 HIS : no HE2:sc= -2.07 K(o=-2.1,f=-4.2!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -123:sc= -0.0312 (180deg=-0.364) USER MOD Single : C 1 MET N :NH3+ -107:sc= 0.0504 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 150:sc= 0.0737 USER MOD Single : C 26 SER OG : rot 26:sc= 0.652 USER MOD Single : C 28 GLN :FLIP amide:sc= -0.151 F(o=-0.9,f=-0.15) USER MOD Single : C 29 GLN : amide:sc= -0.43 K(o=-0.43,f=-4.8!) USER MOD Single : C 35 ASN : amide:sc= -0.0331 K(o=-0.033,f=-1.4) USER MOD Single : C 38 LYS NZ :NH3+ 158:sc= -0.0778 (180deg=-0.515) USER MOD Single : C 43 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-3.9!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.083 -5.304 -11.554 1.00 0.00 N ATOM 2 CA MET A 1 -5.942 -4.421 -10.384 1.00 0.00 C ATOM 3 C MET A 1 -7.042 -4.700 -9.370 1.00 0.00 C ATOM 4 O MET A 1 -8.149 -5.073 -9.749 1.00 0.00 O ATOM 5 CB MET A 1 -6.020 -2.954 -10.808 1.00 0.00 C ATOM 6 CG MET A 1 -5.581 -1.989 -9.705 1.00 0.00 C ATOM 7 SD MET A 1 -3.796 -1.741 -9.608 1.00 0.00 S ATOM 8 CE MET A 1 -3.685 -0.610 -11.017 1.00 0.00 C ATOM 0 H1 MET A 1 -6.028 -4.738 -12.425 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.319 -6.010 -11.550 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.002 -5.789 -11.514 1.00 0.00 H new ATOM 0 HA MET A 1 -4.970 -4.618 -9.931 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.394 -2.802 -11.687 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.043 -2.720 -11.102 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.062 -1.025 -9.868 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.937 -2.365 -8.746 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.949 -0.985 -11.728 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.657 -0.540 -11.505 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.382 0.377 -10.668 1.00 0.00 H new ATOM 20 N LEU A 2 -6.737 -4.514 -8.084 1.00 0.00 N ATOM 21 CA LEU A 2 -7.701 -4.648 -7.009 1.00 0.00 C ATOM 22 C LEU A 2 -7.568 -3.405 -6.132 1.00 0.00 C ATOM 23 O LEU A 2 -6.504 -3.153 -5.571 1.00 0.00 O ATOM 24 CB LEU A 2 -7.427 -5.965 -6.274 1.00 0.00 C ATOM 25 CG LEU A 2 -8.385 -6.298 -5.129 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.963 -5.595 -3.842 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.831 -5.941 -5.462 1.00 0.00 C ATOM 0 H LEU A 2 -5.801 -4.264 -7.765 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.733 -4.700 -7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.460 -6.778 -6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.412 -5.934 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.332 -7.377 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.660 -5.848 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.960 -5.917 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.967 -4.516 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.472 -6.196 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.905 -4.872 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.150 -6.499 -6.342 1.00 0.00 H new ATOM 39 N ILE A 3 -8.651 -2.631 -6.022 1.00 0.00 N ATOM 40 CA ILE A 3 -8.635 -1.326 -5.375 1.00 0.00 C ATOM 41 C ILE A 3 -9.354 -1.394 -4.037 1.00 0.00 C ATOM 42 O ILE A 3 -10.341 -2.108 -3.892 1.00 0.00 O ATOM 43 CB ILE A 3 -9.284 -0.270 -6.286 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.421 0.000 -7.521 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.431 1.063 -5.555 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.650 -1.004 -8.642 1.00 0.00 C ATOM 0 H ILE A 3 -9.567 -2.898 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.600 -1.036 -5.196 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.257 -0.667 -6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.632 1.003 -7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.370 -0.019 -7.233 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.892 1.794 -6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.058 0.927 -4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.448 1.421 -5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.009 -0.757 -9.488 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.412 -2.007 -8.287 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.693 -0.968 -8.955 1.00 0.00 H new ATOM 58 N LEU A 4 -8.830 -0.636 -3.070 1.00 0.00 N ATOM 59 CA LEU A 4 -9.335 -0.571 -1.709 1.00 0.00 C ATOM 60 C LEU A 4 -9.241 0.868 -1.208 1.00 0.00 C ATOM 61 O LEU A 4 -8.449 1.656 -1.726 1.00 0.00 O ATOM 62 CB LEU A 4 -8.526 -1.518 -0.817 1.00 0.00 C ATOM 63 CG LEU A 4 -8.620 -2.975 -1.286 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.722 -3.864 -0.430 1.00 0.00 C ATOM 65 CD2 LEU A 4 -10.039 -3.522 -1.156 1.00 0.00 C ATOM 0 H LEU A 4 -8.020 -0.036 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.379 -0.883 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.482 -1.206 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.886 -1.444 0.209 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.312 -2.985 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.798 -4.896 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.689 -3.528 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.037 -3.804 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.063 -4.557 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.352 -3.478 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.717 -2.923 -1.764 1.00 0.00 H new ATOM 77 N THR A 5 -10.048 1.209 -0.198 1.00 0.00 N ATOM 78 CA THR A 5 -10.090 2.557 0.347 1.00 0.00 C ATOM 79 C THR A 5 -9.848 2.513 1.847 1.00 0.00 C ATOM 80 O THR A 5 -10.343 1.624 2.539 1.00 0.00 O ATOM 81 CB THR A 5 -11.444 3.199 0.039 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.717 3.117 -1.341 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.459 4.673 0.443 1.00 0.00 C ATOM 0 H THR A 5 -10.685 0.557 0.259 1.00 0.00 H new ATOM 0 HA THR A 5 -9.307 3.159 -0.114 1.00 0.00 H new ATOM 0 HB THR A 5 -12.200 2.659 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.586 3.529 -1.528 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.433 5.104 0.213 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.268 4.759 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.686 5.209 -0.108 1.00 0.00 H new ATOM 91 N ARG A 6 -9.080 3.487 2.339 1.00 0.00 N ATOM 92 CA ARG A 6 -8.673 3.582 3.735 1.00 0.00 C ATOM 93 C ARG A 6 -8.678 5.034 4.181 1.00 0.00 C ATOM 94 O ARG A 6 -8.993 5.936 3.407 1.00 0.00 O ATOM 95 CB ARG A 6 -7.258 3.009 3.874 1.00 0.00 C ATOM 96 CG ARG A 6 -7.135 1.519 3.546 1.00 0.00 C ATOM 97 CD ARG A 6 -7.584 0.620 4.697 1.00 0.00 C ATOM 98 NE ARG A 6 -9.030 0.655 4.927 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.661 -0.096 5.832 1.00 0.00 C ATOM 100 NH1 ARG A 6 -8.994 -0.995 6.553 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.967 0.047 6.019 1.00 0.00 N ATOM 0 H ARG A 6 -8.718 4.246 1.762 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.369 3.020 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.589 3.567 3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.914 3.172 4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.733 1.296 2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.099 1.291 3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.281 -0.406 4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.070 0.924 5.609 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.589 1.293 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.990 -1.115 6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.487 -1.563 7.242 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.489 0.731 5.471 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.449 -0.527 6.711 1.00 0.00 H new ATOM 115 N LYS A 7 -8.314 5.239 5.444 1.00 0.00 N ATOM 116 CA LYS A 7 -8.170 6.549 6.041 1.00 0.00 C ATOM 117 C LYS A 7 -6.896 6.554 6.859 1.00 0.00 C ATOM 118 O LYS A 7 -6.387 5.488 7.194 1.00 0.00 O ATOM 119 CB LYS A 7 -9.374 6.850 6.928 1.00 0.00 C ATOM 120 CG LYS A 7 -10.682 6.823 6.140 1.00 0.00 C ATOM 121 CD LYS A 7 -11.796 7.409 7.002 1.00 0.00 C ATOM 122 CE LYS A 7 -11.720 8.937 7.027 1.00 0.00 C ATOM 123 NZ LYS A 7 -12.836 9.509 7.803 1.00 0.00 N ATOM 0 H LYS A 7 -8.108 4.477 6.089 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.118 7.317 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.422 6.120 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.249 7.829 7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.578 7.397 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.927 5.800 5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.765 7.095 6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.718 7.020 8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.771 9.250 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.746 9.323 6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.762 10.546 7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.739 9.227 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.795 9.157 8.781 1.00 0.00 H new ATOM 137 N VAL A 8 -6.371 7.736 7.180 1.00 0.00 N ATOM 138 CA VAL A 8 -5.072 7.780 7.836 1.00 0.00 C ATOM 139 C VAL A 8 -5.122 7.066 9.186 1.00 0.00 C ATOM 140 O VAL A 8 -5.834 7.473 10.101 1.00 0.00 O ATOM 141 CB VAL A 8 -4.497 9.194 7.923 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.350 9.729 6.498 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.325 10.188 8.726 1.00 0.00 C ATOM 0 H VAL A 8 -6.807 8.641 7.004 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.369 7.232 7.208 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.549 9.104 8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.941 10.739 6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.678 9.082 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.326 9.748 6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.829 11.159 8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.313 10.285 8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.426 9.833 9.752 1.00 0.00 H new ATOM 153 N GLY A 9 -4.341 5.984 9.283 1.00 0.00 N ATOM 154 CA GLY A 9 -4.257 5.150 10.475 1.00 0.00 C ATOM 155 C GLY A 9 -4.778 3.733 10.230 1.00 0.00 C ATOM 156 O GLY A 9 -4.539 2.848 11.052 1.00 0.00 O ATOM 0 H GLY A 9 -3.743 5.663 8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.221 5.101 10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.830 5.611 11.280 1.00 0.00 H new ATOM 160 N GLU A 10 -5.489 3.502 9.117 1.00 0.00 N ATOM 161 CA GLU A 10 -6.051 2.192 8.789 1.00 0.00 C ATOM 162 C GLU A 10 -5.029 1.316 8.055 1.00 0.00 C ATOM 163 O GLU A 10 -3.924 1.766 7.754 1.00 0.00 O ATOM 164 CB GLU A 10 -7.322 2.369 7.956 1.00 0.00 C ATOM 165 CG GLU A 10 -8.373 3.161 8.738 1.00 0.00 C ATOM 166 CD GLU A 10 -9.729 3.132 8.036 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.734 3.132 6.784 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.752 3.120 8.760 1.00 0.00 O ATOM 0 H GLU A 10 -5.688 4.221 8.421 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.307 1.681 9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.085 2.888 7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.723 1.393 7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.472 2.746 9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.042 4.193 8.852 1.00 0.00 H new ATOM 175 N SER A 11 -5.394 0.062 7.762 1.00 0.00 N ATOM 176 CA SER A 11 -4.446 -0.912 7.224 1.00 0.00 C ATOM 177 C SER A 11 -5.060 -1.827 6.163 1.00 0.00 C ATOM 178 O SER A 11 -6.278 -1.870 5.989 1.00 0.00 O ATOM 179 CB SER A 11 -3.910 -1.770 8.371 1.00 0.00 C ATOM 180 OG SER A 11 -3.238 -0.975 9.325 1.00 0.00 O ATOM 0 H SER A 11 -6.340 -0.299 7.890 1.00 0.00 H new ATOM 0 HA SER A 11 -3.648 -0.350 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.734 -2.300 8.849 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.230 -2.526 7.978 1.00 0.00 H new ATOM 0 HG SER A 11 -2.905 -1.545 10.050 1.00 0.00 H new ATOM 186 N ILE A 12 -4.184 -2.557 5.463 1.00 0.00 N ATOM 187 CA ILE A 12 -4.495 -3.475 4.372 1.00 0.00 C ATOM 188 C ILE A 12 -3.592 -4.699 4.528 1.00 0.00 C ATOM 189 O ILE A 12 -2.572 -4.619 5.215 1.00 0.00 O ATOM 190 CB ILE A 12 -4.222 -2.770 3.026 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.120 -1.549 2.799 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.367 -3.725 1.837 1.00 0.00 C ATOM 193 CD1 ILE A 12 -6.590 -1.921 2.622 1.00 0.00 C ATOM 0 H ILE A 12 -3.183 -2.517 5.657 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.541 -3.779 4.396 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.189 -2.429 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.021 -0.869 3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.777 -1.011 1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.166 -3.186 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.657 -4.546 1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.381 -4.124 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.178 -1.017 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.698 -2.578 1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.946 -2.434 3.516 1.00 0.00 H new ATOM 205 N ASN A 13 -3.941 -5.829 3.909 1.00 0.00 N ATOM 206 CA ASN A 13 -3.164 -7.057 4.054 1.00 0.00 C ATOM 207 C ASN A 13 -2.858 -7.679 2.698 1.00 0.00 C ATOM 208 O ASN A 13 -3.614 -7.519 1.738 1.00 0.00 O ATOM 209 CB ASN A 13 -3.947 -8.043 4.922 1.00 0.00 C ATOM 210 CG ASN A 13 -4.319 -7.445 6.269 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.419 -6.931 6.433 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.410 -7.499 7.236 1.00 0.00 N ATOM 0 H ASN A 13 -4.757 -5.917 3.303 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.213 -6.818 4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.853 -8.347 4.398 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.351 -8.942 5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.617 -7.104 8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.505 -7.935 7.061 1.00 0.00 H new ATOM 219 N ILE A 14 -1.730 -8.395 2.630 1.00 0.00 N ATOM 220 CA ILE A 14 -1.261 -9.062 1.419 1.00 0.00 C ATOM 221 C ILE A 14 -0.642 -10.402 1.807 1.00 0.00 C ATOM 222 O ILE A 14 0.140 -10.481 2.755 1.00 0.00 O ATOM 223 CB ILE A 14 -0.222 -8.185 0.705 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.821 -6.819 0.339 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.299 -8.902 -0.544 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.199 -5.900 -0.336 1.00 0.00 C ATOM 0 H ILE A 14 -1.111 -8.527 3.430 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.097 -9.227 0.739 1.00 0.00 H new ATOM 0 HB ILE A 14 0.614 -8.013 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.672 -6.964 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.200 -6.338 1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.035 -8.273 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.764 -9.845 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.531 -9.099 -1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.272 -4.947 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.038 -5.730 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.559 -6.367 -1.253 1.00 0.00 H new ATOM 238 N GLY A 15 -0.995 -11.459 1.071 1.00 0.00 N ATOM 239 CA GLY A 15 -0.500 -12.798 1.350 1.00 0.00 C ATOM 240 C GLY A 15 -0.798 -13.194 2.792 1.00 0.00 C ATOM 241 O GLY A 15 -1.843 -12.842 3.340 1.00 0.00 O ATOM 0 H GLY A 15 -1.627 -11.406 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.963 -13.512 0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.575 -12.838 1.171 1.00 0.00 H new ATOM 245 N ASP A 16 0.132 -13.932 3.396 1.00 0.00 N ATOM 246 CA ASP A 16 0.048 -14.362 4.785 1.00 0.00 C ATOM 247 C ASP A 16 1.294 -13.912 5.549 1.00 0.00 C ATOM 248 O ASP A 16 1.562 -14.402 6.644 1.00 0.00 O ATOM 249 CB ASP A 16 -0.131 -15.882 4.844 1.00 0.00 C ATOM 250 CG ASP A 16 -1.416 -16.320 4.153 1.00 0.00 C ATOM 251 OD1 ASP A 16 -2.473 -16.278 4.821 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.337 -16.696 2.959 1.00 0.00 O ATOM 0 H ASP A 16 0.978 -14.252 2.924 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.817 -13.901 5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.722 -16.368 4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.147 -16.207 5.884 1.00 0.00 H new ATOM 257 N ASP A 17 2.060 -12.978 4.967 1.00 0.00 N ATOM 258 CA ASP A 17 3.318 -12.510 5.529 1.00 0.00 C ATOM 259 C ASP A 17 3.484 -10.996 5.410 1.00 0.00 C ATOM 260 O ASP A 17 4.519 -10.483 5.831 1.00 0.00 O ATOM 261 CB ASP A 17 4.478 -13.211 4.818 1.00 0.00 C ATOM 262 CG ASP A 17 4.433 -14.726 5.007 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.909 -15.192 6.066 1.00 0.00 O ATOM 264 OD2 ASP A 17 3.920 -15.407 4.087 1.00 0.00 O ATOM 0 H ASP A 17 1.814 -12.527 4.086 1.00 0.00 H new ATOM 0 HA ASP A 17 3.316 -12.752 6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.445 -12.977 3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.423 -12.826 5.200 1.00 0.00 H new ATOM 269 N ILE A 18 2.507 -10.269 4.852 1.00 0.00 N ATOM 270 CA ILE A 18 2.655 -8.829 4.665 1.00 0.00 C ATOM 271 C ILE A 18 1.403 -8.073 5.101 1.00 0.00 C ATOM 272 O ILE A 18 0.279 -8.562 4.976 1.00 0.00 O ATOM 273 CB ILE A 18 2.984 -8.501 3.200 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.208 -9.265 2.683 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.258 -7.004 3.046 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.778 -10.556 1.978 1.00 0.00 C ATOM 0 H ILE A 18 1.619 -10.652 4.528 1.00 0.00 H new ATOM 0 HA ILE A 18 3.483 -8.504 5.296 1.00 0.00 H new ATOM 0 HB ILE A 18 2.116 -8.804 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.771 -8.637 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.873 -9.502 3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.490 -6.782 2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.376 -6.440 3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.103 -6.722 3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.660 -11.085 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.236 -11.190 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.132 -10.312 1.135 1.00 0.00 H new ATOM 288 N THR A 19 1.619 -6.863 5.619 1.00 0.00 N ATOM 289 CA THR A 19 0.570 -5.935 6.008 1.00 0.00 C ATOM 290 C THR A 19 1.025 -4.532 5.616 1.00 0.00 C ATOM 291 O THR A 19 2.225 -4.264 5.539 1.00 0.00 O ATOM 292 CB THR A 19 0.318 -6.049 7.515 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.134 -7.352 7.815 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.738 -5.061 8.006 1.00 0.00 C ATOM 0 H THR A 19 2.557 -6.497 5.782 1.00 0.00 H new ATOM 0 HA THR A 19 -0.369 -6.162 5.504 1.00 0.00 H new ATOM 0 HB THR A 19 1.260 -5.825 8.015 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.295 -7.429 8.779 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.879 -5.183 9.080 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.409 -4.043 7.796 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.681 -5.251 7.493 1.00 0.00 H new ATOM 302 N ILE A 20 0.068 -3.639 5.366 1.00 0.00 N ATOM 303 CA ILE A 20 0.323 -2.280 4.906 1.00 0.00 C ATOM 304 C ILE A 20 -0.503 -1.315 5.748 1.00 0.00 C ATOM 305 O ILE A 20 -1.588 -1.682 6.201 1.00 0.00 O ATOM 306 CB ILE A 20 -0.071 -2.170 3.424 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.636 -3.214 2.551 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.208 -0.764 2.881 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.140 -2.978 2.433 1.00 0.00 C ATOM 0 H ILE A 20 -0.924 -3.847 5.481 1.00 0.00 H new ATOM 0 HA ILE A 20 1.379 -2.033 5.010 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.142 -2.366 3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.462 -4.206 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.194 -3.205 1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.080 -0.716 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.368 -0.034 3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.271 -0.542 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.581 -3.750 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.321 -1.999 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.593 -3.016 3.424 1.00 0.00 H new ATOM 321 N THR A 21 -0.003 -0.094 5.957 1.00 0.00 N ATOM 322 CA THR A 21 -0.683 0.883 6.798 1.00 0.00 C ATOM 323 C THR A 21 -0.459 2.294 6.268 1.00 0.00 C ATOM 324 O THR A 21 0.678 2.692 6.019 1.00 0.00 O ATOM 325 CB THR A 21 -0.144 0.773 8.229 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.338 -0.539 8.713 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.861 1.738 9.174 1.00 0.00 C ATOM 0 H THR A 21 0.873 0.238 5.552 1.00 0.00 H new ATOM 0 HA THR A 21 -1.754 0.679 6.788 1.00 0.00 H new ATOM 0 HB THR A 21 0.916 1.024 8.199 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.290 -0.682 8.898 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.453 1.633 10.179 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.715 2.761 8.829 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.926 1.509 9.189 1.00 0.00 H new ATOM 335 N ILE A 22 -1.544 3.050 6.096 1.00 0.00 N ATOM 336 CA ILE A 22 -1.495 4.440 5.679 1.00 0.00 C ATOM 337 C ILE A 22 -1.213 5.279 6.924 1.00 0.00 C ATOM 338 O ILE A 22 -2.121 5.604 7.686 1.00 0.00 O ATOM 339 CB ILE A 22 -2.808 4.815 4.962 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.000 6.325 4.803 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.038 4.258 5.678 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.837 6.958 4.051 1.00 0.00 C ATOM 0 H ILE A 22 -2.492 2.703 6.246 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.701 4.627 4.956 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.714 4.364 3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.930 6.521 4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.094 6.787 5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.938 4.549 5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.974 3.171 5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.081 4.657 6.691 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.006 8.031 3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.911 6.784 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.760 6.513 3.059 1.00 0.00 H new ATOM 354 N LEU A 23 0.057 5.640 7.146 1.00 0.00 N ATOM 355 CA LEU A 23 0.447 6.314 8.379 1.00 0.00 C ATOM 356 C LEU A 23 -0.094 7.745 8.390 1.00 0.00 C ATOM 357 O LEU A 23 -0.318 8.309 9.459 1.00 0.00 O ATOM 358 CB LEU A 23 1.973 6.332 8.547 1.00 0.00 C ATOM 359 CG LEU A 23 2.686 5.122 7.944 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.188 5.374 7.993 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.356 3.842 8.712 1.00 0.00 C ATOM 0 H LEU A 23 0.822 5.476 6.491 1.00 0.00 H new ATOM 0 HA LEU A 23 0.020 5.759 9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.367 7.238 8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.209 6.386 9.610 1.00 0.00 H new ATOM 0 HG LEU A 23 2.350 4.989 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.714 4.520 7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.425 6.270 7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.500 5.512 9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.879 3.000 8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.672 3.948 9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.281 3.663 8.677 1.00 0.00 H new ATOM 373 N GLY A 24 -0.306 8.328 7.204 1.00 0.00 N ATOM 374 CA GLY A 24 -0.905 9.648 7.078 1.00 0.00 C ATOM 375 C GLY A 24 -0.573 10.292 5.740 1.00 0.00 C ATOM 376 O GLY A 24 -0.007 9.645 4.858 1.00 0.00 O ATOM 0 H GLY A 24 -0.066 7.894 6.312 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.987 9.568 7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.551 10.287 7.887 1.00 0.00 H new ATOM 380 N VAL A 25 -0.924 11.572 5.585 1.00 0.00 N ATOM 381 CA VAL A 25 -0.632 12.317 4.364 1.00 0.00 C ATOM 382 C VAL A 25 0.054 13.638 4.698 1.00 0.00 C ATOM 383 O VAL A 25 0.141 14.032 5.860 1.00 0.00 O ATOM 384 CB VAL A 25 -1.893 12.538 3.515 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.723 11.260 3.394 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.768 13.666 4.059 1.00 0.00 C ATOM 0 H VAL A 25 -1.414 12.114 6.297 1.00 0.00 H new ATOM 0 HA VAL A 25 0.052 11.719 3.762 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.541 12.826 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.607 11.456 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.124 10.481 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.031 10.931 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.647 13.783 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.083 13.425 5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.200 14.596 4.067 1.00 0.00 H new ATOM 396 N SER A 26 0.538 14.317 3.658 1.00 0.00 N ATOM 397 CA SER A 26 1.254 15.578 3.768 1.00 0.00 C ATOM 398 C SER A 26 0.855 16.466 2.592 1.00 0.00 C ATOM 399 O SER A 26 1.701 17.100 1.966 1.00 0.00 O ATOM 400 CB SER A 26 2.754 15.308 3.746 1.00 0.00 C ATOM 401 OG SER A 26 3.183 14.757 4.975 1.00 0.00 O ATOM 0 H SER A 26 0.438 13.994 2.696 1.00 0.00 H new ATOM 0 HA SER A 26 1.004 16.080 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.993 14.623 2.932 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.292 16.236 3.551 1.00 0.00 H new ATOM 0 HG SER A 26 4.150 14.883 5.070 1.00 0.00 H new ATOM 407 N GLY A 27 -0.444 16.506 2.300 1.00 0.00 N ATOM 408 CA GLY A 27 -0.972 17.173 1.123 1.00 0.00 C ATOM 409 C GLY A 27 -1.397 16.114 0.117 1.00 0.00 C ATOM 410 O GLY A 27 -1.890 15.051 0.506 1.00 0.00 O ATOM 0 H GLY A 27 -1.161 16.072 2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.821 17.801 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.217 17.827 0.688 1.00 0.00 H new ATOM 414 N GLN A 28 -1.205 16.379 -1.175 1.00 0.00 N ATOM 415 CA GLN A 28 -1.475 15.383 -2.205 1.00 0.00 C ATOM 416 C GLN A 28 -0.381 14.314 -2.240 1.00 0.00 C ATOM 417 O GLN A 28 -0.401 13.429 -3.094 1.00 0.00 O ATOM 418 CB GLN A 28 -1.666 16.068 -3.557 1.00 0.00 C ATOM 419 CG GLN A 28 -3.119 15.879 -4.005 1.00 0.00 C ATOM 420 CD GLN A 28 -4.094 16.548 -3.034 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.641 15.781 -2.093 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.354 17.746 -3.134 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.865 17.273 -1.530 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.403 14.865 -1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.430 17.129 -3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.985 15.643 -4.295 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.251 16.298 -5.002 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.345 14.815 -4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.916 18.303 -3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.007 18.182 -2.483 1.00 0.00 H new ATOM 431 N GLN A 29 0.578 14.391 -1.313 1.00 0.00 N ATOM 432 CA GLN A 29 1.536 13.326 -1.097 1.00 0.00 C ATOM 433 C GLN A 29 1.092 12.497 0.105 1.00 0.00 C ATOM 434 O GLN A 29 0.383 12.993 0.983 1.00 0.00 O ATOM 435 CB GLN A 29 2.952 13.887 -0.959 1.00 0.00 C ATOM 436 CG GLN A 29 3.236 14.480 0.413 1.00 0.00 C ATOM 437 CD GLN A 29 4.656 15.024 0.473 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.139 15.616 -0.487 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.338 14.825 1.597 1.00 0.00 N ATOM 0 H GLN A 29 0.704 15.195 -0.698 1.00 0.00 H new ATOM 0 HA GLN A 29 1.567 12.663 -1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.671 13.092 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.106 14.655 -1.717 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.525 15.278 0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.099 13.718 1.181 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.905 14.328 2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.295 15.169 1.681 1.00 0.00 H new ATOM 448 N VAL A 30 1.506 11.233 0.146 1.00 0.00 N ATOM 449 CA VAL A 30 0.995 10.260 1.093 1.00 0.00 C ATOM 450 C VAL A 30 2.159 9.453 1.651 1.00 0.00 C ATOM 451 O VAL A 30 3.156 9.249 0.961 1.00 0.00 O ATOM 452 CB VAL A 30 0.002 9.352 0.353 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.567 8.279 1.276 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.168 10.167 -0.203 1.00 0.00 C ATOM 0 H VAL A 30 2.213 10.857 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 30 0.486 10.748 1.924 1.00 0.00 H new ATOM 0 HB VAL A 30 0.553 8.880 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.266 7.654 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.245 7.662 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.087 8.753 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.859 9.504 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.688 10.662 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.791 10.916 -0.899 1.00 0.00 H new ATOM 464 N ARG A 31 2.036 8.993 2.903 1.00 0.00 N ATOM 465 CA ARG A 31 3.095 8.232 3.554 1.00 0.00 C ATOM 466 C ARG A 31 2.516 6.946 4.122 1.00 0.00 C ATOM 467 O ARG A 31 1.515 6.957 4.844 1.00 0.00 O ATOM 468 CB ARG A 31 3.768 9.085 4.627 1.00 0.00 C ATOM 469 CG ARG A 31 5.009 8.380 5.174 1.00 0.00 C ATOM 470 CD ARG A 31 5.842 9.356 6.009 1.00 0.00 C ATOM 471 NE ARG A 31 6.515 10.344 5.155 1.00 0.00 N ATOM 472 CZ ARG A 31 6.167 11.627 5.033 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.127 12.129 5.698 1.00 0.00 N ATOM 474 NH2 ARG A 31 6.869 12.421 4.235 1.00 0.00 N ATOM 0 H ARG A 31 1.209 9.138 3.482 1.00 0.00 H new ATOM 0 HA ARG A 31 3.863 7.962 2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.047 10.052 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.066 9.279 5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.713 7.527 5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.608 7.990 4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.198 9.868 6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.584 8.804 6.586 1.00 0.00 H new ATOM 0 HE ARG A 31 7.315 10.023 4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.579 11.530 6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.879 13.112 5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.668 12.050 3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.610 13.403 4.136 1.00 0.00 H new ATOM 488 N ILE A 32 3.172 5.841 3.779 1.00 0.00 N ATOM 489 CA ILE A 32 2.658 4.503 4.007 1.00 0.00 C ATOM 490 C ILE A 32 3.766 3.642 4.600 1.00 0.00 C ATOM 491 O ILE A 32 4.940 3.840 4.295 1.00 0.00 O ATOM 492 CB ILE A 32 2.197 3.943 2.651 1.00 0.00 C ATOM 493 CG1 ILE A 32 1.166 4.877 1.991 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.602 2.541 2.807 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.922 4.521 0.522 1.00 0.00 C ATOM 0 H ILE A 32 4.087 5.855 3.329 1.00 0.00 H new ATOM 0 HA ILE A 32 1.820 4.511 4.704 1.00 0.00 H new ATOM 0 HB ILE A 32 3.075 3.879 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.225 4.821 2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.514 5.907 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.285 2.170 1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.354 1.871 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.743 2.583 3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.188 5.206 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.857 4.603 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.547 3.500 0.453 1.00 0.00 H new ATOM 507 N GLY A 33 3.383 2.691 5.445 1.00 0.00 N ATOM 508 CA GLY A 33 4.314 1.772 6.076 1.00 0.00 C ATOM 509 C GLY A 33 4.047 0.355 5.593 1.00 0.00 C ATOM 510 O GLY A 33 2.970 0.051 5.079 1.00 0.00 O ATOM 0 H GLY A 33 2.410 2.538 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.339 2.059 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.210 1.822 7.160 1.00 0.00 H new ATOM 514 N ILE A 34 5.043 -0.510 5.760 1.00 0.00 N ATOM 515 CA ILE A 34 4.976 -1.886 5.310 1.00 0.00 C ATOM 516 C ILE A 34 5.493 -2.761 6.436 1.00 0.00 C ATOM 517 O ILE A 34 6.374 -2.362 7.195 1.00 0.00 O ATOM 518 CB ILE A 34 5.815 -2.057 4.037 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.317 -1.089 2.959 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.724 -3.500 3.532 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.176 -1.130 1.692 1.00 0.00 C ATOM 0 H ILE A 34 5.923 -0.269 6.215 1.00 0.00 H new ATOM 0 HA ILE A 34 3.953 -2.172 5.066 1.00 0.00 H new ATOM 0 HB ILE A 34 6.857 -1.834 4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.286 -1.334 2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.314 -0.075 3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.324 -3.608 2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.098 -4.178 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.685 -3.743 3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.780 -0.426 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.202 -0.858 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.159 -2.136 1.273 1.00 0.00 H new ATOM 533 N ASN A 35 4.936 -3.961 6.539 1.00 0.00 N ATOM 534 CA ASN A 35 5.238 -4.872 7.625 1.00 0.00 C ATOM 535 C ASN A 35 5.371 -6.271 7.045 1.00 0.00 C ATOM 536 O ASN A 35 4.391 -7.007 6.926 1.00 0.00 O ATOM 537 CB ASN A 35 4.134 -4.781 8.678 1.00 0.00 C ATOM 538 CG ASN A 35 4.436 -5.629 9.904 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.527 -6.170 10.046 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.467 -5.752 10.804 1.00 0.00 N ATOM 0 H ASN A 35 4.261 -4.327 5.868 1.00 0.00 H new ATOM 0 HA ASN A 35 6.176 -4.614 8.117 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.008 -3.741 8.980 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.189 -5.103 8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.619 -6.310 11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.571 -5.288 10.655 1.00 0.00 H new ATOM 547 N ALA A 36 6.604 -6.625 6.686 1.00 0.00 N ATOM 548 CA ALA A 36 6.917 -7.899 6.065 1.00 0.00 C ATOM 549 C ALA A 36 8.235 -8.437 6.600 1.00 0.00 C ATOM 550 O ALA A 36 9.069 -7.662 7.080 1.00 0.00 O ATOM 551 CB ALA A 36 7.023 -7.695 4.555 1.00 0.00 C ATOM 0 H ALA A 36 7.418 -6.025 6.822 1.00 0.00 H new ATOM 0 HA ALA A 36 6.130 -8.618 6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.258 -8.645 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.074 -7.319 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.812 -6.975 4.340 1.00 0.00 H new ATOM 557 N PRO A 37 8.433 -9.756 6.521 1.00 0.00 N ATOM 558 CA PRO A 37 9.691 -10.389 6.864 1.00 0.00 C ATOM 559 C PRO A 37 10.776 -9.979 5.876 1.00 0.00 C ATOM 560 O PRO A 37 10.487 -9.576 4.750 1.00 0.00 O ATOM 561 CB PRO A 37 9.418 -11.890 6.765 1.00 0.00 C ATOM 562 CG PRO A 37 8.230 -12.001 5.813 1.00 0.00 C ATOM 563 CD PRO A 37 7.447 -10.728 6.092 1.00 0.00 C ATOM 0 HA PRO A 37 10.040 -10.101 7.856 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.286 -12.427 6.381 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.186 -12.316 7.741 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.551 -12.058 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.635 -12.892 6.012 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.921 -10.387 5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.694 -10.891 6.863 1.00 0.00 H new ATOM 571 N LYS A 38 12.042 -10.082 6.289 1.00 0.00 N ATOM 572 CA LYS A 38 13.175 -9.832 5.405 1.00 0.00 C ATOM 573 C LYS A 38 13.277 -10.950 4.365 1.00 0.00 C ATOM 574 O LYS A 38 14.143 -10.918 3.493 1.00 0.00 O ATOM 575 CB LYS A 38 14.450 -9.704 6.242 1.00 0.00 C ATOM 576 CG LYS A 38 14.301 -8.615 7.313 1.00 0.00 C ATOM 577 CD LYS A 38 14.078 -7.227 6.708 1.00 0.00 C ATOM 578 CE LYS A 38 15.365 -6.628 6.143 1.00 0.00 C ATOM 579 NZ LYS A 38 16.318 -6.294 7.221 1.00 0.00 N ATOM 0 H LYS A 38 12.306 -10.340 7.240 1.00 0.00 H new ATOM 0 HA LYS A 38 13.034 -8.896 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.673 -10.659 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.293 -9.467 5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.463 -8.863 7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.195 -8.597 7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.332 -7.294 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.674 -6.561 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.826 -7.335 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.131 -5.731 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.040 -5.641 6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.809 -5.842 8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.777 -7.163 7.560 1.00 0.00 H new ATOM 593 N ASP A 39 12.377 -11.930 4.469 1.00 0.00 N ATOM 594 CA ASP A 39 12.207 -13.018 3.515 1.00 0.00 C ATOM 595 C ASP A 39 11.637 -12.508 2.193 1.00 0.00 C ATOM 596 O ASP A 39 11.572 -13.257 1.221 1.00 0.00 O ATOM 597 CB ASP A 39 11.251 -14.047 4.117 1.00 0.00 C ATOM 598 CG ASP A 39 11.928 -14.862 5.214 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.591 -15.861 4.853 1.00 0.00 O ATOM 600 OD2 ASP A 39 11.782 -14.483 6.395 1.00 0.00 O ATOM 0 H ASP A 39 11.724 -11.986 5.251 1.00 0.00 H new ATOM 0 HA ASP A 39 13.179 -13.467 3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.378 -13.539 4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.893 -14.715 3.334 1.00 0.00 H new ATOM 605 N VAL A 40 11.222 -11.238 2.155 1.00 0.00 N ATOM 606 CA VAL A 40 10.669 -10.607 0.962 1.00 0.00 C ATOM 607 C VAL A 40 11.238 -9.202 0.835 1.00 0.00 C ATOM 608 O VAL A 40 11.761 -8.643 1.800 1.00 0.00 O ATOM 609 CB VAL A 40 9.136 -10.578 1.007 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.567 -11.974 1.258 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.628 -9.654 2.108 1.00 0.00 C ATOM 0 H VAL A 40 11.263 -10.616 2.963 1.00 0.00 H new ATOM 0 HA VAL A 40 10.951 -11.192 0.086 1.00 0.00 H new ATOM 0 HB VAL A 40 8.803 -10.209 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.478 -11.924 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.880 -12.644 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.937 -12.352 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.538 -9.657 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.995 -10.002 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.987 -8.641 1.927 1.00 0.00 H new ATOM 621 N ALA A 41 11.129 -8.618 -0.360 1.00 0.00 N ATOM 622 CA ALA A 41 11.696 -7.315 -0.634 1.00 0.00 C ATOM 623 C ALA A 41 10.592 -6.275 -0.791 1.00 0.00 C ATOM 624 O ALA A 41 9.518 -6.583 -1.305 1.00 0.00 O ATOM 625 CB ALA A 41 12.514 -7.414 -1.923 1.00 0.00 C ATOM 0 H ALA A 41 10.647 -9.039 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 41 12.333 -7.005 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.952 -6.443 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.308 -8.149 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.865 -7.721 -2.743 1.00 0.00 H new ATOM 631 N VAL A 42 10.852 -5.042 -0.347 1.00 0.00 N ATOM 632 CA VAL A 42 9.898 -3.945 -0.493 1.00 0.00 C ATOM 633 C VAL A 42 10.646 -2.640 -0.741 1.00 0.00 C ATOM 634 O VAL A 42 11.538 -2.278 0.023 1.00 0.00 O ATOM 635 CB VAL A 42 8.989 -3.839 0.743 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.179 -5.121 0.931 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.760 -3.592 2.036 1.00 0.00 C ATOM 0 H VAL A 42 11.721 -4.780 0.119 1.00 0.00 H new ATOM 0 HA VAL A 42 9.258 -4.147 -1.352 1.00 0.00 H new ATOM 0 HB VAL A 42 8.340 -2.984 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.543 -5.024 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.558 -5.291 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.857 -5.964 1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.061 -3.527 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.455 -4.414 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.316 -2.658 1.955 1.00 0.00 H new ATOM 647 N HIS A 43 10.292 -1.923 -1.813 1.00 0.00 N ATOM 648 CA HIS A 43 10.938 -0.653 -2.126 1.00 0.00 C ATOM 649 C HIS A 43 10.036 0.221 -2.988 1.00 0.00 C ATOM 650 O HIS A 43 9.061 -0.261 -3.564 1.00 0.00 O ATOM 651 CB HIS A 43 12.246 -0.872 -2.905 1.00 0.00 C ATOM 652 CG HIS A 43 13.039 -2.090 -2.527 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.132 -2.102 -1.660 1.00 0.00 N ATOM 654 CD2 HIS A 43 12.812 -3.357 -2.984 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.543 -3.378 -1.617 1.00 0.00 C ATOM 656 NE2 HIS A 43 13.772 -4.151 -2.403 1.00 0.00 N ATOM 0 H HIS A 43 9.566 -2.202 -2.472 1.00 0.00 H new ATOM 0 HA HIS A 43 11.143 -0.165 -1.173 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.008 -0.933 -3.967 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.878 0.006 -2.770 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.534 -1.307 -1.163 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.035 -3.672 -3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.378 -3.735 -1.032 1.00 0.00 H new ATOM 664 N ARG A 44 10.370 1.512 -3.077 1.00 0.00 N ATOM 665 CA ARG A 44 9.742 2.412 -4.033 1.00 0.00 C ATOM 666 C ARG A 44 10.320 2.119 -5.415 1.00 0.00 C ATOM 667 O ARG A 44 11.409 1.554 -5.513 1.00 0.00 O ATOM 668 CB ARG A 44 9.938 3.873 -3.609 1.00 0.00 C ATOM 669 CG ARG A 44 11.415 4.254 -3.457 1.00 0.00 C ATOM 670 CD ARG A 44 11.535 5.663 -2.880 1.00 0.00 C ATOM 671 NE ARG A 44 12.924 5.967 -2.504 1.00 0.00 N ATOM 672 CZ ARG A 44 13.657 6.979 -2.987 1.00 0.00 C ATOM 673 NH1 ARG A 44 13.187 7.804 -3.918 1.00 0.00 N ATOM 674 NH2 ARG A 44 14.889 7.170 -2.534 1.00 0.00 N ATOM 0 H ARG A 44 11.078 1.954 -2.491 1.00 0.00 H new ATOM 0 HA ARG A 44 8.665 2.249 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.473 4.526 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.424 4.044 -2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.918 3.541 -2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.913 4.205 -4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.187 6.390 -3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.890 5.757 -2.006 1.00 0.00 H new ATOM 0 HE ARG A 44 13.366 5.356 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.244 7.675 -4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.770 8.566 -4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.273 6.548 -1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.453 7.939 -2.897 1.00 0.00 H new ATOM 688 N GLU A 45 9.599 2.498 -6.472 1.00 0.00 N ATOM 689 CA GLU A 45 9.994 2.181 -7.843 1.00 0.00 C ATOM 690 C GLU A 45 11.462 2.496 -8.114 1.00 0.00 C ATOM 691 O GLU A 45 12.136 1.754 -8.820 1.00 0.00 O ATOM 692 CB GLU A 45 9.153 2.989 -8.830 1.00 0.00 C ATOM 693 CG GLU A 45 7.664 2.756 -8.616 1.00 0.00 C ATOM 694 CD GLU A 45 6.856 3.494 -9.679 1.00 0.00 C ATOM 695 OE1 GLU A 45 6.682 2.919 -10.775 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.418 4.627 -9.388 1.00 0.00 O ATOM 0 H GLU A 45 8.731 3.029 -6.402 1.00 0.00 H new ATOM 0 HA GLU A 45 9.835 1.110 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.376 4.050 -8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.423 2.714 -9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.446 1.689 -8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.374 3.101 -7.624 1.00 0.00 H new ATOM 703 N GLU A 46 11.951 3.595 -7.551 1.00 0.00 N ATOM 704 CA GLU A 46 13.307 4.065 -7.781 1.00 0.00 C ATOM 705 C GLU A 46 14.352 3.038 -7.358 1.00 0.00 C ATOM 706 O GLU A 46 15.305 2.790 -8.088 1.00 0.00 O ATOM 707 CB GLU A 46 13.543 5.361 -7.000 1.00 0.00 C ATOM 708 CG GLU A 46 12.603 6.486 -7.430 1.00 0.00 C ATOM 709 CD GLU A 46 11.297 6.525 -6.634 1.00 0.00 C ATOM 710 OE1 GLU A 46 10.401 5.694 -6.897 1.00 0.00 O ATOM 711 OE2 GLU A 46 11.199 7.403 -5.750 1.00 0.00 O ATOM 0 H GLU A 46 11.412 4.187 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 46 13.413 4.236 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.410 5.169 -5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.575 5.682 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.116 7.441 -7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.371 6.371 -8.489 1.00 0.00 H new ATOM 718 N ILE A 47 14.172 2.440 -6.178 1.00 0.00 N ATOM 719 CA ILE A 47 15.096 1.442 -5.664 1.00 0.00 C ATOM 720 C ILE A 47 14.775 0.101 -6.306 1.00 0.00 C ATOM 721 O ILE A 47 15.676 -0.704 -6.540 1.00 0.00 O ATOM 722 CB ILE A 47 14.949 1.346 -4.140 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.632 2.493 -3.398 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.587 0.056 -3.616 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.128 3.869 -3.830 1.00 0.00 C ATOM 0 H ILE A 47 13.385 2.636 -5.560 1.00 0.00 H new ATOM 0 HA ILE A 47 16.122 1.723 -5.901 1.00 0.00 H new ATOM 0 HB ILE A 47 13.875 1.378 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.470 2.373 -2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.708 2.437 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.472 0.007 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.097 -0.804 -4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.647 0.046 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.652 4.642 -3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.315 4.007 -4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.058 3.942 -3.637 1.00 0.00 H new ATOM 737 N TYR A 48 13.490 -0.133 -6.588 1.00 0.00 N ATOM 738 CA TYR A 48 13.021 -1.395 -7.124 1.00 0.00 C ATOM 739 C TYR A 48 13.693 -1.744 -8.454 1.00 0.00 C ATOM 740 O TYR A 48 13.863 -2.918 -8.779 1.00 0.00 O ATOM 741 CB TYR A 48 11.515 -1.322 -7.316 1.00 0.00 C ATOM 742 CG TYR A 48 10.970 -2.598 -7.897 1.00 0.00 C ATOM 743 CD1 TYR A 48 10.727 -3.700 -7.068 1.00 0.00 C ATOM 744 CD2 TYR A 48 10.727 -2.680 -9.272 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.232 -4.894 -7.608 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.244 -3.872 -9.825 1.00 0.00 C ATOM 747 CZ TYR A 48 9.979 -4.981 -8.995 1.00 0.00 C ATOM 748 OH TYR A 48 9.477 -6.131 -9.529 1.00 0.00 O ATOM 0 H TYR A 48 12.751 0.556 -6.447 1.00 0.00 H new ATOM 0 HA TYR A 48 13.280 -2.180 -6.413 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.034 -1.123 -6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.271 -0.488 -7.974 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.922 -3.629 -6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.912 -1.825 -9.906 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.045 -5.743 -6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.074 -3.942 -10.889 1.00 0.00 H new ATOM 0 HH TYR A 48 9.362 -6.020 -10.496 1.00 0.00 H new ATOM 1605 N MET C 1 8.845 -2.320 10.606 1.00 0.00 N ATOM 1606 CA MET C 1 8.137 -1.483 9.622 1.00 0.00 C ATOM 1607 C MET C 1 9.116 -0.900 8.617 1.00 0.00 C ATOM 1608 O MET C 1 10.257 -0.617 8.973 1.00 0.00 O ATOM 1609 CB MET C 1 7.401 -0.344 10.329 1.00 0.00 C ATOM 1610 CG MET C 1 6.434 0.397 9.407 1.00 0.00 C ATOM 1611 SD MET C 1 4.843 -0.427 9.200 1.00 0.00 S ATOM 1612 CE MET C 1 4.170 0.073 10.799 1.00 0.00 C ATOM 0 H1 MET C 1 8.644 -3.323 10.418 1.00 0.00 H new ATOM 0 H2 MET C 1 9.869 -2.153 10.532 1.00 0.00 H new ATOM 0 H3 MET C 1 8.523 -2.076 11.564 1.00 0.00 H new ATOM 0 HA MET C 1 7.416 -2.110 9.097 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.850 -0.746 11.179 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.130 0.362 10.727 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.264 1.398 9.804 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.900 0.517 8.429 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.882 -0.813 11.366 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.926 0.629 11.354 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.295 0.705 10.644 1.00 0.00 H new ATOM 1624 N LEU C 2 8.677 -0.716 7.374 1.00 0.00 N ATOM 1625 CA LEU C 2 9.463 -0.061 6.346 1.00 0.00 C ATOM 1626 C LEU C 2 8.560 0.977 5.685 1.00 0.00 C ATOM 1627 O LEU C 2 7.554 0.630 5.068 1.00 0.00 O ATOM 1628 CB LEU C 2 9.999 -1.129 5.382 1.00 0.00 C ATOM 1629 CG LEU C 2 10.886 -0.603 4.246 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.042 -0.068 3.089 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.837 0.500 4.706 1.00 0.00 C ATOM 0 H LEU C 2 7.758 -1.022 7.055 1.00 0.00 H new ATOM 0 HA LEU C 2 10.337 0.459 6.738 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.568 -1.860 5.956 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.152 -1.657 4.944 1.00 0.00 H new ATOM 0 HG LEU C 2 11.479 -1.455 3.913 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.698 0.298 2.299 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.413 -0.867 2.697 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.412 0.748 3.445 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.441 0.835 3.863 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.260 1.339 5.095 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.490 0.114 5.489 1.00 0.00 H new ATOM 1643 N ILE C 3 8.926 2.255 5.817 1.00 0.00 N ATOM 1644 CA ILE C 3 8.077 3.359 5.396 1.00 0.00 C ATOM 1645 C ILE C 3 8.562 3.916 4.064 1.00 0.00 C ATOM 1646 O ILE C 3 9.757 3.945 3.787 1.00 0.00 O ATOM 1647 CB ILE C 3 8.050 4.454 6.476 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.321 3.969 7.733 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.296 5.692 5.979 1.00 0.00 C ATOM 1650 CD1 ILE C 3 8.221 3.174 8.668 1.00 0.00 C ATOM 0 H ILE C 3 9.817 2.547 6.218 1.00 0.00 H new ATOM 0 HA ILE C 3 7.059 2.992 5.261 1.00 0.00 H new ATOM 0 HB ILE C 3 9.089 4.695 6.701 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.918 4.829 8.268 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.473 3.350 7.440 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.290 6.452 6.760 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.790 6.087 5.091 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.270 5.418 5.732 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.650 2.857 9.541 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.603 2.297 8.146 1.00 0.00 H new ATOM 0 HD13 ILE C 3 9.055 3.798 8.988 1.00 0.00 H new ATOM 1662 N LEU C 4 7.602 4.359 3.252 1.00 0.00 N ATOM 1663 CA LEU C 4 7.829 4.942 1.942 1.00 0.00 C ATOM 1664 C LEU C 4 6.818 6.062 1.714 1.00 0.00 C ATOM 1665 O LEU C 4 5.753 6.076 2.333 1.00 0.00 O ATOM 1666 CB LEU C 4 7.713 3.862 0.863 1.00 0.00 C ATOM 1667 CG LEU C 4 8.830 2.819 0.969 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.597 1.701 -0.035 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.192 3.434 0.662 1.00 0.00 C ATOM 0 H LEU C 4 6.614 4.318 3.502 1.00 0.00 H new ATOM 0 HA LEU C 4 8.834 5.361 1.888 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.746 3.367 0.949 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.746 4.329 -0.121 1.00 0.00 H new ATOM 0 HG LEU C 4 8.819 2.437 1.990 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.396 0.965 0.048 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.640 1.222 0.170 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.588 2.114 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.964 2.669 0.746 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.189 3.838 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.397 4.236 1.371 1.00 0.00 H new ATOM 1681 N THR C 5 7.157 6.998 0.831 1.00 0.00 N ATOM 1682 CA THR C 5 6.333 8.177 0.603 1.00 0.00 C ATOM 1683 C THR C 5 6.122 8.364 -0.896 1.00 0.00 C ATOM 1684 O THR C 5 7.044 8.163 -1.688 1.00 0.00 O ATOM 1685 CB THR C 5 7.019 9.396 1.233 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.383 9.102 2.562 1.00 0.00 O ATOM 1687 CG2 THR C 5 6.094 10.603 1.265 1.00 0.00 C ATOM 0 H THR C 5 8.001 6.960 0.260 1.00 0.00 H new ATOM 0 HA THR C 5 5.355 8.057 1.068 1.00 0.00 H new ATOM 0 HB THR C 5 7.894 9.626 0.625 1.00 0.00 H new ATOM 0 HG1 THR C 5 8.184 9.613 2.802 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.613 11.448 1.718 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.798 10.862 0.248 1.00 0.00 H new ATOM 0 HG23 THR C 5 5.207 10.366 1.852 1.00 0.00 H new ATOM 1695 N ARG C 6 4.902 8.750 -1.274 1.00 0.00 N ATOM 1696 CA ARG C 6 4.483 8.882 -2.665 1.00 0.00 C ATOM 1697 C ARG C 6 3.583 10.090 -2.842 1.00 0.00 C ATOM 1698 O ARG C 6 3.285 10.806 -1.890 1.00 0.00 O ATOM 1699 CB ARG C 6 3.700 7.622 -3.065 1.00 0.00 C ATOM 1700 CG ARG C 6 4.482 6.307 -3.004 1.00 0.00 C ATOM 1701 CD ARG C 6 5.387 6.087 -4.219 1.00 0.00 C ATOM 1702 NE ARG C 6 6.555 6.968 -4.212 1.00 0.00 N ATOM 1703 CZ ARG C 6 7.643 6.810 -4.973 1.00 0.00 C ATOM 1704 NH1 ARG C 6 7.748 5.804 -5.839 1.00 0.00 N ATOM 1705 NH2 ARG C 6 8.644 7.674 -4.861 1.00 0.00 N ATOM 0 H ARG C 6 4.166 8.983 -0.607 1.00 0.00 H new ATOM 0 HA ARG C 6 5.367 9.006 -3.290 1.00 0.00 H new ATOM 0 HB2 ARG C 6 2.829 7.536 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG C 6 3.328 7.755 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG C 6 5.090 6.295 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG C 6 3.779 5.477 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.719 5.049 -4.238 1.00 0.00 H new ATOM 0 HD3 ARG C 6 4.814 6.255 -5.131 1.00 0.00 H new ATOM 0 HE ARG C 6 6.538 7.766 -3.576 1.00 0.00 H new ATOM 0 HH11 ARG C 6 6.987 5.131 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG C 6 8.589 5.706 -6.408 1.00 0.00 H new ATOM 0 HH21 ARG C 6 8.578 8.448 -4.200 1.00 0.00 H new ATOM 0 HH22 ARG C 6 9.479 7.564 -5.436 1.00 0.00 H new ATOM 1719 N LYS C 7 3.156 10.299 -4.084 1.00 0.00 N ATOM 1720 CA LYS C 7 2.171 11.295 -4.456 1.00 0.00 C ATOM 1721 C LYS C 7 1.126 10.604 -5.315 1.00 0.00 C ATOM 1722 O LYS C 7 1.417 9.571 -5.915 1.00 0.00 O ATOM 1723 CB LYS C 7 2.838 12.434 -5.227 1.00 0.00 C ATOM 1724 CG LYS C 7 3.164 13.622 -4.326 1.00 0.00 C ATOM 1725 CD LYS C 7 3.630 14.789 -5.196 1.00 0.00 C ATOM 1726 CE LYS C 7 3.533 16.111 -4.434 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.508 16.195 -3.329 1.00 0.00 N ATOM 0 H LYS C 7 3.500 9.761 -4.879 1.00 0.00 H new ATOM 0 HA LYS C 7 1.705 11.727 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.754 12.069 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS C 7 2.180 12.760 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS C 7 2.285 13.910 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS C 7 3.941 13.351 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.659 14.623 -5.514 1.00 0.00 H new ATOM 0 HD3 LYS C 7 3.022 14.840 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS C 7 3.698 16.938 -5.124 1.00 0.00 H new ATOM 0 HE3 LYS C 7 2.525 16.225 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 4.020 16.483 -2.457 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 4.952 15.265 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 5.240 16.896 -3.564 1.00 0.00 H new ATOM 1741 N VAL C 8 -0.085 11.158 -5.386 1.00 0.00 N ATOM 1742 CA VAL C 8 -1.150 10.486 -6.119 1.00 0.00 C ATOM 1743 C VAL C 8 -0.746 10.240 -7.569 1.00 0.00 C ATOM 1744 O VAL C 8 -0.504 11.170 -8.337 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.486 11.215 -5.977 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.872 11.228 -4.499 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.483 12.653 -6.481 1.00 0.00 C ATOM 0 H VAL C 8 -0.346 12.046 -4.957 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.304 9.504 -5.671 1.00 0.00 H new ATOM 0 HB VAL C 8 -3.198 10.672 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.824 11.744 -4.376 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.966 10.204 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -2.102 11.745 -3.926 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.472 13.090 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.747 13.232 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -2.228 12.667 -7.541 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.677 8.956 -7.932 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.292 8.508 -9.263 1.00 0.00 C ATOM 1759 C GLY C 9 1.003 7.690 -9.259 1.00 0.00 C ATOM 1760 O GLY C 9 1.291 7.001 -10.236 1.00 0.00 O ATOM 0 H GLY C 9 -0.892 8.190 -7.294 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -1.096 7.906 -9.686 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -0.168 9.375 -9.912 1.00 0.00 H new ATOM 1764 N GLU C 10 1.784 7.756 -8.177 1.00 0.00 N ATOM 1765 CA GLU C 10 3.034 7.011 -8.056 1.00 0.00 C ATOM 1766 C GLU C 10 2.780 5.608 -7.498 1.00 0.00 C ATOM 1767 O GLU C 10 1.645 5.266 -7.161 1.00 0.00 O ATOM 1768 CB GLU C 10 4.015 7.774 -7.163 1.00 0.00 C ATOM 1769 CG GLU C 10 4.365 9.137 -7.764 1.00 0.00 C ATOM 1770 CD GLU C 10 5.462 9.832 -6.960 1.00 0.00 C ATOM 1771 OE1 GLU C 10 5.422 9.735 -5.713 1.00 0.00 O ATOM 1772 OE2 GLU C 10 6.338 10.456 -7.601 1.00 0.00 O ATOM 0 H GLU C 10 1.565 8.328 -7.362 1.00 0.00 H new ATOM 0 HA GLU C 10 3.471 6.905 -9.049 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.579 7.911 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.924 7.187 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.693 9.009 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.475 9.766 -7.788 1.00 0.00 H new ATOM 1779 N SER C 11 3.834 4.791 -7.399 1.00 0.00 N ATOM 1780 CA SER C 11 3.696 3.378 -7.052 1.00 0.00 C ATOM 1781 C SER C 11 4.804 2.880 -6.130 1.00 0.00 C ATOM 1782 O SER C 11 5.794 3.571 -5.886 1.00 0.00 O ATOM 1783 CB SER C 11 3.698 2.538 -8.333 1.00 0.00 C ATOM 1784 OG SER C 11 2.619 2.904 -9.165 1.00 0.00 O ATOM 0 H SER C 11 4.797 5.089 -7.556 1.00 0.00 H new ATOM 0 HA SER C 11 2.754 3.273 -6.514 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.639 2.678 -8.865 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.628 1.480 -8.081 1.00 0.00 H new ATOM 0 HG SER C 11 2.635 2.360 -9.980 1.00 0.00 H new ATOM 1790 N ILE C 12 4.613 1.656 -5.623 1.00 0.00 N ATOM 1791 CA ILE C 12 5.487 0.968 -4.679 1.00 0.00 C ATOM 1792 C ILE C 12 5.521 -0.509 -5.090 1.00 0.00 C ATOM 1793 O ILE C 12 4.628 -0.961 -5.807 1.00 0.00 O ATOM 1794 CB ILE C 12 4.920 1.138 -3.259 1.00 0.00 C ATOM 1795 CG1 ILE C 12 4.896 2.611 -2.824 1.00 0.00 C ATOM 1796 CG2 ILE C 12 5.686 0.306 -2.228 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.287 3.197 -2.580 1.00 0.00 C ATOM 0 H ILE C 12 3.801 1.094 -5.877 1.00 0.00 H new ATOM 0 HA ILE C 12 6.498 1.375 -4.687 1.00 0.00 H new ATOM 0 HB ILE C 12 3.894 0.772 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.392 3.200 -3.590 1.00 0.00 H new ATOM 0 HG13 ILE C 12 4.306 2.703 -1.912 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.250 0.458 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.624 -0.749 -2.493 1.00 0.00 H new ATOM 0 HG23 ILE C 12 6.731 0.616 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.194 4.240 -2.276 1.00 0.00 H new ATOM 0 HD12 ILE C 12 6.787 2.632 -1.793 1.00 0.00 H new ATOM 0 HD13 ILE C 12 6.873 3.137 -3.497 1.00 0.00 H new ATOM 1809 N ASN C 13 6.527 -1.269 -4.651 1.00 0.00 N ATOM 1810 CA ASN C 13 6.677 -2.654 -5.068 1.00 0.00 C ATOM 1811 C ASN C 13 6.934 -3.581 -3.882 1.00 0.00 C ATOM 1812 O ASN C 13 7.485 -3.165 -2.860 1.00 0.00 O ATOM 1813 CB ASN C 13 7.831 -2.737 -6.070 1.00 0.00 C ATOM 1814 CG ASN C 13 7.552 -1.924 -7.328 1.00 0.00 C ATOM 1815 OD1 ASN C 13 7.990 -0.783 -7.439 1.00 0.00 O ATOM 1816 ND2 ASN C 13 6.826 -2.506 -8.279 1.00 0.00 N ATOM 0 H ASN C 13 7.247 -0.943 -4.007 1.00 0.00 H new ATOM 0 HA ASN C 13 5.748 -2.984 -5.532 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.746 -2.376 -5.600 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.002 -3.779 -6.342 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.615 -2.002 -9.140 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.481 -3.457 -8.147 1.00 0.00 H new ATOM 1823 N ILE C 14 6.531 -4.846 -4.041 1.00 0.00 N ATOM 1824 CA ILE C 14 6.684 -5.891 -3.033 1.00 0.00 C ATOM 1825 C ILE C 14 7.012 -7.210 -3.731 1.00 0.00 C ATOM 1826 O ILE C 14 6.380 -7.569 -4.726 1.00 0.00 O ATOM 1827 CB ILE C 14 5.393 -6.045 -2.217 1.00 0.00 C ATOM 1828 CG1 ILE C 14 5.019 -4.720 -1.533 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.560 -7.166 -1.185 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.709 -4.822 -0.752 1.00 0.00 C ATOM 0 H ILE C 14 6.080 -5.175 -4.894 1.00 0.00 H new ATOM 0 HA ILE C 14 7.491 -5.617 -2.353 1.00 0.00 H new ATOM 0 HB ILE C 14 4.580 -6.311 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.821 -4.423 -0.857 1.00 0.00 H new ATOM 0 HG13 ILE C 14 4.931 -3.937 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.640 -7.270 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.775 -8.103 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.383 -6.922 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.487 -3.862 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.900 -5.092 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.804 -5.586 0.020 1.00 0.00 H new ATOM 1842 N GLY C 15 8.001 -7.930 -3.196 1.00 0.00 N ATOM 1843 CA GLY C 15 8.445 -9.196 -3.759 1.00 0.00 C ATOM 1844 C GLY C 15 8.757 -9.045 -5.245 1.00 0.00 C ATOM 1845 O GLY C 15 9.274 -8.015 -5.680 1.00 0.00 O ATOM 0 H GLY C 15 8.513 -7.647 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.332 -9.544 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.673 -9.953 -3.619 1.00 0.00 H new ATOM 1849 N ASP C 16 8.438 -10.077 -6.025 1.00 0.00 N ATOM 1850 CA ASP C 16 8.618 -10.080 -7.471 1.00 0.00 C ATOM 1851 C ASP C 16 7.299 -10.410 -8.172 1.00 0.00 C ATOM 1852 O ASP C 16 7.289 -10.745 -9.357 1.00 0.00 O ATOM 1853 CB ASP C 16 9.757 -11.027 -7.855 1.00 0.00 C ATOM 1854 CG ASP C 16 9.453 -12.489 -7.523 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.394 -12.806 -6.314 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.289 -13.278 -8.480 1.00 0.00 O ATOM 0 H ASP C 16 8.042 -10.945 -5.663 1.00 0.00 H new ATOM 0 HA ASP C 16 8.907 -9.085 -7.809 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.954 -10.936 -8.923 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.666 -10.723 -7.336 1.00 0.00 H new ATOM 1861 N ASP C 17 6.181 -10.328 -7.439 1.00 0.00 N ATOM 1862 CA ASP C 17 4.858 -10.658 -7.954 1.00 0.00 C ATOM 1863 C ASP C 17 3.801 -9.621 -7.563 1.00 0.00 C ATOM 1864 O ASP C 17 2.643 -9.781 -7.940 1.00 0.00 O ATOM 1865 CB ASP C 17 4.427 -12.033 -7.439 1.00 0.00 C ATOM 1866 CG ASP C 17 5.349 -13.149 -7.923 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.305 -13.450 -9.138 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.090 -13.691 -7.074 1.00 0.00 O ATOM 0 H ASP C 17 6.176 -10.028 -6.464 1.00 0.00 H new ATOM 0 HA ASP C 17 4.932 -10.664 -9.041 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.414 -12.022 -6.349 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.408 -12.238 -7.768 1.00 0.00 H new ATOM 1873 N ILE C 18 4.161 -8.559 -6.826 1.00 0.00 N ATOM 1874 CA ILE C 18 3.164 -7.588 -6.385 1.00 0.00 C ATOM 1875 C ILE C 18 3.637 -6.156 -6.613 1.00 0.00 C ATOM 1876 O ILE C 18 4.830 -5.860 -6.537 1.00 0.00 O ATOM 1877 CB ILE C 18 2.817 -7.804 -4.902 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.355 -9.237 -4.611 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.699 -6.847 -4.480 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.529 -10.084 -4.127 1.00 0.00 C ATOM 0 H ILE C 18 5.116 -8.358 -6.531 1.00 0.00 H new ATOM 0 HA ILE C 18 2.267 -7.744 -6.984 1.00 0.00 H new ATOM 0 HB ILE C 18 3.730 -7.613 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.569 -9.227 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE C 18 1.926 -9.678 -5.511 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.460 -7.007 -3.429 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.027 -5.818 -4.625 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.812 -7.034 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.186 -11.099 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.301 -10.109 -4.896 1.00 0.00 H new ATOM 0 HD13 ILE C 18 3.939 -9.650 -3.215 1.00 0.00 H new ATOM 1892 N THR C 19 2.682 -5.265 -6.900 1.00 0.00 N ATOM 1893 CA THR C 19 2.914 -3.837 -7.054 1.00 0.00 C ATOM 1894 C THR C 19 1.729 -3.099 -6.432 1.00 0.00 C ATOM 1895 O THR C 19 0.630 -3.649 -6.350 1.00 0.00 O ATOM 1896 CB THR C 19 3.070 -3.501 -8.542 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.200 -4.171 -9.057 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.260 -2.005 -8.783 1.00 0.00 C ATOM 0 H THR C 19 1.706 -5.530 -7.033 1.00 0.00 H new ATOM 0 HA THR C 19 3.831 -3.529 -6.551 1.00 0.00 H new ATOM 0 HB THR C 19 2.154 -3.819 -9.040 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.301 -3.959 -10.008 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.366 -1.819 -9.852 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.394 -1.463 -8.404 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.156 -1.664 -8.265 1.00 0.00 H new ATOM 1906 N ILE C 20 1.951 -1.859 -5.994 1.00 0.00 N ATOM 1907 CA ILE C 20 0.950 -1.048 -5.314 1.00 0.00 C ATOM 1908 C ILE C 20 0.959 0.346 -5.929 1.00 0.00 C ATOM 1909 O ILE C 20 2.002 0.806 -6.390 1.00 0.00 O ATOM 1910 CB ILE C 20 1.296 -0.967 -3.819 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.413 -2.353 -3.171 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.268 -0.121 -3.066 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.080 -3.089 -3.090 1.00 0.00 C ATOM 0 H ILE C 20 2.848 -1.386 -6.105 1.00 0.00 H new ATOM 0 HA ILE C 20 -0.040 -1.491 -5.424 1.00 0.00 H new ATOM 0 HB ILE C 20 2.273 -0.488 -3.750 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.120 -2.956 -3.741 1.00 0.00 H new ATOM 0 HG13 ILE C 20 1.823 -2.245 -2.167 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.535 -0.079 -2.010 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.256 0.888 -3.478 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.720 -0.569 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.230 -4.062 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.623 -2.505 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.321 -3.227 -4.094 1.00 0.00 H new ATOM 1925 N THR C 21 -0.189 1.024 -5.942 1.00 0.00 N ATOM 1926 CA THR C 21 -0.302 2.346 -6.547 1.00 0.00 C ATOM 1927 C THR C 21 -1.301 3.203 -5.781 1.00 0.00 C ATOM 1928 O THR C 21 -2.427 2.775 -5.532 1.00 0.00 O ATOM 1929 CB THR C 21 -0.755 2.208 -8.006 1.00 0.00 C ATOM 1930 OG1 THR C 21 0.102 1.338 -8.705 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.751 3.558 -8.721 1.00 0.00 C ATOM 0 H THR C 21 -1.057 0.674 -5.537 1.00 0.00 H new ATOM 0 HA THR C 21 0.674 2.830 -6.510 1.00 0.00 H new ATOM 0 HB THR C 21 -1.770 1.810 -7.991 1.00 0.00 H new ATOM 0 HG1 THR C 21 0.944 1.798 -8.904 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.077 3.424 -9.752 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.430 4.242 -8.211 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.257 3.973 -8.710 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.890 4.415 -5.409 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.748 5.393 -4.758 1.00 0.00 C ATOM 1941 C ILE C 22 -2.549 6.096 -5.849 1.00 0.00 C ATOM 1942 O ILE C 22 -2.094 7.078 -6.429 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.888 6.338 -3.897 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.633 7.588 -3.418 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.374 6.810 -4.619 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.955 7.241 -2.750 1.00 0.00 C ATOM 0 H ILE C 22 0.064 4.746 -5.556 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.458 4.935 -4.069 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.625 5.725 -3.035 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -1.005 8.138 -2.717 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.817 8.248 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.941 7.473 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE C 22 0.987 5.948 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.095 7.347 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.450 8.156 -2.426 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.594 6.715 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.770 6.603 -1.886 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.756 5.593 -6.142 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.528 6.102 -7.268 1.00 0.00 C ATOM 1960 C LEU C 23 -5.031 7.517 -6.984 1.00 0.00 C ATOM 1961 O LEU C 23 -5.287 8.271 -7.919 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.708 5.180 -7.605 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.454 3.701 -7.311 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.735 2.922 -7.579 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.343 3.138 -8.191 1.00 0.00 C ATOM 0 H LEU C 23 -4.209 4.844 -5.618 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.864 6.130 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.582 5.506 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.951 5.292 -8.662 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.147 3.606 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.568 1.865 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.530 3.296 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.025 3.047 -8.622 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.190 2.085 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.624 3.237 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.420 3.689 -8.009 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.169 7.880 -5.701 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.552 9.230 -5.325 1.00 0.00 C ATOM 1979 C GLY C 24 -6.118 9.302 -3.913 1.00 0.00 C ATOM 1980 O GLY C 24 -6.088 8.319 -3.173 1.00 0.00 O ATOM 0 H GLY C 24 -5.019 7.250 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.684 9.885 -5.399 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.294 9.604 -6.030 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.642 10.470 -3.538 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.248 10.672 -2.227 1.00 0.00 C ATOM 1986 C VAL C 25 -8.577 11.414 -2.372 1.00 0.00 C ATOM 1987 O VAL C 25 -8.914 11.899 -3.451 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.311 11.418 -1.258 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.891 10.852 -1.307 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.269 12.921 -1.528 1.00 0.00 C ATOM 0 H VAL C 25 -6.657 11.298 -4.134 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.431 9.688 -1.795 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.725 11.264 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.256 11.401 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.909 9.799 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.494 10.952 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.595 13.400 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -5.913 13.099 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.269 13.339 -1.416 1.00 0.00 H new ATOM 2000 N SER C 26 -9.323 11.486 -1.269 1.00 0.00 N ATOM 2001 CA SER C 26 -10.619 12.143 -1.197 1.00 0.00 C ATOM 2002 C SER C 26 -10.736 12.810 0.169 1.00 0.00 C ATOM 2003 O SER C 26 -11.757 12.705 0.846 1.00 0.00 O ATOM 2004 CB SER C 26 -11.713 11.101 -1.409 1.00 0.00 C ATOM 2005 OG SER C 26 -11.948 10.901 -2.786 1.00 0.00 O ATOM 0 H SER C 26 -9.031 11.077 -0.381 1.00 0.00 H new ATOM 0 HA SER C 26 -10.725 12.904 -1.970 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.421 10.159 -0.944 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.632 11.426 -0.921 1.00 0.00 H new ATOM 0 HG SER C 26 -11.139 11.124 -3.292 1.00 0.00 H new ATOM 2011 N GLY C 27 -9.665 13.502 0.569 1.00 0.00 N ATOM 2012 CA GLY C 27 -9.553 14.087 1.891 1.00 0.00 C ATOM 2013 C GLY C 27 -8.586 13.253 2.714 1.00 0.00 C ATOM 2014 O GLY C 27 -7.593 12.743 2.191 1.00 0.00 O ATOM 0 H GLY C 27 -8.852 13.668 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.199 15.115 1.820 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -10.530 14.119 2.374 1.00 0.00 H new ATOM 2018 N GLN C 28 -8.870 13.112 4.009 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.088 12.249 4.880 1.00 0.00 C ATOM 2020 C GLN C 28 -8.379 10.770 4.615 1.00 0.00 C ATOM 2021 O GLN C 28 -7.850 9.906 5.315 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.306 12.645 6.339 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.068 13.391 6.854 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.808 14.683 6.076 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -6.033 14.605 4.996 1.00 0.00 O flip ATOM 2026 NE2 GLN C 28 -7.304 15.742 6.450 1.00 0.00 N flip ATOM 0 H GLN C 28 -9.641 13.589 4.475 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.030 12.387 4.657 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.189 13.278 6.428 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.488 11.758 6.945 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.200 13.625 7.910 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.196 12.741 6.778 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -7.893 15.763 7.283 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -7.127 16.600 5.928 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.215 10.471 3.611 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.369 9.112 3.120 1.00 0.00 C ATOM 2037 C GLN C 29 -8.522 8.966 1.862 1.00 0.00 C ATOM 2038 O GLN C 29 -8.241 9.945 1.177 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.837 8.764 2.870 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.476 9.604 1.771 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.825 9.019 1.362 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.121 8.905 0.175 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.658 8.642 2.328 1.00 0.00 N ATOM 0 H GLN C 29 -9.792 11.160 3.128 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.024 8.404 3.874 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.913 7.710 2.603 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.398 8.900 3.795 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.609 10.628 2.120 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.814 9.645 0.906 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -13.387 8.748 3.306 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.568 8.247 2.091 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.109 7.735 1.557 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.125 7.475 0.515 1.00 0.00 C ATOM 2054 C VAL C 30 -7.540 6.250 -0.294 1.00 0.00 C ATOM 2055 O VAL C 30 -8.170 5.340 0.241 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.758 7.260 1.182 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.677 6.932 0.151 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.318 8.518 1.933 1.00 0.00 C ATOM 0 H VAL C 30 -8.448 6.895 2.026 1.00 0.00 H new ATOM 0 HA VAL C 30 -7.061 8.321 -0.170 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.875 6.424 1.872 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.723 6.786 0.658 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.947 6.021 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.589 7.755 -0.558 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.348 8.344 2.398 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.241 9.351 1.234 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -6.051 8.757 2.703 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.180 6.225 -1.582 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.492 5.113 -2.467 1.00 0.00 C ATOM 2070 C ARG C 31 -6.242 4.585 -3.138 1.00 0.00 C ATOM 2071 O ARG C 31 -5.406 5.332 -3.645 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.530 5.521 -3.507 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.888 5.521 -2.814 1.00 0.00 C ATOM 2074 CD ARG C 31 -11.029 5.542 -3.824 1.00 0.00 C ATOM 2075 NE ARG C 31 -12.301 5.788 -3.137 1.00 0.00 N ATOM 2076 CZ ARG C 31 -12.710 7.001 -2.759 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -11.984 8.078 -3.051 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -13.847 7.151 -2.093 1.00 0.00 N ATOM 0 H ARG C 31 -6.664 6.979 -2.034 1.00 0.00 H new ATOM 0 HA ARG C 31 -7.914 4.312 -1.860 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -8.304 6.508 -3.909 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -8.527 4.826 -4.347 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -9.976 4.637 -2.182 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.964 6.389 -2.159 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.852 6.318 -4.569 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -11.072 4.592 -4.357 1.00 0.00 H new ATOM 0 HE ARG C 31 -12.905 4.990 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -11.109 7.979 -3.567 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -12.302 9.002 -2.759 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -14.416 6.336 -1.866 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -14.152 8.082 -1.808 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.148 3.258 -3.127 1.00 0.00 N ATOM 2093 CA ILE C 32 -4.942 2.528 -3.474 1.00 0.00 C ATOM 2094 C ILE C 32 -5.324 1.317 -4.310 1.00 0.00 C ATOM 2095 O ILE C 32 -6.381 0.723 -4.097 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.256 2.094 -2.165 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -3.994 3.299 -1.248 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -2.942 1.369 -2.466 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.527 2.868 0.142 1.00 0.00 C ATOM 0 H ILE C 32 -6.927 2.652 -2.871 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.257 3.147 -4.054 1.00 0.00 H new ATOM 0 HB ILE C 32 -4.929 1.411 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.240 3.942 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.905 3.891 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.470 1.069 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.144 0.485 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.275 2.036 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.353 3.751 0.757 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.293 2.247 0.607 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.601 2.299 0.055 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.467 0.949 -5.260 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.678 -0.203 -6.109 1.00 0.00 C ATOM 2113 C GLY C 33 -3.577 -1.222 -5.865 1.00 0.00 C ATOM 2114 O GLY C 33 -2.505 -0.887 -5.360 1.00 0.00 O ATOM 0 H GLY C 33 -3.602 1.452 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.652 -0.647 -5.902 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.682 0.100 -7.156 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.854 -2.475 -6.224 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.941 -3.579 -6.008 1.00 0.00 C ATOM 2120 C ILE C 34 -2.896 -4.391 -7.287 1.00 0.00 C ATOM 2121 O ILE C 34 -3.891 -4.490 -8.004 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.415 -4.420 -4.817 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.569 -3.540 -3.569 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.420 -5.548 -4.549 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.165 -4.308 -2.392 1.00 0.00 C ATOM 0 H ILE C 34 -4.727 -2.747 -6.676 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.938 -3.224 -5.770 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.386 -4.853 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.595 -3.142 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.206 -2.687 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.763 -6.142 -3.702 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.345 -6.184 -5.431 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.442 -5.124 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.255 -3.644 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.151 -4.684 -2.665 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.515 -5.145 -2.137 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.735 -4.970 -7.565 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.496 -5.692 -8.799 1.00 0.00 C ATOM 2139 C ASN C 35 -0.718 -6.954 -8.471 1.00 0.00 C ATOM 2140 O ASN C 35 0.511 -6.946 -8.423 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.743 -4.786 -9.774 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.554 -5.437 -11.140 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.116 -6.493 -11.424 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.247 -4.813 -11.997 1.00 0.00 N ATOM 0 H ASN C 35 -0.932 -4.950 -6.936 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.432 -5.981 -9.278 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.289 -3.850 -9.892 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.232 -4.536 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.411 -5.209 -12.923 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.698 -3.938 -11.729 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.456 -8.038 -8.243 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.891 -9.316 -7.859 1.00 0.00 C ATOM 2153 C ALA C 36 -1.637 -10.466 -8.528 1.00 0.00 C ATOM 2154 O ALA C 36 -2.802 -10.319 -8.905 1.00 0.00 O ATOM 2155 CB ALA C 36 -1.002 -9.460 -6.340 1.00 0.00 C ATOM 0 H ALA C 36 -2.473 -8.047 -8.322 1.00 0.00 H new ATOM 0 HA ALA C 36 0.151 -9.353 -8.176 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.581 -10.418 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.454 -8.651 -5.857 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -2.051 -9.414 -6.046 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.973 -11.615 -8.678 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.581 -12.844 -9.144 1.00 0.00 C ATOM 2163 C PRO C 37 -2.557 -13.401 -8.118 1.00 0.00 C ATOM 2164 O PRO C 37 -2.504 -13.055 -6.940 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.414 -13.817 -9.326 1.00 0.00 C ATOM 2166 CG PRO C 37 0.668 -13.297 -8.387 1.00 0.00 C ATOM 2167 CD PRO C 37 0.440 -11.796 -8.400 1.00 0.00 C ATOM 0 HA PRO C 37 -2.147 -12.684 -10.062 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.704 -14.836 -9.071 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.068 -13.833 -10.360 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.566 -13.712 -7.384 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.666 -13.557 -8.739 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.711 -11.351 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.054 -11.313 -9.161 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.453 -14.279 -8.573 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.339 -15.011 -7.682 1.00 0.00 C ATOM 2177 C LYS C 38 -3.545 -16.007 -6.842 1.00 0.00 C ATOM 2178 O LYS C 38 -4.109 -16.719 -6.013 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.433 -15.707 -8.495 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.307 -14.700 -9.249 1.00 0.00 C ATOM 2181 CD LYS C 38 -6.939 -13.687 -8.291 1.00 0.00 C ATOM 2182 CE LYS C 38 -7.936 -12.818 -9.038 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.079 -13.607 -9.539 1.00 0.00 N ATOM 0 H LYS C 38 -3.580 -14.497 -9.561 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.818 -14.313 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.976 -16.396 -9.206 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.057 -16.304 -7.829 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.704 -14.176 -9.991 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.091 -15.229 -9.791 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.439 -14.209 -7.475 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -6.164 -13.064 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.299 -12.030 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -7.437 -12.328 -9.874 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -9.891 -12.977 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -8.816 -14.071 -10.432 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.337 -14.330 -8.837 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.230 -16.047 -7.070 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.288 -16.825 -6.289 1.00 0.00 C ATOM 2199 C ASP C 39 -1.198 -16.268 -4.868 1.00 0.00 C ATOM 2200 O ASP C 39 -0.629 -16.915 -3.990 1.00 0.00 O ATOM 2201 CB ASP C 39 0.079 -16.738 -6.969 1.00 0.00 C ATOM 2202 CG ASP C 39 1.000 -17.875 -6.529 1.00 0.00 C ATOM 2203 OD1 ASP C 39 0.605 -19.047 -6.726 1.00 0.00 O ATOM 2204 OD2 ASP C 39 2.092 -17.568 -6.002 1.00 0.00 O ATOM 0 H ASP C 39 -1.788 -15.522 -7.825 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.616 -17.863 -6.231 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.050 -16.771 -8.051 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.543 -15.781 -6.732 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.755 -15.069 -4.646 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.723 -14.403 -3.354 1.00 0.00 C ATOM 2211 C VAL C 40 -3.074 -13.744 -3.069 1.00 0.00 C ATOM 2212 O VAL C 40 -3.868 -13.506 -3.978 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.592 -13.364 -3.317 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.723 -13.948 -3.839 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.915 -12.133 -4.166 1.00 0.00 C ATOM 0 H VAL C 40 -2.241 -14.538 -5.368 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.530 -15.145 -2.579 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.492 -13.076 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.501 -13.186 -3.799 1.00 0.00 H new ATOM 0 HG12 VAL C 40 1.015 -14.797 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.591 -14.277 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.088 -11.425 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.065 -12.435 -5.203 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.823 -11.660 -3.791 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.325 -13.452 -1.794 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.577 -12.857 -1.359 1.00 0.00 C ATOM 2227 C ALA C 41 -4.347 -11.401 -0.975 1.00 0.00 C ATOM 2228 O ALA C 41 -3.282 -11.067 -0.459 1.00 0.00 O ATOM 2229 CB ALA C 41 -5.093 -13.656 -0.167 1.00 0.00 C ATOM 0 H ALA C 41 -2.663 -13.623 -1.037 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.314 -12.881 -2.162 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -6.034 -13.228 0.178 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.254 -14.692 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.361 -13.620 0.639 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.334 -10.535 -1.220 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.233 -9.128 -0.848 1.00 0.00 C ATOM 2237 C VAL C 42 -6.599 -8.623 -0.396 1.00 0.00 C ATOM 2238 O VAL C 42 -7.581 -8.738 -1.125 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.687 -8.283 -2.015 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.271 -8.724 -2.385 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.540 -8.386 -3.280 1.00 0.00 C ATOM 0 H VAL C 42 -6.211 -10.787 -1.675 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.529 -9.030 -0.022 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.703 -7.253 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.904 -8.115 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.615 -8.600 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.283 -9.772 -2.685 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.103 -7.769 -4.065 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.575 -9.424 -3.612 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.551 -8.039 -3.066 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.673 -8.056 0.814 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.933 -7.547 1.346 1.00 0.00 C ATOM 2253 C HIS C 43 -7.681 -6.486 2.412 1.00 0.00 C ATOM 2254 O HIS C 43 -6.551 -6.300 2.859 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.750 -8.669 1.991 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.742 -9.991 1.268 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.714 -10.422 0.361 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.792 -10.965 1.401 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.325 -11.643 -0.028 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.174 -11.994 0.575 1.00 0.00 N ATOM 0 H HIS C 43 -5.875 -7.940 1.438 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.482 -7.119 0.507 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.376 -8.828 3.003 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.783 -8.333 2.082 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.545 -9.914 0.059 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.915 -10.932 2.031 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.862 -12.262 -0.731 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.744 -5.785 2.823 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.674 -4.883 3.966 1.00 0.00 C ATOM 2270 C ARG C 44 -8.629 -5.715 5.238 1.00 0.00 C ATOM 2271 O ARG C 44 -9.018 -6.881 5.224 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.901 -3.969 4.021 1.00 0.00 C ATOM 2273 CG ARG C 44 -10.124 -3.237 2.700 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.153 -2.119 2.866 1.00 0.00 C ATOM 2275 NE ARG C 44 -12.429 -2.605 3.413 1.00 0.00 N ATOM 2276 CZ ARG C 44 -13.358 -3.263 2.714 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -13.160 -3.570 1.433 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -14.496 -3.619 3.299 1.00 0.00 N ATOM 0 H ARG C 44 -9.661 -5.829 2.378 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.782 -4.264 3.870 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -10.784 -4.561 4.262 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -9.776 -3.241 4.823 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -9.181 -2.820 2.346 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -10.465 -3.942 1.942 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -10.748 -1.351 3.525 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.332 -1.647 1.900 1.00 0.00 H new ATOM 0 HE ARG C 44 -12.619 -2.426 4.399 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -12.290 -3.302 0.973 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -13.879 -4.073 0.912 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -14.659 -3.390 4.280 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -15.207 -4.121 2.768 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.166 -5.130 6.343 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.208 -5.808 7.631 1.00 0.00 C ATOM 2294 C GLU C 45 -9.622 -6.296 7.928 1.00 0.00 C ATOM 2295 O GLU C 45 -9.805 -7.330 8.565 1.00 0.00 O ATOM 2296 CB GLU C 45 -7.755 -4.834 8.724 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.235 -4.854 8.893 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.741 -6.117 9.605 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.585 -6.818 10.211 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -4.516 -6.373 9.541 1.00 0.00 O ATOM 0 H GLU C 45 -7.761 -4.194 6.369 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.542 -6.671 7.605 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.082 -3.825 8.473 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.231 -5.097 9.668 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -5.763 -4.785 7.913 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -5.924 -3.976 9.459 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.639 -5.567 7.465 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.023 -5.921 7.737 1.00 0.00 C ATOM 2309 C GLU C 46 -12.418 -7.243 7.084 1.00 0.00 C ATOM 2310 O GLU C 46 -13.239 -7.971 7.638 1.00 0.00 O ATOM 2311 CB GLU C 46 -12.913 -4.777 7.242 1.00 0.00 C ATOM 2312 CG GLU C 46 -14.389 -5.032 7.543 1.00 0.00 C ATOM 2313 CD GLU C 46 -15.240 -3.839 7.118 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -15.016 -3.345 5.991 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -16.106 -3.430 7.927 1.00 0.00 O ATOM 0 H GLU C 46 -10.524 -4.726 6.899 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.151 -6.063 8.810 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -12.602 -3.845 7.714 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -12.778 -4.651 6.168 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -14.723 -5.928 7.019 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -14.521 -5.218 8.609 1.00 0.00 H new ATOM 2322 N ILE C 47 -11.851 -7.569 5.916 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.135 -8.834 5.242 1.00 0.00 C ATOM 2324 C ILE C 47 -11.133 -9.886 5.707 1.00 0.00 C ATOM 2325 O ILE C 47 -11.483 -11.051 5.880 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.025 -8.656 3.720 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.275 -8.037 3.092 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.825 -10.006 3.020 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.593 -6.652 3.646 1.00 0.00 C ATOM 0 H ILE C 47 -11.191 -6.970 5.420 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.147 -9.154 5.488 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.172 -7.991 3.581 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.138 -7.968 2.013 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.126 -8.696 3.264 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.750 -9.850 1.944 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -10.909 -10.472 3.384 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.673 -10.656 3.235 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.490 -6.264 3.163 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -13.760 -6.720 4.721 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -12.756 -5.981 3.451 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.882 -9.464 5.908 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.792 -10.356 6.260 1.00 0.00 C ATOM 2343 C TYR C 48 -9.072 -11.102 7.564 1.00 0.00 C ATOM 2344 O TYR C 48 -8.640 -12.242 7.737 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.527 -9.515 6.392 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.309 -10.326 6.767 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.562 -10.981 5.779 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -5.939 -10.417 8.115 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.432 -11.732 6.138 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.819 -11.172 8.481 1.00 0.00 C ATOM 2351 CZ TYR C 48 -4.054 -11.826 7.492 1.00 0.00 C ATOM 2352 OH TYR C 48 -2.951 -12.547 7.848 1.00 0.00 O ATOM 0 H TYR C 48 -9.603 -8.486 5.829 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.676 -11.111 5.483 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.338 -9.004 5.448 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.688 -8.744 7.145 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.855 -10.908 4.742 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.517 -9.905 8.870 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.854 -12.237 5.378 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.540 -11.254 9.521 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.833 -12.506 8.820 1.00 0.00 H new