USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 753 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 52 SER OG : rot 35:sc= -3.48! USER MOD Set 1.2: A 97 TYR OH : rot 30:sc= -0.789 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 22 LYS NZ :NH3+ -151:sc= -0.427 (180deg=-1.66) USER MOD Set 3.1: A 11 ASN : amide:sc= -1.21 X(o=-1.8,f=-2.3) USER MOD Set 3.2: A 79 GLN : amide:sc= -0.589 X(o=-1.8,f=-2.3) USER MOD Set 4.1: A 4 LYS NZ :NH3+ -175:sc= -6.46! (180deg=-7.55!) USER MOD Set 4.2: A 5 SER OG : rot -102:sc= 1.56 USER MOD Set 4.3: A 41 SER OG : rot 130:sc= 0.0317 USER MOD Single : A 1 MET CE :methyl -168:sc= -8.79! (180deg=-9.81!) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.844! (180deg=-0.962!) USER MOD Single : A 6 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.071) USER MOD Single : A 7 THR OG1 : rot 72:sc= 0.0747 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.326 F(o=-1.3,f=-0.33) USER MOD Single : A 28 SER OG : rot 75:sc= -0.875! USER MOD Single : A 29 LYS NZ :NH3+ -117:sc= -1.21 (180deg=-3.46!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 34 CYS SG : rot 91:sc= -2.68! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -62:sc= 0.764 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 43 SER OG : rot 170:sc= -0.523 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 1:sc= 0.852 USER MOD Single : A 47 TYR OH : rot -91:sc= -5.95! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -68:sc= 0.926 USER MOD Single : A 72 SER OG : rot -38:sc= -1.49! USER MOD Single : A 73 MET CE :methyl -136:sc= -5.58! (180deg=-7.65!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= -0.572 (180deg=-0.715) USER MOD Single : A 85 LYS NZ :NH3+ -153:sc= -0.845 (180deg=-1.66!) USER MOD Single : A 86 ASN : amide:sc= -1.86! C(o=-1.9!,f=-3.3!) USER MOD Single : A 88 ASN :FLIP amide:sc= -2.64 F(o=-4.3,f=-2.6) USER MOD Single : A 91 THR OG1 : rot 170:sc= 0.147 USER MOD Single : A 93 LYS NZ :NH3+ 134:sc= -4.72! (180deg=-9.86!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.242 4.245 13.835 1.00 0.00 N ATOM 2 CA MET A 1 5.359 5.075 12.599 1.00 0.00 C ATOM 3 C MET A 1 5.119 6.541 12.892 1.00 0.00 C ATOM 4 O MET A 1 4.821 6.927 14.021 1.00 0.00 O ATOM 5 CB MET A 1 4.342 4.642 11.528 1.00 0.00 C ATOM 6 CG MET A 1 3.193 3.820 12.032 1.00 0.00 C ATOM 7 SD MET A 1 2.361 4.587 13.429 1.00 0.00 S ATOM 8 CE MET A 1 0.849 3.658 13.412 1.00 0.00 C ATOM 0 H1 MET A 1 5.742 3.344 13.696 1.00 0.00 H new ATOM 0 H2 MET A 1 5.664 4.755 14.637 1.00 0.00 H new ATOM 0 H3 MET A 1 4.239 4.057 14.033 1.00 0.00 H new ATOM 0 HA MET A 1 6.374 4.927 12.231 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.945 5.535 11.045 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.867 4.072 10.761 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.477 3.669 11.225 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.556 2.835 12.325 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.122 4.134 14.070 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.453 3.626 12.397 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.042 2.643 13.758 1.00 0.00 H new ATOM 20 N ASP A 2 5.196 7.342 11.843 1.00 0.00 N ATOM 21 CA ASP A 2 4.928 8.756 11.954 1.00 0.00 C ATOM 22 C ASP A 2 3.466 8.982 11.624 1.00 0.00 C ATOM 23 O ASP A 2 2.677 8.042 11.654 1.00 0.00 O ATOM 24 CB ASP A 2 5.839 9.569 11.035 1.00 0.00 C ATOM 25 CG ASP A 2 6.774 10.477 11.810 1.00 0.00 C ATOM 26 OD1 ASP A 2 7.467 9.977 12.720 1.00 0.00 O ATOM 27 OD2 ASP A 2 6.812 11.689 11.508 1.00 0.00 O ATOM 0 H ASP A 2 5.443 7.031 10.904 1.00 0.00 H new ATOM 0 HA ASP A 2 5.135 9.094 12.969 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.425 8.891 10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.229 10.170 10.361 1.00 0.00 H new ATOM 32 N ILE A 3 3.102 10.212 11.345 1.00 0.00 N ATOM 33 CA ILE A 3 1.720 10.544 11.051 1.00 0.00 C ATOM 34 C ILE A 3 1.279 10.146 9.652 1.00 0.00 C ATOM 35 O ILE A 3 0.234 9.520 9.480 1.00 0.00 O ATOM 36 CB ILE A 3 1.492 12.044 11.268 1.00 0.00 C ATOM 37 CG1 ILE A 3 1.224 12.328 12.750 1.00 0.00 C ATOM 38 CG2 ILE A 3 0.356 12.551 10.397 1.00 0.00 C ATOM 39 CD1 ILE A 3 1.780 11.269 13.686 1.00 0.00 C ATOM 0 H ILE A 3 3.743 11.005 11.314 1.00 0.00 H new ATOM 0 HA ILE A 3 1.107 9.961 11.739 1.00 0.00 H new ATOM 0 HB ILE A 3 2.395 12.580 10.974 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.658 13.294 13.010 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.148 12.410 12.906 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.214 13.618 10.569 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.599 12.382 9.348 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.561 12.018 10.648 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.551 11.539 14.717 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.328 10.305 13.454 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.861 11.203 13.559 1.00 0.00 H new ATOM 51 N LYS A 4 2.050 10.533 8.659 1.00 0.00 N ATOM 52 CA LYS A 4 1.686 10.225 7.280 1.00 0.00 C ATOM 53 C LYS A 4 1.565 8.723 7.076 1.00 0.00 C ATOM 54 O LYS A 4 0.706 8.248 6.334 1.00 0.00 O ATOM 55 CB LYS A 4 2.662 10.838 6.279 1.00 0.00 C ATOM 56 CG LYS A 4 4.032 10.200 6.275 1.00 0.00 C ATOM 57 CD LYS A 4 4.952 10.915 7.242 1.00 0.00 C ATOM 58 CE LYS A 4 5.844 9.961 8.010 1.00 0.00 C ATOM 59 NZ LYS A 4 5.159 8.709 8.424 1.00 0.00 N ATOM 0 H LYS A 4 2.920 11.053 8.770 1.00 0.00 H new ATOM 0 HA LYS A 4 0.712 10.677 7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.235 10.760 5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.769 11.900 6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.951 9.149 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.453 10.234 5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.572 11.623 6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.354 11.494 7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.706 9.707 7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.225 10.467 8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.800 8.142 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.304 8.944 8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.893 8.163 7.580 1.00 0.00 H new ATOM 73 N SER A 5 2.414 7.986 7.769 1.00 0.00 N ATOM 74 CA SER A 5 2.403 6.536 7.710 1.00 0.00 C ATOM 75 C SER A 5 1.393 5.981 8.701 1.00 0.00 C ATOM 76 O SER A 5 0.936 4.850 8.568 1.00 0.00 O ATOM 77 CB SER A 5 3.795 5.974 8.009 1.00 0.00 C ATOM 78 OG SER A 5 4.765 6.515 7.131 1.00 0.00 O ATOM 0 H SER A 5 3.128 8.374 8.386 1.00 0.00 H new ATOM 0 HA SER A 5 2.117 6.233 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.068 6.200 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.780 4.888 7.914 1.00 0.00 H new ATOM 0 HG SER A 5 4.973 5.862 6.430 1.00 0.00 H new ATOM 84 N GLN A 6 1.071 6.786 9.710 1.00 0.00 N ATOM 85 CA GLN A 6 0.137 6.385 10.752 1.00 0.00 C ATOM 86 C GLN A 6 -1.245 6.099 10.229 1.00 0.00 C ATOM 87 O GLN A 6 -1.821 5.061 10.526 1.00 0.00 O ATOM 88 CB GLN A 6 0.041 7.478 11.804 1.00 0.00 C ATOM 89 CG GLN A 6 0.340 6.994 13.197 1.00 0.00 C ATOM 90 CD GLN A 6 -0.326 7.846 14.253 1.00 0.00 C ATOM 91 OE1 GLN A 6 0.324 8.347 15.170 1.00 0.00 O ATOM 92 NE2 GLN A 6 -1.635 8.010 14.124 1.00 0.00 N ATOM 0 H GLN A 6 1.448 7.727 9.826 1.00 0.00 H new ATOM 0 HA GLN A 6 0.527 5.461 11.178 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.734 8.279 11.549 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.962 7.905 11.783 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.005 5.962 13.301 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.418 6.997 13.357 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.129 7.574 13.346 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.148 8.572 14.803 1.00 0.00 H new ATOM 101 N THR A 7 -1.791 7.029 9.484 1.00 0.00 N ATOM 102 CA THR A 7 -3.124 6.855 8.960 1.00 0.00 C ATOM 103 C THR A 7 -3.104 5.917 7.782 1.00 0.00 C ATOM 104 O THR A 7 -4.045 5.153 7.571 1.00 0.00 O ATOM 105 CB THR A 7 -3.764 8.186 8.600 1.00 0.00 C ATOM 106 OG1 THR A 7 -2.835 9.250 8.723 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.941 8.486 9.489 1.00 0.00 C ATOM 0 H THR A 7 -1.338 7.907 9.228 1.00 0.00 H new ATOM 0 HA THR A 7 -3.739 6.410 9.742 1.00 0.00 H new ATOM 0 HB THR A 7 -4.097 8.102 7.566 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.180 9.198 7.996 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.376 9.444 9.206 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.689 7.701 9.379 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.611 8.530 10.527 1.00 0.00 H new ATOM 115 N LEU A 8 -2.009 5.936 7.037 1.00 0.00 N ATOM 116 CA LEU A 8 -1.882 5.032 5.922 1.00 0.00 C ATOM 117 C LEU A 8 -1.744 3.628 6.481 1.00 0.00 C ATOM 118 O LEU A 8 -2.337 2.679 5.965 1.00 0.00 O ATOM 119 CB LEU A 8 -0.697 5.416 5.016 1.00 0.00 C ATOM 120 CG LEU A 8 0.580 4.585 5.183 1.00 0.00 C ATOM 121 CD1 LEU A 8 0.409 3.205 4.562 1.00 0.00 C ATOM 122 CD2 LEU A 8 1.763 5.306 4.554 1.00 0.00 C ATOM 0 H LEU A 8 -1.214 6.557 7.186 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.767 5.088 5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.021 5.341 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.451 6.462 5.198 1.00 0.00 H new ATOM 0 HG LEU A 8 0.772 4.459 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.327 2.631 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.415 2.686 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.193 3.309 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.664 4.705 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.573 5.458 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.901 6.272 5.040 1.00 0.00 H new ATOM 134 N TYR A 9 -1.004 3.512 7.583 1.00 0.00 N ATOM 135 CA TYR A 9 -0.855 2.235 8.243 1.00 0.00 C ATOM 136 C TYR A 9 -2.172 1.892 8.917 1.00 0.00 C ATOM 137 O TYR A 9 -2.785 0.868 8.633 1.00 0.00 O ATOM 138 CB TYR A 9 0.285 2.288 9.247 1.00 0.00 C ATOM 139 CG TYR A 9 0.211 1.262 10.354 1.00 0.00 C ATOM 140 CD1 TYR A 9 -0.594 0.126 10.282 1.00 0.00 C ATOM 141 CD2 TYR A 9 0.955 1.459 11.491 1.00 0.00 C ATOM 142 CE1 TYR A 9 -0.636 -0.771 11.333 1.00 0.00 C ATOM 143 CE2 TYR A 9 0.922 0.578 12.534 1.00 0.00 C ATOM 144 CZ TYR A 9 0.124 -0.540 12.459 1.00 0.00 C ATOM 145 OH TYR A 9 0.085 -1.430 13.507 1.00 0.00 O ATOM 0 H TYR A 9 -0.507 4.284 8.027 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.608 1.459 7.518 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.226 2.156 8.713 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.309 3.282 9.694 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.189 -0.054 9.399 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.583 2.334 11.562 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.262 -1.649 11.272 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.520 0.758 13.415 1.00 0.00 H new ATOM 0 HH TYR A 9 0.679 -1.120 14.222 1.00 0.00 H new ATOM 155 N LEU A 10 -2.610 2.770 9.807 1.00 0.00 N ATOM 156 CA LEU A 10 -3.863 2.567 10.512 1.00 0.00 C ATOM 157 C LEU A 10 -4.959 2.234 9.520 1.00 0.00 C ATOM 158 O LEU A 10 -5.849 1.436 9.809 1.00 0.00 O ATOM 159 CB LEU A 10 -4.241 3.814 11.311 1.00 0.00 C ATOM 160 CG LEU A 10 -3.592 3.920 12.690 1.00 0.00 C ATOM 161 CD1 LEU A 10 -4.069 5.172 13.408 1.00 0.00 C ATOM 162 CD2 LEU A 10 -3.898 2.680 13.517 1.00 0.00 C ATOM 0 H LEU A 10 -2.117 3.627 10.056 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.742 1.737 11.208 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.970 4.695 10.730 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.324 3.834 11.433 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.512 3.990 12.560 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.597 5.231 14.389 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.801 6.052 12.822 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.152 5.132 13.529 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.429 2.771 14.497 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.977 2.581 13.639 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.508 1.798 13.008 1.00 0.00 H new ATOM 174 N ASN A 11 -4.867 2.818 8.332 1.00 0.00 N ATOM 175 CA ASN A 11 -5.837 2.543 7.292 1.00 0.00 C ATOM 176 C ASN A 11 -5.728 1.079 6.892 1.00 0.00 C ATOM 177 O ASN A 11 -6.728 0.424 6.600 1.00 0.00 O ATOM 178 CB ASN A 11 -5.610 3.447 6.078 1.00 0.00 C ATOM 179 CG ASN A 11 -6.371 4.754 6.181 1.00 0.00 C ATOM 180 OD1 ASN A 11 -6.838 5.132 7.255 1.00 0.00 O ATOM 181 ND2 ASN A 11 -6.498 5.453 5.058 1.00 0.00 N ATOM 0 H ASN A 11 -4.135 3.479 8.071 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.838 2.747 7.672 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.545 3.657 5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.917 2.921 5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.999 6.341 5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.094 5.101 4.190 1.00 0.00 H new ATOM 188 N LEU A 12 -4.498 0.562 6.912 1.00 0.00 N ATOM 189 CA LEU A 12 -4.256 -0.834 6.583 1.00 0.00 C ATOM 190 C LEU A 12 -4.962 -1.722 7.588 1.00 0.00 C ATOM 191 O LEU A 12 -5.700 -2.632 7.221 1.00 0.00 O ATOM 192 CB LEU A 12 -2.757 -1.154 6.559 1.00 0.00 C ATOM 193 CG LEU A 12 -2.009 -0.699 5.304 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.556 -0.382 5.631 1.00 0.00 C ATOM 195 CD2 LEU A 12 -2.091 -1.761 4.216 1.00 0.00 C ATOM 0 H LEU A 12 -3.660 1.091 7.152 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.651 -1.023 5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.290 -0.691 7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.631 -2.231 6.666 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.484 0.209 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.041 -0.060 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.516 0.415 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.070 -1.273 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.553 -1.419 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.643 -2.687 4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.135 -1.939 3.959 1.00 0.00 H new ATOM 207 N SER A 13 -4.745 -1.439 8.861 1.00 0.00 N ATOM 208 CA SER A 13 -5.375 -2.203 9.919 1.00 0.00 C ATOM 209 C SER A 13 -6.883 -2.081 9.828 1.00 0.00 C ATOM 210 O SER A 13 -7.610 -3.063 9.971 1.00 0.00 O ATOM 211 CB SER A 13 -4.893 -1.707 11.281 1.00 0.00 C ATOM 212 OG SER A 13 -5.418 -2.500 12.331 1.00 0.00 O ATOM 0 H SER A 13 -4.138 -0.686 9.185 1.00 0.00 H new ATOM 0 HA SER A 13 -5.100 -3.252 9.805 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.804 -1.730 11.314 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.195 -0.669 11.420 1.00 0.00 H new ATOM 0 HG SER A 13 -5.092 -2.161 13.191 1.00 0.00 H new ATOM 218 N GLU A 14 -7.342 -0.869 9.580 1.00 0.00 N ATOM 219 CA GLU A 14 -8.766 -0.604 9.464 1.00 0.00 C ATOM 220 C GLU A 14 -9.390 -1.439 8.361 1.00 0.00 C ATOM 221 O GLU A 14 -10.500 -1.952 8.503 1.00 0.00 O ATOM 222 CB GLU A 14 -9.027 0.870 9.181 1.00 0.00 C ATOM 223 CG GLU A 14 -8.435 1.808 10.216 1.00 0.00 C ATOM 224 CD GLU A 14 -9.496 2.563 10.995 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.513 2.955 10.387 1.00 0.00 O ATOM 226 OE2 GLU A 14 -9.307 2.762 12.214 1.00 0.00 O ATOM 0 H GLU A 14 -6.748 -0.049 9.454 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.221 -0.873 10.417 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.618 1.120 8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.103 1.035 9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.819 1.235 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.777 2.522 9.720 1.00 0.00 H new ATOM 233 N ALA A 15 -8.665 -1.571 7.265 1.00 0.00 N ATOM 234 CA ALA A 15 -9.138 -2.346 6.129 1.00 0.00 C ATOM 235 C ALA A 15 -8.979 -3.810 6.374 1.00 0.00 C ATOM 236 O ALA A 15 -9.889 -4.591 6.149 1.00 0.00 O ATOM 237 CB ALA A 15 -8.403 -1.995 4.876 1.00 0.00 C ATOM 0 H ALA A 15 -7.744 -1.151 7.136 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.193 -2.103 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.785 -2.595 4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.547 -0.938 4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.340 -2.196 5.009 1.00 0.00 H new ATOM 243 N TYR A 16 -7.797 -4.174 6.830 1.00 0.00 N ATOM 244 CA TYR A 16 -7.484 -5.553 7.115 1.00 0.00 C ATOM 245 C TYR A 16 -8.637 -6.204 7.875 1.00 0.00 C ATOM 246 O TYR A 16 -8.884 -7.402 7.745 1.00 0.00 O ATOM 247 CB TYR A 16 -6.182 -5.597 7.897 1.00 0.00 C ATOM 248 CG TYR A 16 -6.174 -6.642 8.948 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.819 -7.929 8.634 1.00 0.00 C ATOM 250 CD2 TYR A 16 -6.539 -6.337 10.236 1.00 0.00 C ATOM 251 CE1 TYR A 16 -5.817 -8.920 9.579 1.00 0.00 C ATOM 252 CE2 TYR A 16 -6.547 -7.317 11.214 1.00 0.00 C ATOM 253 CZ TYR A 16 -6.183 -8.614 10.879 1.00 0.00 C ATOM 254 OH TYR A 16 -6.187 -9.600 11.840 1.00 0.00 O ATOM 0 H TYR A 16 -7.033 -3.523 7.011 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.354 -6.119 6.193 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.356 -5.776 7.208 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.008 -4.625 8.358 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.535 -8.166 7.619 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.822 -5.326 10.488 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.533 -9.928 9.314 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.833 -7.075 12.227 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.467 -9.219 12.698 1.00 0.00 H new ATOM 264 N LYS A 17 -9.365 -5.389 8.633 1.00 0.00 N ATOM 265 CA LYS A 17 -10.523 -5.863 9.373 1.00 0.00 C ATOM 266 C LYS A 17 -11.689 -6.125 8.417 1.00 0.00 C ATOM 267 O LYS A 17 -12.741 -6.615 8.830 1.00 0.00 O ATOM 268 CB LYS A 17 -10.951 -4.839 10.426 1.00 0.00 C ATOM 269 CG LYS A 17 -9.819 -4.352 11.312 1.00 0.00 C ATOM 270 CD LYS A 17 -10.000 -2.890 11.691 1.00 0.00 C ATOM 271 CE LYS A 17 -8.819 -2.371 12.498 1.00 0.00 C ATOM 272 NZ LYS A 17 -9.259 -1.665 13.733 1.00 0.00 N ATOM 0 H LYS A 17 -9.170 -4.395 8.749 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.247 -6.791 9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.399 -3.982 9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.725 -5.281 11.054 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.774 -4.961 12.215 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.869 -4.480 10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.116 -2.291 10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.916 -2.774 12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.169 -3.204 12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.229 -1.692 11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.426 -1.327 14.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.858 -0.855 13.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.801 -2.320 14.333 1.00 0.00 H new ATOM 286 N ASP A 18 -11.499 -5.795 7.136 1.00 0.00 N ATOM 287 CA ASP A 18 -12.533 -5.994 6.134 1.00 0.00 C ATOM 288 C ASP A 18 -12.958 -7.460 6.093 1.00 0.00 C ATOM 289 O ASP A 18 -12.148 -8.327 5.777 1.00 0.00 O ATOM 290 CB ASP A 18 -12.058 -5.567 4.750 1.00 0.00 C ATOM 291 CG ASP A 18 -12.679 -4.256 4.321 1.00 0.00 C ATOM 292 OD1 ASP A 18 -12.434 -3.234 4.995 1.00 0.00 O ATOM 293 OD2 ASP A 18 -13.414 -4.249 3.310 1.00 0.00 O ATOM 0 H ASP A 18 -10.636 -5.389 6.775 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.384 -5.373 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.972 -5.471 4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.308 -6.342 4.025 1.00 0.00 H new ATOM 298 N PRO A 19 -14.223 -7.763 6.416 1.00 0.00 N ATOM 299 CA PRO A 19 -14.729 -9.141 6.418 1.00 0.00 C ATOM 300 C PRO A 19 -14.356 -9.924 5.161 1.00 0.00 C ATOM 301 O PRO A 19 -14.244 -11.150 5.201 1.00 0.00 O ATOM 302 CB PRO A 19 -16.235 -8.951 6.512 1.00 0.00 C ATOM 303 CG PRO A 19 -16.388 -7.687 7.277 1.00 0.00 C ATOM 304 CD PRO A 19 -15.265 -6.798 6.818 1.00 0.00 C ATOM 0 HA PRO A 19 -14.301 -9.728 7.231 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.691 -8.878 5.525 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.712 -9.787 7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.357 -7.226 7.083 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.330 -7.869 8.350 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.568 -6.161 5.987 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.920 -6.139 7.615 1.00 0.00 H new ATOM 312 N GLU A 20 -14.154 -9.222 4.046 1.00 0.00 N ATOM 313 CA GLU A 20 -13.782 -9.884 2.802 1.00 0.00 C ATOM 314 C GLU A 20 -12.278 -9.847 2.591 1.00 0.00 C ATOM 315 O GLU A 20 -11.763 -10.149 1.514 1.00 0.00 O ATOM 316 CB GLU A 20 -14.483 -9.223 1.642 1.00 0.00 C ATOM 317 CG GLU A 20 -15.960 -9.532 1.617 1.00 0.00 C ATOM 318 CD GLU A 20 -16.487 -9.779 0.217 1.00 0.00 C ATOM 319 OE1 GLU A 20 -16.299 -10.902 -0.299 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.087 -8.851 -0.365 1.00 0.00 O ATOM 0 H GLU A 20 -14.241 -8.208 3.981 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.089 -10.928 2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.340 -8.144 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.028 -9.554 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.153 -10.411 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.507 -8.703 2.065 1.00 0.00 H new ATOM 327 N VAL A 21 -11.601 -9.550 3.672 1.00 0.00 N ATOM 328 CA VAL A 21 -10.157 -9.537 3.741 1.00 0.00 C ATOM 329 C VAL A 21 -9.775 -10.566 4.792 1.00 0.00 C ATOM 330 O VAL A 21 -8.807 -11.311 4.643 1.00 0.00 O ATOM 331 CB VAL A 21 -9.599 -8.148 4.099 1.00 0.00 C ATOM 332 CG1 VAL A 21 -8.094 -8.207 4.328 1.00 0.00 C ATOM 333 CG2 VAL A 21 -9.938 -7.149 2.998 1.00 0.00 C ATOM 0 H VAL A 21 -12.050 -9.303 4.554 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.730 -9.777 2.768 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.064 -7.818 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.725 -7.213 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.877 -8.892 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.601 -8.558 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.539 -6.169 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.497 -7.480 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.020 -7.082 2.888 1.00 0.00 H new ATOM 343 N LYS A 22 -10.619 -10.640 5.830 1.00 0.00 N ATOM 344 CA LYS A 22 -10.470 -11.615 6.887 1.00 0.00 C ATOM 345 C LYS A 22 -10.508 -12.993 6.263 1.00 0.00 C ATOM 346 O LYS A 22 -9.754 -13.892 6.636 1.00 0.00 O ATOM 347 CB LYS A 22 -11.633 -11.499 7.880 1.00 0.00 C ATOM 348 CG LYS A 22 -12.032 -10.079 8.219 1.00 0.00 C ATOM 349 CD LYS A 22 -10.839 -9.229 8.610 1.00 0.00 C ATOM 350 CE LYS A 22 -9.977 -9.907 9.664 1.00 0.00 C ATOM 351 NZ LYS A 22 -9.185 -8.923 10.452 1.00 0.00 N ATOM 0 H LYS A 22 -11.420 -10.020 5.949 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.530 -11.445 7.413 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.499 -12.017 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.361 -12.016 8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.532 -9.629 7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.752 -10.091 9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.236 -9.023 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.187 -8.268 8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.612 -10.483 10.337 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.301 -10.613 9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.305 -9.369 10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.956 -8.103 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.740 -8.608 11.273 1.00 0.00 H new ATOM 365 N ALA A 23 -11.398 -13.131 5.283 1.00 0.00 N ATOM 366 CA ALA A 23 -11.551 -14.379 4.564 1.00 0.00 C ATOM 367 C ALA A 23 -10.313 -14.641 3.730 1.00 0.00 C ATOM 368 O ALA A 23 -9.975 -15.787 3.430 1.00 0.00 O ATOM 369 CB ALA A 23 -12.794 -14.343 3.686 1.00 0.00 C ATOM 0 H ALA A 23 -12.023 -12.387 4.973 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.672 -15.190 5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.891 -15.289 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.675 -14.184 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.707 -13.529 2.966 1.00 0.00 H new ATOM 375 N ASN A 24 -9.631 -13.561 3.369 1.00 0.00 N ATOM 376 CA ASN A 24 -8.423 -13.650 2.586 1.00 0.00 C ATOM 377 C ASN A 24 -7.197 -13.498 3.478 1.00 0.00 C ATOM 378 O ASN A 24 -6.573 -12.438 3.524 1.00 0.00 O ATOM 379 CB ASN A 24 -8.419 -12.592 1.484 1.00 0.00 C ATOM 380 CG ASN A 24 -9.527 -12.804 0.472 1.00 0.00 C ATOM 381 OD1 ASN A 24 -10.766 -12.585 0.895 1.00 0.00 O flip ATOM 382 ND2 ASN A 24 -9.271 -13.158 -0.680 1.00 0.00 N flip ATOM 0 H ASN A 24 -9.904 -12.609 3.613 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.388 -14.634 2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.525 -11.604 1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.456 -12.608 0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.303 -13.315 -0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.027 -13.294 -1.352 1.00 0.00 H new ATOM 389 N GLU A 25 -6.866 -14.570 4.193 1.00 0.00 N ATOM 390 CA GLU A 25 -5.722 -14.573 5.101 1.00 0.00 C ATOM 391 C GLU A 25 -4.488 -13.962 4.449 1.00 0.00 C ATOM 392 O GLU A 25 -3.630 -13.409 5.129 1.00 0.00 O ATOM 393 CB GLU A 25 -5.416 -16.001 5.563 1.00 0.00 C ATOM 394 CG GLU A 25 -4.124 -16.125 6.358 1.00 0.00 C ATOM 395 CD GLU A 25 -4.157 -15.334 7.651 1.00 0.00 C ATOM 396 OE1 GLU A 25 -5.266 -14.974 8.100 1.00 0.00 O ATOM 397 OE2 GLU A 25 -3.074 -15.073 8.215 1.00 0.00 O ATOM 0 H GLU A 25 -7.377 -15.452 4.161 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.984 -13.962 5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.244 -16.361 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.358 -16.651 4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.940 -17.175 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.291 -15.780 5.746 1.00 0.00 H new ATOM 404 N PHE A 26 -4.402 -14.071 3.134 1.00 0.00 N ATOM 405 CA PHE A 26 -3.264 -13.535 2.406 1.00 0.00 C ATOM 406 C PHE A 26 -3.390 -12.028 2.215 1.00 0.00 C ATOM 407 O PHE A 26 -2.398 -11.302 2.265 1.00 0.00 O ATOM 408 CB PHE A 26 -3.124 -14.225 1.049 1.00 0.00 C ATOM 409 CG PHE A 26 -1.862 -13.863 0.318 1.00 0.00 C ATOM 410 CD1 PHE A 26 -1.796 -12.712 -0.449 1.00 0.00 C ATOM 411 CD2 PHE A 26 -0.743 -14.677 0.396 1.00 0.00 C ATOM 412 CE1 PHE A 26 -0.637 -12.377 -1.124 1.00 0.00 C ATOM 413 CE2 PHE A 26 0.419 -14.348 -0.276 1.00 0.00 C ATOM 414 CZ PHE A 26 0.471 -13.196 -1.037 1.00 0.00 C ATOM 0 H PHE A 26 -5.104 -14.524 2.550 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.370 -13.730 2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.152 -15.305 1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.981 -13.965 0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.660 -12.068 -0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.779 -15.579 0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.598 -11.476 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.285 -14.990 -0.206 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.378 -12.936 -1.563 1.00 0.00 H new ATOM 424 N LEU A 27 -4.614 -11.562 1.993 1.00 0.00 N ATOM 425 CA LEU A 27 -4.858 -10.141 1.792 1.00 0.00 C ATOM 426 C LEU A 27 -4.714 -9.367 3.092 1.00 0.00 C ATOM 427 O LEU A 27 -4.051 -8.331 3.132 1.00 0.00 O ATOM 428 CB LEU A 27 -6.252 -9.913 1.212 1.00 0.00 C ATOM 429 CG LEU A 27 -6.281 -9.574 -0.273 1.00 0.00 C ATOM 430 CD1 LEU A 27 -7.643 -9.906 -0.866 1.00 0.00 C ATOM 431 CD2 LEU A 27 -5.944 -8.107 -0.484 1.00 0.00 C ATOM 0 H LEU A 27 -5.449 -12.146 1.948 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.111 -9.776 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.849 -10.810 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.732 -9.105 1.764 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.530 -10.176 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.648 -9.658 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.845 -10.970 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.413 -9.328 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.968 -7.878 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.674 -7.487 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.948 -7.902 -0.091 1.00 0.00 H new ATOM 443 N SER A 28 -5.340 -9.861 4.156 1.00 0.00 N ATOM 444 CA SER A 28 -5.273 -9.196 5.432 1.00 0.00 C ATOM 445 C SER A 28 -3.873 -9.296 6.017 1.00 0.00 C ATOM 446 O SER A 28 -3.320 -8.305 6.482 1.00 0.00 O ATOM 447 CB SER A 28 -6.335 -9.779 6.364 1.00 0.00 C ATOM 448 OG SER A 28 -5.751 -10.540 7.405 1.00 0.00 O ATOM 0 H SER A 28 -5.895 -10.717 4.150 1.00 0.00 H new ATOM 0 HA SER A 28 -5.483 -8.134 5.305 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.928 -8.971 6.792 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.018 -10.407 5.792 1.00 0.00 H new ATOM 0 HG SER A 28 -5.350 -9.937 8.065 1.00 0.00 H new ATOM 454 N LYS A 29 -3.294 -10.485 5.964 1.00 0.00 N ATOM 455 CA LYS A 29 -1.940 -10.696 6.477 1.00 0.00 C ATOM 456 C LYS A 29 -0.963 -9.700 5.862 1.00 0.00 C ATOM 457 O LYS A 29 -0.130 -9.127 6.562 1.00 0.00 O ATOM 458 CB LYS A 29 -1.470 -12.132 6.229 1.00 0.00 C ATOM 459 CG LYS A 29 -1.040 -12.421 4.799 1.00 0.00 C ATOM 460 CD LYS A 29 -0.388 -13.799 4.659 1.00 0.00 C ATOM 461 CE LYS A 29 -0.745 -14.738 5.806 1.00 0.00 C ATOM 462 NZ LYS A 29 0.151 -14.549 6.982 1.00 0.00 N ATOM 0 H LYS A 29 -3.734 -11.318 5.574 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.966 -10.531 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.635 -12.347 6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.276 -12.815 6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.908 -12.363 4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.339 -11.654 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.699 -14.249 3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.695 -13.681 4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.779 -14.567 6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.680 -15.771 5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.687 -15.424 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.813 -13.769 6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.420 -14.322 7.821 1.00 0.00 H new ATOM 476 N LEU A 30 -1.077 -9.480 4.555 1.00 0.00 N ATOM 477 CA LEU A 30 -0.203 -8.531 3.885 1.00 0.00 C ATOM 478 C LEU A 30 -0.500 -7.130 4.390 1.00 0.00 C ATOM 479 O LEU A 30 0.410 -6.350 4.668 1.00 0.00 O ATOM 480 CB LEU A 30 -0.374 -8.604 2.361 1.00 0.00 C ATOM 481 CG LEU A 30 0.646 -9.475 1.606 1.00 0.00 C ATOM 482 CD1 LEU A 30 1.024 -8.817 0.288 1.00 0.00 C ATOM 483 CD2 LEU A 30 1.896 -9.733 2.444 1.00 0.00 C ATOM 0 H LEU A 30 -1.756 -9.940 3.949 1.00 0.00 H new ATOM 0 HA LEU A 30 0.833 -8.784 4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.374 -8.982 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.323 -7.591 1.961 1.00 0.00 H new ATOM 0 HG LEU A 30 0.176 -10.438 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.746 -9.442 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.133 -8.697 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.465 -7.839 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.593 -10.351 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.371 -8.783 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.618 -10.249 3.363 1.00 0.00 H new ATOM 495 N VAL A 31 -1.781 -6.837 4.553 1.00 0.00 N ATOM 496 CA VAL A 31 -2.208 -5.551 5.076 1.00 0.00 C ATOM 497 C VAL A 31 -1.717 -5.417 6.510 1.00 0.00 C ATOM 498 O VAL A 31 -1.412 -4.324 6.979 1.00 0.00 O ATOM 499 CB VAL A 31 -3.740 -5.426 5.045 1.00 0.00 C ATOM 500 CG1 VAL A 31 -4.188 -4.071 5.562 1.00 0.00 C ATOM 501 CG2 VAL A 31 -4.268 -5.670 3.640 1.00 0.00 C ATOM 0 H VAL A 31 -2.544 -7.476 4.329 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.788 -4.760 4.455 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.155 -6.188 5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.276 -4.010 5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.849 -3.943 6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.762 -3.285 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.354 -5.577 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.840 -4.936 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.989 -6.672 3.315 1.00 0.00 H new ATOM 511 N VAL A 32 -1.627 -6.564 7.183 1.00 0.00 N ATOM 512 CA VAL A 32 -1.155 -6.635 8.556 1.00 0.00 C ATOM 513 C VAL A 32 0.337 -6.369 8.608 1.00 0.00 C ATOM 514 O VAL A 32 0.784 -5.356 9.145 1.00 0.00 O ATOM 515 CB VAL A 32 -1.448 -8.019 9.159 1.00 0.00 C ATOM 516 CG1 VAL A 32 -0.998 -8.088 10.609 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.926 -8.355 9.024 1.00 0.00 C ATOM 0 H VAL A 32 -1.881 -7.469 6.786 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.681 -5.877 9.137 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.879 -8.764 8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.217 -9.077 11.011 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.074 -7.902 10.666 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.528 -7.334 11.191 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.117 -9.338 9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.519 -7.607 9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.203 -8.362 7.970 1.00 0.00 H new ATOM 527 N GLN A 33 1.100 -7.278 8.019 1.00 0.00 N ATOM 528 CA GLN A 33 2.546 -7.140 7.964 1.00 0.00 C ATOM 529 C GLN A 33 2.898 -5.742 7.509 1.00 0.00 C ATOM 530 O GLN A 33 3.648 -5.026 8.167 1.00 0.00 O ATOM 531 CB GLN A 33 3.152 -8.171 7.012 1.00 0.00 C ATOM 532 CG GLN A 33 4.275 -8.966 7.640 1.00 0.00 C ATOM 533 CD GLN A 33 4.816 -10.042 6.719 1.00 0.00 C ATOM 534 OE1 GLN A 33 4.934 -9.840 5.511 1.00 0.00 O ATOM 535 NE2 GLN A 33 5.147 -11.196 7.287 1.00 0.00 N ATOM 0 H GLN A 33 0.740 -8.121 7.572 1.00 0.00 H new ATOM 0 HA GLN A 33 2.956 -7.314 8.959 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.371 -8.855 6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.527 -7.662 6.124 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.084 -8.289 7.916 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.917 -9.427 8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.033 -11.321 8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.515 -11.958 6.717 1.00 0.00 H new ATOM 544 N CYS A 34 2.301 -5.349 6.396 1.00 0.00 N ATOM 545 CA CYS A 34 2.504 -4.014 5.860 1.00 0.00 C ATOM 546 C CYS A 34 2.226 -3.006 6.966 1.00 0.00 C ATOM 547 O CYS A 34 2.960 -2.035 7.159 1.00 0.00 O ATOM 548 CB CYS A 34 1.565 -3.766 4.675 1.00 0.00 C ATOM 549 SG CYS A 34 2.089 -4.563 3.138 1.00 0.00 S ATOM 0 H CYS A 34 1.672 -5.935 5.847 1.00 0.00 H new ATOM 0 HA CYS A 34 3.530 -3.910 5.507 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.568 -4.122 4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.486 -2.692 4.506 1.00 0.00 H new ATOM 0 HG CYS A 34 1.554 -5.745 3.058 1.00 0.00 H new ATOM 555 N ALA A 35 1.163 -3.280 7.713 1.00 0.00 N ATOM 556 CA ALA A 35 0.766 -2.443 8.827 1.00 0.00 C ATOM 557 C ALA A 35 1.855 -2.416 9.889 1.00 0.00 C ATOM 558 O ALA A 35 2.102 -1.392 10.523 1.00 0.00 O ATOM 559 CB ALA A 35 -0.542 -2.954 9.408 1.00 0.00 C ATOM 0 H ALA A 35 0.557 -4.086 7.560 1.00 0.00 H new ATOM 0 HA ALA A 35 0.619 -1.423 8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.839 -2.323 10.246 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.316 -2.927 8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.410 -3.979 9.754 1.00 0.00 H new ATOM 565 N GLY A 36 2.509 -3.554 10.062 1.00 0.00 N ATOM 566 CA GLY A 36 3.579 -3.659 11.035 1.00 0.00 C ATOM 567 C GLY A 36 4.876 -3.072 10.516 1.00 0.00 C ATOM 568 O GLY A 36 5.684 -2.554 11.289 1.00 0.00 O ATOM 0 H GLY A 36 2.318 -4.411 9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.288 -3.144 11.951 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.733 -4.707 11.294 1.00 0.00 H new ATOM 572 N LYS A 37 5.076 -3.146 9.204 1.00 0.00 N ATOM 573 CA LYS A 37 6.274 -2.614 8.584 1.00 0.00 C ATOM 574 C LYS A 37 6.274 -1.090 8.634 1.00 0.00 C ATOM 575 O LYS A 37 7.314 -0.454 8.460 1.00 0.00 O ATOM 576 CB LYS A 37 6.377 -3.099 7.135 1.00 0.00 C ATOM 577 CG LYS A 37 6.426 -4.615 6.988 1.00 0.00 C ATOM 578 CD LYS A 37 7.333 -5.257 8.027 1.00 0.00 C ATOM 579 CE LYS A 37 6.538 -6.015 9.078 1.00 0.00 C ATOM 580 NZ LYS A 37 7.227 -6.016 10.397 1.00 0.00 N ATOM 0 H LYS A 37 4.418 -3.572 8.551 1.00 0.00 H new ATOM 0 HA LYS A 37 7.140 -2.975 9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.524 -2.718 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.272 -2.672 6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.419 -5.022 7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.780 -4.872 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.026 -5.939 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.934 -4.487 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.552 -5.563 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.385 -7.042 8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.654 -6.542 11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.158 -6.470 10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.351 -5.037 10.725 1.00 0.00 H new ATOM 594 N LEU A 38 5.102 -0.507 8.877 1.00 0.00 N ATOM 595 CA LEU A 38 4.974 0.940 8.957 1.00 0.00 C ATOM 596 C LEU A 38 5.441 1.442 10.313 1.00 0.00 C ATOM 597 O LEU A 38 5.998 2.532 10.418 1.00 0.00 O ATOM 598 CB LEU A 38 3.520 1.348 8.716 1.00 0.00 C ATOM 599 CG LEU A 38 3.057 1.362 7.249 1.00 0.00 C ATOM 600 CD1 LEU A 38 2.994 2.787 6.726 1.00 0.00 C ATOM 601 CD2 LEU A 38 3.971 0.515 6.368 1.00 0.00 C ATOM 0 H LEU A 38 4.230 -1.017 9.021 1.00 0.00 H new ATOM 0 HA LEU A 38 5.602 1.390 8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.876 0.668 9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.369 2.344 9.133 1.00 0.00 H new ATOM 0 HG LEU A 38 2.058 0.927 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.665 2.779 5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.290 3.364 7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.982 3.242 6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.615 0.547 5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.987 0.908 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.965 -0.516 6.722 1.00 0.00 H new ATOM 613 N THR A 39 5.230 0.632 11.349 1.00 0.00 N ATOM 614 CA THR A 39 5.642 0.993 12.691 1.00 0.00 C ATOM 615 C THR A 39 7.042 1.532 12.678 1.00 0.00 C ATOM 616 O THR A 39 7.323 2.611 13.199 1.00 0.00 O ATOM 617 CB THR A 39 5.585 -0.219 13.592 1.00 0.00 C ATOM 618 OG1 THR A 39 6.605 -1.145 13.261 1.00 0.00 O ATOM 619 CG2 THR A 39 4.272 -0.936 13.523 1.00 0.00 C ATOM 0 H THR A 39 4.775 -0.278 11.278 1.00 0.00 H new ATOM 0 HA THR A 39 4.964 1.760 13.066 1.00 0.00 H new ATOM 0 HB THR A 39 5.723 0.163 14.604 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.469 -1.468 12.346 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.292 -1.797 14.191 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.472 -0.260 13.825 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.095 -1.274 12.502 1.00 0.00 H new ATOM 627 N ALA A 40 7.915 0.768 12.063 1.00 0.00 N ATOM 628 CA ALA A 40 9.297 1.159 11.956 1.00 0.00 C ATOM 629 C ALA A 40 9.484 2.180 10.841 1.00 0.00 C ATOM 630 O ALA A 40 10.489 2.155 10.130 1.00 0.00 O ATOM 631 CB ALA A 40 10.206 -0.037 11.716 1.00 0.00 C ATOM 0 H ALA A 40 7.690 -0.128 11.630 1.00 0.00 H new ATOM 0 HA ALA A 40 9.576 1.611 12.908 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.240 0.301 11.641 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.112 -0.738 12.546 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.918 -0.532 10.789 1.00 0.00 H new ATOM 637 N SER A 41 8.517 3.084 10.682 1.00 0.00 N ATOM 638 CA SER A 41 8.602 4.098 9.642 1.00 0.00 C ATOM 639 C SER A 41 9.939 4.824 9.710 1.00 0.00 C ATOM 640 O SER A 41 10.400 5.383 8.715 1.00 0.00 O ATOM 641 CB SER A 41 7.434 5.076 9.747 1.00 0.00 C ATOM 642 OG SER A 41 7.561 6.127 8.807 1.00 0.00 O ATOM 0 H SER A 41 7.675 3.132 11.256 1.00 0.00 H new ATOM 0 HA SER A 41 8.538 3.606 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.496 4.546 9.580 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.391 5.489 10.755 1.00 0.00 H new ATOM 0 HG SER A 41 6.720 6.229 8.315 1.00 0.00 H new ATOM 648 N ASN A 42 10.587 4.767 10.877 1.00 0.00 N ATOM 649 CA ASN A 42 11.901 5.373 11.043 1.00 0.00 C ATOM 650 C ASN A 42 12.805 4.911 9.904 1.00 0.00 C ATOM 651 O ASN A 42 13.709 5.627 9.473 1.00 0.00 O ATOM 652 CB ASN A 42 12.498 4.971 12.391 1.00 0.00 C ATOM 653 CG ASN A 42 13.883 5.550 12.609 1.00 0.00 C ATOM 654 OD1 ASN A 42 14.888 4.945 12.236 1.00 0.00 O ATOM 655 ND2 ASN A 42 13.941 6.729 13.217 1.00 0.00 N ATOM 0 H ASN A 42 10.222 4.310 11.712 1.00 0.00 H new ATOM 0 HA ASN A 42 11.811 6.459 11.019 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.838 5.305 13.191 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.548 3.884 12.453 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.845 7.169 13.392 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.082 7.195 13.509 1.00 0.00 H new ATOM 662 N SER A 43 12.502 3.717 9.393 1.00 0.00 N ATOM 663 CA SER A 43 13.205 3.146 8.283 1.00 0.00 C ATOM 664 C SER A 43 12.412 3.476 7.034 1.00 0.00 C ATOM 665 O SER A 43 11.768 2.609 6.442 1.00 0.00 O ATOM 666 CB SER A 43 13.342 1.631 8.449 1.00 0.00 C ATOM 667 OG SER A 43 14.081 1.064 7.380 1.00 0.00 O ATOM 0 H SER A 43 11.752 3.127 9.753 1.00 0.00 H new ATOM 0 HA SER A 43 14.214 3.554 8.218 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.837 1.409 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.352 1.176 8.492 1.00 0.00 H new ATOM 0 HG SER A 43 14.293 0.130 7.588 1.00 0.00 H new ATOM 673 N GLU A 44 12.429 4.750 6.661 1.00 0.00 N ATOM 674 CA GLU A 44 11.675 5.210 5.507 1.00 0.00 C ATOM 675 C GLU A 44 12.073 4.429 4.278 1.00 0.00 C ATOM 676 O GLU A 44 11.288 4.251 3.351 1.00 0.00 O ATOM 677 CB GLU A 44 11.927 6.696 5.273 1.00 0.00 C ATOM 678 CG GLU A 44 13.360 7.020 4.878 1.00 0.00 C ATOM 679 CD GLU A 44 13.830 8.355 5.421 1.00 0.00 C ATOM 680 OE1 GLU A 44 13.073 8.988 6.187 1.00 0.00 O ATOM 681 OE2 GLU A 44 14.958 8.770 5.080 1.00 0.00 O ATOM 0 H GLU A 44 12.956 5.479 7.141 1.00 0.00 H new ATOM 0 HA GLU A 44 10.614 5.053 5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.255 7.050 4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.677 7.245 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.020 6.232 5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.440 7.026 3.791 1.00 0.00 H new ATOM 688 N ASN A 45 13.289 3.930 4.296 1.00 0.00 N ATOM 689 CA ASN A 45 13.782 3.130 3.188 1.00 0.00 C ATOM 690 C ASN A 45 12.929 1.881 3.053 1.00 0.00 C ATOM 691 O ASN A 45 12.640 1.414 1.953 1.00 0.00 O ATOM 692 CB ASN A 45 15.254 2.758 3.399 1.00 0.00 C ATOM 693 CG ASN A 45 15.778 1.813 2.333 1.00 0.00 C ATOM 694 OD1 ASN A 45 16.233 0.709 2.637 1.00 0.00 O ATOM 695 ND2 ASN A 45 15.718 2.241 1.078 1.00 0.00 N ATOM 0 H ASN A 45 13.954 4.061 5.059 1.00 0.00 H new ATOM 0 HA ASN A 45 13.715 3.713 2.269 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.857 3.666 3.402 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.371 2.295 4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.057 1.648 0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.333 3.163 0.871 1.00 0.00 H new ATOM 702 N SER A 46 12.526 1.367 4.200 1.00 0.00 N ATOM 703 CA SER A 46 11.692 0.184 4.281 1.00 0.00 C ATOM 704 C SER A 46 10.220 0.521 4.065 1.00 0.00 C ATOM 705 O SER A 46 9.431 -0.315 3.622 1.00 0.00 O ATOM 706 CB SER A 46 11.885 -0.472 5.643 1.00 0.00 C ATOM 707 OG SER A 46 11.536 -1.846 5.608 1.00 0.00 O ATOM 0 H SER A 46 12.770 1.762 5.108 1.00 0.00 H new ATOM 0 HA SER A 46 11.991 -0.505 3.491 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.924 -0.366 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.275 0.041 6.386 1.00 0.00 H new ATOM 0 HG SER A 46 11.263 -2.091 4.699 1.00 0.00 H new ATOM 713 N TYR A 47 9.868 1.760 4.372 1.00 0.00 N ATOM 714 CA TYR A 47 8.530 2.254 4.216 1.00 0.00 C ATOM 715 C TYR A 47 8.348 2.717 2.786 1.00 0.00 C ATOM 716 O TYR A 47 7.235 2.878 2.317 1.00 0.00 O ATOM 717 CB TYR A 47 8.256 3.316 5.292 1.00 0.00 C ATOM 718 CG TYR A 47 7.755 4.659 4.833 1.00 0.00 C ATOM 719 CD1 TYR A 47 8.617 5.578 4.275 1.00 0.00 C ATOM 720 CD2 TYR A 47 6.431 5.022 5.019 1.00 0.00 C ATOM 721 CE1 TYR A 47 8.177 6.833 3.900 1.00 0.00 C ATOM 722 CE2 TYR A 47 5.979 6.277 4.660 1.00 0.00 C ATOM 723 CZ TYR A 47 6.859 7.179 4.101 1.00 0.00 C ATOM 724 OH TYR A 47 6.423 8.435 3.751 1.00 0.00 O ATOM 0 H TYR A 47 10.521 2.452 4.741 1.00 0.00 H new ATOM 0 HA TYR A 47 7.779 1.481 4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.527 2.906 5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.179 3.474 5.851 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.654 5.313 4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.741 4.312 5.452 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.862 7.538 3.452 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.946 6.549 4.816 1.00 0.00 H new ATOM 0 HH TYR A 47 6.514 9.038 4.518 1.00 0.00 H new ATOM 734 N ILE A 48 9.493 2.884 2.107 1.00 0.00 N ATOM 735 CA ILE A 48 9.561 3.285 0.709 1.00 0.00 C ATOM 736 C ILE A 48 9.398 2.073 -0.170 1.00 0.00 C ATOM 737 O ILE A 48 8.695 2.100 -1.179 1.00 0.00 O ATOM 738 CB ILE A 48 10.925 3.964 0.419 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.927 5.399 0.942 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.285 3.916 -1.062 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.588 5.837 1.494 1.00 0.00 C ATOM 0 H ILE A 48 10.410 2.739 2.529 1.00 0.00 H new ATOM 0 HA ILE A 48 8.761 3.995 0.500 1.00 0.00 H new ATOM 0 HB ILE A 48 11.694 3.401 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.682 5.493 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.217 6.072 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.248 4.403 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.346 2.878 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.519 4.433 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.659 6.865 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.833 5.775 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.305 5.187 2.322 1.00 0.00 H new ATOM 753 N GLU A 49 10.033 0.995 0.244 1.00 0.00 N ATOM 754 CA GLU A 49 9.933 -0.242 -0.484 1.00 0.00 C ATOM 755 C GLU A 49 8.545 -0.773 -0.299 1.00 0.00 C ATOM 756 O GLU A 49 7.808 -0.962 -1.267 1.00 0.00 O ATOM 757 CB GLU A 49 10.990 -1.259 -0.044 1.00 0.00 C ATOM 758 CG GLU A 49 11.402 -1.148 1.411 1.00 0.00 C ATOM 759 CD GLU A 49 11.506 -2.497 2.096 1.00 0.00 C ATOM 760 OE1 GLU A 49 12.384 -3.295 1.704 1.00 0.00 O ATOM 761 OE2 GLU A 49 10.709 -2.756 3.021 1.00 0.00 O ATOM 0 H GLU A 49 10.620 0.956 1.077 1.00 0.00 H new ATOM 0 HA GLU A 49 10.126 -0.059 -1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.607 -2.263 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.875 -1.138 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.363 -0.638 1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.678 -0.530 1.943 1.00 0.00 H new ATOM 768 N VAL A 50 8.153 -0.949 0.954 1.00 0.00 N ATOM 769 CA VAL A 50 6.810 -1.393 1.237 1.00 0.00 C ATOM 770 C VAL A 50 5.841 -0.388 0.640 1.00 0.00 C ATOM 771 O VAL A 50 4.706 -0.719 0.306 1.00 0.00 O ATOM 772 CB VAL A 50 6.545 -1.565 2.750 1.00 0.00 C ATOM 773 CG1 VAL A 50 6.365 -0.218 3.434 1.00 0.00 C ATOM 774 CG2 VAL A 50 5.328 -2.448 2.978 1.00 0.00 C ATOM 0 H VAL A 50 8.739 -0.793 1.774 1.00 0.00 H new ATOM 0 HA VAL A 50 6.671 -2.377 0.790 1.00 0.00 H new ATOM 0 HB VAL A 50 7.415 -2.050 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.180 -0.372 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.268 0.379 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.518 0.305 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.155 -2.559 4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.454 -1.990 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.502 -3.428 2.535 1.00 0.00 H new ATOM 784 N ILE A 51 6.326 0.844 0.476 1.00 0.00 N ATOM 785 CA ILE A 51 5.535 1.892 -0.112 1.00 0.00 C ATOM 786 C ILE A 51 5.408 1.657 -1.613 1.00 0.00 C ATOM 787 O ILE A 51 4.379 1.977 -2.216 1.00 0.00 O ATOM 788 CB ILE A 51 6.131 3.292 0.189 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.162 4.077 1.083 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.426 4.075 -1.087 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.717 4.037 0.610 1.00 0.00 C ATOM 0 H ILE A 51 7.268 1.127 0.748 1.00 0.00 H new ATOM 0 HA ILE A 51 4.541 1.869 0.334 1.00 0.00 H new ATOM 0 HB ILE A 51 7.080 3.151 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.214 3.678 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.489 5.116 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.842 5.049 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.144 3.524 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.503 4.213 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.094 4.614 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.650 4.464 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.370 3.004 0.588 1.00 0.00 H new ATOM 803 N SER A 52 6.441 1.052 -2.210 1.00 0.00 N ATOM 804 CA SER A 52 6.402 0.744 -3.622 1.00 0.00 C ATOM 805 C SER A 52 5.482 -0.429 -3.830 1.00 0.00 C ATOM 806 O SER A 52 4.668 -0.473 -4.753 1.00 0.00 O ATOM 807 CB SER A 52 7.789 0.412 -4.158 1.00 0.00 C ATOM 808 OG SER A 52 7.706 -0.367 -5.336 1.00 0.00 O ATOM 0 H SER A 52 7.299 0.773 -1.734 1.00 0.00 H new ATOM 0 HA SER A 52 6.039 1.617 -4.164 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.333 1.334 -4.365 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.356 -0.129 -3.400 1.00 0.00 H new ATOM 0 HG SER A 52 6.924 -0.090 -5.857 1.00 0.00 H new ATOM 814 N LEU A 53 5.653 -1.388 -2.937 1.00 0.00 N ATOM 815 CA LEU A 53 4.892 -2.607 -2.945 1.00 0.00 C ATOM 816 C LEU A 53 3.464 -2.357 -2.496 1.00 0.00 C ATOM 817 O LEU A 53 2.602 -3.193 -2.672 1.00 0.00 O ATOM 818 CB LEU A 53 5.584 -3.635 -2.054 1.00 0.00 C ATOM 819 CG LEU A 53 7.113 -3.624 -2.160 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.750 -3.820 -0.798 1.00 0.00 C ATOM 821 CD2 LEU A 53 7.589 -4.687 -3.136 1.00 0.00 C ATOM 0 H LEU A 53 6.335 -1.333 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 53 4.844 -2.997 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.301 -3.451 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.219 -4.629 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 53 7.421 -2.650 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.835 -3.809 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.439 -3.015 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.434 -4.777 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.677 -4.663 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.266 -5.669 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.166 -4.492 -4.121 1.00 0.00 H new ATOM 833 N LEU A 54 3.206 -1.205 -1.907 1.00 0.00 N ATOM 834 CA LEU A 54 1.864 -0.893 -1.470 1.00 0.00 C ATOM 835 C LEU A 54 0.990 -0.426 -2.627 1.00 0.00 C ATOM 836 O LEU A 54 -0.026 -1.045 -2.935 1.00 0.00 O ATOM 837 CB LEU A 54 1.896 0.114 -0.331 1.00 0.00 C ATOM 838 CG LEU A 54 2.122 -0.513 1.052 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.928 -0.250 1.958 1.00 0.00 C ATOM 840 CD2 LEU A 54 2.386 -2.021 0.944 1.00 0.00 C ATOM 0 H LEU A 54 3.899 -0.480 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 54 1.408 -1.807 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.687 0.839 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.955 0.664 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 54 3.005 -0.047 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.105 -0.702 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.790 0.825 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.032 -0.685 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.542 -2.435 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.529 -2.508 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.275 -2.192 0.337 1.00 0.00 H new ATOM 852 N SER A 55 1.386 0.667 -3.264 1.00 0.00 N ATOM 853 CA SER A 55 0.627 1.216 -4.385 1.00 0.00 C ATOM 854 C SER A 55 0.356 0.170 -5.471 1.00 0.00 C ATOM 855 O SER A 55 -0.686 0.205 -6.125 1.00 0.00 O ATOM 856 CB SER A 55 1.370 2.415 -4.979 1.00 0.00 C ATOM 857 OG SER A 55 1.894 2.121 -6.264 1.00 0.00 O ATOM 0 H SER A 55 2.227 1.193 -3.026 1.00 0.00 H new ATOM 0 HA SER A 55 -0.341 1.538 -4.000 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.692 3.266 -5.048 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.182 2.707 -4.313 1.00 0.00 H new ATOM 0 HG SER A 55 2.360 2.908 -6.615 1.00 0.00 H new ATOM 863 N ARG A 56 1.301 -0.743 -5.675 1.00 0.00 N ATOM 864 CA ARG A 56 1.156 -1.776 -6.703 1.00 0.00 C ATOM 865 C ARG A 56 1.152 -3.187 -6.100 1.00 0.00 C ATOM 866 O ARG A 56 0.743 -4.146 -6.752 1.00 0.00 O ATOM 867 CB ARG A 56 2.285 -1.622 -7.739 1.00 0.00 C ATOM 868 CG ARG A 56 2.782 -2.926 -8.348 1.00 0.00 C ATOM 869 CD ARG A 56 3.881 -3.549 -7.501 1.00 0.00 C ATOM 870 NE ARG A 56 4.082 -4.961 -7.815 1.00 0.00 N ATOM 871 CZ ARG A 56 4.623 -5.399 -8.951 1.00 0.00 C ATOM 872 NH1 ARG A 56 5.027 -4.539 -9.877 1.00 0.00 N ATOM 873 NH2 ARG A 56 4.764 -6.701 -9.157 1.00 0.00 N ATOM 0 H ARG A 56 2.172 -0.791 -5.147 1.00 0.00 H new ATOM 0 HA ARG A 56 0.192 -1.643 -7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.935 -0.974 -8.542 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.126 -1.116 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.951 -3.626 -8.442 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.157 -2.740 -9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.813 -3.006 -7.660 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.628 -3.445 -6.446 1.00 0.00 H new ATOM 0 HE ARG A 56 3.791 -5.653 -7.124 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.924 -3.536 -9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.440 -4.881 -10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.458 -7.366 -8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.178 -7.038 -10.026 1.00 0.00 H new ATOM 887 N GLY A 57 1.611 -3.306 -4.862 1.00 0.00 N ATOM 888 CA GLY A 57 1.658 -4.602 -4.202 1.00 0.00 C ATOM 889 C GLY A 57 0.290 -5.187 -3.933 1.00 0.00 C ATOM 890 O GLY A 57 0.088 -6.395 -4.069 1.00 0.00 O ATOM 0 H GLY A 57 1.953 -2.528 -4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.227 -5.296 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.195 -4.502 -3.258 1.00 0.00 H new ATOM 894 N ILE A 58 -0.653 -4.340 -3.538 1.00 0.00 N ATOM 895 CA ILE A 58 -1.997 -4.806 -3.237 1.00 0.00 C ATOM 896 C ILE A 58 -2.762 -5.154 -4.518 1.00 0.00 C ATOM 897 O ILE A 58 -3.846 -5.733 -4.463 1.00 0.00 O ATOM 898 CB ILE A 58 -2.802 -3.782 -2.384 1.00 0.00 C ATOM 899 CG1 ILE A 58 -3.971 -3.188 -3.170 1.00 0.00 C ATOM 900 CG2 ILE A 58 -1.917 -2.662 -1.848 1.00 0.00 C ATOM 901 CD1 ILE A 58 -4.736 -2.146 -2.393 1.00 0.00 C ATOM 0 H ILE A 58 -0.512 -3.337 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.886 -5.711 -2.640 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.200 -4.338 -1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.593 -2.742 -4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.651 -3.989 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.521 -1.971 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.134 -3.086 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.463 -2.127 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.553 -1.763 -3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.141 -2.594 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.067 -1.327 -2.126 1.00 0.00 H new ATOM 1109 N PRO A 70 -12.152 -6.061 -1.500 1.00 0.00 N ATOM 1110 CA PRO A 70 -13.439 -5.547 -1.047 1.00 0.00 C ATOM 1111 C PRO A 70 -13.429 -4.035 -0.822 1.00 0.00 C ATOM 1112 O PRO A 70 -13.929 -3.547 0.192 1.00 0.00 O ATOM 1113 CB PRO A 70 -13.649 -6.287 0.269 1.00 0.00 C ATOM 1114 CG PRO A 70 -12.276 -6.530 0.805 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.326 -6.525 -0.371 1.00 0.00 C ATOM 0 HA PRO A 70 -14.228 -5.706 -1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.244 -5.694 0.964 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.182 -7.225 0.113 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.002 -5.758 1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.232 -7.484 1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.480 -5.860 -0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -10.918 -7.518 -0.558 1.00 0.00 H new ATOM 1123 N SER A 71 -12.864 -3.297 -1.778 1.00 0.00 N ATOM 1124 CA SER A 71 -12.792 -1.832 -1.698 1.00 0.00 C ATOM 1125 C SER A 71 -11.707 -1.370 -0.721 1.00 0.00 C ATOM 1126 O SER A 71 -10.899 -0.486 -1.041 1.00 0.00 O ATOM 1127 CB SER A 71 -14.148 -1.248 -1.288 1.00 0.00 C ATOM 1128 OG SER A 71 -14.238 -1.088 0.118 1.00 0.00 O ATOM 0 H SER A 71 -12.447 -3.689 -2.622 1.00 0.00 H new ATOM 0 HA SER A 71 -12.529 -1.465 -2.690 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.293 -0.284 -1.776 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.948 -1.903 -1.633 1.00 0.00 H new ATOM 0 HG SER A 71 -14.262 -1.969 0.547 1.00 0.00 H new ATOM 1134 N SER A 72 -11.694 -1.966 0.470 1.00 0.00 N ATOM 1135 CA SER A 72 -10.720 -1.623 1.504 1.00 0.00 C ATOM 1136 C SER A 72 -9.286 -1.926 1.085 1.00 0.00 C ATOM 1137 O SER A 72 -8.406 -2.050 1.934 1.00 0.00 O ATOM 1138 CB SER A 72 -11.045 -2.365 2.795 1.00 0.00 C ATOM 1139 OG SER A 72 -10.574 -3.702 2.746 1.00 0.00 O ATOM 0 H SER A 72 -12.353 -2.695 0.744 1.00 0.00 H new ATOM 0 HA SER A 72 -10.791 -0.547 1.662 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.592 -1.847 3.640 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.123 -2.361 2.959 1.00 0.00 H new ATOM 0 HG SER A 72 -10.704 -4.062 1.844 1.00 0.00 H new ATOM 1145 N MET A 73 -9.043 -2.027 -0.212 1.00 0.00 N ATOM 1146 CA MET A 73 -7.707 -2.287 -0.706 1.00 0.00 C ATOM 1147 C MET A 73 -7.216 -1.087 -1.487 1.00 0.00 C ATOM 1148 O MET A 73 -6.286 -0.397 -1.072 1.00 0.00 O ATOM 1149 CB MET A 73 -7.677 -3.541 -1.588 1.00 0.00 C ATOM 1150 CG MET A 73 -8.249 -4.786 -0.925 1.00 0.00 C ATOM 1151 SD MET A 73 -7.836 -4.928 0.829 1.00 0.00 S ATOM 1152 CE MET A 73 -6.142 -4.338 0.853 1.00 0.00 C ATOM 0 H MET A 73 -9.754 -1.933 -0.937 1.00 0.00 H new ATOM 0 HA MET A 73 -7.050 -2.463 0.146 1.00 0.00 H new ATOM 0 HB2 MET A 73 -8.235 -3.341 -2.503 1.00 0.00 H new ATOM 0 HB3 MET A 73 -6.646 -3.740 -1.881 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.333 -4.780 -1.035 1.00 0.00 H new ATOM 0 HG3 MET A 73 -7.880 -5.668 -1.449 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.537 -4.994 1.479 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.743 -4.336 -0.161 1.00 0.00 H new ATOM 0 HE3 MET A 73 -6.115 -3.325 1.256 1.00 0.00 H new ATOM 1162 N LEU A 74 -7.853 -0.839 -2.619 1.00 0.00 N ATOM 1163 CA LEU A 74 -7.487 0.282 -3.464 1.00 0.00 C ATOM 1164 C LEU A 74 -7.438 1.575 -2.668 1.00 0.00 C ATOM 1165 O LEU A 74 -6.654 2.461 -2.975 1.00 0.00 O ATOM 1166 CB LEU A 74 -8.480 0.428 -4.612 1.00 0.00 C ATOM 1167 CG LEU A 74 -8.703 -0.829 -5.459 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -7.584 -1.843 -5.260 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -10.053 -1.449 -5.135 1.00 0.00 C ATOM 0 H LEU A 74 -8.627 -1.401 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.494 0.083 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.439 0.742 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.136 1.229 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.694 -0.533 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.775 -2.722 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.633 -1.397 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.542 -2.137 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.199 -2.341 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.085 -1.720 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.844 -0.730 -5.349 1.00 0.00 H new ATOM 1181 N THR A 75 -8.275 1.677 -1.641 1.00 0.00 N ATOM 1182 CA THR A 75 -8.318 2.875 -0.819 1.00 0.00 C ATOM 1183 C THR A 75 -6.984 3.110 -0.149 1.00 0.00 C ATOM 1184 O THR A 75 -6.620 4.243 0.166 1.00 0.00 O ATOM 1185 CB THR A 75 -9.428 2.746 0.230 1.00 0.00 C ATOM 1186 OG1 THR A 75 -10.267 3.887 0.220 1.00 0.00 O ATOM 1187 CG2 THR A 75 -8.926 2.554 1.651 1.00 0.00 C ATOM 0 H THR A 75 -8.929 0.946 -1.361 1.00 0.00 H new ATOM 0 HA THR A 75 -8.532 3.731 -1.459 1.00 0.00 H new ATOM 0 HB THR A 75 -9.973 1.847 -0.057 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.969 3.783 0.896 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.776 2.472 2.329 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.328 1.644 1.706 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.313 3.408 1.939 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.262 2.038 0.078 1.00 0.00 N ATOM 1196 CA ILE A 76 -4.972 2.148 0.714 1.00 0.00 C ATOM 1197 C ILE A 76 -3.907 2.509 -0.310 1.00 0.00 C ATOM 1198 O ILE A 76 -3.223 3.522 -0.175 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.595 0.849 1.458 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -5.454 0.707 2.715 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -3.112 0.828 1.809 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.699 -0.125 2.498 1.00 0.00 C ATOM 0 H ILE A 76 -6.543 1.088 -0.166 1.00 0.00 H new ATOM 0 HA ILE A 76 -5.031 2.945 1.455 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.788 0.002 0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.856 0.254 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.744 1.699 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.875 -0.098 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.521 0.890 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.878 1.677 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.263 -0.186 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.317 0.339 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.415 -1.128 2.180 1.00 0.00 H new ATOM 1214 N TYR A 77 -3.785 1.694 -1.347 1.00 0.00 N ATOM 1215 CA TYR A 77 -2.815 1.958 -2.395 1.00 0.00 C ATOM 1216 C TYR A 77 -3.128 3.297 -3.053 1.00 0.00 C ATOM 1217 O TYR A 77 -2.226 4.025 -3.471 1.00 0.00 O ATOM 1218 CB TYR A 77 -2.791 0.784 -3.384 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.430 1.012 -4.737 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.023 2.040 -5.577 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -4.435 0.164 -5.176 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -3.609 2.220 -6.816 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -5.028 0.337 -6.412 1.00 0.00 C ATOM 1224 CZ TYR A 77 -4.611 1.366 -7.228 1.00 0.00 C ATOM 1225 OH TYR A 77 -5.195 1.539 -8.462 1.00 0.00 O ATOM 0 H TYR A 77 -4.342 0.850 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.810 2.038 -1.980 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.752 0.497 -3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.287 -0.065 -2.914 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.237 2.709 -5.258 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.760 -0.646 -4.541 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.284 3.025 -7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.813 -0.330 -6.736 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.882 0.853 -8.598 1.00 0.00 H new ATOM 1235 N THR A 78 -4.413 3.639 -3.091 1.00 0.00 N ATOM 1236 CA THR A 78 -4.851 4.917 -3.637 1.00 0.00 C ATOM 1237 C THR A 78 -4.346 6.029 -2.734 1.00 0.00 C ATOM 1238 O THR A 78 -3.934 7.097 -3.187 1.00 0.00 O ATOM 1239 CB THR A 78 -6.381 4.976 -3.699 1.00 0.00 C ATOM 1240 OG1 THR A 78 -6.822 5.826 -4.740 1.00 0.00 O ATOM 1241 CG2 THR A 78 -6.996 5.457 -2.413 1.00 0.00 C ATOM 0 H THR A 78 -5.169 3.046 -2.749 1.00 0.00 H new ATOM 0 HA THR A 78 -4.454 5.033 -4.646 1.00 0.00 H new ATOM 0 HB THR A 78 -6.704 3.951 -3.884 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.802 5.842 -4.756 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.081 5.479 -2.514 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.721 4.781 -1.603 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.632 6.460 -2.188 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.385 5.736 -1.442 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.935 6.662 -0.418 1.00 0.00 C ATOM 1251 C GLN A 79 -2.432 6.812 -0.520 1.00 0.00 C ATOM 1252 O GLN A 79 -1.874 7.895 -0.340 1.00 0.00 O ATOM 1253 CB GLN A 79 -4.328 6.161 0.973 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.751 6.517 1.368 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.824 7.765 2.227 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -6.585 7.824 3.193 1.00 0.00 O ATOM 1257 NE2 GLN A 79 -5.030 8.769 1.878 1.00 0.00 N ATOM 0 H GLN A 79 -4.730 4.849 -1.076 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.411 7.630 -0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.211 5.078 1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.640 6.579 1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.348 6.665 0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.193 5.681 1.910 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.415 8.676 1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.034 9.634 2.418 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.797 5.697 -0.839 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.365 5.634 -1.013 1.00 0.00 C ATOM 1268 C ILE A 80 0.071 6.612 -2.102 1.00 0.00 C ATOM 1269 O ILE A 80 0.940 7.457 -1.882 1.00 0.00 O ATOM 1270 CB ILE A 80 0.028 4.188 -1.370 1.00 0.00 C ATOM 1271 CG1 ILE A 80 0.562 3.464 -0.140 1.00 0.00 C ATOM 1272 CG2 ILE A 80 1.019 4.127 -2.511 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -0.428 2.473 0.418 1.00 0.00 C ATOM 0 H ILE A 80 -2.270 4.805 -0.985 1.00 0.00 H new ATOM 0 HA ILE A 80 0.140 5.919 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.874 3.680 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.485 2.945 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.813 4.195 0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.264 3.087 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.582 4.586 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.926 4.664 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.000 1.984 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.342 2.994 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.659 1.724 -0.339 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.563 6.508 -3.268 1.00 0.00 N ATOM 1286 CA GLN A 81 -0.264 7.403 -4.379 1.00 0.00 C ATOM 1287 C GLN A 81 -0.556 8.842 -3.969 1.00 0.00 C ATOM 1288 O GLN A 81 0.044 9.787 -4.480 1.00 0.00 O ATOM 1289 CB GLN A 81 -1.091 7.025 -5.609 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.499 5.878 -6.411 1.00 0.00 C ATOM 1291 CD GLN A 81 0.257 6.353 -7.636 1.00 0.00 C ATOM 1292 OE1 GLN A 81 0.125 5.783 -8.720 1.00 0.00 O ATOM 1293 NE2 GLN A 81 1.054 7.402 -7.470 1.00 0.00 N ATOM 0 H GLN A 81 -1.284 5.815 -3.466 1.00 0.00 H new ATOM 0 HA GLN A 81 0.791 7.310 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.097 6.753 -5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.186 7.898 -6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.173 5.303 -5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.299 5.205 -6.720 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.132 7.843 -6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.588 7.767 -8.259 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.481 8.988 -3.029 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.864 10.289 -2.513 1.00 0.00 C ATOM 1304 C LYS A 82 -0.818 10.814 -1.569 1.00 0.00 C ATOM 1305 O LYS A 82 -0.566 12.010 -1.515 1.00 0.00 O ATOM 1306 CB LYS A 82 -3.197 10.194 -1.782 1.00 0.00 C ATOM 1307 CG LYS A 82 -4.288 10.994 -2.441 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.990 10.171 -3.509 1.00 0.00 C ATOM 1309 CE LYS A 82 -6.409 9.812 -3.098 1.00 0.00 C ATOM 1310 NZ LYS A 82 -6.453 9.147 -1.766 1.00 0.00 N ATOM 0 H LYS A 82 -1.984 8.208 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.959 10.973 -3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.502 9.149 -1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.068 10.541 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.010 11.318 -1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.866 11.894 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.012 10.731 -4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.423 9.259 -3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.018 10.715 -3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.848 9.153 -3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.402 8.754 -1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.751 8.380 -1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.236 9.842 -1.024 1.00 0.00 H new ATOM 1324 N ASP A 83 -0.193 9.909 -0.849 1.00 0.00 N ATOM 1325 CA ASP A 83 0.849 10.286 0.077 1.00 0.00 C ATOM 1326 C ASP A 83 2.043 10.706 -0.739 1.00 0.00 C ATOM 1327 O ASP A 83 2.752 11.661 -0.424 1.00 0.00 O ATOM 1328 CB ASP A 83 1.215 9.112 0.979 1.00 0.00 C ATOM 1329 CG ASP A 83 0.062 8.674 1.862 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.874 9.478 2.056 1.00 0.00 O ATOM 1331 OD2 ASP A 83 0.097 7.530 2.361 1.00 0.00 O ATOM 0 H ASP A 83 -0.388 8.909 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 83 0.512 11.101 0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.536 8.272 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.062 9.390 1.606 1.00 0.00 H new ATOM 1336 N ILE A 84 2.214 9.976 -1.828 1.00 0.00 N ATOM 1337 CA ILE A 84 3.263 10.222 -2.779 1.00 0.00 C ATOM 1338 C ILE A 84 3.209 11.670 -3.243 1.00 0.00 C ATOM 1339 O ILE A 84 4.167 12.428 -3.097 1.00 0.00 O ATOM 1340 CB ILE A 84 3.067 9.299 -4.003 1.00 0.00 C ATOM 1341 CG1 ILE A 84 3.713 7.924 -3.809 1.00 0.00 C ATOM 1342 CG2 ILE A 84 3.606 9.966 -5.232 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.173 7.670 -2.404 1.00 0.00 C ATOM 0 H ILE A 84 1.615 9.187 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 84 4.226 10.024 -2.309 1.00 0.00 H new ATOM 0 HB ILE A 84 1.997 9.129 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.998 7.152 -4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.565 7.833 -4.483 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.466 9.312 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.076 10.904 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.669 10.168 -5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.620 6.678 -2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.912 8.420 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.321 7.728 -1.726 1.00 0.00 H new ATOM 1355 N LYS A 85 2.071 12.025 -3.822 1.00 0.00 N ATOM 1356 CA LYS A 85 1.854 13.358 -4.339 1.00 0.00 C ATOM 1357 C LYS A 85 1.616 14.361 -3.228 1.00 0.00 C ATOM 1358 O LYS A 85 1.987 15.529 -3.344 1.00 0.00 O ATOM 1359 CB LYS A 85 0.668 13.361 -5.294 1.00 0.00 C ATOM 1360 CG LYS A 85 1.047 13.777 -6.697 1.00 0.00 C ATOM 1361 CD LYS A 85 1.938 12.732 -7.355 1.00 0.00 C ATOM 1362 CE LYS A 85 3.419 12.986 -7.101 1.00 0.00 C ATOM 1363 NZ LYS A 85 3.759 14.436 -7.125 1.00 0.00 N ATOM 0 H LYS A 85 1.278 11.396 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 85 2.757 13.655 -4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.227 12.364 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.097 14.037 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.146 13.919 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.565 14.736 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.672 11.744 -6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.753 12.725 -8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.696 12.567 -6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.009 12.465 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.754 14.555 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.146 14.925 -7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.615 14.842 -6.179 1.00 0.00 H new ATOM 1377 N ASN A 86 0.982 13.909 -2.162 1.00 0.00 N ATOM 1378 CA ASN A 86 0.688 14.804 -1.047 1.00 0.00 C ATOM 1379 C ASN A 86 1.957 15.233 -0.317 1.00 0.00 C ATOM 1380 O ASN A 86 1.922 16.138 0.517 1.00 0.00 O ATOM 1381 CB ASN A 86 -0.284 14.166 -0.050 1.00 0.00 C ATOM 1382 CG ASN A 86 -1.721 14.206 -0.535 1.00 0.00 C ATOM 1383 OD1 ASN A 86 -1.991 14.051 -1.725 1.00 0.00 O ATOM 1384 ND2 ASN A 86 -2.652 14.414 0.390 1.00 0.00 N ATOM 0 H ASN A 86 0.664 12.948 -2.040 1.00 0.00 H new ATOM 0 HA ASN A 86 0.217 15.687 -1.479 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.008 13.131 0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.212 14.685 0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.636 14.450 0.124 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.383 14.537 1.366 1.00 0.00 H new ATOM 1391 N GLY A 87 3.073 14.577 -0.618 1.00 0.00 N ATOM 1392 CA GLY A 87 4.320 14.912 0.040 1.00 0.00 C ATOM 1393 C GLY A 87 4.430 14.247 1.393 1.00 0.00 C ATOM 1394 O GLY A 87 4.958 14.825 2.343 1.00 0.00 O ATOM 0 H GLY A 87 3.135 13.823 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.157 14.604 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.391 15.993 0.158 1.00 0.00 H new ATOM 1398 N ASN A 88 3.939 13.016 1.467 1.00 0.00 N ATOM 1399 CA ASN A 88 3.984 12.238 2.686 1.00 0.00 C ATOM 1400 C ASN A 88 5.076 11.193 2.557 1.00 0.00 C ATOM 1401 O ASN A 88 5.701 10.782 3.534 1.00 0.00 O ATOM 1402 CB ASN A 88 2.633 11.570 2.939 1.00 0.00 C ATOM 1403 CG ASN A 88 1.642 12.495 3.620 1.00 0.00 C ATOM 1404 OD1 ASN A 88 2.081 13.163 4.681 1.00 0.00 O flip ATOM 1405 ND2 ASN A 88 0.492 12.610 3.195 1.00 0.00 N flip ATOM 0 H ASN A 88 3.500 12.535 0.682 1.00 0.00 H new ATOM 0 HA ASN A 88 4.201 12.891 3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.216 11.232 1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.780 10.684 3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.195 12.078 2.377 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.164 13.237 3.661 1.00 0.00 H new ATOM 1412 N ILE A 89 5.298 10.794 1.316 1.00 0.00 N ATOM 1413 CA ILE A 89 6.289 9.835 0.953 1.00 0.00 C ATOM 1414 C ILE A 89 7.430 10.573 0.276 1.00 0.00 C ATOM 1415 O ILE A 89 7.299 11.759 -0.031 1.00 0.00 O ATOM 1416 CB ILE A 89 5.653 8.857 -0.033 1.00 0.00 C ATOM 1417 CG1 ILE A 89 4.405 8.185 0.558 1.00 0.00 C ATOM 1418 CG2 ILE A 89 6.654 7.846 -0.472 1.00 0.00 C ATOM 1419 CD1 ILE A 89 4.547 7.754 1.998 1.00 0.00 C ATOM 0 H ILE A 89 4.769 11.149 0.519 1.00 0.00 H new ATOM 0 HA ILE A 89 6.663 9.296 1.823 1.00 0.00 H new ATOM 0 HB ILE A 89 5.326 9.422 -0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.565 8.875 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.157 7.312 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.189 7.155 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.490 8.349 -0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.017 7.293 0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.619 7.290 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.363 7.037 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.761 8.624 2.619 1.00 0.00 H new ATOM 1431 N ASP A 90 8.534 9.896 0.025 1.00 0.00 N ATOM 1432 CA ASP A 90 9.648 10.542 -0.635 1.00 0.00 C ATOM 1433 C ASP A 90 9.833 9.924 -1.993 1.00 0.00 C ATOM 1434 O ASP A 90 10.775 9.170 -2.227 1.00 0.00 O ATOM 1435 CB ASP A 90 10.928 10.425 0.190 1.00 0.00 C ATOM 1436 CG ASP A 90 10.676 10.496 1.685 1.00 0.00 C ATOM 1437 OD1 ASP A 90 10.249 9.474 2.263 1.00 0.00 O ATOM 1438 OD2 ASP A 90 10.906 11.572 2.276 1.00 0.00 O ATOM 0 H ASP A 90 8.681 8.915 0.264 1.00 0.00 H new ATOM 0 HA ASP A 90 9.430 11.605 -0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.421 9.482 -0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.613 11.223 -0.096 1.00 0.00 H new ATOM 1443 N THR A 91 8.904 10.235 -2.883 1.00 0.00 N ATOM 1444 CA THR A 91 8.935 9.695 -4.223 1.00 0.00 C ATOM 1445 C THR A 91 10.273 9.902 -4.893 1.00 0.00 C ATOM 1446 O THR A 91 10.576 9.223 -5.861 1.00 0.00 O ATOM 1447 CB THR A 91 7.795 10.233 -5.060 1.00 0.00 C ATOM 1448 OG1 THR A 91 7.044 11.203 -4.349 1.00 0.00 O ATOM 1449 CG2 THR A 91 6.863 9.124 -5.468 1.00 0.00 C ATOM 0 H THR A 91 8.120 10.860 -2.696 1.00 0.00 H new ATOM 0 HA THR A 91 8.797 8.617 -4.137 1.00 0.00 H new ATOM 0 HB THR A 91 8.240 10.693 -5.942 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.420 11.647 -4.961 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.051 9.534 -6.069 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.411 8.385 -6.053 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.451 8.649 -4.578 1.00 0.00 H new ATOM 1457 N GLU A 92 11.094 10.790 -4.353 1.00 0.00 N ATOM 1458 CA GLU A 92 12.418 10.996 -4.898 1.00 0.00 C ATOM 1459 C GLU A 92 13.256 9.773 -4.565 1.00 0.00 C ATOM 1460 O GLU A 92 14.052 9.295 -5.373 1.00 0.00 O ATOM 1461 CB GLU A 92 13.059 12.263 -4.325 1.00 0.00 C ATOM 1462 CG GLU A 92 12.055 13.346 -3.963 1.00 0.00 C ATOM 1463 CD GLU A 92 12.662 14.735 -3.986 1.00 0.00 C ATOM 1464 OE1 GLU A 92 13.903 14.844 -3.898 1.00 0.00 O ATOM 1465 OE2 GLU A 92 11.895 15.716 -4.092 1.00 0.00 O ATOM 0 H GLU A 92 10.866 11.372 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 92 12.357 11.129 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.632 11.999 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.765 12.663 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.218 13.308 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.652 13.146 -2.970 1.00 0.00 H new ATOM 1472 N LYS A 93 13.025 9.254 -3.363 1.00 0.00 N ATOM 1473 CA LYS A 93 13.709 8.066 -2.888 1.00 0.00 C ATOM 1474 C LYS A 93 13.099 6.830 -3.523 1.00 0.00 C ATOM 1475 O LYS A 93 13.809 5.928 -3.970 1.00 0.00 O ATOM 1476 CB LYS A 93 13.630 7.967 -1.359 1.00 0.00 C ATOM 1477 CG LYS A 93 13.783 9.307 -0.647 1.00 0.00 C ATOM 1478 CD LYS A 93 13.652 9.187 0.873 1.00 0.00 C ATOM 1479 CE LYS A 93 12.794 8.000 1.306 1.00 0.00 C ATOM 1480 NZ LYS A 93 13.542 6.715 1.201 1.00 0.00 N ATOM 0 H LYS A 93 12.360 9.647 -2.696 1.00 0.00 H new ATOM 0 HA LYS A 93 14.759 8.134 -3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.673 7.526 -1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.407 7.288 -1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.756 9.734 -0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.028 10.000 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.645 9.089 1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.218 10.105 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.463 8.146 2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.899 7.952 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.396 6.157 2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.196 6.178 0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.556 6.912 1.083 1.00 0.00 H new ATOM 1494 N LEU A 94 11.775 6.812 -3.590 1.00 0.00 N ATOM 1495 CA LEU A 94 11.069 5.706 -4.208 1.00 0.00 C ATOM 1496 C LEU A 94 11.224 5.790 -5.715 1.00 0.00 C ATOM 1497 O LEU A 94 11.020 4.807 -6.421 1.00 0.00 O ATOM 1498 CB LEU A 94 9.582 5.662 -3.839 1.00 0.00 C ATOM 1499 CG LEU A 94 9.078 6.711 -2.875 1.00 0.00 C ATOM 1500 CD1 LEU A 94 7.597 6.960 -3.112 1.00 0.00 C ATOM 1501 CD2 LEU A 94 9.339 6.290 -1.448 1.00 0.00 C ATOM 0 H LEU A 94 11.173 7.550 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 94 11.513 4.786 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.003 5.743 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.369 4.682 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 94 9.617 7.643 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.239 7.717 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.445 7.308 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.043 6.034 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.969 7.058 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.826 5.350 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.411 6.158 -1.298 1.00 0.00 H new ATOM 1513 N ARG A 95 11.597 6.971 -6.206 1.00 0.00 N ATOM 1514 CA ARG A 95 11.790 7.174 -7.617 1.00 0.00 C ATOM 1515 C ARG A 95 13.052 6.477 -8.057 1.00 0.00 C ATOM 1516 O ARG A 95 13.081 5.850 -9.107 1.00 0.00 O ATOM 1517 CB ARG A 95 11.852 8.677 -7.918 1.00 0.00 C ATOM 1518 CG ARG A 95 12.855 9.081 -8.978 1.00 0.00 C ATOM 1519 CD ARG A 95 12.252 9.033 -10.373 1.00 0.00 C ATOM 1520 NE ARG A 95 12.744 10.117 -11.220 1.00 0.00 N ATOM 1521 CZ ARG A 95 12.543 11.410 -10.966 1.00 0.00 C ATOM 1522 NH1 ARG A 95 11.848 11.785 -9.900 1.00 0.00 N ATOM 1523 NH2 ARG A 95 13.036 12.329 -11.785 1.00 0.00 N ATOM 0 H ARG A 95 11.769 7.798 -5.634 1.00 0.00 H new ATOM 0 HA ARG A 95 10.953 6.750 -8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.862 9.010 -8.231 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.089 9.207 -6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.215 10.089 -8.772 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.719 8.418 -8.932 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.487 8.075 -10.837 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.166 9.094 -10.301 1.00 0.00 H new ATOM 0 HE ARG A 95 13.273 9.869 -12.056 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.464 11.082 -9.269 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.698 12.776 -9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.568 12.046 -12.608 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.883 13.319 -11.592 1.00 0.00 H new ATOM 1537 N LYS A 96 14.084 6.572 -7.231 1.00 0.00 N ATOM 1538 CA LYS A 96 15.352 5.924 -7.536 1.00 0.00 C ATOM 1539 C LYS A 96 15.222 4.440 -7.277 1.00 0.00 C ATOM 1540 O LYS A 96 15.745 3.601 -8.013 1.00 0.00 O ATOM 1541 CB LYS A 96 16.491 6.509 -6.692 1.00 0.00 C ATOM 1542 CG LYS A 96 16.609 8.025 -6.763 1.00 0.00 C ATOM 1543 CD LYS A 96 16.441 8.539 -8.184 1.00 0.00 C ATOM 1544 CE LYS A 96 17.660 8.228 -9.037 1.00 0.00 C ATOM 1545 NZ LYS A 96 17.929 9.299 -10.037 1.00 0.00 N ATOM 0 H LYS A 96 14.070 7.087 -6.351 1.00 0.00 H new ATOM 0 HA LYS A 96 15.593 6.099 -8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.344 6.216 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.433 6.067 -7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.854 8.479 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.581 8.332 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.557 8.087 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.274 9.616 -8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.531 8.106 -8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 96 17.509 7.280 -9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 18.768 9.048 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.108 9.399 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.099 10.199 -9.544 1.00 0.00 H new ATOM 1559 N TYR A 97 14.500 4.141 -6.217 1.00 0.00 N ATOM 1560 CA TYR A 97 14.248 2.785 -5.807 1.00 0.00 C ATOM 1561 C TYR A 97 13.327 2.088 -6.807 1.00 0.00 C ATOM 1562 O TYR A 97 13.554 0.938 -7.174 1.00 0.00 O ATOM 1563 CB TYR A 97 13.647 2.819 -4.401 1.00 0.00 C ATOM 1564 CG TYR A 97 12.761 1.668 -4.072 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.232 0.369 -4.124 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.454 1.889 -3.699 1.00 0.00 C ATOM 1567 CE1 TYR A 97 12.413 -0.688 -3.814 1.00 0.00 C ATOM 1568 CE2 TYR A 97 10.628 0.844 -3.388 1.00 0.00 C ATOM 1569 CZ TYR A 97 11.108 -0.450 -3.446 1.00 0.00 C ATOM 1570 OH TYR A 97 10.281 -1.504 -3.134 1.00 0.00 O ATOM 0 H TYR A 97 14.070 4.842 -5.614 1.00 0.00 H new ATOM 0 HA TYR A 97 15.174 2.211 -5.784 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.459 2.853 -3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.078 3.742 -4.287 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.256 0.184 -4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.076 2.900 -3.651 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.790 -1.699 -3.858 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.604 1.030 -3.098 1.00 0.00 H new ATOM 0 HH TYR A 97 10.813 -2.238 -2.761 1.00 0.00 H new ATOM 1580 N GLU A 98 12.307 2.805 -7.268 1.00 0.00 N ATOM 1581 CA GLU A 98 11.374 2.266 -8.248 1.00 0.00 C ATOM 1582 C GLU A 98 12.119 1.951 -9.532 1.00 0.00 C ATOM 1583 O GLU A 98 11.765 1.017 -10.250 1.00 0.00 O ATOM 1584 CB GLU A 98 10.243 3.258 -8.532 1.00 0.00 C ATOM 1585 CG GLU A 98 9.052 3.108 -7.597 1.00 0.00 C ATOM 1586 CD GLU A 98 7.724 3.207 -8.323 1.00 0.00 C ATOM 1587 OE1 GLU A 98 7.517 4.203 -9.049 1.00 0.00 O ATOM 1588 OE2 GLU A 98 6.890 2.292 -8.164 1.00 0.00 O ATOM 0 H GLU A 98 12.106 3.762 -6.977 1.00 0.00 H new ATOM 0 HA GLU A 98 10.932 1.355 -7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.632 4.273 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.906 3.127 -9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.113 2.146 -7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.100 3.879 -6.828 1.00 0.00 H new ATOM 1595 N ILE A 99 13.167 2.727 -9.817 1.00 0.00 N ATOM 1596 CA ILE A 99 13.956 2.494 -11.015 1.00 0.00 C ATOM 1597 C ILE A 99 14.533 1.102 -10.979 1.00 0.00 C ATOM 1598 O ILE A 99 14.377 0.310 -11.909 1.00 0.00 O ATOM 1599 CB ILE A 99 15.134 3.476 -11.173 1.00 0.00 C ATOM 1600 CG1 ILE A 99 14.696 4.905 -10.915 1.00 0.00 C ATOM 1601 CG2 ILE A 99 15.747 3.345 -12.556 1.00 0.00 C ATOM 1602 CD1 ILE A 99 13.471 5.323 -11.700 1.00 0.00 C ATOM 0 H ILE A 99 13.481 3.508 -9.241 1.00 0.00 H new ATOM 0 HA ILE A 99 13.276 2.636 -11.855 1.00 0.00 H new ATOM 0 HB ILE A 99 15.890 3.221 -10.430 1.00 0.00 H new ATOM 0 HG12 ILE A 99 14.492 5.026 -9.851 1.00 0.00 H new ATOM 0 HG13 ILE A 99 15.519 5.577 -11.160 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.578 4.044 -12.654 1.00 0.00 H new ATOM 0 HG22 ILE A 99 16.111 2.327 -12.698 1.00 0.00 H new ATOM 0 HG23 ILE A 99 14.993 3.569 -13.311 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.221 6.357 -11.461 1.00 0.00 H new ATOM 0 HD12 ILE A 99 13.676 5.237 -12.767 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.633 4.677 -11.438 1.00 0.00 H new ATOM 1614 N ALA A 100 15.200 0.823 -9.877 1.00 0.00 N ATOM 1615 CA ALA A 100 15.824 -0.472 -9.660 1.00 0.00 C ATOM 1616 C ALA A 100 14.789 -1.573 -9.501 1.00 0.00 C ATOM 1617 O ALA A 100 15.131 -2.744 -9.322 1.00 0.00 O ATOM 1618 CB ALA A 100 16.724 -0.408 -8.440 1.00 0.00 C ATOM 0 H ALA A 100 15.326 1.482 -9.109 1.00 0.00 H new ATOM 0 HA ALA A 100 16.422 -0.713 -10.539 1.00 0.00 H new ATOM 0 HB1 ALA A 100 17.190 -1.380 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 100 17.497 0.344 -8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 100 16.132 -0.141 -7.565 1.00 0.00 H new ATOM 1624 N LYS A 101 13.529 -1.189 -9.545 1.00 0.00 N ATOM 1625 CA LYS A 101 12.441 -2.113 -9.384 1.00 0.00 C ATOM 1626 C LYS A 101 11.682 -2.348 -10.686 1.00 0.00 C ATOM 1627 O LYS A 101 11.478 -3.487 -11.108 1.00 0.00 O ATOM 1628 CB LYS A 101 11.519 -1.547 -8.332 1.00 0.00 C ATOM 1629 CG LYS A 101 12.195 -1.355 -6.990 1.00 0.00 C ATOM 1630 CD LYS A 101 11.967 -2.544 -6.081 1.00 0.00 C ATOM 1631 CE LYS A 101 13.271 -3.249 -5.743 1.00 0.00 C ATOM 1632 NZ LYS A 101 13.053 -4.434 -4.870 1.00 0.00 N ATOM 0 H LYS A 101 13.237 -0.223 -9.694 1.00 0.00 H new ATOM 0 HA LYS A 101 12.835 -3.083 -9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.130 -0.589 -8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.665 -2.213 -8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.265 -1.208 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.812 -0.452 -6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.483 -2.213 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.287 -3.246 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.763 -3.562 -6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.943 -2.550 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.967 -4.886 -4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.607 -4.132 -3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.433 -5.113 -5.355 1.00 0.00 H new ATOM 1646 N GLY A 102 11.252 -1.257 -11.300 1.00 0.00 N ATOM 1647 CA GLY A 102 10.493 -1.339 -12.539 1.00 0.00 C ATOM 1648 C GLY A 102 9.047 -1.720 -12.281 1.00 0.00 C ATOM 1649 O GLY A 102 8.466 -2.527 -13.005 1.00 0.00 O ATOM 0 H GLY A 102 11.414 -0.308 -10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.531 -0.379 -13.054 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.952 -2.074 -13.200 1.00 0.00 H new ATOM 1653 N LEU A 103 8.484 -1.150 -11.221 1.00 0.00 N ATOM 1654 CA LEU A 103 7.107 -1.436 -10.819 1.00 0.00 C ATOM 1655 C LEU A 103 6.177 -0.253 -11.078 1.00 0.00 C ATOM 1656 O LEU A 103 5.254 0.004 -10.306 1.00 0.00 O ATOM 1657 CB LEU A 103 7.074 -1.813 -9.334 1.00 0.00 C ATOM 1658 CG LEU A 103 8.335 -1.455 -8.558 1.00 0.00 C ATOM 1659 CD1 LEU A 103 8.427 0.052 -8.376 1.00 0.00 C ATOM 1660 CD2 LEU A 103 8.361 -2.171 -7.218 1.00 0.00 C ATOM 0 H LEU A 103 8.963 -0.481 -10.618 1.00 0.00 H new ATOM 0 HA LEU A 103 6.749 -2.270 -11.423 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.223 -1.318 -8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.904 -2.886 -9.249 1.00 0.00 H new ATOM 0 HG LEU A 103 9.204 -1.785 -9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.332 0.297 -7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.459 0.535 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.556 0.406 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.270 -1.902 -6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.491 -1.877 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.341 -3.249 -7.381 1.00 0.00 H new