USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 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 119 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 122 THR OG1 : rot -140:sc= -0.537 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 65:sc= 0.496 USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -159:sc= -1.14 USER MOD Single : A 100 GLN : amide:sc= -0.259 K(o=-0.26,f=-2.3!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.01) USER MOD Single : A 105 MET CE :methyl 150:sc= -2.56! (180deg=-3.35!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -142:sc= 1.35 USER MOD Single : A 131 ASN : amide:sc= -2.42! C(o=-2.4!,f=-5.8!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 78 16.222 3.142 4.704 1.00 0.00 N ATOM 2 CA SER A 78 16.890 3.100 3.372 1.00 0.00 C ATOM 3 C SER A 78 16.861 1.678 2.810 1.00 0.00 C ATOM 4 O SER A 78 16.893 0.710 3.545 1.00 0.00 O ATOM 5 CB SER A 78 18.330 3.536 3.632 1.00 0.00 C ATOM 6 OG SER A 78 18.412 4.953 3.566 1.00 0.00 O ATOM 0 HA SER A 78 16.393 3.743 2.645 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.656 3.187 4.612 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.996 3.087 2.895 1.00 0.00 H new ATOM 0 HG SER A 78 19.335 5.235 3.734 1.00 0.00 H new ATOM 12 N GLU A 79 16.798 1.545 1.507 1.00 0.00 N ATOM 13 CA GLU A 79 16.766 0.186 0.873 1.00 0.00 C ATOM 14 C GLU A 79 15.665 -0.682 1.497 1.00 0.00 C ATOM 15 O GLU A 79 15.936 -1.650 2.183 1.00 0.00 O ATOM 16 CB GLU A 79 18.147 -0.420 1.134 1.00 0.00 C ATOM 17 CG GLU A 79 18.520 -1.356 -0.019 1.00 0.00 C ATOM 18 CD GLU A 79 19.397 -0.607 -1.024 1.00 0.00 C ATOM 19 OE1 GLU A 79 18.891 0.307 -1.655 1.00 0.00 O ATOM 20 OE2 GLU A 79 20.557 -0.961 -1.148 1.00 0.00 O ATOM 0 H GLU A 79 16.767 2.324 0.850 1.00 0.00 H new ATOM 0 HA GLU A 79 16.546 0.245 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.891 0.371 1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 79 18.143 -0.969 2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.051 -2.228 0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.618 -1.722 -0.510 1.00 0.00 H new ATOM 27 N ASP A 80 14.430 -0.332 1.258 1.00 0.00 N ATOM 28 CA ASP A 80 13.293 -1.115 1.827 1.00 0.00 C ATOM 29 C ASP A 80 12.193 -1.257 0.773 1.00 0.00 C ATOM 30 O ASP A 80 12.413 -0.996 -0.396 1.00 0.00 O ATOM 31 CB ASP A 80 12.801 -0.272 3.010 1.00 0.00 C ATOM 32 CG ASP A 80 13.692 -0.498 4.240 1.00 0.00 C ATOM 33 OD1 ASP A 80 14.505 -1.411 4.215 1.00 0.00 O ATOM 34 OD2 ASP A 80 13.543 0.252 5.191 1.00 0.00 O ATOM 0 H ASP A 80 14.157 0.469 0.689 1.00 0.00 H new ATOM 0 HA ASP A 80 13.578 -2.121 2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.807 0.784 2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.770 -0.535 3.247 1.00 0.00 H new ATOM 39 N ILE A 81 11.008 -1.647 1.175 1.00 0.00 N ATOM 40 CA ILE A 81 9.897 -1.776 0.190 1.00 0.00 C ATOM 41 C ILE A 81 8.700 -0.925 0.629 1.00 0.00 C ATOM 42 O ILE A 81 7.599 -1.410 0.734 1.00 0.00 O ATOM 43 CB ILE A 81 9.539 -3.269 0.130 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.014 -3.764 1.511 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.772 -4.062 -0.344 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.104 -4.473 2.340 1.00 0.00 C ATOM 0 H ILE A 81 10.766 -1.880 2.138 1.00 0.00 H new ATOM 0 HA ILE A 81 10.189 -1.417 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 81 8.733 -3.430 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.629 -2.914 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.179 -4.448 1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.527 -5.123 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.069 -3.715 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.594 -3.909 0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.684 -4.797 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.472 -5.340 1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.928 -3.783 2.523 1.00 0.00 H new ATOM 58 N ILE A 82 8.901 0.349 0.874 1.00 0.00 N ATOM 59 CA ILE A 82 7.751 1.213 1.293 1.00 0.00 C ATOM 60 C ILE A 82 7.271 2.023 0.099 1.00 0.00 C ATOM 61 O ILE A 82 8.028 2.306 -0.804 1.00 0.00 O ATOM 62 CB ILE A 82 8.273 2.131 2.400 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.882 1.283 3.526 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.104 2.956 2.955 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.619 2.180 4.522 1.00 0.00 C ATOM 0 H ILE A 82 9.801 0.823 0.803 1.00 0.00 H new ATOM 0 HA ILE A 82 6.909 0.623 1.655 1.00 0.00 H new ATOM 0 HB ILE A 82 9.037 2.796 1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.097 0.727 4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.571 0.549 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.466 3.614 3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.669 3.555 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.346 2.286 3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.047 1.568 5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.417 2.716 4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.920 2.896 4.953 1.00 0.00 H new ATOM 77 N VAL A 83 6.018 2.380 0.069 1.00 0.00 N ATOM 78 CA VAL A 83 5.506 3.149 -1.094 1.00 0.00 C ATOM 79 C VAL A 83 4.627 4.319 -0.638 1.00 0.00 C ATOM 80 O VAL A 83 4.351 4.484 0.535 1.00 0.00 O ATOM 81 CB VAL A 83 4.678 2.132 -1.897 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.565 0.950 -2.314 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.507 1.618 -1.046 1.00 0.00 C ATOM 0 H VAL A 83 5.332 2.174 0.795 1.00 0.00 H new ATOM 0 HA VAL A 83 6.313 3.586 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 83 4.286 2.623 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.972 0.233 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.387 1.312 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.966 0.465 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.926 0.898 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.894 1.136 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.869 2.455 -0.762 1.00 0.00 H new ATOM 93 N VAL A 84 4.154 5.105 -1.572 1.00 0.00 N ATOM 94 CA VAL A 84 3.256 6.236 -1.211 1.00 0.00 C ATOM 95 C VAL A 84 1.995 6.164 -2.077 1.00 0.00 C ATOM 96 O VAL A 84 2.062 6.187 -3.293 1.00 0.00 O ATOM 97 CB VAL A 84 4.051 7.546 -1.448 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.122 7.910 -2.938 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.348 8.687 -0.709 1.00 0.00 C ATOM 0 H VAL A 84 4.353 5.010 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 84 2.939 6.195 -0.169 1.00 0.00 H new ATOM 0 HB VAL A 84 5.066 7.395 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.687 8.834 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.616 7.107 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.113 8.048 -3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.897 9.615 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.333 8.796 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.313 8.463 0.357 1.00 0.00 H new ATOM 109 N ALA A 85 0.851 6.073 -1.462 1.00 0.00 N ATOM 110 CA ALA A 85 -0.404 6.009 -2.252 1.00 0.00 C ATOM 111 C ALA A 85 -0.603 7.355 -2.944 1.00 0.00 C ATOM 112 O ALA A 85 -0.710 8.381 -2.289 1.00 0.00 O ATOM 113 CB ALA A 85 -1.504 5.754 -1.232 1.00 0.00 C ATOM 0 H ALA A 85 0.732 6.040 -0.449 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.396 5.234 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.466 5.694 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.309 4.815 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.527 6.570 -0.510 1.00 0.00 H new ATOM 119 N LEU A 86 -0.632 7.357 -4.256 1.00 0.00 N ATOM 120 CA LEU A 86 -0.790 8.639 -5.007 1.00 0.00 C ATOM 121 C LEU A 86 -2.257 8.913 -5.346 1.00 0.00 C ATOM 122 O LEU A 86 -2.566 9.903 -5.977 1.00 0.00 O ATOM 123 CB LEU A 86 0.011 8.445 -6.293 1.00 0.00 C ATOM 124 CG LEU A 86 1.479 8.771 -6.025 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.326 8.371 -7.236 1.00 0.00 C ATOM 126 CD2 LEU A 86 1.630 10.272 -5.775 1.00 0.00 C ATOM 0 H LEU A 86 -0.553 6.523 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.444 9.488 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.087 7.418 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.379 9.091 -7.080 1.00 0.00 H new ATOM 0 HG LEU A 86 1.816 8.218 -5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.373 8.605 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.221 7.301 -7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.988 8.922 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.677 10.505 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.290 10.823 -6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.031 10.559 -4.911 1.00 0.00 H new ATOM 138 N TYR A 87 -3.160 8.054 -4.937 1.00 0.00 N ATOM 139 CA TYR A 87 -4.614 8.285 -5.225 1.00 0.00 C ATOM 140 C TYR A 87 -5.447 7.619 -4.128 1.00 0.00 C ATOM 141 O TYR A 87 -5.025 6.648 -3.526 1.00 0.00 O ATOM 142 CB TYR A 87 -4.909 7.643 -6.586 1.00 0.00 C ATOM 143 CG TYR A 87 -3.975 8.198 -7.631 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.284 9.392 -8.290 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.789 7.519 -7.925 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.402 9.910 -9.246 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.908 8.033 -8.881 1.00 0.00 C ATOM 148 CZ TYR A 87 -2.213 9.230 -9.542 1.00 0.00 C ATOM 149 OH TYR A 87 -1.344 9.742 -10.485 1.00 0.00 O ATOM 0 H TYR A 87 -2.954 7.202 -4.416 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.859 9.347 -5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.793 6.561 -6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.943 7.835 -6.872 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.202 9.914 -8.062 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.553 6.597 -7.414 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.638 10.833 -9.755 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.993 7.508 -9.110 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.568 9.150 -10.570 1.00 0.00 H new ATOM 159 N ASP A 88 -6.611 8.142 -3.848 1.00 0.00 N ATOM 160 CA ASP A 88 -7.460 7.543 -2.773 1.00 0.00 C ATOM 161 C ASP A 88 -7.948 6.151 -3.199 1.00 0.00 C ATOM 162 O ASP A 88 -8.212 5.916 -4.362 1.00 0.00 O ATOM 163 CB ASP A 88 -8.646 8.494 -2.602 1.00 0.00 C ATOM 164 CG ASP A 88 -8.160 9.825 -2.023 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.626 9.813 -0.926 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.330 10.833 -2.689 1.00 0.00 O ATOM 0 H ASP A 88 -7.011 8.956 -4.315 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.907 7.421 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.133 8.660 -3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.389 8.049 -1.941 1.00 0.00 H new ATOM 171 N TYR A 89 -8.074 5.230 -2.269 1.00 0.00 N ATOM 172 CA TYR A 89 -8.555 3.853 -2.632 1.00 0.00 C ATOM 173 C TYR A 89 -9.275 3.199 -1.448 1.00 0.00 C ATOM 174 O TYR A 89 -8.744 3.121 -0.356 1.00 0.00 O ATOM 175 CB TYR A 89 -7.301 3.059 -2.985 1.00 0.00 C ATOM 176 CG TYR A 89 -7.711 1.707 -3.512 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.314 1.602 -4.770 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.516 0.561 -2.730 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.719 0.352 -5.250 1.00 0.00 C ATOM 180 CE2 TYR A 89 -7.925 -0.691 -3.209 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.527 -0.793 -4.470 1.00 0.00 C ATOM 182 OH TYR A 89 -8.928 -2.024 -4.944 1.00 0.00 O ATOM 0 H TYR A 89 -7.866 5.370 -1.280 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.265 3.886 -3.459 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.715 3.593 -3.733 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.667 2.944 -2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.467 2.486 -5.371 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.051 0.642 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.180 0.271 -6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.776 -1.575 -2.607 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.400 -2.257 -5.736 1.00 0.00 H new ATOM 192 N GLU A 90 -10.478 2.729 -1.663 1.00 0.00 N ATOM 193 CA GLU A 90 -11.253 2.084 -0.556 1.00 0.00 C ATOM 194 C GLU A 90 -11.085 0.556 -0.551 1.00 0.00 C ATOM 195 O GLU A 90 -11.154 -0.096 -1.574 1.00 0.00 O ATOM 196 CB GLU A 90 -12.703 2.449 -0.849 1.00 0.00 C ATOM 197 CG GLU A 90 -13.528 2.330 0.433 1.00 0.00 C ATOM 198 CD GLU A 90 -14.816 3.149 0.295 1.00 0.00 C ATOM 199 OE1 GLU A 90 -14.789 4.151 -0.401 1.00 0.00 O ATOM 200 OE2 GLU A 90 -15.809 2.761 0.890 1.00 0.00 O ATOM 0 H GLU A 90 -10.960 2.764 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.911 2.425 0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.762 3.465 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.107 1.789 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.769 1.285 0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.948 2.686 1.285 1.00 0.00 H new ATOM 207 N ALA A 91 -10.876 -0.007 0.612 1.00 0.00 N ATOM 208 CA ALA A 91 -10.711 -1.492 0.734 1.00 0.00 C ATOM 209 C ALA A 91 -11.966 -2.222 0.242 1.00 0.00 C ATOM 210 O ALA A 91 -13.078 -1.781 0.460 1.00 0.00 O ATOM 211 CB ALA A 91 -10.503 -1.751 2.229 1.00 0.00 C ATOM 0 H ALA A 91 -10.812 0.503 1.493 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.878 -1.855 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.374 -2.820 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.614 -1.220 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.372 -1.398 2.784 1.00 0.00 H new ATOM 217 N ILE A 92 -11.787 -3.336 -0.416 1.00 0.00 N ATOM 218 CA ILE A 92 -12.949 -4.118 -0.930 1.00 0.00 C ATOM 219 C ILE A 92 -12.791 -5.600 -0.548 1.00 0.00 C ATOM 220 O ILE A 92 -13.666 -6.187 0.055 1.00 0.00 O ATOM 221 CB ILE A 92 -12.897 -3.936 -2.455 1.00 0.00 C ATOM 222 CG1 ILE A 92 -13.051 -2.450 -2.797 1.00 0.00 C ATOM 223 CG2 ILE A 92 -14.031 -4.720 -3.119 1.00 0.00 C ATOM 224 CD1 ILE A 92 -12.638 -2.212 -4.250 1.00 0.00 C ATOM 0 H ILE A 92 -10.874 -3.742 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 92 -13.900 -3.785 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 92 -11.940 -4.306 -2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -14.084 -2.137 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -12.435 -1.847 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -13.984 -4.583 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -13.928 -5.779 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -14.990 -4.357 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -12.748 -1.155 -4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -11.598 -2.509 -4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -13.273 -2.803 -4.910 1.00 0.00 H new ATOM 236 N HIS A 93 -11.681 -6.201 -0.905 1.00 0.00 N ATOM 237 CA HIS A 93 -11.459 -7.654 -0.586 1.00 0.00 C ATOM 238 C HIS A 93 -11.312 -7.894 0.920 1.00 0.00 C ATOM 239 O HIS A 93 -11.318 -6.975 1.714 1.00 0.00 O ATOM 240 CB HIS A 93 -10.154 -8.019 -1.287 1.00 0.00 C ATOM 241 CG HIS A 93 -10.439 -8.375 -2.715 1.00 0.00 C ATOM 242 ND1 HIS A 93 -10.288 -9.665 -3.194 1.00 0.00 N ATOM 243 CD2 HIS A 93 -10.885 -7.629 -3.777 1.00 0.00 C ATOM 244 CE1 HIS A 93 -10.638 -9.660 -4.493 1.00 0.00 C ATOM 245 NE2 HIS A 93 -11.010 -8.443 -4.898 1.00 0.00 N ATOM 0 H HIS A 93 -10.915 -5.749 -1.405 1.00 0.00 H new ATOM 0 HA HIS A 93 -12.307 -8.255 -0.914 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.457 -7.182 -1.241 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -9.678 -8.858 -0.779 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -11.105 -6.572 -3.747 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -10.620 -10.532 -5.130 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -11.320 -8.169 -5.830 1.00 0.00 H new ATOM 253 N HIS A 94 -11.169 -9.141 1.305 1.00 0.00 N ATOM 254 CA HIS A 94 -11.011 -9.486 2.754 1.00 0.00 C ATOM 255 C HIS A 94 -9.793 -8.758 3.344 1.00 0.00 C ATOM 256 O HIS A 94 -9.926 -7.931 4.226 1.00 0.00 O ATOM 257 CB HIS A 94 -10.806 -11.010 2.777 1.00 0.00 C ATOM 258 CG HIS A 94 -12.112 -11.687 3.095 1.00 0.00 C ATOM 259 ND1 HIS A 94 -12.958 -12.165 2.105 1.00 0.00 N ATOM 260 CD2 HIS A 94 -12.742 -11.954 4.286 1.00 0.00 C ATOM 261 CE1 HIS A 94 -14.041 -12.686 2.714 1.00 0.00 C ATOM 262 NE2 HIS A 94 -13.960 -12.582 4.042 1.00 0.00 N ATOM 0 H HIS A 94 -11.155 -9.940 0.672 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.872 -9.185 3.351 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -10.432 -11.352 1.812 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.056 -11.276 3.522 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -12.351 -11.713 5.264 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -14.873 -13.133 2.191 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -14.644 -12.896 4.731 1.00 0.00 H new ATOM 270 N GLU A 95 -8.610 -9.052 2.854 1.00 0.00 N ATOM 271 CA GLU A 95 -7.390 -8.364 3.378 1.00 0.00 C ATOM 272 C GLU A 95 -7.092 -7.124 2.530 1.00 0.00 C ATOM 273 O GLU A 95 -5.974 -6.910 2.113 1.00 0.00 O ATOM 274 CB GLU A 95 -6.246 -9.377 3.248 1.00 0.00 C ATOM 275 CG GLU A 95 -5.190 -9.122 4.338 1.00 0.00 C ATOM 276 CD GLU A 95 -5.800 -9.398 5.713 1.00 0.00 C ATOM 277 OE1 GLU A 95 -6.460 -10.415 5.851 1.00 0.00 O ATOM 278 OE2 GLU A 95 -5.592 -8.592 6.606 1.00 0.00 O ATOM 0 H GLU A 95 -8.439 -9.736 2.117 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.520 -8.039 4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.635 -10.391 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.789 -9.297 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.324 -9.764 4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.838 -8.092 4.285 1.00 0.00 H new ATOM 285 N ASP A 96 -8.084 -6.309 2.270 1.00 0.00 N ATOM 286 CA ASP A 96 -7.847 -5.084 1.450 1.00 0.00 C ATOM 287 C ASP A 96 -7.710 -3.863 2.368 1.00 0.00 C ATOM 288 O ASP A 96 -8.440 -3.719 3.328 1.00 0.00 O ATOM 289 CB ASP A 96 -9.064 -4.960 0.536 1.00 0.00 C ATOM 290 CG ASP A 96 -8.613 -4.389 -0.812 1.00 0.00 C ATOM 291 OD1 ASP A 96 -8.079 -3.292 -0.819 1.00 0.00 O ATOM 292 OD2 ASP A 96 -8.812 -5.056 -1.814 1.00 0.00 O ATOM 0 H ASP A 96 -9.044 -6.439 2.589 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.928 -5.144 0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.531 -5.935 0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.812 -4.310 0.990 1.00 0.00 H new ATOM 297 N LEU A 97 -6.763 -2.997 2.091 1.00 0.00 N ATOM 298 CA LEU A 97 -6.560 -1.792 2.960 1.00 0.00 C ATOM 299 C LEU A 97 -6.909 -0.505 2.200 1.00 0.00 C ATOM 300 O LEU A 97 -6.531 -0.331 1.057 1.00 0.00 O ATOM 301 CB LEU A 97 -5.069 -1.818 3.318 1.00 0.00 C ATOM 302 CG LEU A 97 -4.766 -0.765 4.390 1.00 0.00 C ATOM 303 CD1 LEU A 97 -5.519 -1.101 5.675 1.00 0.00 C ATOM 304 CD2 LEU A 97 -3.262 -0.750 4.673 1.00 0.00 C ATOM 0 H LEU A 97 -6.122 -3.072 1.301 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.199 -1.811 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.791 -2.808 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.470 -1.625 2.428 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.085 0.214 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.299 -0.349 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.591 -1.113 5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.205 -2.081 6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.043 -0.002 5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.949 -1.732 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.722 -0.505 3.758 1.00 0.00 H new ATOM 316 N SER A 98 -7.618 0.402 2.832 1.00 0.00 N ATOM 317 CA SER A 98 -7.982 1.681 2.148 1.00 0.00 C ATOM 318 C SER A 98 -6.967 2.767 2.486 1.00 0.00 C ATOM 319 O SER A 98 -6.785 3.122 3.636 1.00 0.00 O ATOM 320 CB SER A 98 -9.345 2.077 2.707 1.00 0.00 C ATOM 321 OG SER A 98 -10.143 0.917 2.893 1.00 0.00 O ATOM 0 H SER A 98 -7.958 0.310 3.789 1.00 0.00 H new ATOM 0 HA SER A 98 -7.998 1.560 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.222 2.601 3.655 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.842 2.766 2.024 1.00 0.00 H new ATOM 0 HG SER A 98 -11.089 1.172 2.925 1.00 0.00 H new ATOM 327 N PHE A 99 -6.324 3.308 1.488 1.00 0.00 N ATOM 328 CA PHE A 99 -5.325 4.396 1.732 1.00 0.00 C ATOM 329 C PHE A 99 -5.804 5.700 1.087 1.00 0.00 C ATOM 330 O PHE A 99 -6.948 5.811 0.674 1.00 0.00 O ATOM 331 CB PHE A 99 -3.991 3.919 1.131 1.00 0.00 C ATOM 332 CG PHE A 99 -4.156 3.389 -0.279 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.255 4.279 -1.354 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.179 2.005 -0.514 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.377 3.790 -2.658 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.298 1.518 -1.821 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.397 2.411 -2.892 1.00 0.00 C ATOM 0 H PHE A 99 -6.445 3.045 0.510 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.201 4.598 2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.280 4.746 1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.568 3.139 1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.237 5.344 -1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.105 1.316 0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.456 4.478 -3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.313 0.453 -2.002 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.489 2.036 -3.901 1.00 0.00 H new ATOM 347 N GLN A 100 -4.955 6.699 1.023 1.00 0.00 N ATOM 348 CA GLN A 100 -5.388 7.997 0.430 1.00 0.00 C ATOM 349 C GLN A 100 -4.451 8.458 -0.695 1.00 0.00 C ATOM 350 O GLN A 100 -3.517 7.785 -1.072 1.00 0.00 O ATOM 351 CB GLN A 100 -5.389 8.996 1.598 1.00 0.00 C ATOM 352 CG GLN A 100 -6.791 9.601 1.749 1.00 0.00 C ATOM 353 CD GLN A 100 -7.101 9.843 3.228 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.573 9.169 4.089 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.942 10.785 3.560 1.00 0.00 N ATOM 0 H GLN A 100 -3.990 6.669 1.353 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.371 7.910 -0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.096 8.495 2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.658 9.784 1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.852 10.539 1.198 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.534 8.930 1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.385 11.351 2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.156 10.955 4.543 1.00 0.00 H new ATOM 364 N LYS A 101 -4.767 9.586 -1.266 1.00 0.00 N ATOM 365 CA LYS A 101 -3.989 10.135 -2.426 1.00 0.00 C ATOM 366 C LYS A 101 -2.515 10.429 -2.153 1.00 0.00 C ATOM 367 O LYS A 101 -1.722 10.521 -3.070 1.00 0.00 O ATOM 368 CB LYS A 101 -4.709 11.416 -2.789 1.00 0.00 C ATOM 369 CG LYS A 101 -4.223 11.885 -4.151 1.00 0.00 C ATOM 370 CD LYS A 101 -5.380 12.546 -4.895 1.00 0.00 C ATOM 371 CE LYS A 101 -6.380 11.472 -5.344 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.486 12.233 -5.998 1.00 0.00 N ATOM 0 H LYS A 101 -5.551 10.169 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.957 9.387 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.786 11.250 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.519 12.182 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.400 12.590 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.841 11.041 -4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.875 13.271 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.005 13.093 -5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.920 10.768 -6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.745 10.892 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.213 11.569 -6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.908 12.891 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.108 12.770 -6.805 1.00 0.00 H new ATOM 386 N GLY A 102 -2.152 10.611 -0.938 1.00 0.00 N ATOM 387 CA GLY A 102 -0.724 10.930 -0.614 1.00 0.00 C ATOM 388 C GLY A 102 -0.342 10.212 0.668 1.00 0.00 C ATOM 389 O GLY A 102 0.322 10.758 1.527 1.00 0.00 O ATOM 0 H GLY A 102 -2.775 10.556 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.073 10.617 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.595 12.006 -0.497 1.00 0.00 H new ATOM 393 N ASP A 103 -0.774 8.992 0.797 1.00 0.00 N ATOM 394 CA ASP A 103 -0.460 8.214 2.042 1.00 0.00 C ATOM 395 C ASP A 103 0.841 7.425 1.898 1.00 0.00 C ATOM 396 O ASP A 103 1.398 7.323 0.831 1.00 0.00 O ATOM 397 CB ASP A 103 -1.644 7.263 2.239 1.00 0.00 C ATOM 398 CG ASP A 103 -2.704 7.944 3.107 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.966 9.113 2.878 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.232 7.286 3.988 1.00 0.00 O ATOM 0 H ASP A 103 -1.330 8.494 0.102 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.319 8.878 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.070 6.990 1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.309 6.340 2.712 1.00 0.00 H new ATOM 405 N GLN A 104 1.307 6.845 2.973 1.00 0.00 N ATOM 406 CA GLN A 104 2.549 6.026 2.920 1.00 0.00 C ATOM 407 C GLN A 104 2.268 4.655 3.520 1.00 0.00 C ATOM 408 O GLN A 104 1.688 4.541 4.584 1.00 0.00 O ATOM 409 CB GLN A 104 3.589 6.771 3.757 1.00 0.00 C ATOM 410 CG GLN A 104 4.390 7.729 2.864 1.00 0.00 C ATOM 411 CD GLN A 104 5.883 7.569 3.167 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.553 8.523 3.513 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.434 6.388 3.057 1.00 0.00 N ATOM 0 H GLN A 104 0.874 6.906 3.894 1.00 0.00 H new ATOM 0 HA GLN A 104 2.903 5.883 1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.096 7.329 4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.261 6.059 4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.195 7.515 1.813 1.00 0.00 H new ATOM 0 HG3 GLN A 104 4.079 8.758 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.872 5.588 2.767 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.426 6.267 3.261 1.00 0.00 H new ATOM 422 N MET A 105 2.674 3.618 2.847 1.00 0.00 N ATOM 423 CA MET A 105 2.438 2.241 3.363 1.00 0.00 C ATOM 424 C MET A 105 3.676 1.391 3.117 1.00 0.00 C ATOM 425 O MET A 105 4.412 1.616 2.177 1.00 0.00 O ATOM 426 CB MET A 105 1.248 1.713 2.552 1.00 0.00 C ATOM 427 CG MET A 105 0.020 2.600 2.800 1.00 0.00 C ATOM 428 SD MET A 105 -0.198 3.763 1.427 1.00 0.00 S ATOM 429 CE MET A 105 -0.711 2.555 0.180 1.00 0.00 C ATOM 0 H MET A 105 3.164 3.664 1.953 1.00 0.00 H new ATOM 0 HA MET A 105 2.235 2.219 4.434 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.494 1.704 1.490 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.029 0.684 2.837 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.870 1.980 2.906 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.140 3.148 3.735 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.380 3.033 -0.536 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.167 2.176 -0.342 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.229 1.728 0.666 1.00 0.00 H new ATOM 439 N VAL A 106 3.912 0.420 3.951 1.00 0.00 N ATOM 440 CA VAL A 106 5.102 -0.455 3.760 1.00 0.00 C ATOM 441 C VAL A 106 4.656 -1.696 3.007 1.00 0.00 C ATOM 442 O VAL A 106 3.530 -2.116 3.117 1.00 0.00 O ATOM 443 CB VAL A 106 5.581 -0.834 5.166 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.884 -1.624 5.077 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.813 0.430 6.006 1.00 0.00 C ATOM 0 H VAL A 106 3.332 0.193 4.759 1.00 0.00 H new ATOM 0 HA VAL A 106 5.899 0.032 3.199 1.00 0.00 H new ATOM 0 HB VAL A 106 4.814 -1.446 5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.218 -1.889 6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.720 -2.532 4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.646 -1.015 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.153 0.147 7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.570 1.051 5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.881 0.990 6.086 1.00 0.00 H new ATOM 455 N VAL A 107 5.522 -2.294 2.255 1.00 0.00 N ATOM 456 CA VAL A 107 5.117 -3.518 1.508 1.00 0.00 C ATOM 457 C VAL A 107 5.500 -4.756 2.320 1.00 0.00 C ATOM 458 O VAL A 107 6.566 -4.842 2.897 1.00 0.00 O ATOM 459 CB VAL A 107 5.832 -3.461 0.154 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.473 -4.698 -0.668 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.369 -2.211 -0.600 1.00 0.00 C ATOM 0 H VAL A 107 6.488 -1.997 2.121 1.00 0.00 H new ATOM 0 HA VAL A 107 4.040 -3.571 1.346 1.00 0.00 H new ATOM 0 HB VAL A 107 6.910 -3.428 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 107 5.982 -4.656 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.785 -5.594 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.395 -4.728 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.872 -2.161 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.291 -2.258 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.614 -1.323 -0.017 1.00 0.00 H new ATOM 471 N LEU A 108 4.618 -5.704 2.358 1.00 0.00 N ATOM 472 CA LEU A 108 4.855 -6.963 3.114 1.00 0.00 C ATOM 473 C LEU A 108 5.409 -8.021 2.156 1.00 0.00 C ATOM 474 O LEU A 108 6.177 -8.887 2.533 1.00 0.00 O ATOM 475 CB LEU A 108 3.456 -7.390 3.589 1.00 0.00 C ATOM 476 CG LEU A 108 3.005 -6.558 4.795 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.282 -5.314 4.315 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.036 -7.385 5.651 1.00 0.00 C ATOM 0 H LEU A 108 3.716 -5.661 1.884 1.00 0.00 H new ATOM 0 HA LEU A 108 5.560 -6.841 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.741 -7.273 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.466 -8.447 3.856 1.00 0.00 H new ATOM 0 HG LEU A 108 3.880 -6.277 5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.963 -4.724 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.954 -4.719 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.410 -5.603 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.714 -6.795 6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.167 -7.660 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.538 -8.288 5.999 1.00 0.00 H new ATOM 490 N GLU A 109 5.013 -7.941 0.914 1.00 0.00 N ATOM 491 CA GLU A 109 5.483 -8.915 -0.107 1.00 0.00 C ATOM 492 C GLU A 109 5.373 -8.287 -1.500 1.00 0.00 C ATOM 493 O GLU A 109 4.686 -7.301 -1.689 1.00 0.00 O ATOM 494 CB GLU A 109 4.535 -10.110 0.010 1.00 0.00 C ATOM 495 CG GLU A 109 4.930 -10.977 1.208 1.00 0.00 C ATOM 496 CD GLU A 109 4.378 -12.390 1.007 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.528 -12.913 -0.085 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.807 -12.923 1.944 1.00 0.00 O ATOM 0 H GLU A 109 4.373 -7.229 0.561 1.00 0.00 H new ATOM 0 HA GLU A 109 6.522 -9.208 0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.509 -9.761 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.569 -10.702 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.015 -11.008 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.537 -10.547 2.129 1.00 0.00 H new ATOM 505 N GLU A 110 6.029 -8.862 -2.471 1.00 0.00 N ATOM 506 CA GLU A 110 5.960 -8.322 -3.866 1.00 0.00 C ATOM 507 C GLU A 110 5.113 -9.263 -4.740 1.00 0.00 C ATOM 508 O GLU A 110 5.438 -10.424 -4.895 1.00 0.00 O ATOM 509 CB GLU A 110 7.416 -8.305 -4.346 1.00 0.00 C ATOM 510 CG GLU A 110 7.721 -6.973 -5.040 1.00 0.00 C ATOM 511 CD GLU A 110 9.150 -6.545 -4.705 1.00 0.00 C ATOM 512 OE1 GLU A 110 9.991 -7.417 -4.560 1.00 0.00 O ATOM 513 OE2 GLU A 110 9.379 -5.352 -4.597 1.00 0.00 O ATOM 0 H GLU A 110 6.615 -9.689 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 110 5.502 -7.334 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.089 -8.447 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.591 -9.132 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.603 -7.076 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.014 -6.210 -4.714 1.00 0.00 H new ATOM 520 N SER A 111 4.031 -8.780 -5.305 1.00 0.00 N ATOM 521 CA SER A 111 3.173 -9.663 -6.160 1.00 0.00 C ATOM 522 C SER A 111 3.284 -9.267 -7.638 1.00 0.00 C ATOM 523 O SER A 111 3.949 -9.928 -8.413 1.00 0.00 O ATOM 524 CB SER A 111 1.748 -9.462 -5.647 1.00 0.00 C ATOM 525 OG SER A 111 0.830 -9.971 -6.604 1.00 0.00 O ATOM 0 H SER A 111 3.706 -7.818 -5.212 1.00 0.00 H new ATOM 0 HA SER A 111 3.480 -10.707 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.617 -9.972 -4.693 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.558 -8.403 -5.471 1.00 0.00 H new ATOM 0 HG SER A 111 -0.086 -9.845 -6.278 1.00 0.00 H new ATOM 531 N GLY A 112 2.640 -8.196 -8.034 1.00 0.00 N ATOM 532 CA GLY A 112 2.706 -7.750 -9.459 1.00 0.00 C ATOM 533 C GLY A 112 1.904 -6.455 -9.618 1.00 0.00 C ATOM 534 O GLY A 112 2.443 -5.368 -9.523 1.00 0.00 O ATOM 0 H GLY A 112 2.068 -7.609 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.743 -7.589 -9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.305 -8.523 -10.114 1.00 0.00 H new ATOM 538 N GLU A 113 0.618 -6.565 -9.837 1.00 0.00 N ATOM 539 CA GLU A 113 -0.234 -5.345 -9.984 1.00 0.00 C ATOM 540 C GLU A 113 -0.904 -5.008 -8.646 1.00 0.00 C ATOM 541 O GLU A 113 -1.340 -3.894 -8.424 1.00 0.00 O ATOM 542 CB GLU A 113 -1.283 -5.717 -11.032 1.00 0.00 C ATOM 543 CG GLU A 113 -0.865 -5.158 -12.392 1.00 0.00 C ATOM 544 CD GLU A 113 -1.330 -3.707 -12.511 1.00 0.00 C ATOM 545 OE1 GLU A 113 -2.394 -3.402 -11.998 1.00 0.00 O ATOM 546 OE2 GLU A 113 -0.614 -2.922 -13.111 1.00 0.00 O ATOM 0 H GLU A 113 0.119 -7.451 -9.921 1.00 0.00 H new ATOM 0 HA GLU A 113 0.343 -4.469 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.388 -6.800 -11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.256 -5.317 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 113 0.218 -5.214 -12.503 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.299 -5.757 -13.192 1.00 0.00 H new ATOM 553 N TRP A 114 -0.999 -5.970 -7.760 1.00 0.00 N ATOM 554 CA TRP A 114 -1.638 -5.734 -6.433 1.00 0.00 C ATOM 555 C TRP A 114 -0.675 -6.194 -5.325 1.00 0.00 C ATOM 556 O TRP A 114 -0.520 -7.379 -5.101 1.00 0.00 O ATOM 557 CB TRP A 114 -2.894 -6.614 -6.445 1.00 0.00 C ATOM 558 CG TRP A 114 -3.884 -6.116 -7.457 1.00 0.00 C ATOM 559 CD1 TRP A 114 -3.823 -6.350 -8.791 1.00 0.00 C ATOM 560 CD2 TRP A 114 -5.092 -5.323 -7.236 1.00 0.00 C ATOM 561 NE1 TRP A 114 -4.913 -5.750 -9.400 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.723 -5.105 -8.484 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.692 -4.776 -6.085 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.909 -4.374 -8.586 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.886 -4.039 -6.184 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.492 -3.839 -7.431 1.00 0.00 C ATOM 0 H TRP A 114 -0.656 -6.920 -7.905 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.877 -4.686 -6.253 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.620 -7.644 -6.674 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.350 -6.618 -5.455 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.051 -6.912 -9.296 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.096 -5.780 -10.403 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -5.232 -4.924 -5.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.373 -4.223 -9.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.338 -3.625 -5.294 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.409 -3.272 -7.501 1.00 0.00 H new ATOM 577 N TRP A 115 -0.014 -5.283 -4.647 1.00 0.00 N ATOM 578 CA TRP A 115 0.950 -5.704 -3.574 1.00 0.00 C ATOM 579 C TRP A 115 0.281 -5.673 -2.198 1.00 0.00 C ATOM 580 O TRP A 115 -0.660 -4.941 -1.972 1.00 0.00 O ATOM 581 CB TRP A 115 2.093 -4.677 -3.616 1.00 0.00 C ATOM 582 CG TRP A 115 2.768 -4.665 -4.961 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.775 -5.682 -5.859 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.548 -3.593 -5.561 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.503 -5.295 -6.970 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.999 -4.015 -6.835 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.898 -2.305 -5.126 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.773 -3.188 -7.649 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.677 -1.467 -5.941 1.00 0.00 C ATOM 590 CH2 TRP A 115 5.113 -1.908 -7.201 1.00 0.00 C ATOM 0 H TRP A 115 -0.098 -4.276 -4.787 1.00 0.00 H new ATOM 0 HA TRP A 115 1.302 -6.722 -3.740 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.701 -3.684 -3.395 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.824 -4.911 -2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.291 -6.638 -5.728 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.654 -5.884 -7.789 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.566 -1.956 -4.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 5.107 -3.533 -8.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.942 -0.478 -5.597 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.711 -1.259 -7.824 1.00 0.00 H new ATOM 601 N LYS A 116 0.790 -6.442 -1.271 1.00 0.00 N ATOM 602 CA LYS A 116 0.210 -6.450 0.106 1.00 0.00 C ATOM 603 C LYS A 116 1.020 -5.488 0.981 1.00 0.00 C ATOM 604 O LYS A 116 2.176 -5.735 1.234 1.00 0.00 O ATOM 605 CB LYS A 116 0.367 -7.889 0.602 1.00 0.00 C ATOM 606 CG LYS A 116 -0.859 -8.276 1.434 1.00 0.00 C ATOM 607 CD LYS A 116 -0.709 -9.718 1.925 1.00 0.00 C ATOM 608 CE LYS A 116 -1.924 -10.101 2.774 1.00 0.00 C ATOM 609 NZ LYS A 116 -1.937 -11.591 2.776 1.00 0.00 N ATOM 0 H LYS A 116 1.585 -7.067 -1.408 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.833 -6.136 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.475 -8.567 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.272 -7.982 1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -0.963 -7.601 2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.764 -8.177 0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.619 -10.395 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.204 -9.820 2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.839 -9.705 3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.844 -9.699 2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.743 -11.930 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.025 -11.939 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.052 -11.945 3.191 1.00 0.00 H new ATOM 623 N ALA A 117 0.443 -4.389 1.417 1.00 0.00 N ATOM 624 CA ALA A 117 1.228 -3.412 2.240 1.00 0.00 C ATOM 625 C ALA A 117 0.539 -3.064 3.569 1.00 0.00 C ATOM 626 O ALA A 117 -0.629 -3.333 3.783 1.00 0.00 O ATOM 627 CB ALA A 117 1.316 -2.170 1.361 1.00 0.00 C ATOM 0 H ALA A 117 -0.527 -4.129 1.240 1.00 0.00 H new ATOM 0 HA ALA A 117 2.198 -3.825 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.877 -1.394 1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.822 -2.419 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.312 -1.807 1.143 1.00 0.00 H new ATOM 633 N ARG A 118 1.281 -2.453 4.462 1.00 0.00 N ATOM 634 CA ARG A 118 0.730 -2.063 5.779 1.00 0.00 C ATOM 635 C ARG A 118 0.662 -0.533 5.887 1.00 0.00 C ATOM 636 O ARG A 118 1.628 0.160 5.635 1.00 0.00 O ATOM 637 CB ARG A 118 1.721 -2.646 6.797 1.00 0.00 C ATOM 638 CG ARG A 118 1.349 -2.222 8.224 1.00 0.00 C ATOM 639 CD ARG A 118 2.623 -2.016 9.046 1.00 0.00 C ATOM 640 NE ARG A 118 2.192 -2.094 10.476 1.00 0.00 N ATOM 641 CZ ARG A 118 3.070 -2.209 11.449 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.359 -2.218 11.217 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.646 -2.322 12.677 1.00 0.00 N ATOM 0 H ARG A 118 2.261 -2.208 4.322 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.283 -2.431 5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.725 -3.734 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.730 -2.307 6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.766 -1.301 8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.723 -2.984 8.689 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.366 -2.781 8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.081 -1.051 8.826 1.00 0.00 H new ATOM 0 HE ARG A 118 1.198 -2.057 10.701 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.706 -2.134 10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.016 -2.309 11.992 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.645 -2.320 12.873 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.315 -2.412 13.441 1.00 0.00 H new ATOM 657 N SER A 119 -0.471 -0.010 6.288 1.00 0.00 N ATOM 658 CA SER A 119 -0.612 1.465 6.442 1.00 0.00 C ATOM 659 C SER A 119 -0.058 1.882 7.799 1.00 0.00 C ATOM 660 O SER A 119 -0.588 1.500 8.823 1.00 0.00 O ATOM 661 CB SER A 119 -2.111 1.745 6.387 1.00 0.00 C ATOM 662 OG SER A 119 -2.342 3.121 6.660 1.00 0.00 O ATOM 0 H SER A 119 -1.307 -0.548 6.516 1.00 0.00 H new ATOM 0 HA SER A 119 -0.073 2.013 5.669 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.505 1.486 5.404 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.635 1.125 7.114 1.00 0.00 H new ATOM 0 HG SER A 119 -3.304 3.305 6.624 1.00 0.00 H new ATOM 668 N LEU A 120 0.997 2.655 7.809 1.00 0.00 N ATOM 669 CA LEU A 120 1.597 3.103 9.105 1.00 0.00 C ATOM 670 C LEU A 120 0.640 4.047 9.837 1.00 0.00 C ATOM 671 O LEU A 120 0.664 4.155 11.050 1.00 0.00 O ATOM 672 CB LEU A 120 2.879 3.839 8.713 1.00 0.00 C ATOM 673 CG LEU A 120 3.845 2.861 8.044 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.873 3.642 7.231 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.563 2.035 9.113 1.00 0.00 C ATOM 0 H LEU A 120 1.472 2.997 6.974 1.00 0.00 H new ATOM 0 HA LEU A 120 1.793 2.268 9.778 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.647 4.659 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.343 4.278 9.596 1.00 0.00 H new ATOM 0 HG LEU A 120 3.288 2.194 7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.563 2.947 6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.363 4.230 6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.428 4.308 7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.251 1.339 8.634 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.121 2.700 9.773 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.830 1.477 9.695 1.00 0.00 H new ATOM 687 N ALA A 121 -0.208 4.727 9.107 1.00 0.00 N ATOM 688 CA ALA A 121 -1.185 5.660 9.749 1.00 0.00 C ATOM 689 C ALA A 121 -2.066 4.889 10.740 1.00 0.00 C ATOM 690 O ALA A 121 -2.513 5.425 11.739 1.00 0.00 O ATOM 691 CB ALA A 121 -2.024 6.215 8.594 1.00 0.00 C ATOM 0 H ALA A 121 -0.266 4.676 8.090 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.696 6.457 10.309 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.767 6.910 8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.375 6.736 7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.528 5.395 8.084 1.00 0.00 H new ATOM 697 N THR A 122 -2.294 3.626 10.474 1.00 0.00 N ATOM 698 CA THR A 122 -3.119 2.791 11.398 1.00 0.00 C ATOM 699 C THR A 122 -2.432 1.439 11.660 1.00 0.00 C ATOM 700 O THR A 122 -3.024 0.539 12.222 1.00 0.00 O ATOM 701 CB THR A 122 -4.455 2.567 10.683 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.227 1.937 9.427 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.167 3.902 10.470 1.00 0.00 C ATOM 0 H THR A 122 -1.942 3.136 9.652 1.00 0.00 H new ATOM 0 HA THR A 122 -3.252 3.282 12.362 1.00 0.00 H new ATOM 0 HB THR A 122 -5.084 1.925 11.300 1.00 0.00 H new ATOM 0 HG1 THR A 122 -4.823 2.326 8.753 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.116 3.731 9.961 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.353 4.373 11.435 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.541 4.555 9.862 1.00 0.00 H new ATOM 711 N ARG A 123 -1.188 1.282 11.251 1.00 0.00 N ATOM 712 CA ARG A 123 -0.460 -0.017 11.467 1.00 0.00 C ATOM 713 C ARG A 123 -1.287 -1.199 10.952 1.00 0.00 C ATOM 714 O ARG A 123 -1.166 -2.305 11.444 1.00 0.00 O ATOM 715 CB ARG A 123 -0.288 -0.136 12.981 1.00 0.00 C ATOM 716 CG ARG A 123 0.502 1.060 13.525 1.00 0.00 C ATOM 717 CD ARG A 123 1.995 0.728 13.530 1.00 0.00 C ATOM 718 NE ARG A 123 2.277 0.120 14.883 1.00 0.00 N ATOM 719 CZ ARG A 123 2.103 0.778 16.012 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.760 2.045 16.018 1.00 0.00 N ATOM 721 NH2 ARG A 123 2.314 0.165 17.145 1.00 0.00 N ATOM 0 H ARG A 123 -0.644 2.002 10.775 1.00 0.00 H new ATOM 0 HA ARG A 123 0.491 -0.031 10.934 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.265 -0.183 13.462 1.00 0.00 H new ATOM 0 HB3 ARG A 123 0.231 -1.063 13.223 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.317 1.941 12.910 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.169 1.300 14.535 1.00 0.00 H new ATOM 0 HD2 ARG A 123 2.243 0.032 12.729 1.00 0.00 H new ATOM 0 HD3 ARG A 123 2.595 1.624 13.371 1.00 0.00 H new ATOM 0 HE ARG A 123 2.617 -0.841 14.925 1.00 0.00 H new ATOM 0 HH11 ARG A 123 1.623 2.540 15.137 1.00 0.00 H new ATOM 0 HH12 ARG A 123 1.631 2.534 16.904 1.00 0.00 H new ATOM 0 HH21 ARG A 123 2.610 -0.811 17.149 1.00 0.00 H new ATOM 0 HH22 ARG A 123 2.183 0.662 18.026 1.00 0.00 H new ATOM 735 N LYS A 124 -2.119 -0.978 9.966 1.00 0.00 N ATOM 736 CA LYS A 124 -2.949 -2.099 9.421 1.00 0.00 C ATOM 737 C LYS A 124 -2.307 -2.629 8.143 1.00 0.00 C ATOM 738 O LYS A 124 -1.310 -2.108 7.710 1.00 0.00 O ATOM 739 CB LYS A 124 -4.316 -1.480 9.141 1.00 0.00 C ATOM 740 CG LYS A 124 -4.929 -0.994 10.459 1.00 0.00 C ATOM 741 CD LYS A 124 -6.454 -1.080 10.378 1.00 0.00 C ATOM 742 CE LYS A 124 -6.983 0.085 9.538 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.117 -0.479 8.751 1.00 0.00 N ATOM 0 H LYS A 124 -2.260 -0.074 9.515 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.032 -2.941 10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.216 -0.648 8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -4.971 -2.213 8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.564 -1.601 11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.623 0.033 10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.753 -2.029 9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.885 -1.047 11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.315 0.908 10.172 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.208 0.481 8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -8.528 0.265 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -7.771 -1.255 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.844 -0.841 9.400 1.00 0.00 H new ATOM 757 N GLU A 125 -2.863 -3.646 7.532 1.00 0.00 N ATOM 758 CA GLU A 125 -2.241 -4.180 6.273 1.00 0.00 C ATOM 759 C GLU A 125 -3.267 -4.860 5.375 1.00 0.00 C ATOM 760 O GLU A 125 -4.263 -5.393 5.824 1.00 0.00 O ATOM 761 CB GLU A 125 -1.129 -5.174 6.682 1.00 0.00 C ATOM 762 CG GLU A 125 -1.499 -5.969 7.940 1.00 0.00 C ATOM 763 CD GLU A 125 -2.809 -6.729 7.722 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.757 -7.811 7.162 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.839 -6.216 8.125 1.00 0.00 O ATOM 0 H GLU A 125 -3.708 -4.126 7.842 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.826 -3.354 5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.940 -5.864 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.202 -4.628 6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.700 -6.670 8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.600 -5.293 8.789 1.00 0.00 H new ATOM 772 N GLY A 126 -3.007 -4.841 4.094 1.00 0.00 N ATOM 773 CA GLY A 126 -3.933 -5.476 3.119 1.00 0.00 C ATOM 774 C GLY A 126 -3.348 -5.341 1.712 1.00 0.00 C ATOM 775 O GLY A 126 -2.151 -5.268 1.546 1.00 0.00 O ATOM 0 H GLY A 126 -2.182 -4.407 3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.077 -6.528 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.913 -5.000 3.166 1.00 0.00 H new ATOM 779 N TYR A 127 -4.186 -5.281 0.708 1.00 0.00 N ATOM 780 CA TYR A 127 -3.690 -5.146 -0.702 1.00 0.00 C ATOM 781 C TYR A 127 -3.643 -3.667 -1.108 1.00 0.00 C ATOM 782 O TYR A 127 -4.224 -2.820 -0.458 1.00 0.00 O ATOM 783 CB TYR A 127 -4.725 -5.871 -1.585 1.00 0.00 C ATOM 784 CG TYR A 127 -5.006 -7.277 -1.089 1.00 0.00 C ATOM 785 CD1 TYR A 127 -4.027 -8.276 -1.185 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.265 -7.583 -0.556 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.310 -9.578 -0.747 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.545 -8.882 -0.116 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.567 -9.879 -0.213 1.00 0.00 C ATOM 790 OH TYR A 127 -5.846 -11.161 0.212 1.00 0.00 O ATOM 0 H TYR A 127 -5.201 -5.320 0.802 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.688 -5.562 -0.807 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.653 -5.299 -1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.360 -5.914 -2.611 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.056 -8.043 -1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.021 -6.815 -0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.557 -10.348 -0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.515 -9.115 0.298 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.763 -11.199 0.557 1.00 0.00 H new ATOM 800 N ILE A 128 -2.953 -3.359 -2.181 1.00 0.00 N ATOM 801 CA ILE A 128 -2.856 -1.936 -2.646 1.00 0.00 C ATOM 802 C ILE A 128 -2.568 -1.895 -4.159 1.00 0.00 C ATOM 803 O ILE A 128 -1.488 -2.262 -4.578 1.00 0.00 O ATOM 804 CB ILE A 128 -1.694 -1.291 -1.862 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.468 -2.218 -1.832 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.149 -1.004 -0.432 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.819 -1.387 -1.840 1.00 0.00 C ATOM 0 H ILE A 128 -2.451 -4.034 -2.758 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.788 -1.399 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.412 -0.363 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.499 -2.847 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.485 -2.885 -2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.331 -0.548 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -2.999 -0.322 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.442 -1.936 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.682 -2.053 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.853 -0.778 -2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.839 -0.739 -0.964 1.00 0.00 H new ATOM 819 N PRO A 129 -3.539 -1.455 -4.950 1.00 0.00 N ATOM 820 CA PRO A 129 -3.345 -1.378 -6.429 1.00 0.00 C ATOM 821 C PRO A 129 -1.986 -0.761 -6.796 1.00 0.00 C ATOM 822 O PRO A 129 -1.809 0.442 -6.788 1.00 0.00 O ATOM 823 CB PRO A 129 -4.488 -0.488 -6.904 1.00 0.00 C ATOM 824 CG PRO A 129 -5.548 -0.596 -5.854 1.00 0.00 C ATOM 825 CD PRO A 129 -4.884 -1.000 -4.559 1.00 0.00 C ATOM 0 HA PRO A 129 -3.350 -2.364 -6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.158 0.544 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.863 -0.816 -7.874 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.066 0.356 -5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.298 -1.332 -6.144 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.831 -0.162 -3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.440 -1.794 -4.060 1.00 0.00 H new ATOM 833 N SER A 130 -1.033 -1.597 -7.124 1.00 0.00 N ATOM 834 CA SER A 130 0.330 -1.102 -7.500 1.00 0.00 C ATOM 835 C SER A 130 0.253 -0.121 -8.680 1.00 0.00 C ATOM 836 O SER A 130 1.166 0.650 -8.911 1.00 0.00 O ATOM 837 CB SER A 130 1.103 -2.355 -7.916 1.00 0.00 C ATOM 838 OG SER A 130 1.153 -3.255 -6.822 1.00 0.00 O ATOM 0 H SER A 130 -1.141 -2.611 -7.148 1.00 0.00 H new ATOM 0 HA SER A 130 0.805 -0.569 -6.676 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.619 -2.829 -8.770 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.112 -2.087 -8.229 1.00 0.00 H new ATOM 0 HG SER A 130 2.029 -3.694 -6.799 1.00 0.00 H new ATOM 844 N ASN A 131 -0.816 -0.164 -9.437 1.00 0.00 N ATOM 845 CA ASN A 131 -0.948 0.752 -10.615 1.00 0.00 C ATOM 846 C ASN A 131 -1.261 2.202 -10.191 1.00 0.00 C ATOM 847 O ASN A 131 -1.349 3.077 -11.030 1.00 0.00 O ATOM 848 CB ASN A 131 -2.092 0.169 -11.457 1.00 0.00 C ATOM 849 CG ASN A 131 -3.376 0.062 -10.621 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.570 -0.898 -9.900 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.267 1.012 -10.694 1.00 0.00 N ATOM 0 H ASN A 131 -1.604 -0.794 -9.291 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.013 0.808 -11.173 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.269 0.801 -12.327 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.811 -0.816 -11.830 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.125 0.949 -10.147 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.105 1.818 -11.298 1.00 0.00 H new ATOM 858 N TYR A 132 -1.412 2.474 -8.912 1.00 0.00 N ATOM 859 CA TYR A 132 -1.693 3.887 -8.470 1.00 0.00 C ATOM 860 C TYR A 132 -0.857 4.230 -7.229 1.00 0.00 C ATOM 861 O TYR A 132 -1.355 4.801 -6.275 1.00 0.00 O ATOM 862 CB TYR A 132 -3.185 3.933 -8.121 1.00 0.00 C ATOM 863 CG TYR A 132 -4.008 4.281 -9.346 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.669 5.387 -10.133 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.122 3.506 -9.682 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.437 5.711 -11.258 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.893 3.832 -10.804 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.552 4.936 -11.590 1.00 0.00 C ATOM 869 OH TYR A 132 -6.316 5.260 -12.694 1.00 0.00 O ATOM 0 H TYR A 132 -1.354 1.787 -8.160 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.439 4.605 -9.250 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.502 2.968 -7.725 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.358 4.671 -7.338 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.813 5.992 -9.872 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.388 2.654 -9.074 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.168 6.560 -11.869 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.752 3.230 -11.062 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.052 4.619 -12.782 1.00 0.00 H new ATOM 879 N VAL A 133 0.402 3.882 -7.238 1.00 0.00 N ATOM 880 CA VAL A 133 1.276 4.173 -6.061 1.00 0.00 C ATOM 881 C VAL A 133 2.713 4.442 -6.519 1.00 0.00 C ATOM 882 O VAL A 133 3.059 4.234 -7.664 1.00 0.00 O ATOM 883 CB VAL A 133 1.208 2.903 -5.200 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.639 1.688 -6.023 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.121 3.026 -3.979 1.00 0.00 C ATOM 0 H VAL A 133 0.866 3.407 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 133 0.953 5.057 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 133 0.178 2.777 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.587 0.792 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.975 1.575 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.662 1.829 -6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 133 2.057 2.115 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.150 3.173 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.808 3.877 -3.375 1.00 0.00 H new ATOM 895 N ALA A 134 3.547 4.890 -5.620 1.00 0.00 N ATOM 896 CA ALA A 134 4.974 5.162 -5.977 1.00 0.00 C ATOM 897 C ALA A 134 5.897 4.386 -5.027 1.00 0.00 C ATOM 898 O ALA A 134 5.876 4.585 -3.825 1.00 0.00 O ATOM 899 CB ALA A 134 5.152 6.674 -5.807 1.00 0.00 C ATOM 0 H ALA A 134 3.302 5.081 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 134 5.222 4.848 -6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.178 6.949 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.467 7.198 -6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.938 6.952 -4.775 1.00 0.00 H new ATOM 905 N ARG A 135 6.679 3.476 -5.555 1.00 0.00 N ATOM 906 CA ARG A 135 7.574 2.651 -4.691 1.00 0.00 C ATOM 907 C ARG A 135 8.855 3.391 -4.292 1.00 0.00 C ATOM 908 O ARG A 135 9.530 3.992 -5.107 1.00 0.00 O ATOM 909 CB ARG A 135 7.912 1.432 -5.540 1.00 0.00 C ATOM 910 CG ARG A 135 8.082 0.216 -4.632 1.00 0.00 C ATOM 911 CD ARG A 135 9.571 -0.094 -4.452 1.00 0.00 C ATOM 912 NE ARG A 135 9.873 -1.185 -5.432 1.00 0.00 N ATOM 913 CZ ARG A 135 11.116 -1.515 -5.730 1.00 0.00 C ATOM 914 NH1 ARG A 135 12.141 -0.905 -5.179 1.00 0.00 N ATOM 915 NH2 ARG A 135 11.333 -2.468 -6.594 1.00 0.00 N ATOM 0 H ARG A 135 6.735 3.270 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 135 7.082 2.398 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.120 1.250 -6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.828 1.610 -6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 135 7.621 0.407 -3.663 1.00 0.00 H new ATOM 0 HG3 ARG A 135 7.572 -0.645 -5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 135 10.182 0.788 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 135 9.785 -0.412 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 135 9.103 -1.683 -5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 135 11.986 -0.157 -4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 135 13.092 -1.180 -5.427 1.00 0.00 H new ATOM 0 HH21 ARG A 135 10.547 -2.949 -7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 135 12.289 -2.732 -6.833 1.00 0.00 H new ATOM 929 N VAL A 136 9.194 3.317 -3.033 1.00 0.00 N ATOM 930 CA VAL A 136 10.429 3.971 -2.512 1.00 0.00 C ATOM 931 C VAL A 136 11.113 3.043 -1.493 1.00 0.00 C ATOM 932 O VAL A 136 10.462 2.316 -0.762 1.00 0.00 O ATOM 933 CB VAL A 136 9.953 5.249 -1.818 1.00 0.00 C ATOM 934 CG1 VAL A 136 9.393 6.224 -2.854 1.00 0.00 C ATOM 935 CG2 VAL A 136 8.871 4.915 -0.780 1.00 0.00 C ATOM 0 H VAL A 136 8.653 2.818 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 136 11.147 4.184 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 136 10.800 5.711 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.056 7.132 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.171 6.475 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.553 5.762 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.539 5.832 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.024 4.442 -1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.281 4.234 -0.034 1.00 0.00 H new ATOM 945 N ASP A 137 12.418 3.062 -1.438 1.00 0.00 N ATOM 946 CA ASP A 137 13.150 2.202 -0.487 1.00 0.00 C ATOM 947 C ASP A 137 13.452 2.990 0.792 1.00 0.00 C ATOM 948 O ASP A 137 14.548 2.939 1.319 1.00 0.00 O ATOM 949 CB ASP A 137 14.445 1.861 -1.226 1.00 0.00 C ATOM 950 CG ASP A 137 14.244 0.599 -2.067 1.00 0.00 C ATOM 951 OD1 ASP A 137 13.138 0.393 -2.539 1.00 0.00 O ATOM 952 OD2 ASP A 137 15.199 -0.139 -2.222 1.00 0.00 O ATOM 0 H ASP A 137 13.010 3.650 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 137 12.593 1.314 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 137 14.739 2.693 -1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 137 15.253 1.708 -0.511 1.00 0.00 H new ATOM 957 N SER A 138 12.489 3.730 1.288 1.00 0.00 N ATOM 958 CA SER A 138 12.716 4.537 2.522 1.00 0.00 C ATOM 959 C SER A 138 11.485 4.494 3.430 1.00 0.00 C ATOM 960 O SER A 138 11.663 4.353 4.628 1.00 0.00 O ATOM 961 CB SER A 138 12.956 5.956 2.013 1.00 0.00 C ATOM 962 OG SER A 138 13.424 6.768 3.078 1.00 0.00 O ATOM 0 H SER A 138 11.554 3.808 0.888 1.00 0.00 H new ATOM 0 HA SER A 138 13.550 4.161 3.114 1.00 0.00 H new ATOM 0 HB2 SER A 138 13.685 5.945 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 138 12.033 6.369 1.606 1.00 0.00 H new ATOM 0 HG SER A 138 13.580 7.679 2.751 1.00 0.00 H new TER 968 SER A 138