USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=13 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 180:sc= -0.0436 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 113:sc= 0.353 USER MOD Single : A 93 HIS : no HD1:sc= -0.0932 X(o=-0.093,f=-0.0048) USER MOD Single : A 94 HIS : no HD1:sc=-0.00181 X(o=-0.0018,f=-0.1) USER MOD Single : A 98 SER OG : rot 180:sc= 0.506 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.0075) USER MOD Single : A 105 MET CE :methyl 159:sc= -2.64! (180deg=-2.82!) 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+ -171:sc= -0.0157 (180deg=-0.186) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -121:sc= 0.499 USER MOD Single : A 131 ASN : amide:sc= -3.28 K(o=-3.3,f=-11!) 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 18.540 1.053 3.828 1.00 0.00 N ATOM 2 CA SER A 78 18.595 1.503 2.409 1.00 0.00 C ATOM 3 C SER A 78 17.877 0.490 1.518 1.00 0.00 C ATOM 4 O SER A 78 17.915 -0.700 1.763 1.00 0.00 O ATOM 5 CB SER A 78 20.083 1.571 2.066 1.00 0.00 C ATOM 6 OG SER A 78 20.496 2.931 2.047 1.00 0.00 O ATOM 0 HA SER A 78 18.107 2.466 2.257 1.00 0.00 H new ATOM 0 HB2 SER A 78 20.664 1.012 2.800 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.266 1.109 1.096 1.00 0.00 H new ATOM 0 HG SER A 78 21.450 2.980 1.829 1.00 0.00 H new ATOM 12 N GLU A 79 17.218 0.956 0.486 1.00 0.00 N ATOM 13 CA GLU A 79 16.481 0.031 -0.437 1.00 0.00 C ATOM 14 C GLU A 79 15.497 -0.849 0.348 1.00 0.00 C ATOM 15 O GLU A 79 15.863 -1.877 0.885 1.00 0.00 O ATOM 16 CB GLU A 79 17.561 -0.830 -1.102 1.00 0.00 C ATOM 17 CG GLU A 79 17.263 -0.964 -2.596 1.00 0.00 C ATOM 18 CD GLU A 79 16.152 -1.995 -2.796 1.00 0.00 C ATOM 19 OE1 GLU A 79 16.459 -3.176 -2.783 1.00 0.00 O ATOM 20 OE2 GLU A 79 15.015 -1.586 -2.957 1.00 0.00 O ATOM 0 H GLU A 79 17.157 1.944 0.240 1.00 0.00 H new ATOM 0 HA GLU A 79 15.892 0.580 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.542 -0.378 -0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.592 -1.815 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.960 -0.001 -3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 79 18.161 -1.271 -3.132 1.00 0.00 H new ATOM 27 N ASP A 80 14.251 -0.452 0.407 1.00 0.00 N ATOM 28 CA ASP A 80 13.232 -1.261 1.149 1.00 0.00 C ATOM 29 C ASP A 80 11.979 -1.410 0.281 1.00 0.00 C ATOM 30 O ASP A 80 12.046 -1.258 -0.925 1.00 0.00 O ATOM 31 CB ASP A 80 12.923 -0.462 2.418 1.00 0.00 C ATOM 32 CG ASP A 80 14.208 -0.250 3.225 1.00 0.00 C ATOM 33 OD1 ASP A 80 14.710 -1.219 3.772 1.00 0.00 O ATOM 34 OD2 ASP A 80 14.668 0.878 3.281 1.00 0.00 O ATOM 0 H ASP A 80 13.893 0.399 -0.027 1.00 0.00 H new ATOM 0 HA ASP A 80 13.585 -2.263 1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.485 0.501 2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.187 -0.992 3.022 1.00 0.00 H new ATOM 39 N ILE A 81 10.837 -1.689 0.870 1.00 0.00 N ATOM 40 CA ILE A 81 9.602 -1.824 0.037 1.00 0.00 C ATOM 41 C ILE A 81 8.467 -0.927 0.549 1.00 0.00 C ATOM 42 O ILE A 81 7.328 -1.339 0.589 1.00 0.00 O ATOM 43 CB ILE A 81 9.196 -3.307 0.058 1.00 0.00 C ATOM 44 CG1 ILE A 81 8.724 -3.746 1.469 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.362 -4.171 -0.447 1.00 0.00 C ATOM 46 CD1 ILE A 81 9.894 -4.128 2.395 1.00 0.00 C ATOM 0 H ILE A 81 10.710 -1.826 1.873 1.00 0.00 H new ATOM 0 HA ILE A 81 9.803 -1.497 -0.983 1.00 0.00 H new ATOM 0 HB ILE A 81 8.348 -3.448 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.154 -2.936 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.049 -4.596 1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.070 -5.221 -0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.615 -3.881 -1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.229 -4.025 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.505 -4.427 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.450 -4.957 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.557 -3.271 2.517 1.00 0.00 H new ATOM 58 N ILE A 82 8.748 0.308 0.899 1.00 0.00 N ATOM 59 CA ILE A 82 7.640 1.206 1.355 1.00 0.00 C ATOM 60 C ILE A 82 7.174 2.045 0.174 1.00 0.00 C ATOM 61 O ILE A 82 7.973 2.527 -0.598 1.00 0.00 O ATOM 62 CB ILE A 82 8.202 2.106 2.459 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.830 1.251 3.559 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.066 2.952 3.054 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.617 2.150 4.515 1.00 0.00 C ATOM 0 H ILE A 82 9.679 0.726 0.889 1.00 0.00 H new ATOM 0 HA ILE A 82 6.793 0.635 1.735 1.00 0.00 H new ATOM 0 HB ILE A 82 8.964 2.760 2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.054 0.713 4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.490 0.502 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.464 3.594 3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.623 3.569 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.304 2.295 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.066 1.542 5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.402 2.668 3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.945 2.882 4.963 1.00 0.00 H new ATOM 77 N VAL A 83 5.890 2.207 0.017 1.00 0.00 N ATOM 78 CA VAL A 83 5.370 3.000 -1.133 1.00 0.00 C ATOM 79 C VAL A 83 4.447 4.123 -0.646 1.00 0.00 C ATOM 80 O VAL A 83 4.066 4.169 0.509 1.00 0.00 O ATOM 81 CB VAL A 83 4.593 1.982 -1.982 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.543 0.880 -2.477 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.462 1.352 -1.146 1.00 0.00 C ATOM 0 H VAL A 83 5.176 1.824 0.637 1.00 0.00 H new ATOM 0 HA VAL A 83 6.167 3.485 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 83 4.160 2.496 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.985 0.162 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.332 1.325 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.986 0.370 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.917 0.632 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.888 0.845 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.780 2.133 -0.810 1.00 0.00 H new ATOM 93 N VAL A 84 4.074 5.017 -1.528 1.00 0.00 N ATOM 94 CA VAL A 84 3.163 6.126 -1.130 1.00 0.00 C ATOM 95 C VAL A 84 1.926 6.131 -2.043 1.00 0.00 C ATOM 96 O VAL A 84 2.037 6.215 -3.255 1.00 0.00 O ATOM 97 CB VAL A 84 3.991 7.430 -1.259 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.123 7.872 -2.723 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.303 8.551 -0.475 1.00 0.00 C ATOM 0 H VAL A 84 4.363 5.024 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 84 2.794 6.018 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 84 4.986 7.232 -0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.710 8.789 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.621 7.090 -3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.132 8.051 -3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.885 9.468 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.303 8.715 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.231 8.269 0.575 1.00 0.00 H new ATOM 109 N ALA A 85 0.757 6.033 -1.469 1.00 0.00 N ATOM 110 CA ALA A 85 -0.479 6.043 -2.300 1.00 0.00 C ATOM 111 C ALA A 85 -0.646 7.425 -2.919 1.00 0.00 C ATOM 112 O ALA A 85 -0.683 8.423 -2.213 1.00 0.00 O ATOM 113 CB ALA A 85 -1.622 5.749 -1.334 1.00 0.00 C ATOM 0 H ALA A 85 0.606 5.947 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.449 5.313 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.566 5.741 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.464 4.776 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.654 6.519 -0.563 1.00 0.00 H new ATOM 119 N LEU A 86 -0.735 7.485 -4.227 1.00 0.00 N ATOM 120 CA LEU A 86 -0.876 8.802 -4.920 1.00 0.00 C ATOM 121 C LEU A 86 -2.345 9.148 -5.186 1.00 0.00 C ATOM 122 O LEU A 86 -2.639 10.206 -5.708 1.00 0.00 O ATOM 123 CB LEU A 86 -0.137 8.628 -6.249 1.00 0.00 C ATOM 124 CG LEU A 86 1.353 8.409 -5.980 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.051 7.973 -7.269 1.00 0.00 C ATOM 126 CD2 LEU A 86 1.973 9.714 -5.479 1.00 0.00 C ATOM 0 H LEU A 86 -0.716 6.674 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.474 9.612 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.547 7.779 -6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.279 9.510 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 86 1.475 7.632 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.112 7.818 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.608 7.043 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.931 8.747 -8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.035 9.562 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.849 10.489 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.478 10.022 -4.558 1.00 0.00 H new ATOM 138 N TYR A 87 -3.270 8.279 -4.843 1.00 0.00 N ATOM 139 CA TYR A 87 -4.722 8.587 -5.074 1.00 0.00 C ATOM 140 C TYR A 87 -5.559 7.850 -4.031 1.00 0.00 C ATOM 141 O TYR A 87 -5.166 6.810 -3.533 1.00 0.00 O ATOM 142 CB TYR A 87 -5.069 8.092 -6.487 1.00 0.00 C ATOM 143 CG TYR A 87 -4.102 8.670 -7.488 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.263 9.982 -7.944 1.00 0.00 C ATOM 145 CD2 TYR A 87 -3.031 7.895 -7.939 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.348 10.520 -8.856 1.00 0.00 C ATOM 147 CE2 TYR A 87 -2.118 8.429 -8.854 1.00 0.00 C ATOM 148 CZ TYR A 87 -2.274 9.744 -9.312 1.00 0.00 C ATOM 149 OH TYR A 87 -1.373 10.275 -10.212 1.00 0.00 O ATOM 0 H TYR A 87 -3.084 7.372 -4.414 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.926 9.654 -4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -5.031 7.003 -6.519 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.088 8.383 -6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.092 10.579 -7.593 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.908 6.883 -7.581 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.470 11.534 -9.208 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.293 7.828 -9.207 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.689 9.606 -10.424 1.00 0.00 H new ATOM 159 N ASP A 88 -6.695 8.389 -3.682 1.00 0.00 N ATOM 160 CA ASP A 88 -7.552 7.728 -2.654 1.00 0.00 C ATOM 161 C ASP A 88 -8.008 6.349 -3.150 1.00 0.00 C ATOM 162 O ASP A 88 -8.225 6.154 -4.331 1.00 0.00 O ATOM 163 CB ASP A 88 -8.759 8.651 -2.467 1.00 0.00 C ATOM 164 CG ASP A 88 -8.368 9.830 -1.575 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.791 9.586 -0.532 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.654 10.956 -1.950 1.00 0.00 O ATOM 0 H ASP A 88 -7.068 9.258 -4.064 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.014 7.573 -1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.106 9.013 -3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.585 8.100 -2.018 1.00 0.00 H new ATOM 171 N TYR A 89 -8.167 5.400 -2.256 1.00 0.00 N ATOM 172 CA TYR A 89 -8.626 4.032 -2.680 1.00 0.00 C ATOM 173 C TYR A 89 -9.332 3.307 -1.523 1.00 0.00 C ATOM 174 O TYR A 89 -8.860 3.302 -0.404 1.00 0.00 O ATOM 175 CB TYR A 89 -7.364 3.266 -3.092 1.00 0.00 C ATOM 176 CG TYR A 89 -7.792 1.989 -3.772 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.284 2.029 -5.082 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.730 0.768 -3.084 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.715 0.852 -5.707 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.157 -0.411 -3.712 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.652 -0.370 -5.025 1.00 0.00 C ATOM 182 OH TYR A 89 -9.078 -1.528 -5.650 1.00 0.00 O ATOM 0 H TYR A 89 -8.000 5.510 -1.256 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.342 4.098 -3.499 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.755 3.870 -3.765 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.751 3.045 -2.218 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.331 2.969 -5.612 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.354 0.736 -2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.097 0.887 -6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.105 -1.352 -3.185 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.312 -2.120 -5.799 1.00 0.00 H new ATOM 192 N GLU A 90 -10.465 2.702 -1.794 1.00 0.00 N ATOM 193 CA GLU A 90 -11.232 1.984 -0.721 1.00 0.00 C ATOM 194 C GLU A 90 -10.963 0.467 -0.746 1.00 0.00 C ATOM 195 O GLU A 90 -10.944 -0.151 -1.792 1.00 0.00 O ATOM 196 CB GLU A 90 -12.698 2.256 -1.058 1.00 0.00 C ATOM 197 CG GLU A 90 -13.574 1.882 0.137 1.00 0.00 C ATOM 198 CD GLU A 90 -15.047 1.983 -0.256 1.00 0.00 C ATOM 199 OE1 GLU A 90 -15.360 1.659 -1.390 1.00 0.00 O ATOM 200 OE2 GLU A 90 -15.840 2.378 0.584 1.00 0.00 O ATOM 0 H GLU A 90 -10.895 2.674 -2.718 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.946 2.327 0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.835 3.308 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.994 1.679 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.344 0.869 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.365 2.546 0.976 1.00 0.00 H new ATOM 207 N ALA A 91 -10.769 -0.132 0.408 1.00 0.00 N ATOM 208 CA ALA A 91 -10.512 -1.612 0.471 1.00 0.00 C ATOM 209 C ALA A 91 -11.693 -2.407 -0.109 1.00 0.00 C ATOM 210 O ALA A 91 -12.819 -1.946 -0.112 1.00 0.00 O ATOM 211 CB ALA A 91 -10.342 -1.937 1.959 1.00 0.00 C ATOM 0 H ALA A 91 -10.777 0.341 1.312 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.633 -1.883 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.151 -3.003 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.502 -1.370 2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.252 -1.669 2.496 1.00 0.00 H new ATOM 217 N ILE A 92 -11.440 -3.603 -0.592 1.00 0.00 N ATOM 218 CA ILE A 92 -12.541 -4.447 -1.158 1.00 0.00 C ATOM 219 C ILE A 92 -12.026 -5.867 -1.462 1.00 0.00 C ATOM 220 O ILE A 92 -12.082 -6.321 -2.587 1.00 0.00 O ATOM 221 CB ILE A 92 -12.975 -3.729 -2.445 1.00 0.00 C ATOM 222 CG1 ILE A 92 -14.137 -4.490 -3.084 1.00 0.00 C ATOM 223 CG2 ILE A 92 -11.802 -3.649 -3.434 1.00 0.00 C ATOM 224 CD1 ILE A 92 -14.931 -3.535 -3.976 1.00 0.00 C ATOM 0 H ILE A 92 -10.515 -4.031 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 92 -13.373 -4.562 -0.463 1.00 0.00 H new ATOM 0 HB ILE A 92 -13.292 -2.716 -2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -13.760 -5.327 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -14.783 -4.908 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -12.125 -3.138 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -10.980 -3.097 -2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.468 -4.656 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -15.761 -4.072 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -15.318 -2.713 -3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -14.280 -3.139 -4.755 1.00 0.00 H new ATOM 236 N HIS A 93 -11.517 -6.568 -0.468 1.00 0.00 N ATOM 237 CA HIS A 93 -10.992 -7.961 -0.702 1.00 0.00 C ATOM 238 C HIS A 93 -10.551 -8.619 0.622 1.00 0.00 C ATOM 239 O HIS A 93 -9.402 -8.976 0.789 1.00 0.00 O ATOM 240 CB HIS A 93 -9.773 -7.776 -1.617 1.00 0.00 C ATOM 241 CG HIS A 93 -9.484 -9.057 -2.347 1.00 0.00 C ATOM 242 ND1 HIS A 93 -9.614 -9.166 -3.722 1.00 0.00 N ATOM 243 CD2 HIS A 93 -9.069 -10.290 -1.909 1.00 0.00 C ATOM 244 CE1 HIS A 93 -9.283 -10.426 -4.061 1.00 0.00 C ATOM 245 NE2 HIS A 93 -8.942 -11.153 -2.994 1.00 0.00 N ATOM 0 H HIS A 93 -11.442 -6.237 0.494 1.00 0.00 H new ATOM 0 HA HIS A 93 -11.755 -8.606 -1.138 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.962 -6.975 -2.331 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.906 -7.480 -1.027 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.871 -10.551 -0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.292 -10.803 -5.073 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -8.651 -12.130 -2.978 1.00 0.00 H new ATOM 253 N HIS A 94 -11.452 -8.792 1.562 1.00 0.00 N ATOM 254 CA HIS A 94 -11.082 -9.432 2.876 1.00 0.00 C ATOM 255 C HIS A 94 -9.844 -8.737 3.487 1.00 0.00 C ATOM 256 O HIS A 94 -9.979 -7.710 4.126 1.00 0.00 O ATOM 257 CB HIS A 94 -10.815 -10.907 2.544 1.00 0.00 C ATOM 258 CG HIS A 94 -12.126 -11.643 2.459 1.00 0.00 C ATOM 259 ND1 HIS A 94 -12.953 -11.805 3.560 1.00 0.00 N ATOM 260 CD2 HIS A 94 -12.773 -12.251 1.411 1.00 0.00 C ATOM 261 CE1 HIS A 94 -14.040 -12.485 3.154 1.00 0.00 C ATOM 262 NE2 HIS A 94 -13.981 -12.781 1.852 1.00 0.00 N ATOM 0 H HIS A 94 -12.431 -8.518 1.479 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.870 -9.339 3.624 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -10.278 -10.988 1.599 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.182 -11.355 3.310 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -12.401 -12.309 0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -14.860 -12.758 3.801 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -14.673 -13.287 1.300 1.00 0.00 H new ATOM 270 N GLU A 95 -8.643 -9.249 3.285 1.00 0.00 N ATOM 271 CA GLU A 95 -7.430 -8.560 3.847 1.00 0.00 C ATOM 272 C GLU A 95 -7.092 -7.351 2.968 1.00 0.00 C ATOM 273 O GLU A 95 -6.010 -7.245 2.425 1.00 0.00 O ATOM 274 CB GLU A 95 -6.298 -9.601 3.796 1.00 0.00 C ATOM 275 CG GLU A 95 -5.028 -9.072 4.500 1.00 0.00 C ATOM 276 CD GLU A 95 -5.344 -8.701 5.953 1.00 0.00 C ATOM 277 OE1 GLU A 95 -5.292 -9.584 6.792 1.00 0.00 O ATOM 278 OE2 GLU A 95 -5.629 -7.541 6.199 1.00 0.00 O ATOM 0 H GLU A 95 -8.454 -10.104 2.761 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.585 -8.201 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.626 -10.524 4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.069 -9.844 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.246 -9.830 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.646 -8.200 3.969 1.00 0.00 H new ATOM 285 N ASP A 96 -8.025 -6.443 2.822 1.00 0.00 N ATOM 286 CA ASP A 96 -7.793 -5.236 1.974 1.00 0.00 C ATOM 287 C ASP A 96 -7.461 -4.027 2.852 1.00 0.00 C ATOM 288 O ASP A 96 -7.508 -4.104 4.066 1.00 0.00 O ATOM 289 CB ASP A 96 -9.105 -5.009 1.212 1.00 0.00 C ATOM 290 CG ASP A 96 -10.294 -4.908 2.183 1.00 0.00 C ATOM 291 OD1 ASP A 96 -10.062 -4.740 3.369 1.00 0.00 O ATOM 292 OD2 ASP A 96 -11.419 -5.012 1.718 1.00 0.00 O ATOM 0 H ASP A 96 -8.946 -6.488 3.259 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.954 -5.373 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.034 -4.095 0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.270 -5.828 0.512 1.00 0.00 H new ATOM 297 N LEU A 97 -7.117 -2.915 2.249 1.00 0.00 N ATOM 298 CA LEU A 97 -6.774 -1.702 3.051 1.00 0.00 C ATOM 299 C LEU A 97 -7.049 -0.424 2.251 1.00 0.00 C ATOM 300 O LEU A 97 -6.666 -0.301 1.103 1.00 0.00 O ATOM 301 CB LEU A 97 -5.285 -1.841 3.354 1.00 0.00 C ATOM 302 CG LEU A 97 -4.825 -0.684 4.246 1.00 0.00 C ATOM 303 CD1 LEU A 97 -5.505 -0.783 5.617 1.00 0.00 C ATOM 304 CD2 LEU A 97 -3.305 -0.753 4.421 1.00 0.00 C ATOM 0 H LEU A 97 -7.059 -2.796 1.238 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.372 -1.629 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.093 -2.793 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.715 -1.845 2.425 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.097 0.263 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.174 0.042 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.587 -0.733 5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.238 -1.729 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.974 0.069 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.035 -1.701 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.823 -0.676 3.447 1.00 0.00 H new ATOM 316 N SER A 98 -7.712 0.521 2.863 1.00 0.00 N ATOM 317 CA SER A 98 -8.031 1.802 2.164 1.00 0.00 C ATOM 318 C SER A 98 -6.980 2.867 2.477 1.00 0.00 C ATOM 319 O SER A 98 -6.850 3.305 3.604 1.00 0.00 O ATOM 320 CB SER A 98 -9.378 2.248 2.732 1.00 0.00 C ATOM 321 OG SER A 98 -10.181 1.116 3.043 1.00 0.00 O ATOM 0 H SER A 98 -8.049 0.461 3.824 1.00 0.00 H new ATOM 0 HA SER A 98 -8.051 1.666 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.222 2.849 3.628 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.894 2.881 2.010 1.00 0.00 H new ATOM 0 HG SER A 98 -11.040 1.415 3.408 1.00 0.00 H new ATOM 327 N PHE A 99 -6.260 3.311 1.481 1.00 0.00 N ATOM 328 CA PHE A 99 -5.239 4.382 1.712 1.00 0.00 C ATOM 329 C PHE A 99 -5.727 5.691 1.085 1.00 0.00 C ATOM 330 O PHE A 99 -6.842 5.770 0.597 1.00 0.00 O ATOM 331 CB PHE A 99 -3.922 3.899 1.078 1.00 0.00 C ATOM 332 CG PHE A 99 -4.132 3.382 -0.330 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.279 4.281 -1.392 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.147 2.003 -0.574 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.440 3.803 -2.698 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.315 1.524 -1.881 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.460 2.424 -2.943 1.00 0.00 C ATOM 0 H PHE A 99 -6.332 2.981 0.519 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.081 4.571 2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.205 4.719 1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.490 3.111 1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.268 5.344 -1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.029 1.308 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.549 4.498 -3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.333 0.461 -2.068 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.587 2.056 -3.950 1.00 0.00 H new ATOM 347 N GLN A 100 -4.927 6.729 1.122 1.00 0.00 N ATOM 348 CA GLN A 100 -5.382 8.034 0.557 1.00 0.00 C ATOM 349 C GLN A 100 -4.462 8.529 -0.565 1.00 0.00 C ATOM 350 O GLN A 100 -3.552 7.854 -1.003 1.00 0.00 O ATOM 351 CB GLN A 100 -5.372 9.017 1.740 1.00 0.00 C ATOM 352 CG GLN A 100 -6.787 9.547 1.991 1.00 0.00 C ATOM 353 CD GLN A 100 -6.978 9.807 3.485 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.487 10.785 4.012 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.679 8.967 4.195 1.00 0.00 N ATOM 0 H GLN A 100 -3.986 6.728 1.516 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.370 7.939 0.106 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.997 8.519 2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.696 9.846 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.947 10.466 1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.524 8.825 1.640 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.092 8.146 3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.815 9.132 5.192 1.00 0.00 H new ATOM 364 N LYS A 101 -4.761 9.696 -1.057 1.00 0.00 N ATOM 365 CA LYS A 101 -3.999 10.303 -2.200 1.00 0.00 C ATOM 366 C LYS A 101 -2.511 10.538 -1.935 1.00 0.00 C ATOM 367 O LYS A 101 -1.717 10.575 -2.855 1.00 0.00 O ATOM 368 CB LYS A 101 -4.697 11.631 -2.444 1.00 0.00 C ATOM 369 CG LYS A 101 -4.192 12.237 -3.745 1.00 0.00 C ATOM 370 CD LYS A 101 -5.353 12.912 -4.475 1.00 0.00 C ATOM 371 CE LYS A 101 -6.315 11.842 -5.007 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.534 12.591 -5.431 1.00 0.00 N ATOM 0 H LYS A 101 -5.523 10.277 -0.709 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.006 9.619 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.776 11.483 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.506 12.312 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.406 12.963 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.754 11.462 -4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.879 13.585 -3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.975 13.518 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.876 11.298 -5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.552 11.107 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.238 11.924 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.935 13.093 -4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.280 13.278 -6.169 1.00 0.00 H new ATOM 386 N GLY A 102 -2.137 10.725 -0.717 1.00 0.00 N ATOM 387 CA GLY A 102 -0.698 10.984 -0.396 1.00 0.00 C ATOM 388 C GLY A 102 -0.336 10.215 0.863 1.00 0.00 C ATOM 389 O GLY A 102 0.313 10.726 1.755 1.00 0.00 O ATOM 0 H GLY A 102 -2.762 10.712 0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.063 10.672 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.529 12.051 -0.249 1.00 0.00 H new ATOM 393 N ASP A 103 -0.771 8.990 0.941 1.00 0.00 N ATOM 394 CA ASP A 103 -0.474 8.169 2.162 1.00 0.00 C ATOM 395 C ASP A 103 0.821 7.371 2.021 1.00 0.00 C ATOM 396 O ASP A 103 1.339 7.191 0.944 1.00 0.00 O ATOM 397 CB ASP A 103 -1.661 7.228 2.331 1.00 0.00 C ATOM 398 CG ASP A 103 -2.706 7.902 3.222 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.904 9.095 3.066 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.286 7.215 4.047 1.00 0.00 O ATOM 0 H ASP A 103 -1.317 8.518 0.220 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.333 8.815 3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.093 6.988 1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.336 6.288 2.777 1.00 0.00 H new ATOM 405 N GLN A 104 1.318 6.866 3.118 1.00 0.00 N ATOM 406 CA GLN A 104 2.554 6.039 3.088 1.00 0.00 C ATOM 407 C GLN A 104 2.243 4.650 3.637 1.00 0.00 C ATOM 408 O GLN A 104 1.623 4.505 4.675 1.00 0.00 O ATOM 409 CB GLN A 104 3.563 6.755 3.987 1.00 0.00 C ATOM 410 CG GLN A 104 4.394 7.738 3.155 1.00 0.00 C ATOM 411 CD GLN A 104 5.857 7.678 3.609 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.415 8.668 4.039 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.503 6.545 3.532 1.00 0.00 N ATOM 0 H GLN A 104 0.913 6.995 4.045 1.00 0.00 H new ATOM 0 HA GLN A 104 2.946 5.920 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.041 7.288 4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.217 6.027 4.467 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.320 7.489 2.096 1.00 0.00 H new ATOM 0 HG3 GLN A 104 4.006 8.750 3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.034 5.714 3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.476 6.491 3.833 1.00 0.00 H new ATOM 422 N MET A 105 2.662 3.633 2.940 1.00 0.00 N ATOM 423 CA MET A 105 2.394 2.240 3.394 1.00 0.00 C ATOM 424 C MET A 105 3.632 1.386 3.168 1.00 0.00 C ATOM 425 O MET A 105 4.423 1.652 2.283 1.00 0.00 O ATOM 426 CB MET A 105 1.243 1.754 2.511 1.00 0.00 C ATOM 427 CG MET A 105 -0.001 2.624 2.746 1.00 0.00 C ATOM 428 SD MET A 105 -0.246 3.753 1.347 1.00 0.00 S ATOM 429 CE MET A 105 -0.737 2.505 0.127 1.00 0.00 C ATOM 0 H MET A 105 3.184 3.707 2.067 1.00 0.00 H new ATOM 0 HA MET A 105 2.146 2.182 4.454 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.535 1.798 1.462 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.016 0.712 2.736 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.879 1.990 2.870 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.113 3.194 3.668 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.285 2.985 -0.684 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.152 2.019 -0.274 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.374 1.760 0.604 1.00 0.00 H new ATOM 439 N VAL A 106 3.807 0.365 3.956 1.00 0.00 N ATOM 440 CA VAL A 106 4.992 -0.513 3.773 1.00 0.00 C ATOM 441 C VAL A 106 4.533 -1.773 3.059 1.00 0.00 C ATOM 442 O VAL A 106 3.425 -2.212 3.237 1.00 0.00 O ATOM 443 CB VAL A 106 5.513 -0.858 5.174 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.893 -1.513 5.060 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.622 0.411 6.037 1.00 0.00 C ATOM 0 H VAL A 106 3.182 0.101 4.718 1.00 0.00 H new ATOM 0 HA VAL A 106 5.777 -0.034 3.188 1.00 0.00 H new ATOM 0 HB VAL A 106 4.813 -1.547 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.263 -1.758 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.815 -2.424 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.584 -0.823 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.993 0.147 7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.311 1.113 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.639 0.874 6.129 1.00 0.00 H new ATOM 455 N VAL A 107 5.361 -2.359 2.258 1.00 0.00 N ATOM 456 CA VAL A 107 4.931 -3.595 1.538 1.00 0.00 C ATOM 457 C VAL A 107 5.375 -4.835 2.317 1.00 0.00 C ATOM 458 O VAL A 107 6.465 -4.900 2.850 1.00 0.00 O ATOM 459 CB VAL A 107 5.578 -3.523 0.152 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.205 -4.764 -0.662 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.071 -2.276 -0.577 1.00 0.00 C ATOM 0 H VAL A 107 6.312 -2.046 2.065 1.00 0.00 H new ATOM 0 HA VAL A 107 3.847 -3.665 1.445 1.00 0.00 H new ATOM 0 HB VAL A 107 6.661 -3.476 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 107 5.669 -4.706 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.558 -5.657 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.122 -4.814 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.529 -2.220 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.987 -2.331 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.335 -1.387 -0.004 1.00 0.00 H new ATOM 471 N LEU A 108 4.522 -5.811 2.377 1.00 0.00 N ATOM 472 CA LEU A 108 4.834 -7.069 3.104 1.00 0.00 C ATOM 473 C LEU A 108 5.372 -8.104 2.112 1.00 0.00 C ATOM 474 O LEU A 108 6.169 -8.956 2.455 1.00 0.00 O ATOM 475 CB LEU A 108 3.478 -7.540 3.659 1.00 0.00 C ATOM 476 CG LEU A 108 3.061 -6.709 4.883 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.256 -5.496 4.430 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.185 -7.566 5.808 1.00 0.00 C ATOM 0 H LEU A 108 3.599 -5.791 1.943 1.00 0.00 H new ATOM 0 HA LEU A 108 5.580 -6.932 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.716 -7.458 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.540 -8.593 3.935 1.00 0.00 H new ATOM 0 HG LEU A 108 3.955 -6.381 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.962 -4.909 5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.865 -4.882 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.364 -5.829 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.889 -6.978 6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.295 -7.890 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.749 -8.439 6.137 1.00 0.00 H new ATOM 490 N GLU A 109 4.931 -8.029 0.882 1.00 0.00 N ATOM 491 CA GLU A 109 5.394 -9.000 -0.155 1.00 0.00 C ATOM 492 C GLU A 109 5.233 -8.399 -1.558 1.00 0.00 C ATOM 493 O GLU A 109 4.461 -7.481 -1.759 1.00 0.00 O ATOM 494 CB GLU A 109 4.484 -10.212 0.026 1.00 0.00 C ATOM 495 CG GLU A 109 5.026 -11.091 1.154 1.00 0.00 C ATOM 496 CD GLU A 109 4.526 -12.524 0.970 1.00 0.00 C ATOM 497 OE1 GLU A 109 3.361 -12.762 1.239 1.00 0.00 O ATOM 498 OE2 GLU A 109 5.317 -13.359 0.564 1.00 0.00 O ATOM 0 H GLU A 109 4.265 -7.332 0.549 1.00 0.00 H new ATOM 0 HA GLU A 109 6.448 -9.258 -0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.470 -9.887 0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.431 -10.783 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.116 -11.072 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.702 -10.703 2.120 1.00 0.00 H new ATOM 505 N GLU A 110 5.945 -8.918 -2.530 1.00 0.00 N ATOM 506 CA GLU A 110 5.824 -8.384 -3.927 1.00 0.00 C ATOM 507 C GLU A 110 5.015 -9.352 -4.801 1.00 0.00 C ATOM 508 O GLU A 110 5.056 -10.553 -4.606 1.00 0.00 O ATOM 509 CB GLU A 110 7.263 -8.284 -4.439 1.00 0.00 C ATOM 510 CG GLU A 110 7.389 -7.085 -5.385 1.00 0.00 C ATOM 511 CD GLU A 110 7.125 -5.784 -4.618 1.00 0.00 C ATOM 512 OE1 GLU A 110 7.360 -5.764 -3.421 1.00 0.00 O ATOM 513 OE2 GLU A 110 6.687 -4.831 -5.243 1.00 0.00 O ATOM 0 H GLU A 110 6.605 -9.688 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 110 5.309 -7.424 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.951 -8.173 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.539 -9.201 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 110 8.386 -7.062 -5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.680 -7.183 -6.207 1.00 0.00 H new ATOM 520 N SER A 111 4.281 -8.842 -5.763 1.00 0.00 N ATOM 521 CA SER A 111 3.477 -9.741 -6.652 1.00 0.00 C ATOM 522 C SER A 111 3.613 -9.314 -8.120 1.00 0.00 C ATOM 523 O SER A 111 4.300 -9.954 -8.894 1.00 0.00 O ATOM 524 CB SER A 111 2.029 -9.596 -6.177 1.00 0.00 C ATOM 525 OG SER A 111 1.165 -10.257 -7.092 1.00 0.00 O ATOM 0 H SER A 111 4.204 -7.846 -5.970 1.00 0.00 H new ATOM 0 HA SER A 111 3.818 -10.775 -6.596 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.917 -10.023 -5.180 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.762 -8.542 -6.104 1.00 0.00 H new ATOM 0 HG SER A 111 0.237 -10.167 -6.789 1.00 0.00 H new ATOM 531 N GLY A 112 2.964 -8.243 -8.510 1.00 0.00 N ATOM 532 CA GLY A 112 3.056 -7.780 -9.930 1.00 0.00 C ATOM 533 C GLY A 112 2.041 -6.661 -10.174 1.00 0.00 C ATOM 534 O GLY A 112 2.349 -5.657 -10.787 1.00 0.00 O ATOM 0 H GLY A 112 2.375 -7.670 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.064 -7.423 -10.142 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.864 -8.612 -10.607 1.00 0.00 H new ATOM 538 N GLU A 113 0.833 -6.833 -9.702 1.00 0.00 N ATOM 539 CA GLU A 113 -0.214 -5.787 -9.901 1.00 0.00 C ATOM 540 C GLU A 113 -0.855 -5.412 -8.561 1.00 0.00 C ATOM 541 O GLU A 113 -1.126 -4.254 -8.295 1.00 0.00 O ATOM 542 CB GLU A 113 -1.236 -6.439 -10.831 1.00 0.00 C ATOM 543 CG GLU A 113 -0.805 -6.224 -12.285 1.00 0.00 C ATOM 544 CD GLU A 113 -2.041 -6.005 -13.159 1.00 0.00 C ATOM 545 OE1 GLU A 113 -3.063 -6.605 -12.867 1.00 0.00 O ATOM 546 OE2 GLU A 113 -1.943 -5.247 -14.109 1.00 0.00 O ATOM 0 H GLU A 113 0.526 -7.657 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 113 0.190 -4.865 -10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.313 -7.505 -10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.223 -6.008 -10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.141 -5.363 -12.354 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.244 -7.088 -12.640 1.00 0.00 H new ATOM 553 N TRP A 114 -1.098 -6.382 -7.719 1.00 0.00 N ATOM 554 CA TRP A 114 -1.709 -6.095 -6.389 1.00 0.00 C ATOM 555 C TRP A 114 -0.719 -6.485 -5.288 1.00 0.00 C ATOM 556 O TRP A 114 -0.483 -7.657 -5.048 1.00 0.00 O ATOM 557 CB TRP A 114 -2.966 -6.972 -6.319 1.00 0.00 C ATOM 558 CG TRP A 114 -3.993 -6.472 -7.287 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.023 -6.769 -8.606 1.00 0.00 C ATOM 560 CD2 TRP A 114 -5.140 -5.600 -7.039 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.107 -6.136 -9.186 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.827 -5.404 -8.264 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.647 -4.967 -5.889 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.972 -4.610 -8.343 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.802 -4.167 -5.965 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.462 -3.988 -7.191 1.00 0.00 C ATOM 0 H TRP A 114 -0.898 -7.366 -7.897 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.954 -5.041 -6.258 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.711 -8.007 -6.549 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.372 -6.961 -5.307 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.314 -7.399 -9.123 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.346 -6.202 -10.176 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -5.146 -5.096 -4.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.477 -4.477 -9.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.183 -3.688 -5.075 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.347 -3.371 -7.244 1.00 0.00 H new ATOM 577 N TRP A 115 -0.131 -5.519 -4.622 1.00 0.00 N ATOM 578 CA TRP A 115 0.851 -5.848 -3.541 1.00 0.00 C ATOM 579 C TRP A 115 0.167 -5.776 -2.172 1.00 0.00 C ATOM 580 O TRP A 115 -0.764 -5.019 -1.974 1.00 0.00 O ATOM 581 CB TRP A 115 1.947 -4.770 -3.625 1.00 0.00 C ATOM 582 CG TRP A 115 2.598 -4.739 -4.979 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.721 -5.786 -5.832 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.239 -3.607 -5.633 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.386 -5.362 -6.971 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.727 -4.026 -6.894 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.435 -2.267 -5.256 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.389 -3.143 -7.752 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.100 -1.377 -6.114 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.576 -1.813 -7.360 1.00 0.00 C ATOM 0 H TRP A 115 -0.288 -4.523 -4.779 1.00 0.00 H new ATOM 0 HA TRP A 115 1.257 -6.852 -3.662 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.514 -3.794 -3.408 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.703 -4.960 -2.863 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.359 -6.788 -5.653 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.598 -5.962 -7.768 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.072 -1.920 -4.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.753 -3.485 -8.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.246 -0.350 -5.813 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.086 -1.123 -8.016 1.00 0.00 H new ATOM 601 N LYS A 116 0.647 -6.535 -1.220 1.00 0.00 N ATOM 602 CA LYS A 116 0.050 -6.503 0.157 1.00 0.00 C ATOM 603 C LYS A 116 0.902 -5.576 1.031 1.00 0.00 C ATOM 604 O LYS A 116 2.070 -5.829 1.221 1.00 0.00 O ATOM 605 CB LYS A 116 0.136 -7.952 0.661 1.00 0.00 C ATOM 606 CG LYS A 116 -1.170 -8.344 1.364 1.00 0.00 C ATOM 607 CD LYS A 116 -1.014 -9.730 2.003 1.00 0.00 C ATOM 608 CE LYS A 116 -1.967 -9.863 3.198 1.00 0.00 C ATOM 609 NZ LYS A 116 -1.933 -11.307 3.570 1.00 0.00 N ATOM 0 H LYS A 116 1.430 -7.179 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.977 -6.137 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.324 -8.625 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.974 -8.057 1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.420 -7.607 2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.992 -8.353 0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.228 -10.506 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.016 -9.876 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.646 -9.235 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.977 -9.549 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.563 -11.471 4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.251 -11.881 2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.962 -11.577 3.825 1.00 0.00 H new ATOM 623 N ALA A 117 0.345 -4.500 1.544 1.00 0.00 N ATOM 624 CA ALA A 117 1.171 -3.560 2.371 1.00 0.00 C ATOM 625 C ALA A 117 0.490 -3.191 3.700 1.00 0.00 C ATOM 626 O ALA A 117 -0.681 -3.442 3.915 1.00 0.00 O ATOM 627 CB ALA A 117 1.312 -2.315 1.500 1.00 0.00 C ATOM 0 H ALA A 117 -0.633 -4.235 1.427 1.00 0.00 H new ATOM 0 HA ALA A 117 2.124 -4.014 2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.905 -1.568 2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.807 -2.579 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.324 -1.908 1.285 1.00 0.00 H new ATOM 633 N ARG A 118 1.234 -2.572 4.585 1.00 0.00 N ATOM 634 CA ARG A 118 0.688 -2.153 5.893 1.00 0.00 C ATOM 635 C ARG A 118 0.734 -0.620 6.005 1.00 0.00 C ATOM 636 O ARG A 118 1.783 -0.010 5.917 1.00 0.00 O ATOM 637 CB ARG A 118 1.613 -2.826 6.916 1.00 0.00 C ATOM 638 CG ARG A 118 1.313 -2.334 8.339 1.00 0.00 C ATOM 639 CD ARG A 118 2.623 -1.963 9.038 1.00 0.00 C ATOM 640 NE ARG A 118 2.281 -1.813 10.488 1.00 0.00 N ATOM 641 CZ ARG A 118 3.224 -1.654 11.400 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.495 -1.597 11.071 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.888 -1.551 12.658 1.00 0.00 N ATOM 0 H ARG A 118 2.217 -2.339 4.443 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.353 -2.439 6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.488 -3.908 6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.653 -2.614 6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.650 -1.470 8.304 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.795 -3.111 8.902 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.377 -2.736 8.892 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.033 -1.037 8.635 1.00 0.00 H new ATOM 0 HE ARG A 118 1.303 -1.834 10.777 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.773 -1.676 10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.204 -1.474 11.794 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.905 -1.594 12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.608 -1.428 13.370 1.00 0.00 H new ATOM 657 N SER A 119 -0.401 -0.005 6.208 1.00 0.00 N ATOM 658 CA SER A 119 -0.449 1.481 6.340 1.00 0.00 C ATOM 659 C SER A 119 0.114 1.900 7.701 1.00 0.00 C ATOM 660 O SER A 119 -0.385 1.490 8.737 1.00 0.00 O ATOM 661 CB SER A 119 -1.933 1.842 6.242 1.00 0.00 C ATOM 662 OG SER A 119 -2.083 3.253 6.345 1.00 0.00 O ATOM 0 H SER A 119 -1.304 -0.472 6.289 1.00 0.00 H new ATOM 0 HA SER A 119 0.142 1.985 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.343 1.490 5.295 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.492 1.347 7.036 1.00 0.00 H new ATOM 0 HG SER A 119 -3.033 3.487 6.281 1.00 0.00 H new ATOM 668 N LEU A 120 1.146 2.711 7.701 1.00 0.00 N ATOM 669 CA LEU A 120 1.758 3.166 8.990 1.00 0.00 C ATOM 670 C LEU A 120 0.823 4.141 9.705 1.00 0.00 C ATOM 671 O LEU A 120 0.820 4.235 10.919 1.00 0.00 O ATOM 672 CB LEU A 120 3.053 3.882 8.589 1.00 0.00 C ATOM 673 CG LEU A 120 4.165 2.853 8.372 1.00 0.00 C ATOM 674 CD1 LEU A 120 5.346 3.520 7.667 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.625 2.308 9.726 1.00 0.00 C ATOM 0 H LEU A 120 1.592 3.078 6.860 1.00 0.00 H new ATOM 0 HA LEU A 120 1.941 2.334 9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.894 4.458 7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.345 4.589 9.366 1.00 0.00 H new ATOM 0 HG LEU A 120 3.788 2.035 7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.138 2.788 7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.020 3.912 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.723 4.337 8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.417 1.575 9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.002 3.127 10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.784 1.833 10.232 1.00 0.00 H new ATOM 687 N ALA A 121 0.033 4.870 8.958 1.00 0.00 N ATOM 688 CA ALA A 121 -0.909 5.849 9.582 1.00 0.00 C ATOM 689 C ALA A 121 -1.854 5.136 10.557 1.00 0.00 C ATOM 690 O ALA A 121 -2.346 5.729 11.499 1.00 0.00 O ATOM 691 CB ALA A 121 -1.690 6.451 8.412 1.00 0.00 C ATOM 0 H ALA A 121 -0.000 4.829 7.939 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.386 6.613 10.157 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.405 7.182 8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.998 6.940 7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.224 5.660 7.885 1.00 0.00 H new ATOM 697 N THR A 122 -2.097 3.867 10.342 1.00 0.00 N ATOM 698 CA THR A 122 -2.997 3.104 11.260 1.00 0.00 C ATOM 699 C THR A 122 -2.408 1.718 11.575 1.00 0.00 C ATOM 700 O THR A 122 -3.068 0.882 12.162 1.00 0.00 O ATOM 701 CB THR A 122 -4.322 2.967 10.499 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.071 2.460 9.195 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.007 4.335 10.389 1.00 0.00 C ATOM 0 H THR A 122 -1.710 3.326 9.569 1.00 0.00 H new ATOM 0 HA THR A 122 -3.125 3.611 12.216 1.00 0.00 H new ATOM 0 HB THR A 122 -4.974 2.281 11.040 1.00 0.00 H new ATOM 0 HG1 THR A 122 -4.918 2.371 8.710 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.947 4.229 9.847 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.206 4.724 11.388 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.356 5.026 9.854 1.00 0.00 H new ATOM 711 N ARG A 123 -1.171 1.461 11.188 1.00 0.00 N ATOM 712 CA ARG A 123 -0.540 0.123 11.457 1.00 0.00 C ATOM 713 C ARG A 123 -1.444 -1.012 10.962 1.00 0.00 C ATOM 714 O ARG A 123 -1.432 -2.103 11.501 1.00 0.00 O ATOM 715 CB ARG A 123 -0.377 0.049 12.976 1.00 0.00 C ATOM 716 CG ARG A 123 0.546 1.175 13.456 1.00 0.00 C ATOM 717 CD ARG A 123 1.163 0.777 14.799 1.00 0.00 C ATOM 718 NE ARG A 123 2.368 1.651 14.964 1.00 0.00 N ATOM 719 CZ ARG A 123 3.009 1.721 16.118 1.00 0.00 C ATOM 720 NH1 ARG A 123 2.589 1.071 17.179 1.00 0.00 N ATOM 721 NH2 ARG A 123 4.082 2.462 16.213 1.00 0.00 N ATOM 0 H ARG A 123 -0.572 2.125 10.696 1.00 0.00 H new ATOM 0 HA ARG A 123 0.413 0.016 10.938 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.350 0.133 13.460 1.00 0.00 H new ATOM 0 HB3 ARG A 123 0.037 -0.919 13.260 1.00 0.00 H new ATOM 0 HG2 ARG A 123 1.330 1.358 12.721 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.016 2.103 13.560 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.456 0.927 15.615 1.00 0.00 H new ATOM 0 HD3 ARG A 123 1.440 -0.277 14.806 1.00 0.00 H new ATOM 0 HE ARG A 123 2.700 2.202 14.172 1.00 0.00 H new ATOM 0 HH11 ARG A 123 1.749 0.495 17.125 1.00 0.00 H new ATOM 0 HH12 ARG A 123 3.103 1.142 18.057 1.00 0.00 H new ATOM 0 HH21 ARG A 123 4.418 2.980 15.401 1.00 0.00 H new ATOM 0 HH22 ARG A 123 4.583 2.522 17.099 1.00 0.00 H new ATOM 735 N LYS A 124 -2.210 -0.767 9.930 1.00 0.00 N ATOM 736 CA LYS A 124 -3.101 -1.837 9.384 1.00 0.00 C ATOM 737 C LYS A 124 -2.451 -2.410 8.136 1.00 0.00 C ATOM 738 O LYS A 124 -1.424 -1.933 7.723 1.00 0.00 O ATOM 739 CB LYS A 124 -4.413 -1.142 9.030 1.00 0.00 C ATOM 740 CG LYS A 124 -5.013 -0.513 10.286 1.00 0.00 C ATOM 741 CD LYS A 124 -6.498 -0.224 10.058 1.00 0.00 C ATOM 742 CE LYS A 124 -7.034 0.649 11.203 1.00 0.00 C ATOM 743 NZ LYS A 124 -7.577 1.871 10.543 1.00 0.00 N ATOM 0 H LYS A 124 -2.258 0.127 9.441 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.269 -2.651 10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.238 -0.376 8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.112 -1.859 8.600 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.889 -1.185 11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.486 0.410 10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.638 0.284 9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -7.057 -1.158 10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.809 0.128 11.765 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.243 0.902 11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -7.820 2.577 11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -6.861 2.266 9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.429 1.623 10.001 1.00 0.00 H new ATOM 757 N GLU A 125 -3.031 -3.412 7.525 1.00 0.00 N ATOM 758 CA GLU A 125 -2.399 -3.977 6.295 1.00 0.00 C ATOM 759 C GLU A 125 -3.413 -4.676 5.397 1.00 0.00 C ATOM 760 O GLU A 125 -4.342 -5.319 5.851 1.00 0.00 O ATOM 761 CB GLU A 125 -1.312 -4.942 6.790 1.00 0.00 C ATOM 762 CG GLU A 125 -1.913 -6.008 7.708 1.00 0.00 C ATOM 763 CD GLU A 125 -1.971 -5.483 9.147 1.00 0.00 C ATOM 764 OE1 GLU A 125 -1.118 -4.686 9.505 1.00 0.00 O ATOM 765 OE2 GLU A 125 -2.868 -5.888 9.868 1.00 0.00 O ATOM 0 H GLU A 125 -3.901 -3.857 7.819 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.975 -3.187 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.827 -5.420 5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.542 -4.387 7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.914 -6.272 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.312 -6.917 7.667 1.00 0.00 H new ATOM 772 N GLY A 126 -3.217 -4.549 4.111 1.00 0.00 N ATOM 773 CA GLY A 126 -4.136 -5.188 3.131 1.00 0.00 C ATOM 774 C GLY A 126 -3.516 -5.116 1.732 1.00 0.00 C ATOM 775 O GLY A 126 -2.314 -5.118 1.573 1.00 0.00 O ATOM 0 H GLY A 126 -2.449 -4.022 3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.316 -6.227 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -5.102 -4.684 3.139 1.00 0.00 H new ATOM 779 N TYR A 127 -4.342 -5.048 0.724 1.00 0.00 N ATOM 780 CA TYR A 127 -3.851 -4.983 -0.685 1.00 0.00 C ATOM 781 C TYR A 127 -3.770 -3.531 -1.164 1.00 0.00 C ATOM 782 O TYR A 127 -4.381 -2.649 -0.590 1.00 0.00 O ATOM 783 CB TYR A 127 -4.912 -5.740 -1.495 1.00 0.00 C ATOM 784 CG TYR A 127 -5.041 -7.159 -0.995 1.00 0.00 C ATOM 785 CD1 TYR A 127 -4.029 -8.095 -1.248 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.179 -7.538 -0.277 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.160 -9.409 -0.779 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.310 -8.847 0.193 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.302 -9.784 -0.057 1.00 0.00 C ATOM 790 OH TYR A 127 -5.432 -11.079 0.403 1.00 0.00 O ATOM 0 H TYR A 127 -5.358 -5.034 0.819 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.853 -5.408 -0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.872 -5.230 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.640 -5.743 -2.550 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.150 -7.804 -1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.959 -6.817 -0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.382 -10.132 -0.974 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.190 -9.136 0.749 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.280 -11.171 0.885 1.00 0.00 H new ATOM 800 N ILE A 128 -3.039 -3.283 -2.225 1.00 0.00 N ATOM 801 CA ILE A 128 -2.934 -1.889 -2.763 1.00 0.00 C ATOM 802 C ILE A 128 -2.577 -1.923 -4.261 1.00 0.00 C ATOM 803 O ILE A 128 -1.498 -2.352 -4.616 1.00 0.00 O ATOM 804 CB ILE A 128 -1.834 -1.168 -1.963 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.597 -2.060 -1.777 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.386 -0.775 -0.593 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.647 -1.173 -1.667 1.00 0.00 C ATOM 0 H ILE A 128 -2.510 -3.986 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.884 -1.364 -2.661 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.531 -0.282 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.705 -2.670 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.497 -2.745 -2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.611 -0.264 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.240 -0.110 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.701 -1.670 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.530 -1.799 -1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.754 -0.582 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.544 -0.506 -0.811 1.00 0.00 H new ATOM 819 N PRO A 129 -3.494 -1.480 -5.107 1.00 0.00 N ATOM 820 CA PRO A 129 -3.231 -1.484 -6.573 1.00 0.00 C ATOM 821 C PRO A 129 -1.923 -0.766 -6.911 1.00 0.00 C ATOM 822 O PRO A 129 -1.814 0.442 -6.815 1.00 0.00 O ATOM 823 CB PRO A 129 -4.422 -0.739 -7.170 1.00 0.00 C ATOM 824 CG PRO A 129 -5.505 -0.852 -6.150 1.00 0.00 C ATOM 825 CD PRO A 129 -4.835 -0.948 -4.804 1.00 0.00 C ATOM 0 HA PRO A 129 -3.124 -2.495 -6.965 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.175 0.304 -7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.727 -1.180 -8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.165 0.014 -6.191 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.121 -1.731 -6.338 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.777 0.026 -4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.383 -1.608 -4.132 1.00 0.00 H new ATOM 833 N SER A 130 -0.940 -1.516 -7.328 1.00 0.00 N ATOM 834 CA SER A 130 0.376 -0.915 -7.705 1.00 0.00 C ATOM 835 C SER A 130 0.207 0.109 -8.840 1.00 0.00 C ATOM 836 O SER A 130 1.084 0.913 -9.095 1.00 0.00 O ATOM 837 CB SER A 130 1.212 -2.091 -8.203 1.00 0.00 C ATOM 838 OG SER A 130 1.119 -3.161 -7.275 1.00 0.00 O ATOM 0 H SER A 130 -0.991 -2.530 -7.425 1.00 0.00 H new ATOM 0 HA SER A 130 0.833 -0.391 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.860 -2.413 -9.183 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.252 -1.788 -8.322 1.00 0.00 H new ATOM 0 HG SER A 130 2.014 -3.388 -6.946 1.00 0.00 H new ATOM 844 N ASN A 131 -0.896 0.051 -9.550 1.00 0.00 N ATOM 845 CA ASN A 131 -1.117 0.985 -10.702 1.00 0.00 C ATOM 846 C ASN A 131 -1.397 2.434 -10.260 1.00 0.00 C ATOM 847 O ASN A 131 -1.585 3.302 -11.094 1.00 0.00 O ATOM 848 CB ASN A 131 -2.328 0.406 -11.445 1.00 0.00 C ATOM 849 CG ASN A 131 -3.546 0.339 -10.511 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.742 1.199 -9.675 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.377 -0.661 -10.620 1.00 0.00 N ATOM 0 H ASN A 131 -1.657 -0.607 -9.380 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.223 1.050 -11.322 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.560 1.024 -12.312 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -2.092 -0.591 -11.818 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.188 -0.719 -10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.215 -1.384 -11.321 1.00 0.00 H new ATOM 858 N TYR A 132 -1.433 2.712 -8.977 1.00 0.00 N ATOM 859 CA TYR A 132 -1.699 4.116 -8.517 1.00 0.00 C ATOM 860 C TYR A 132 -0.831 4.437 -7.296 1.00 0.00 C ATOM 861 O TYR A 132 -1.287 5.050 -6.347 1.00 0.00 O ATOM 862 CB TYR A 132 -3.176 4.135 -8.114 1.00 0.00 C ATOM 863 CG TYR A 132 -4.042 4.463 -9.309 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.789 5.612 -10.069 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.102 3.618 -9.652 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.597 5.910 -11.173 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.909 3.915 -10.754 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.659 5.062 -11.517 1.00 0.00 C ATOM 869 OH TYR A 132 -6.458 5.350 -12.608 1.00 0.00 O ATOM 0 H TYR A 132 -1.290 2.031 -8.231 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.472 4.849 -9.291 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.461 3.166 -7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.336 4.872 -7.327 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.972 6.267 -9.804 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.298 2.734 -9.064 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.402 6.795 -11.761 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.726 3.259 -11.017 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.145 4.657 -12.703 1.00 0.00 H new ATOM 879 N VAL A 133 0.405 4.007 -7.303 1.00 0.00 N ATOM 880 CA VAL A 133 1.287 4.259 -6.125 1.00 0.00 C ATOM 881 C VAL A 133 2.754 4.379 -6.544 1.00 0.00 C ATOM 882 O VAL A 133 3.123 4.082 -7.664 1.00 0.00 O ATOM 883 CB VAL A 133 1.067 3.034 -5.228 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.434 1.756 -5.984 1.00 0.00 C ATOM 885 CG2 VAL A 133 1.921 3.122 -3.967 1.00 0.00 C ATOM 0 H VAL A 133 0.840 3.494 -8.070 1.00 0.00 H new ATOM 0 HA VAL A 133 1.050 5.196 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 133 0.014 3.011 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.274 0.893 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.808 1.666 -6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.482 1.797 -6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.747 2.242 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 133 2.974 3.169 -4.243 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.653 4.018 -3.408 1.00 0.00 H new ATOM 895 N ALA A 134 3.587 4.805 -5.632 1.00 0.00 N ATOM 896 CA ALA A 134 5.048 4.948 -5.942 1.00 0.00 C ATOM 897 C ALA A 134 5.887 4.103 -4.966 1.00 0.00 C ATOM 898 O ALA A 134 5.620 4.059 -3.780 1.00 0.00 O ATOM 899 CB ALA A 134 5.353 6.442 -5.774 1.00 0.00 C ATOM 0 H ALA A 134 3.322 5.062 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 134 5.291 4.600 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.407 6.624 -5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.739 7.019 -6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.130 6.746 -4.751 1.00 0.00 H new ATOM 905 N ARG A 135 6.888 3.416 -5.466 1.00 0.00 N ATOM 906 CA ARG A 135 7.733 2.553 -4.596 1.00 0.00 C ATOM 907 C ARG A 135 9.013 3.279 -4.155 1.00 0.00 C ATOM 908 O ARG A 135 9.735 3.843 -4.955 1.00 0.00 O ATOM 909 CB ARG A 135 8.055 1.355 -5.490 1.00 0.00 C ATOM 910 CG ARG A 135 8.973 0.376 -4.762 1.00 0.00 C ATOM 911 CD ARG A 135 8.156 -0.459 -3.767 1.00 0.00 C ATOM 912 NE ARG A 135 8.744 -1.850 -3.796 1.00 0.00 N ATOM 913 CZ ARG A 135 8.807 -2.579 -4.893 1.00 0.00 C ATOM 914 NH1 ARG A 135 8.240 -2.183 -6.007 1.00 0.00 N ATOM 915 NH2 ARG A 135 9.409 -3.737 -4.860 1.00 0.00 N ATOM 0 H ARG A 135 7.154 3.420 -6.451 1.00 0.00 H new ATOM 0 HA ARG A 135 7.233 2.271 -3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.133 0.851 -5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.533 1.697 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.466 -0.278 -5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.757 0.921 -4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.212 -0.034 -2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.103 -0.476 -4.047 1.00 0.00 H new ATOM 0 HE ARG A 135 9.109 -2.243 -2.928 1.00 0.00 H new ATOM 0 HH11 ARG A 135 7.738 -1.296 -6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 135 8.301 -2.762 -6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 135 9.825 -4.071 -3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 135 9.463 -4.308 -5.703 1.00 0.00 H new ATOM 929 N VAL A 136 9.295 3.244 -2.877 1.00 0.00 N ATOM 930 CA VAL A 136 10.517 3.896 -2.334 1.00 0.00 C ATOM 931 C VAL A 136 11.093 3.057 -1.178 1.00 0.00 C ATOM 932 O VAL A 136 10.488 2.094 -0.734 1.00 0.00 O ATOM 933 CB VAL A 136 10.045 5.251 -1.811 1.00 0.00 C ATOM 934 CG1 VAL A 136 9.536 6.100 -2.974 1.00 0.00 C ATOM 935 CG2 VAL A 136 8.925 5.061 -0.780 1.00 0.00 C ATOM 0 H VAL A 136 8.716 2.781 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 136 11.299 3.995 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 136 10.883 5.757 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.200 7.067 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.340 6.250 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.704 5.590 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.597 6.034 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.085 4.547 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.296 4.467 0.055 1.00 0.00 H new ATOM 945 N ASP A 137 12.248 3.427 -0.682 1.00 0.00 N ATOM 946 CA ASP A 137 12.866 2.678 0.446 1.00 0.00 C ATOM 947 C ASP A 137 12.492 3.337 1.780 1.00 0.00 C ATOM 948 O ASP A 137 11.526 4.070 1.866 1.00 0.00 O ATOM 949 CB ASP A 137 14.382 2.775 0.200 1.00 0.00 C ATOM 950 CG ASP A 137 14.837 4.240 0.237 1.00 0.00 C ATOM 951 OD1 ASP A 137 15.034 4.750 1.327 1.00 0.00 O ATOM 952 OD2 ASP A 137 14.980 4.822 -0.825 1.00 0.00 O ATOM 0 H ASP A 137 12.791 4.223 -1.016 1.00 0.00 H new ATOM 0 HA ASP A 137 12.527 1.643 0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 137 14.917 2.202 0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 137 14.629 2.335 -0.766 1.00 0.00 H new ATOM 957 N SER A 138 13.251 3.076 2.813 1.00 0.00 N ATOM 958 CA SER A 138 12.951 3.679 4.146 1.00 0.00 C ATOM 959 C SER A 138 13.783 4.946 4.354 1.00 0.00 C ATOM 960 O SER A 138 13.250 6.024 4.143 1.00 0.00 O ATOM 961 CB SER A 138 13.347 2.606 5.156 1.00 0.00 C ATOM 962 OG SER A 138 13.082 3.076 6.471 1.00 0.00 O ATOM 0 H SER A 138 14.070 2.468 2.790 1.00 0.00 H new ATOM 0 HA SER A 138 11.905 3.969 4.245 1.00 0.00 H new ATOM 0 HB2 SER A 138 12.790 1.689 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 138 14.405 2.364 5.050 1.00 0.00 H new ATOM 0 HG SER A 138 13.334 2.388 7.121 1.00 0.00 H new TER 968 SER A 138