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 93 HIS : no HD1:sc= 0.00291 X(o=-0.017,f=-0.34) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -0.0201 X(o=-0.017,f=-0.0007) 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 87:sc= 0.121 USER MOD Single : A 98 SER OG : rot 180:sc= -0.101 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= -0.135 X(o=-0.13,f=-0.009) USER MOD Single : A 105 MET CE :methyl -109:sc= -1.52 (180deg=-4.23!) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.358 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 -159:sc= 1.79 USER MOD Single : A 131 ASN : amide:sc= -2.78 K(o=-2.8,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 20.183 -1.969 -0.228 1.00 0.00 N ATOM 2 CA SER A 78 20.158 -0.648 0.464 1.00 0.00 C ATOM 3 C SER A 78 18.719 -0.127 0.569 1.00 0.00 C ATOM 4 O SER A 78 18.235 0.162 1.646 1.00 0.00 O ATOM 5 CB SER A 78 21.005 0.276 -0.410 1.00 0.00 C ATOM 6 OG SER A 78 22.262 0.493 0.218 1.00 0.00 O ATOM 0 HA SER A 78 20.544 -0.710 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 78 21.149 -0.167 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.491 1.226 -0.560 1.00 0.00 H new ATOM 0 HG SER A 78 22.809 1.084 -0.340 1.00 0.00 H new ATOM 12 N GLU A 79 18.040 0.002 -0.544 1.00 0.00 N ATOM 13 CA GLU A 79 16.631 0.515 -0.521 1.00 0.00 C ATOM 14 C GLU A 79 15.724 -0.415 0.293 1.00 0.00 C ATOM 15 O GLU A 79 16.182 -1.353 0.919 1.00 0.00 O ATOM 16 CB GLU A 79 16.178 0.556 -1.985 1.00 0.00 C ATOM 17 CG GLU A 79 16.347 -0.825 -2.629 1.00 0.00 C ATOM 18 CD GLU A 79 15.444 -0.930 -3.859 1.00 0.00 C ATOM 19 OE1 GLU A 79 14.235 -0.922 -3.683 1.00 0.00 O ATOM 20 OE2 GLU A 79 15.973 -1.019 -4.953 1.00 0.00 O ATOM 0 H GLU A 79 18.400 -0.226 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 79 16.575 1.498 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 79 15.135 0.867 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.762 1.295 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.387 -0.980 -2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.094 -1.606 -1.912 1.00 0.00 H new ATOM 27 N ASP A 80 14.438 -0.150 0.291 1.00 0.00 N ATOM 28 CA ASP A 80 13.483 -1.004 1.067 1.00 0.00 C ATOM 29 C ASP A 80 12.205 -1.217 0.243 1.00 0.00 C ATOM 30 O ASP A 80 12.220 -1.043 -0.961 1.00 0.00 O ATOM 31 CB ASP A 80 13.189 -0.205 2.345 1.00 0.00 C ATOM 32 CG ASP A 80 14.502 0.106 3.076 1.00 0.00 C ATOM 33 OD1 ASP A 80 15.325 -0.787 3.182 1.00 0.00 O ATOM 34 OD2 ASP A 80 14.663 1.234 3.512 1.00 0.00 O ATOM 0 H ASP A 80 14.008 0.623 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 80 13.884 -1.991 1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.673 0.722 2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.525 -0.774 2.996 1.00 0.00 H new ATOM 39 N ILE A 81 11.100 -1.583 0.864 1.00 0.00 N ATOM 40 CA ILE A 81 9.846 -1.788 0.067 1.00 0.00 C ATOM 41 C ILE A 81 8.704 -0.884 0.545 1.00 0.00 C ATOM 42 O ILE A 81 7.568 -1.307 0.598 1.00 0.00 O ATOM 43 CB ILE A 81 9.461 -3.275 0.177 1.00 0.00 C ATOM 44 CG1 ILE A 81 8.956 -3.640 1.604 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.646 -4.155 -0.243 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.103 -3.971 2.572 1.00 0.00 C ATOM 0 H ILE A 81 11.015 -1.745 1.868 1.00 0.00 H new ATOM 0 HA ILE A 81 10.027 -1.516 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 81 8.630 -3.463 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.377 -2.808 2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.283 -4.495 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.366 -5.205 -0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.919 -3.930 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.496 -3.955 0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.693 -4.218 3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.667 -4.822 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.763 -3.108 2.662 1.00 0.00 H new ATOM 58 N ILE A 82 8.971 0.361 0.854 1.00 0.00 N ATOM 59 CA ILE A 82 7.849 1.254 1.279 1.00 0.00 C ATOM 60 C ILE A 82 7.360 2.021 0.068 1.00 0.00 C ATOM 61 O ILE A 82 8.140 2.451 -0.753 1.00 0.00 O ATOM 62 CB ILE A 82 8.393 2.213 2.338 1.00 0.00 C ATOM 63 CG1 ILE A 82 9.102 1.426 3.436 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.225 2.995 2.951 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.766 2.392 4.417 1.00 0.00 C ATOM 0 H ILE A 82 9.896 0.791 0.832 1.00 0.00 H new ATOM 0 HA ILE A 82 7.018 0.684 1.694 1.00 0.00 H new ATOM 0 HB ILE A 82 9.101 2.900 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.387 0.793 3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.851 0.766 2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.604 3.682 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.716 3.560 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.523 2.299 3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.271 1.826 5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.493 3.006 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.008 3.034 4.866 1.00 0.00 H new ATOM 77 N VAL A 83 6.077 2.177 -0.061 1.00 0.00 N ATOM 78 CA VAL A 83 5.532 2.899 -1.237 1.00 0.00 C ATOM 79 C VAL A 83 4.599 4.023 -0.788 1.00 0.00 C ATOM 80 O VAL A 83 4.182 4.075 0.356 1.00 0.00 O ATOM 81 CB VAL A 83 4.752 1.833 -2.023 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.706 0.714 -2.473 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.641 1.238 -1.138 1.00 0.00 C ATOM 0 H VAL A 83 5.380 1.834 0.600 1.00 0.00 H new ATOM 0 HA VAL A 83 6.315 3.363 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 83 4.303 2.298 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.147 -0.039 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.484 1.134 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.164 0.253 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.092 0.483 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.086 0.780 -0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.958 2.030 -0.831 1.00 0.00 H new ATOM 93 N VAL A 84 4.251 4.905 -1.684 1.00 0.00 N ATOM 94 CA VAL A 84 3.316 6.006 -1.320 1.00 0.00 C ATOM 95 C VAL A 84 2.080 5.935 -2.219 1.00 0.00 C ATOM 96 O VAL A 84 2.192 5.902 -3.431 1.00 0.00 O ATOM 97 CB VAL A 84 4.093 7.334 -1.523 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.209 7.693 -3.009 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.351 8.476 -0.819 1.00 0.00 C ATOM 0 H VAL A 84 4.573 4.911 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 84 2.973 5.931 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 84 5.091 7.199 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.759 8.628 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.739 6.899 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.212 7.808 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.898 9.408 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.350 8.574 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.277 8.259 0.247 1.00 0.00 H new ATOM 109 N ALA A 85 0.907 5.936 -1.645 1.00 0.00 N ATOM 110 CA ALA A 85 -0.320 5.912 -2.487 1.00 0.00 C ATOM 111 C ALA A 85 -0.398 7.250 -3.193 1.00 0.00 C ATOM 112 O ALA A 85 -0.004 8.241 -2.620 1.00 0.00 O ATOM 113 CB ALA A 85 -1.488 5.774 -1.520 1.00 0.00 C ATOM 0 H ALA A 85 0.747 5.952 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.326 5.105 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.423 5.750 -2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.382 4.850 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.496 6.622 -0.836 1.00 0.00 H new ATOM 119 N LEU A 86 -0.891 7.297 -4.406 1.00 0.00 N ATOM 120 CA LEU A 86 -0.978 8.607 -5.126 1.00 0.00 C ATOM 121 C LEU A 86 -2.432 9.099 -5.199 1.00 0.00 C ATOM 122 O LEU A 86 -2.681 10.257 -5.474 1.00 0.00 O ATOM 123 CB LEU A 86 -0.430 8.339 -6.527 1.00 0.00 C ATOM 124 CG LEU A 86 1.097 8.439 -6.506 1.00 0.00 C ATOM 125 CD1 LEU A 86 1.681 7.606 -7.648 1.00 0.00 C ATOM 126 CD2 LEU A 86 1.516 9.903 -6.680 1.00 0.00 C ATOM 0 H LEU A 86 -1.235 6.491 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.414 9.385 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.736 7.349 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.842 9.059 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 86 1.470 8.063 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.768 7.678 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.385 6.564 -7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.307 7.981 -8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.604 9.974 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.141 10.278 -7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.102 10.499 -5.867 1.00 0.00 H new ATOM 138 N TYR A 87 -3.389 8.237 -4.949 1.00 0.00 N ATOM 139 CA TYR A 87 -4.820 8.669 -4.985 1.00 0.00 C ATOM 140 C TYR A 87 -5.632 7.839 -3.984 1.00 0.00 C ATOM 141 O TYR A 87 -5.256 6.738 -3.625 1.00 0.00 O ATOM 142 CB TYR A 87 -5.313 8.419 -6.413 1.00 0.00 C ATOM 143 CG TYR A 87 -4.470 9.187 -7.401 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.783 10.519 -7.708 1.00 0.00 C ATOM 145 CD2 TYR A 87 -3.378 8.567 -8.017 1.00 0.00 C ATOM 146 CE1 TYR A 87 -4.002 11.226 -8.628 1.00 0.00 C ATOM 147 CE2 TYR A 87 -2.600 9.273 -8.940 1.00 0.00 C ATOM 148 CZ TYR A 87 -2.909 10.604 -9.245 1.00 0.00 C ATOM 149 OH TYR A 87 -2.140 11.302 -10.154 1.00 0.00 O ATOM 0 H TYR A 87 -3.240 7.254 -4.722 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.931 9.719 -4.715 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -5.269 7.353 -6.639 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.356 8.721 -6.503 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.627 10.999 -7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.135 7.542 -7.780 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.242 12.252 -8.863 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.760 8.791 -9.418 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.422 10.724 -10.487 1.00 0.00 H new ATOM 159 N ASP A 88 -6.715 8.384 -3.503 1.00 0.00 N ATOM 160 CA ASP A 88 -7.557 7.660 -2.494 1.00 0.00 C ATOM 161 C ASP A 88 -8.011 6.290 -3.015 1.00 0.00 C ATOM 162 O ASP A 88 -8.217 6.100 -4.198 1.00 0.00 O ATOM 163 CB ASP A 88 -8.775 8.556 -2.266 1.00 0.00 C ATOM 164 CG ASP A 88 -8.358 9.789 -1.462 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.608 9.623 -0.514 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.793 10.873 -1.807 1.00 0.00 O ATOM 0 H ASP A 88 -7.060 9.308 -3.765 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.994 7.474 -1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.201 8.859 -3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.550 8.006 -1.732 1.00 0.00 H new ATOM 171 N TYR A 89 -8.188 5.344 -2.123 1.00 0.00 N ATOM 172 CA TYR A 89 -8.656 3.977 -2.538 1.00 0.00 C ATOM 173 C TYR A 89 -9.356 3.272 -1.364 1.00 0.00 C ATOM 174 O TYR A 89 -8.807 3.159 -0.285 1.00 0.00 O ATOM 175 CB TYR A 89 -7.391 3.213 -2.946 1.00 0.00 C ATOM 176 CG TYR A 89 -7.773 1.836 -3.444 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.450 1.693 -4.661 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.463 0.703 -2.678 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.815 0.418 -5.115 1.00 0.00 C ATOM 180 CE2 TYR A 89 -7.828 -0.572 -3.132 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.506 -0.715 -4.349 1.00 0.00 C ATOM 182 OH TYR A 89 -8.862 -1.972 -4.795 1.00 0.00 O ATOM 0 H TYR A 89 -8.029 5.458 -1.122 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.376 4.027 -3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.859 3.759 -3.725 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.714 3.129 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.691 2.565 -5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.943 0.813 -1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.335 0.308 -6.055 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.586 -1.444 -2.543 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.156 -2.325 -5.376 1.00 0.00 H new ATOM 192 N GLU A 90 -10.560 2.795 -1.570 1.00 0.00 N ATOM 193 CA GLU A 90 -11.301 2.096 -0.474 1.00 0.00 C ATOM 194 C GLU A 90 -11.212 0.573 -0.650 1.00 0.00 C ATOM 195 O GLU A 90 -11.459 0.045 -1.718 1.00 0.00 O ATOM 196 CB GLU A 90 -12.747 2.574 -0.615 1.00 0.00 C ATOM 197 CG GLU A 90 -13.500 2.348 0.699 1.00 0.00 C ATOM 198 CD GLU A 90 -12.922 3.256 1.786 1.00 0.00 C ATOM 199 OE1 GLU A 90 -12.698 4.422 1.500 1.00 0.00 O ATOM 200 OE2 GLU A 90 -12.714 2.773 2.886 1.00 0.00 O ATOM 0 H GLU A 90 -11.063 2.860 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.890 2.318 0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.766 3.632 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.240 2.036 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.561 2.558 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.418 1.304 1.002 1.00 0.00 H new ATOM 207 N ALA A 91 -10.857 -0.137 0.397 1.00 0.00 N ATOM 208 CA ALA A 91 -10.737 -1.633 0.313 1.00 0.00 C ATOM 209 C ALA A 91 -12.002 -2.265 -0.287 1.00 0.00 C ATOM 210 O ALA A 91 -13.053 -1.656 -0.325 1.00 0.00 O ATOM 211 CB ALA A 91 -10.555 -2.099 1.759 1.00 0.00 C ATOM 0 H ALA A 91 -10.643 0.257 1.313 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.909 -1.928 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.460 -3.185 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.655 -1.647 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.420 -1.798 2.350 1.00 0.00 H new ATOM 217 N ILE A 92 -11.896 -3.490 -0.745 1.00 0.00 N ATOM 218 CA ILE A 92 -13.081 -4.195 -1.329 1.00 0.00 C ATOM 219 C ILE A 92 -12.919 -5.710 -1.170 1.00 0.00 C ATOM 220 O ILE A 92 -13.369 -6.477 -1.999 1.00 0.00 O ATOM 221 CB ILE A 92 -13.125 -3.817 -2.818 1.00 0.00 C ATOM 222 CG1 ILE A 92 -11.778 -4.112 -3.489 1.00 0.00 C ATOM 223 CG2 ILE A 92 -13.451 -2.331 -2.965 1.00 0.00 C ATOM 224 CD1 ILE A 92 -12.016 -4.552 -4.936 1.00 0.00 C ATOM 0 H ILE A 92 -11.034 -4.035 -0.739 1.00 0.00 H new ATOM 0 HA ILE A 92 -14.003 -3.906 -0.825 1.00 0.00 H new ATOM 0 HB ILE A 92 -13.898 -4.412 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -11.146 -3.224 -3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -11.250 -4.893 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -13.481 -2.068 -4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -14.421 -2.125 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.684 -1.739 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -11.059 -4.762 -5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -12.632 -5.451 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -12.526 -3.756 -5.479 1.00 0.00 H new ATOM 236 N HIS A 93 -12.284 -6.146 -0.108 1.00 0.00 N ATOM 237 CA HIS A 93 -12.103 -7.617 0.112 1.00 0.00 C ATOM 238 C HIS A 93 -11.636 -7.895 1.546 1.00 0.00 C ATOM 239 O HIS A 93 -11.632 -7.023 2.393 1.00 0.00 O ATOM 240 CB HIS A 93 -11.031 -8.048 -0.899 1.00 0.00 C ATOM 241 CG HIS A 93 -11.532 -9.217 -1.706 1.00 0.00 C ATOM 242 ND1 HIS A 93 -11.358 -10.533 -1.298 1.00 0.00 N ATOM 243 CD2 HIS A 93 -12.225 -9.281 -2.888 1.00 0.00 C ATOM 244 CE1 HIS A 93 -11.939 -11.322 -2.219 1.00 0.00 C ATOM 245 NE2 HIS A 93 -12.481 -10.611 -3.211 1.00 0.00 N ATOM 0 H HIS A 93 -11.884 -5.548 0.615 1.00 0.00 H new ATOM 0 HA HIS A 93 -13.035 -8.166 -0.025 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -10.786 -7.216 -1.560 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -10.114 -8.321 -0.377 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -12.526 -8.429 -3.479 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -11.964 -12.400 -2.163 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -12.976 -10.966 -4.029 1.00 0.00 H new ATOM 253 N HIS A 94 -11.257 -9.119 1.815 1.00 0.00 N ATOM 254 CA HIS A 94 -10.803 -9.497 3.190 1.00 0.00 C ATOM 255 C HIS A 94 -9.547 -8.707 3.598 1.00 0.00 C ATOM 256 O HIS A 94 -9.627 -7.763 4.362 1.00 0.00 O ATOM 257 CB HIS A 94 -10.501 -10.998 3.109 1.00 0.00 C ATOM 258 CG HIS A 94 -11.775 -11.747 2.825 1.00 0.00 C ATOM 259 ND1 HIS A 94 -12.699 -12.037 3.816 1.00 0.00 N ATOM 260 CD2 HIS A 94 -12.298 -12.256 1.662 1.00 0.00 C ATOM 261 CE1 HIS A 94 -13.724 -12.691 3.236 1.00 0.00 C ATOM 262 NE2 HIS A 94 -13.530 -12.850 1.924 1.00 0.00 N ATOM 0 H HIS A 94 -11.242 -9.880 1.136 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.559 -9.270 3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.769 -11.192 2.325 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.063 -11.344 4.046 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -11.826 -12.204 0.692 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -14.596 -13.044 3.767 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -14.151 -13.308 1.257 1.00 0.00 H new ATOM 270 N GLU A 95 -8.389 -9.093 3.111 1.00 0.00 N ATOM 271 CA GLU A 95 -7.133 -8.369 3.487 1.00 0.00 C ATOM 272 C GLU A 95 -6.873 -7.197 2.535 1.00 0.00 C ATOM 273 O GLU A 95 -5.777 -7.039 2.034 1.00 0.00 O ATOM 274 CB GLU A 95 -6.014 -9.410 3.367 1.00 0.00 C ATOM 275 CG GLU A 95 -4.898 -9.124 4.390 1.00 0.00 C ATOM 276 CD GLU A 95 -5.446 -9.280 5.810 1.00 0.00 C ATOM 277 OE1 GLU A 95 -5.616 -10.412 6.236 1.00 0.00 O ATOM 278 OE2 GLU A 95 -5.674 -8.269 6.453 1.00 0.00 O ATOM 0 H GLU A 95 -8.261 -9.877 2.471 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.197 -7.949 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.419 -10.408 3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.603 -9.395 2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.065 -9.809 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.512 -8.115 4.248 1.00 0.00 H new ATOM 285 N ASP A 96 -7.858 -6.367 2.295 1.00 0.00 N ATOM 286 CA ASP A 96 -7.638 -5.198 1.392 1.00 0.00 C ATOM 287 C ASP A 96 -7.294 -3.971 2.246 1.00 0.00 C ATOM 288 O ASP A 96 -7.573 -3.939 3.431 1.00 0.00 O ATOM 289 CB ASP A 96 -8.941 -5.014 0.619 1.00 0.00 C ATOM 290 CG ASP A 96 -8.620 -4.617 -0.826 1.00 0.00 C ATOM 291 OD1 ASP A 96 -7.662 -3.885 -1.019 1.00 0.00 O ATOM 292 OD2 ASP A 96 -9.332 -5.057 -1.712 1.00 0.00 O ATOM 0 H ASP A 96 -8.798 -6.448 2.683 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.812 -5.344 0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.520 -5.937 0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.553 -4.246 1.092 1.00 0.00 H new ATOM 297 N LEU A 97 -6.666 -2.977 1.667 1.00 0.00 N ATOM 298 CA LEU A 97 -6.276 -1.767 2.461 1.00 0.00 C ATOM 299 C LEU A 97 -6.901 -0.498 1.875 1.00 0.00 C ATOM 300 O LEU A 97 -6.746 -0.206 0.704 1.00 0.00 O ATOM 301 CB LEU A 97 -4.748 -1.712 2.335 1.00 0.00 C ATOM 302 CG LEU A 97 -4.124 -0.934 3.506 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.655 0.499 3.541 1.00 0.00 C ATOM 304 CD2 LEU A 97 -4.456 -1.622 4.828 1.00 0.00 C ATOM 0 H LEU A 97 -6.406 -2.950 0.681 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.616 -1.827 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.345 -2.725 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.474 -1.238 1.392 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.043 -0.913 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.203 1.034 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.404 1.003 2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.738 0.483 3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.010 -1.064 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.538 -1.658 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.058 -2.637 4.820 1.00 0.00 H new ATOM 316 N SER A 98 -7.582 0.268 2.689 1.00 0.00 N ATOM 317 CA SER A 98 -8.189 1.536 2.194 1.00 0.00 C ATOM 318 C SER A 98 -7.265 2.702 2.533 1.00 0.00 C ATOM 319 O SER A 98 -7.340 3.270 3.608 1.00 0.00 O ATOM 320 CB SER A 98 -9.504 1.701 2.945 1.00 0.00 C ATOM 321 OG SER A 98 -10.068 0.425 3.232 1.00 0.00 O ATOM 0 H SER A 98 -7.743 0.068 3.676 1.00 0.00 H new ATOM 0 HA SER A 98 -8.343 1.514 1.115 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.336 2.250 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.201 2.289 2.348 1.00 0.00 H new ATOM 0 HG SER A 98 -10.912 0.542 3.716 1.00 0.00 H new ATOM 327 N PHE A 99 -6.406 3.064 1.625 1.00 0.00 N ATOM 328 CA PHE A 99 -5.474 4.205 1.888 1.00 0.00 C ATOM 329 C PHE A 99 -6.027 5.490 1.265 1.00 0.00 C ATOM 330 O PHE A 99 -7.146 5.524 0.784 1.00 0.00 O ATOM 331 CB PHE A 99 -4.105 3.825 1.290 1.00 0.00 C ATOM 332 CG PHE A 99 -4.213 3.360 -0.146 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.185 4.294 -1.182 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.298 1.993 -0.440 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.249 3.870 -2.515 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.356 1.565 -1.775 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.332 2.507 -2.813 1.00 0.00 C ATOM 0 H PHE A 99 -6.305 2.623 0.711 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.369 4.392 2.957 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.437 4.685 1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.655 3.036 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.114 5.347 -0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.319 1.269 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.234 4.597 -3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.419 0.511 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.378 2.180 -3.841 1.00 0.00 H new ATOM 347 N GLN A 100 -5.267 6.551 1.305 1.00 0.00 N ATOM 348 CA GLN A 100 -5.760 7.847 0.753 1.00 0.00 C ATOM 349 C GLN A 100 -4.882 8.330 -0.408 1.00 0.00 C ATOM 350 O GLN A 100 -4.111 7.583 -0.979 1.00 0.00 O ATOM 351 CB GLN A 100 -5.690 8.827 1.931 1.00 0.00 C ATOM 352 CG GLN A 100 -7.096 9.066 2.491 1.00 0.00 C ATOM 353 CD GLN A 100 -7.148 10.435 3.174 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.982 10.534 4.373 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.370 11.503 2.457 1.00 0.00 N ATOM 0 H GLN A 100 -4.325 6.577 1.696 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.768 7.756 0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.041 8.427 2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.253 9.771 1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.831 9.020 1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.353 8.282 3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.510 11.421 1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.404 12.419 2.904 1.00 0.00 H new ATOM 364 N LYS A 101 -5.024 9.578 -0.767 1.00 0.00 N ATOM 365 CA LYS A 101 -4.240 10.146 -1.909 1.00 0.00 C ATOM 366 C LYS A 101 -2.726 9.936 -1.757 1.00 0.00 C ATOM 367 O LYS A 101 -2.219 8.945 -2.205 1.00 0.00 O ATOM 368 CB LYS A 101 -4.639 11.620 -1.975 1.00 0.00 C ATOM 369 CG LYS A 101 -4.147 12.243 -3.290 1.00 0.00 C ATOM 370 CD LYS A 101 -5.317 12.927 -4.000 1.00 0.00 C ATOM 371 CE LYS A 101 -6.329 11.869 -4.443 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.544 12.640 -4.826 1.00 0.00 N ATOM 0 H LYS A 101 -5.656 10.238 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.469 9.634 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.722 11.715 -1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.214 12.158 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.357 12.966 -3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.718 11.473 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.793 13.645 -3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.957 13.486 -4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.950 11.286 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.544 11.166 -3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.286 11.984 -5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.886 13.180 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.310 13.296 -5.598 1.00 0.00 H new ATOM 386 N GLY A 102 -2.008 10.851 -1.159 1.00 0.00 N ATOM 387 CA GLY A 102 -0.522 10.711 -1.012 1.00 0.00 C ATOM 388 C GLY A 102 -0.200 10.067 0.333 1.00 0.00 C ATOM 389 O GLY A 102 0.389 10.675 1.205 1.00 0.00 O ATOM 0 H GLY A 102 -2.393 11.706 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.122 10.103 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.046 11.689 -1.082 1.00 0.00 H new ATOM 393 N ASP A 103 -0.596 8.837 0.497 1.00 0.00 N ATOM 394 CA ASP A 103 -0.334 8.118 1.790 1.00 0.00 C ATOM 395 C ASP A 103 0.987 7.348 1.747 1.00 0.00 C ATOM 396 O ASP A 103 1.557 7.154 0.703 1.00 0.00 O ATOM 397 CB ASP A 103 -1.514 7.166 1.972 1.00 0.00 C ATOM 398 CG ASP A 103 -2.623 7.888 2.738 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.831 9.060 2.474 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.246 7.257 3.577 1.00 0.00 O ATOM 0 H ASP A 103 -1.092 8.290 -0.207 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.244 8.818 2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -1.882 6.833 1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.199 6.276 2.516 1.00 0.00 H new ATOM 405 N GLN A 104 1.458 6.885 2.878 1.00 0.00 N ATOM 406 CA GLN A 104 2.727 6.099 2.907 1.00 0.00 C ATOM 407 C GLN A 104 2.487 4.733 3.552 1.00 0.00 C ATOM 408 O GLN A 104 2.079 4.634 4.693 1.00 0.00 O ATOM 409 CB GLN A 104 3.713 6.921 3.744 1.00 0.00 C ATOM 410 CG GLN A 104 4.516 7.861 2.832 1.00 0.00 C ATOM 411 CD GLN A 104 6.006 7.761 3.180 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.639 8.752 3.485 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.592 6.593 3.148 1.00 0.00 N ATOM 0 H GLN A 104 1.015 7.019 3.787 1.00 0.00 H new ATOM 0 HA GLN A 104 3.112 5.919 1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.173 7.500 4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.389 6.256 4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.357 7.595 1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 104 4.171 8.887 2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.059 5.762 2.892 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.582 6.513 3.379 1.00 0.00 H new ATOM 422 N MET A 105 2.741 3.684 2.818 1.00 0.00 N ATOM 423 CA MET A 105 2.539 2.309 3.358 1.00 0.00 C ATOM 424 C MET A 105 3.805 1.489 3.135 1.00 0.00 C ATOM 425 O MET A 105 4.595 1.777 2.256 1.00 0.00 O ATOM 426 CB MET A 105 1.375 1.728 2.550 1.00 0.00 C ATOM 427 CG MET A 105 0.063 2.412 2.961 1.00 0.00 C ATOM 428 SD MET A 105 -0.395 3.664 1.734 1.00 0.00 S ATOM 429 CE MET A 105 -0.627 2.541 0.334 1.00 0.00 C ATOM 0 H MET A 105 3.083 3.721 1.858 1.00 0.00 H new ATOM 0 HA MET A 105 2.327 2.304 4.427 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.553 1.872 1.484 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.304 0.653 2.719 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.731 1.670 3.050 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.177 2.876 3.941 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.182 2.681 -0.383 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.622 1.511 0.689 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.581 2.754 -0.149 1.00 0.00 H new ATOM 439 N VAL A 106 3.997 0.467 3.916 1.00 0.00 N ATOM 440 CA VAL A 106 5.202 -0.391 3.748 1.00 0.00 C ATOM 441 C VAL A 106 4.763 -1.667 3.044 1.00 0.00 C ATOM 442 O VAL A 106 3.640 -2.090 3.191 1.00 0.00 O ATOM 443 CB VAL A 106 5.694 -0.712 5.163 1.00 0.00 C ATOM 444 CG1 VAL A 106 7.029 -1.448 5.093 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.871 0.578 5.975 1.00 0.00 C ATOM 0 H VAL A 106 3.368 0.186 4.668 1.00 0.00 H new ATOM 0 HA VAL A 106 5.990 0.087 3.166 1.00 0.00 H new ATOM 0 HB VAL A 106 4.951 -1.342 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.374 -1.673 6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.904 -2.377 4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.765 -0.820 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.221 0.332 6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.602 1.220 5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.916 1.100 6.042 1.00 0.00 H new ATOM 455 N VAL A 107 5.619 -2.293 2.295 1.00 0.00 N ATOM 456 CA VAL A 107 5.195 -3.550 1.597 1.00 0.00 C ATOM 457 C VAL A 107 5.599 -4.773 2.423 1.00 0.00 C ATOM 458 O VAL A 107 6.674 -4.842 2.988 1.00 0.00 O ATOM 459 CB VAL A 107 5.876 -3.542 0.223 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.541 -4.832 -0.534 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.369 -2.346 -0.585 1.00 0.00 C ATOM 0 H VAL A 107 6.583 -2.001 2.132 1.00 0.00 H new ATOM 0 HA VAL A 107 4.113 -3.599 1.477 1.00 0.00 H new ATOM 0 HB VAL A 107 6.955 -3.471 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.028 -4.819 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.894 -5.691 0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.462 -4.905 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.851 -2.337 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.289 -2.425 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.605 -1.423 -0.056 1.00 0.00 H new ATOM 471 N LEU A 108 4.729 -5.735 2.476 1.00 0.00 N ATOM 472 CA LEU A 108 5.003 -6.982 3.239 1.00 0.00 C ATOM 473 C LEU A 108 5.514 -8.062 2.286 1.00 0.00 C ATOM 474 O LEU A 108 6.272 -8.937 2.660 1.00 0.00 O ATOM 475 CB LEU A 108 3.633 -7.417 3.769 1.00 0.00 C ATOM 476 CG LEU A 108 3.181 -6.547 4.943 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.391 -5.354 4.422 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.280 -7.382 5.860 1.00 0.00 C ATOM 0 H LEU A 108 3.820 -5.711 2.014 1.00 0.00 H new ATOM 0 HA LEU A 108 5.743 -6.831 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.897 -7.358 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.678 -8.459 4.084 1.00 0.00 H new ATOM 0 HG LEU A 108 4.053 -6.192 5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.070 -4.736 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.020 -4.764 3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.516 -5.707 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.951 -6.772 6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.411 -7.727 5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.837 -8.242 6.232 1.00 0.00 H new ATOM 490 N GLU A 109 5.072 -8.009 1.058 1.00 0.00 N ATOM 491 CA GLU A 109 5.482 -9.029 0.053 1.00 0.00 C ATOM 492 C GLU A 109 5.339 -8.455 -1.363 1.00 0.00 C ATOM 493 O GLU A 109 4.580 -7.530 -1.589 1.00 0.00 O ATOM 494 CB GLU A 109 4.496 -10.184 0.261 1.00 0.00 C ATOM 495 CG GLU A 109 5.041 -11.157 1.311 1.00 0.00 C ATOM 496 CD GLU A 109 4.562 -12.574 0.986 1.00 0.00 C ATOM 497 OE1 GLU A 109 5.170 -13.203 0.134 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.595 -13.004 1.591 1.00 0.00 O ATOM 0 H GLU A 109 4.437 -7.293 0.706 1.00 0.00 H new ATOM 0 HA GLU A 109 6.520 -9.342 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.530 -9.795 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.332 -10.707 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.130 -11.123 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.701 -10.865 2.305 1.00 0.00 H new ATOM 505 N GLU A 110 6.040 -9.010 -2.318 1.00 0.00 N ATOM 506 CA GLU A 110 5.929 -8.515 -3.730 1.00 0.00 C ATOM 507 C GLU A 110 4.993 -9.434 -4.525 1.00 0.00 C ATOM 508 O GLU A 110 4.867 -10.604 -4.215 1.00 0.00 O ATOM 509 CB GLU A 110 7.351 -8.596 -4.284 1.00 0.00 C ATOM 510 CG GLU A 110 8.246 -7.598 -3.548 1.00 0.00 C ATOM 511 CD GLU A 110 9.693 -8.093 -3.582 1.00 0.00 C ATOM 512 OE1 GLU A 110 10.372 -7.813 -4.556 1.00 0.00 O ATOM 513 OE2 GLU A 110 10.098 -8.741 -2.631 1.00 0.00 O ATOM 0 H GLU A 110 6.687 -9.787 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 110 5.524 -7.505 -3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.741 -9.607 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.349 -8.379 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 110 8.175 -6.616 -4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.913 -7.485 -2.516 1.00 0.00 H new ATOM 520 N SER A 111 4.332 -8.923 -5.539 1.00 0.00 N ATOM 521 CA SER A 111 3.407 -9.792 -6.334 1.00 0.00 C ATOM 522 C SER A 111 3.378 -9.370 -7.811 1.00 0.00 C ATOM 523 O SER A 111 3.945 -10.031 -8.662 1.00 0.00 O ATOM 524 CB SER A 111 2.030 -9.610 -5.692 1.00 0.00 C ATOM 525 OG SER A 111 1.017 -9.991 -6.617 1.00 0.00 O ATOM 0 H SER A 111 4.392 -7.952 -5.847 1.00 0.00 H new ATOM 0 HA SER A 111 3.729 -10.833 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.957 -10.214 -4.788 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.891 -8.571 -5.393 1.00 0.00 H new ATOM 0 HG SER A 111 0.136 -9.875 -6.203 1.00 0.00 H new ATOM 531 N GLY A 112 2.706 -8.291 -8.121 1.00 0.00 N ATOM 532 CA GLY A 112 2.621 -7.832 -9.540 1.00 0.00 C ATOM 533 C GLY A 112 1.889 -6.491 -9.592 1.00 0.00 C ATOM 534 O GLY A 112 2.489 -5.445 -9.444 1.00 0.00 O ATOM 0 H GLY A 112 2.210 -7.705 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.621 -7.731 -9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.094 -8.571 -10.143 1.00 0.00 H new ATOM 538 N GLU A 113 0.594 -6.518 -9.787 1.00 0.00 N ATOM 539 CA GLU A 113 -0.193 -5.248 -9.830 1.00 0.00 C ATOM 540 C GLU A 113 -0.820 -4.984 -8.455 1.00 0.00 C ATOM 541 O GLU A 113 -1.074 -3.852 -8.084 1.00 0.00 O ATOM 542 CB GLU A 113 -1.277 -5.488 -10.880 1.00 0.00 C ATOM 543 CG GLU A 113 -1.558 -4.186 -11.639 1.00 0.00 C ATOM 544 CD GLU A 113 -3.055 -4.080 -11.940 1.00 0.00 C ATOM 545 OE1 GLU A 113 -3.840 -4.383 -11.056 1.00 0.00 O ATOM 546 OE2 GLU A 113 -3.391 -3.695 -13.048 1.00 0.00 O ATOM 0 H GLU A 113 0.046 -7.368 -9.919 1.00 0.00 H new ATOM 0 HA GLU A 113 0.421 -4.382 -10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.958 -6.264 -11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.189 -5.845 -10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.235 -3.331 -11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.988 -4.164 -12.568 1.00 0.00 H new ATOM 553 N TRP A 114 -1.067 -6.026 -7.701 1.00 0.00 N ATOM 554 CA TRP A 114 -1.667 -5.861 -6.342 1.00 0.00 C ATOM 555 C TRP A 114 -0.621 -6.210 -5.278 1.00 0.00 C ATOM 556 O TRP A 114 -0.290 -7.367 -5.089 1.00 0.00 O ATOM 557 CB TRP A 114 -2.824 -6.863 -6.287 1.00 0.00 C ATOM 558 CG TRP A 114 -3.886 -6.467 -7.260 1.00 0.00 C ATOM 559 CD1 TRP A 114 -3.863 -6.746 -8.582 1.00 0.00 C ATOM 560 CD2 TRP A 114 -5.126 -5.734 -7.016 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.003 -6.227 -9.169 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.813 -5.597 -8.246 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.716 -5.180 -5.863 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -7.038 -4.934 -8.331 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.950 -4.514 -5.945 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.611 -4.392 -7.177 1.00 0.00 C ATOM 0 H TRP A 114 -0.877 -6.991 -7.971 1.00 0.00 H new ATOM 0 HA TRP A 114 -2.005 -4.841 -6.158 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.461 -7.864 -6.519 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.237 -6.900 -5.279 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.082 -7.286 -9.096 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.219 -6.301 -10.163 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -5.216 -5.268 -4.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.540 -4.840 -9.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.393 -4.093 -5.054 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.560 -3.880 -7.233 1.00 0.00 H new ATOM 577 N TRP A 115 -0.097 -5.230 -4.584 1.00 0.00 N ATOM 578 CA TRP A 115 0.929 -5.523 -3.534 1.00 0.00 C ATOM 579 C TRP A 115 0.282 -5.515 -2.148 1.00 0.00 C ATOM 580 O TRP A 115 -0.638 -4.761 -1.889 1.00 0.00 O ATOM 581 CB TRP A 115 1.959 -4.386 -3.622 1.00 0.00 C ATOM 582 CG TRP A 115 2.702 -4.399 -4.932 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.706 -5.404 -5.848 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.566 -3.357 -5.474 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.510 -5.035 -6.916 1.00 0.00 N ATOM 586 CE2 TRP A 115 4.062 -3.783 -6.731 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.960 -2.092 -4.998 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.916 -2.979 -7.490 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.820 -1.282 -5.759 1.00 0.00 C ATOM 590 CH2 TRP A 115 5.297 -1.725 -7.001 1.00 0.00 C ATOM 0 H TRP A 115 -0.333 -4.244 -4.698 1.00 0.00 H new ATOM 0 HA TRP A 115 1.385 -6.501 -3.687 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.453 -3.428 -3.502 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.670 -4.476 -2.801 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.170 -6.337 -5.758 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.674 -5.617 -7.737 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.599 -1.742 -4.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 5.279 -3.323 -8.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 5.115 -0.313 -5.385 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.959 -1.098 -7.580 1.00 0.00 H new ATOM 601 N LYS A 116 0.784 -6.322 -1.249 1.00 0.00 N ATOM 602 CA LYS A 116 0.227 -6.352 0.137 1.00 0.00 C ATOM 603 C LYS A 116 1.088 -5.450 1.025 1.00 0.00 C ATOM 604 O LYS A 116 2.239 -5.755 1.274 1.00 0.00 O ATOM 605 CB LYS A 116 0.338 -7.814 0.580 1.00 0.00 C ATOM 606 CG LYS A 116 -0.939 -8.232 1.314 1.00 0.00 C ATOM 607 CD LYS A 116 -0.738 -9.615 1.938 1.00 0.00 C ATOM 608 CE LYS A 116 -1.636 -9.758 3.169 1.00 0.00 C ATOM 609 NZ LYS A 116 -1.436 -11.159 3.638 1.00 0.00 N ATOM 0 H LYS A 116 1.559 -6.964 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.803 -5.999 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.496 -8.455 -0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.202 -7.941 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.182 -7.504 2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.780 -8.253 0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.975 -10.391 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.306 -9.750 2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.361 -9.041 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.680 -9.572 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.021 -11.330 4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.713 -11.820 2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.434 -11.306 3.877 1.00 0.00 H new ATOM 623 N ALA A 117 0.558 -4.339 1.484 1.00 0.00 N ATOM 624 CA ALA A 117 1.376 -3.413 2.327 1.00 0.00 C ATOM 625 C ALA A 117 0.678 -3.081 3.654 1.00 0.00 C ATOM 626 O ALA A 117 -0.486 -3.376 3.860 1.00 0.00 O ATOM 627 CB ALA A 117 1.515 -2.146 1.481 1.00 0.00 C ATOM 0 H ALA A 117 -0.401 -4.037 1.311 1.00 0.00 H new ATOM 0 HA ALA A 117 2.334 -3.860 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.104 -1.408 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.014 -2.388 0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.526 -1.738 1.272 1.00 0.00 H new ATOM 633 N ARG A 118 1.398 -2.453 4.553 1.00 0.00 N ATOM 634 CA ARG A 118 0.820 -2.081 5.860 1.00 0.00 C ATOM 635 C ARG A 118 0.748 -0.557 5.977 1.00 0.00 C ATOM 636 O ARG A 118 1.742 0.136 5.860 1.00 0.00 O ATOM 637 CB ARG A 118 1.786 -2.680 6.897 1.00 0.00 C ATOM 638 CG ARG A 118 1.422 -2.216 8.316 1.00 0.00 C ATOM 639 CD ARG A 118 2.680 -1.730 9.047 1.00 0.00 C ATOM 640 NE ARG A 118 2.261 -1.550 10.475 1.00 0.00 N ATOM 641 CZ ARG A 118 3.143 -1.284 11.420 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.414 -1.105 11.145 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.740 -1.190 12.658 1.00 0.00 N ATOM 0 H ARG A 118 2.373 -2.184 4.424 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.195 -2.452 6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.752 -3.768 6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.808 -2.382 6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.686 -1.413 8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.963 -3.036 8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.489 -2.455 8.963 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.045 -0.795 8.623 1.00 0.00 H new ATOM 0 HE ARG A 118 1.275 -1.635 10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.741 -1.170 10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.074 -0.901 11.895 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.754 -1.322 12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.411 -0.985 13.399 1.00 0.00 H new ATOM 657 N SER A 119 -0.426 -0.039 6.223 1.00 0.00 N ATOM 658 CA SER A 119 -0.583 1.435 6.367 1.00 0.00 C ATOM 659 C SER A 119 -0.109 1.866 7.753 1.00 0.00 C ATOM 660 O SER A 119 -0.716 1.536 8.758 1.00 0.00 O ATOM 661 CB SER A 119 -2.079 1.692 6.205 1.00 0.00 C ATOM 662 OG SER A 119 -2.278 2.985 5.652 1.00 0.00 O ATOM 0 H SER A 119 -1.286 -0.577 6.331 1.00 0.00 H new ATOM 0 HA SER A 119 0.002 1.994 5.636 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.521 0.935 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.579 1.616 7.171 1.00 0.00 H new ATOM 0 HG SER A 119 -3.238 3.151 5.546 1.00 0.00 H new ATOM 668 N LEU A 120 0.980 2.594 7.810 1.00 0.00 N ATOM 669 CA LEU A 120 1.516 3.051 9.128 1.00 0.00 C ATOM 670 C LEU A 120 0.537 4.023 9.793 1.00 0.00 C ATOM 671 O LEU A 120 0.531 4.169 11.001 1.00 0.00 O ATOM 672 CB LEU A 120 2.836 3.761 8.813 1.00 0.00 C ATOM 673 CG LEU A 120 3.839 2.757 8.244 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.771 3.470 7.261 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.664 2.156 9.384 1.00 0.00 C ATOM 0 H LEU A 120 1.521 2.891 6.998 1.00 0.00 H new ATOM 0 HA LEU A 120 1.659 2.217 9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.666 4.565 8.097 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.238 4.219 9.717 1.00 0.00 H new ATOM 0 HG LEU A 120 3.303 1.962 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.487 2.755 6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.184 3.898 6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.307 4.265 7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.379 1.440 8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.201 2.950 9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.001 1.649 10.085 1.00 0.00 H new ATOM 687 N ALA A 121 -0.292 4.685 9.020 1.00 0.00 N ATOM 688 CA ALA A 121 -1.273 5.644 9.621 1.00 0.00 C ATOM 689 C ALA A 121 -2.186 4.903 10.604 1.00 0.00 C ATOM 690 O ALA A 121 -2.627 5.459 11.593 1.00 0.00 O ATOM 691 CB ALA A 121 -2.075 6.204 8.443 1.00 0.00 C ATOM 0 H ALA A 121 -0.332 4.603 8.004 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.784 6.443 10.179 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.814 6.915 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.401 6.708 7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.582 5.388 7.927 1.00 0.00 H new ATOM 697 N THR A 122 -2.450 3.646 10.343 1.00 0.00 N ATOM 698 CA THR A 122 -3.315 2.848 11.264 1.00 0.00 C ATOM 699 C THR A 122 -2.680 1.472 11.542 1.00 0.00 C ATOM 700 O THR A 122 -3.343 0.566 12.010 1.00 0.00 O ATOM 701 CB THR A 122 -4.645 2.682 10.525 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.399 2.207 9.206 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.371 4.028 10.461 1.00 0.00 C ATOM 0 H THR A 122 -2.102 3.138 9.530 1.00 0.00 H new ATOM 0 HA THR A 122 -3.443 3.339 12.229 1.00 0.00 H new ATOM 0 HB THR A 122 -5.268 1.964 11.058 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.251 2.099 8.733 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.317 3.906 9.934 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.562 4.387 11.472 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.751 4.751 9.931 1.00 0.00 H new ATOM 711 N ARG A 123 -1.403 1.307 11.251 1.00 0.00 N ATOM 712 CA ARG A 123 -0.718 -0.015 11.481 1.00 0.00 C ATOM 713 C ARG A 123 -1.549 -1.169 10.903 1.00 0.00 C ATOM 714 O ARG A 123 -1.504 -2.279 11.397 1.00 0.00 O ATOM 715 CB ARG A 123 -0.605 -0.169 13.000 1.00 0.00 C ATOM 716 CG ARG A 123 0.302 0.926 13.575 1.00 0.00 C ATOM 717 CD ARG A 123 -0.557 2.040 14.176 1.00 0.00 C ATOM 718 NE ARG A 123 0.011 3.329 13.643 1.00 0.00 N ATOM 719 CZ ARG A 123 1.249 3.714 13.873 1.00 0.00 C ATOM 720 NH1 ARG A 123 2.043 3.030 14.661 1.00 0.00 N ATOM 721 NH2 ARG A 123 1.681 4.821 13.336 1.00 0.00 N ATOM 0 H ARG A 123 -0.804 2.035 10.862 1.00 0.00 H new ATOM 0 HA ARG A 123 0.256 -0.042 10.992 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.594 -0.108 13.454 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.202 -1.152 13.245 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.957 0.506 14.338 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.943 1.330 12.792 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -1.602 1.925 13.890 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -0.521 2.017 15.265 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.590 3.930 13.079 1.00 0.00 H new ATOM 0 HH11 ARG A 123 1.705 2.179 15.111 1.00 0.00 H new ATOM 0 HH12 ARG A 123 2.998 3.349 14.824 1.00 0.00 H new ATOM 0 HH21 ARG A 123 1.062 5.377 12.746 1.00 0.00 H new ATOM 0 HH22 ARG A 123 2.638 5.131 13.506 1.00 0.00 H new ATOM 735 N LYS A 124 -2.297 -0.911 9.861 1.00 0.00 N ATOM 736 CA LYS A 124 -3.129 -1.992 9.248 1.00 0.00 C ATOM 737 C LYS A 124 -2.388 -2.592 8.063 1.00 0.00 C ATOM 738 O LYS A 124 -1.324 -2.136 7.715 1.00 0.00 O ATOM 739 CB LYS A 124 -4.406 -1.300 8.777 1.00 0.00 C ATOM 740 CG LYS A 124 -5.194 -0.808 9.994 1.00 0.00 C ATOM 741 CD LYS A 124 -6.688 -0.766 9.659 1.00 0.00 C ATOM 742 CE LYS A 124 -7.500 -0.885 10.953 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.636 0.063 10.788 1.00 0.00 N ATOM 0 H LYS A 124 -2.368 0.000 9.408 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.343 -2.799 9.948 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.160 -0.461 8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.013 -1.991 8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.020 -1.469 10.843 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.849 0.184 10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.932 0.165 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.943 -1.579 8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.856 -1.904 11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.895 -0.628 11.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.237 0.036 11.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.268 1.026 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.198 -0.210 9.957 1.00 0.00 H new ATOM 757 N GLU A 125 -2.941 -3.596 7.433 1.00 0.00 N ATOM 758 CA GLU A 125 -2.245 -4.205 6.252 1.00 0.00 C ATOM 759 C GLU A 125 -3.223 -4.906 5.309 1.00 0.00 C ATOM 760 O GLU A 125 -4.088 -5.656 5.717 1.00 0.00 O ATOM 761 CB GLU A 125 -1.183 -5.197 6.780 1.00 0.00 C ATOM 762 CG GLU A 125 -1.589 -5.843 8.114 1.00 0.00 C ATOM 763 CD GLU A 125 -2.883 -6.640 7.942 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.815 -7.732 7.400 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.918 -6.149 8.359 1.00 0.00 O ATOM 0 H GLU A 125 -3.836 -4.020 7.679 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.771 -3.415 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -1.020 -5.978 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.235 -4.675 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.793 -6.499 8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.726 -5.073 8.873 1.00 0.00 H new ATOM 772 N GLY A 126 -3.058 -4.669 4.034 1.00 0.00 N ATOM 773 CA GLY A 126 -3.936 -5.311 3.020 1.00 0.00 C ATOM 774 C GLY A 126 -3.315 -5.132 1.633 1.00 0.00 C ATOM 775 O GLY A 126 -2.127 -4.925 1.502 1.00 0.00 O ATOM 0 H GLY A 126 -2.343 -4.050 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.056 -6.371 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.930 -4.865 3.047 1.00 0.00 H new ATOM 779 N TYR A 127 -4.118 -5.198 0.606 1.00 0.00 N ATOM 780 CA TYR A 127 -3.599 -5.038 -0.790 1.00 0.00 C ATOM 781 C TYR A 127 -3.711 -3.578 -1.214 1.00 0.00 C ATOM 782 O TYR A 127 -4.468 -2.815 -0.646 1.00 0.00 O ATOM 783 CB TYR A 127 -4.524 -5.876 -1.692 1.00 0.00 C ATOM 784 CG TYR A 127 -4.748 -7.259 -1.129 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.708 -8.194 -1.121 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.006 -7.604 -0.624 1.00 0.00 C ATOM 787 CE1 TYR A 127 -3.929 -9.476 -0.606 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.227 -8.881 -0.107 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.188 -9.819 -0.096 1.00 0.00 C ATOM 790 OH TYR A 127 -5.403 -11.085 0.409 1.00 0.00 O ATOM 0 H TYR A 127 -5.123 -5.358 0.672 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.557 -5.351 -0.860 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.482 -5.368 -1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.088 -5.954 -2.688 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -2.737 -7.927 -1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.808 -6.881 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.129 -10.201 -0.602 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.198 -9.145 0.284 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.328 -11.159 0.723 1.00 0.00 H new ATOM 800 N ILE A 128 -2.970 -3.193 -2.217 1.00 0.00 N ATOM 801 CA ILE A 128 -3.022 -1.781 -2.700 1.00 0.00 C ATOM 802 C ILE A 128 -2.647 -1.721 -4.188 1.00 0.00 C ATOM 803 O ILE A 128 -1.495 -1.899 -4.531 1.00 0.00 O ATOM 804 CB ILE A 128 -2.003 -0.985 -1.864 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.681 -1.758 -1.722 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.585 -0.707 -0.478 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.480 -0.766 -1.628 1.00 0.00 C ATOM 0 H ILE A 128 -2.327 -3.799 -2.727 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.024 -1.366 -2.591 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.798 -0.045 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.709 -2.388 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.540 -2.420 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.863 -0.144 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.503 -0.128 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.804 -1.651 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.418 -1.312 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.511 -0.155 -2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.340 -0.123 -0.759 1.00 0.00 H new ATOM 819 N PRO A 129 -3.630 -1.477 -5.042 1.00 0.00 N ATOM 820 CA PRO A 129 -3.370 -1.397 -6.512 1.00 0.00 C ATOM 821 C PRO A 129 -2.107 -0.568 -6.820 1.00 0.00 C ATOM 822 O PRO A 129 -2.119 0.647 -6.808 1.00 0.00 O ATOM 823 CB PRO A 129 -4.632 -0.723 -7.047 1.00 0.00 C ATOM 824 CG PRO A 129 -5.707 -1.126 -6.088 1.00 0.00 C ATOM 825 CD PRO A 129 -5.058 -1.256 -4.737 1.00 0.00 C ATOM 0 HA PRO A 129 -3.180 -2.369 -6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.518 0.360 -7.083 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.860 -1.054 -8.060 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.503 -0.382 -6.064 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.162 -2.069 -6.391 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -5.203 -0.357 -4.137 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.478 -2.088 -4.172 1.00 0.00 H new ATOM 833 N SER A 130 -1.013 -1.243 -7.078 1.00 0.00 N ATOM 834 CA SER A 130 0.285 -0.542 -7.366 1.00 0.00 C ATOM 835 C SER A 130 0.197 0.360 -8.604 1.00 0.00 C ATOM 836 O SER A 130 1.069 1.179 -8.832 1.00 0.00 O ATOM 837 CB SER A 130 1.297 -1.661 -7.610 1.00 0.00 C ATOM 838 OG SER A 130 1.164 -2.645 -6.592 1.00 0.00 O ATOM 0 H SER A 130 -0.960 -2.261 -7.102 1.00 0.00 H new ATOM 0 HA SER A 130 0.562 0.111 -6.538 1.00 0.00 H new ATOM 0 HB2 SER A 130 1.131 -2.110 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.310 -1.257 -7.612 1.00 0.00 H new ATOM 0 HG SER A 130 1.986 -3.176 -6.541 1.00 0.00 H new ATOM 844 N ASN A 131 -0.832 0.225 -9.405 1.00 0.00 N ATOM 845 CA ASN A 131 -0.950 1.095 -10.621 1.00 0.00 C ATOM 846 C ASN A 131 -1.129 2.574 -10.225 1.00 0.00 C ATOM 847 O ASN A 131 -1.028 3.456 -11.056 1.00 0.00 O ATOM 848 CB ASN A 131 -2.179 0.580 -11.380 1.00 0.00 C ATOM 849 CG ASN A 131 -3.411 0.603 -10.468 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.578 1.503 -9.670 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.282 -0.363 -10.550 1.00 0.00 N ATOM 0 H ASN A 131 -1.591 -0.444 -9.273 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.051 1.048 -11.235 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.357 1.198 -12.260 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.998 -0.435 -11.734 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.103 -0.362 -9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.143 -1.120 -11.220 1.00 0.00 H new ATOM 858 N TYR A 132 -1.375 2.850 -8.964 1.00 0.00 N ATOM 859 CA TYR A 132 -1.537 4.262 -8.502 1.00 0.00 C ATOM 860 C TYR A 132 -0.684 4.474 -7.249 1.00 0.00 C ATOM 861 O TYR A 132 -1.124 5.037 -6.261 1.00 0.00 O ATOM 862 CB TYR A 132 -3.028 4.405 -8.179 1.00 0.00 C ATOM 863 CG TYR A 132 -3.764 4.884 -9.408 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.422 6.110 -9.990 1.00 0.00 C ATOM 865 CD2 TYR A 132 -4.787 4.107 -9.967 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.100 6.559 -11.128 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.465 4.555 -11.107 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.120 5.782 -11.688 1.00 0.00 C ATOM 869 OH TYR A 132 -5.790 6.226 -12.811 1.00 0.00 O ATOM 0 H TYR A 132 -1.471 2.148 -8.230 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.221 4.996 -9.243 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.433 3.449 -7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.168 5.110 -7.360 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.634 6.710 -9.560 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.053 3.161 -9.518 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -3.836 7.506 -11.575 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.253 3.955 -11.538 1.00 0.00 H new ATOM 0 HH TYR A 132 -6.467 5.566 -13.070 1.00 0.00 H new ATOM 879 N VAL A 133 0.533 4.000 -7.286 1.00 0.00 N ATOM 880 CA VAL A 133 1.439 4.125 -6.112 1.00 0.00 C ATOM 881 C VAL A 133 2.881 4.333 -6.591 1.00 0.00 C ATOM 882 O VAL A 133 3.175 4.212 -7.765 1.00 0.00 O ATOM 883 CB VAL A 133 1.292 2.778 -5.392 1.00 0.00 C ATOM 884 CG1 VAL A 133 2.232 2.702 -4.191 1.00 0.00 C ATOM 885 CG2 VAL A 133 -0.150 2.613 -4.908 1.00 0.00 C ATOM 0 H VAL A 133 0.941 3.526 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 133 1.198 4.969 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 133 1.547 1.982 -6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 133 2.111 1.739 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 133 3.263 2.810 -4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 133 1.994 3.503 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -0.255 1.656 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.398 3.421 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -0.826 2.644 -5.762 1.00 0.00 H new ATOM 895 N ALA A 134 3.778 4.633 -5.689 1.00 0.00 N ATOM 896 CA ALA A 134 5.205 4.840 -6.082 1.00 0.00 C ATOM 897 C ALA A 134 6.126 4.077 -5.122 1.00 0.00 C ATOM 898 O ALA A 134 6.057 4.245 -3.918 1.00 0.00 O ATOM 899 CB ALA A 134 5.432 6.350 -5.970 1.00 0.00 C ATOM 0 H ALA A 134 3.584 4.744 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 134 5.420 4.474 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.461 6.585 -6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.750 6.871 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.247 6.671 -4.945 1.00 0.00 H new ATOM 905 N ARG A 135 6.971 3.223 -5.645 1.00 0.00 N ATOM 906 CA ARG A 135 7.880 2.431 -4.768 1.00 0.00 C ATOM 907 C ARG A 135 9.085 3.255 -4.310 1.00 0.00 C ATOM 908 O ARG A 135 9.698 3.967 -5.082 1.00 0.00 O ATOM 909 CB ARG A 135 8.348 1.263 -5.630 1.00 0.00 C ATOM 910 CG ARG A 135 8.455 0.007 -4.765 1.00 0.00 C ATOM 911 CD ARG A 135 9.923 -0.276 -4.427 1.00 0.00 C ATOM 912 NE ARG A 135 10.138 -1.740 -4.731 1.00 0.00 N ATOM 913 CZ ARG A 135 9.438 -2.697 -4.157 1.00 0.00 C ATOM 914 NH1 ARG A 135 8.606 -2.438 -3.175 1.00 0.00 N ATOM 915 NH2 ARG A 135 9.609 -3.933 -4.540 1.00 0.00 N ATOM 0 H ARG A 135 7.069 3.042 -6.644 1.00 0.00 H new ATOM 0 HA ARG A 135 7.366 2.109 -3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.647 1.096 -6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 135 9.314 1.492 -6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 135 7.881 0.138 -3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 135 8.024 -0.845 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 135 10.589 0.349 -5.022 1.00 0.00 H new ATOM 0 HD3 ARG A 135 10.132 -0.059 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 135 10.855 -1.998 -5.409 1.00 0.00 H new ATOM 0 HH11 ARG A 135 8.492 -1.481 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 135 8.074 -3.194 -2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 135 10.280 -4.150 -5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 135 9.072 -4.682 -4.102 1.00 0.00 H new ATOM 929 N VAL A 136 9.426 3.140 -3.057 1.00 0.00 N ATOM 930 CA VAL A 136 10.591 3.881 -2.500 1.00 0.00 C ATOM 931 C VAL A 136 11.173 3.121 -1.294 1.00 0.00 C ATOM 932 O VAL A 136 10.609 2.143 -0.833 1.00 0.00 O ATOM 933 CB VAL A 136 10.033 5.233 -2.059 1.00 0.00 C ATOM 934 CG1 VAL A 136 9.586 6.031 -3.285 1.00 0.00 C ATOM 935 CG2 VAL A 136 8.845 5.037 -1.108 1.00 0.00 C ATOM 0 H VAL A 136 8.936 2.552 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 136 11.394 3.992 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 136 10.816 5.781 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.189 6.995 -2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.438 6.190 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.812 5.477 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.459 6.010 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.060 4.478 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.171 4.484 -0.227 1.00 0.00 H new ATOM 945 N ASP A 137 12.301 3.563 -0.786 1.00 0.00 N ATOM 946 CA ASP A 137 12.931 2.871 0.381 1.00 0.00 C ATOM 947 C ASP A 137 12.508 3.534 1.701 1.00 0.00 C ATOM 948 O ASP A 137 11.530 4.256 1.755 1.00 0.00 O ATOM 949 CB ASP A 137 14.445 3.026 0.157 1.00 0.00 C ATOM 950 CG ASP A 137 14.833 4.507 0.137 1.00 0.00 C ATOM 951 OD1 ASP A 137 14.480 5.179 -0.820 1.00 0.00 O ATOM 952 OD2 ASP A 137 15.474 4.944 1.077 1.00 0.00 O ATOM 0 H ASP A 137 12.812 4.375 -1.132 1.00 0.00 H new ATOM 0 HA ASP A 137 12.629 1.826 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 137 14.991 2.511 0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 137 14.730 2.556 -0.784 1.00 0.00 H new ATOM 957 N SER A 138 13.234 3.282 2.764 1.00 0.00 N ATOM 958 CA SER A 138 12.878 3.886 4.087 1.00 0.00 C ATOM 959 C SER A 138 13.822 5.047 4.410 1.00 0.00 C ATOM 960 O SER A 138 14.973 4.975 4.014 1.00 0.00 O ATOM 961 CB SER A 138 13.060 2.760 5.107 1.00 0.00 C ATOM 962 OG SER A 138 12.315 3.055 6.282 1.00 0.00 O ATOM 0 H SER A 138 14.059 2.683 2.772 1.00 0.00 H new ATOM 0 HA SER A 138 11.863 4.283 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 138 12.727 1.813 4.682 1.00 0.00 H new ATOM 0 HB3 SER A 138 14.116 2.646 5.353 1.00 0.00 H new ATOM 0 HG SER A 138 12.431 2.332 6.933 1.00 0.00 H new TER 968 SER A 138