USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 750 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 37 TYR OH : rot 180:sc= -0.649! USER MOD Set 1.2: A 81 MET CE :methyl -134:sc= -1.84 (180deg=-4.36!) USER MOD Set 2.1: A 57 TYR OH : rot 120:sc= -0.0215 USER MOD Set 2.2: A 71 LYS NZ :NH3+ -134:sc=0.000379 (180deg=-0.0473) USER MOD Set 3.1: A 48 LYS NZ :NH3+ -176:sc= 1.08 (180deg=-0.0863) USER MOD Set 3.2: A 50 SER OG : rot -119:sc= 0.353 USER MOD Set 4.1: A 30 GLN : amide:sc= -0.409 X(o=0.7,f=0.23) USER MOD Set 4.2: A 41 THR OG1 : rot 15:sc= 1.11 USER MOD Set 5.1: A 11 LYS NZ :NH3+ -119:sc= 2.04 (180deg=-0.574) USER MOD Set 5.2: A 56 TYR OH : rot -52:sc= 0.73 USER MOD Set 5.3: A 74 LYS NZ :NH3+ 159:sc= 2.69 (180deg=1.22) USER MOD Single : A 0 SER N :NH3+ -175:sc= 1.28 (180deg=1.13) USER MOD Single : A 0 SER OG : rot -82:sc= 1.12 USER MOD Single : A 9 LYS NZ :NH3+ 173:sc= 1.04 (180deg=0.999) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 1.31 (180deg=1.12) USER MOD Single : A 19 ASN : amide:sc= -0.259 K(o=-0.26,f=-4.8!) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 0.827 (180deg=0.811) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0952) USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= 1.19 (180deg=1.06) USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= 1.2 (180deg=-0.0603) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc=-0.00686 (180deg=-0.146) USER MOD Single : A 49 THR OG1 : rot 53:sc= -3.12! USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 0.0659 (180deg=-0.438) USER MOD Single : A 59 SER OG : rot 80:sc= -1.76! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 0 8.263 6.927 3.320 1.00 0.00 N ATOM 11 CA SER A 0 8.776 5.633 3.738 1.00 0.00 C ATOM 12 C SER A 0 10.102 5.815 4.469 1.00 0.00 C ATOM 13 O SER A 0 10.722 6.878 4.392 1.00 0.00 O ATOM 14 CB SER A 0 8.938 4.698 2.528 1.00 0.00 C ATOM 15 OG SER A 0 9.495 3.450 2.903 1.00 0.00 O ATOM 0 H1 SER A 0 7.320 6.807 2.898 1.00 0.00 H new ATOM 0 H2 SER A 0 8.195 7.557 4.145 1.00 0.00 H new ATOM 0 H3 SER A 0 8.906 7.345 2.618 1.00 0.00 H new ATOM 0 HA SER A 0 8.062 5.172 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 0 7.967 4.537 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 0 9.577 5.173 1.783 1.00 0.00 H new ATOM 0 HG SER A 0 10.469 3.532 2.966 1.00 0.00 H new ATOM 21 N LEU A 1 10.517 4.783 5.188 1.00 0.00 N ATOM 22 CA LEU A 1 11.737 4.827 5.981 1.00 0.00 C ATOM 23 C LEU A 1 12.097 3.432 6.465 1.00 0.00 C ATOM 24 O LEU A 1 12.547 3.238 7.595 1.00 0.00 O ATOM 25 CB LEU A 1 11.565 5.794 7.157 1.00 0.00 C ATOM 26 CG LEU A 1 10.143 5.896 7.721 1.00 0.00 C ATOM 27 CD1 LEU A 1 9.845 4.749 8.679 1.00 0.00 C ATOM 28 CD2 LEU A 1 9.959 7.235 8.412 1.00 0.00 C ATOM 0 H LEU A 1 10.020 3.894 5.239 1.00 0.00 H new ATOM 0 HA LEU A 1 12.556 5.191 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.235 5.486 7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.884 6.787 6.839 1.00 0.00 H new ATOM 0 HG LEU A 1 9.437 5.823 6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 1 8.829 4.849 9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.942 3.800 8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.550 4.776 9.510 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.947 7.302 8.811 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.677 7.326 9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.121 8.040 7.695 1.00 0.00 H new ATOM 40 N ILE A 2 11.924 2.466 5.583 1.00 0.00 N ATOM 41 CA ILE A 2 12.129 1.079 5.930 1.00 0.00 C ATOM 42 C ILE A 2 13.450 0.568 5.348 1.00 0.00 C ATOM 43 O ILE A 2 13.596 0.377 4.138 1.00 0.00 O ATOM 44 CB ILE A 2 10.932 0.205 5.470 1.00 0.00 C ATOM 45 CG1 ILE A 2 11.117 -1.242 5.927 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.734 0.280 3.959 1.00 0.00 C ATOM 47 CD1 ILE A 2 9.898 -2.111 5.707 1.00 0.00 C ATOM 0 H ILE A 2 11.640 2.621 4.616 1.00 0.00 H new ATOM 0 HA ILE A 2 12.189 1.004 7.016 1.00 0.00 H new ATOM 0 HB ILE A 2 10.030 0.600 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 2 11.963 -1.677 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 2 11.371 -1.249 6.987 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.888 -0.344 3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.539 1.312 3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.634 -0.075 3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 2 10.105 -3.123 6.055 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.054 -1.701 6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.656 -2.136 4.645 1.00 0.00 H new ATOM 59 N LEU A 3 14.418 0.344 6.227 1.00 0.00 N ATOM 60 CA LEU A 3 15.755 -0.078 5.818 1.00 0.00 C ATOM 61 C LEU A 3 15.759 -1.548 5.419 1.00 0.00 C ATOM 62 O LEU A 3 16.801 -2.124 5.111 1.00 0.00 O ATOM 63 CB LEU A 3 16.771 0.179 6.937 1.00 0.00 C ATOM 64 CG LEU A 3 17.288 1.623 7.041 1.00 0.00 C ATOM 65 CD1 LEU A 3 18.004 2.021 5.759 1.00 0.00 C ATOM 66 CD2 LEU A 3 16.159 2.597 7.347 1.00 0.00 C ATOM 0 H LEU A 3 14.303 0.448 7.235 1.00 0.00 H new ATOM 0 HA LEU A 3 16.046 0.513 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 3 16.315 -0.095 7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 3 17.623 -0.484 6.790 1.00 0.00 H new ATOM 0 HG LEU A 3 17.996 1.667 7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 3 18.365 3.046 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.848 1.352 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.313 1.950 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.559 3.609 7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.415 2.553 6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.693 2.328 8.295 1.00 0.00 H new ATOM 78 N ASP A 4 14.572 -2.134 5.406 1.00 0.00 N ATOM 79 CA ASP A 4 14.367 -3.492 4.920 1.00 0.00 C ATOM 80 C ASP A 4 14.535 -3.527 3.400 1.00 0.00 C ATOM 81 O ASP A 4 14.504 -4.585 2.778 1.00 0.00 O ATOM 82 CB ASP A 4 12.962 -3.955 5.328 1.00 0.00 C ATOM 83 CG ASP A 4 12.671 -5.405 5.005 1.00 0.00 C ATOM 84 OD1 ASP A 4 11.966 -5.667 4.004 1.00 0.00 O ATOM 85 OD2 ASP A 4 13.111 -6.287 5.771 1.00 0.00 O ATOM 0 H ASP A 4 13.719 -1.680 5.733 1.00 0.00 H new ATOM 0 HA ASP A 4 15.104 -4.166 5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.837 -3.801 6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.225 -3.327 4.828 1.00 0.00 H new ATOM 90 N GLY A 5 14.713 -2.346 2.811 1.00 0.00 N ATOM 91 CA GLY A 5 14.909 -2.239 1.380 1.00 0.00 C ATOM 92 C GLY A 5 16.362 -2.385 0.964 1.00 0.00 C ATOM 93 O GLY A 5 16.802 -3.479 0.615 1.00 0.00 O ATOM 0 H GLY A 5 14.724 -1.455 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 5 14.316 -3.005 0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 5 14.535 -1.273 1.040 1.00 0.00 H new ATOM 97 N ASP A 6 17.097 -1.270 0.962 1.00 0.00 N ATOM 98 CA ASP A 6 18.520 -1.270 0.599 1.00 0.00 C ATOM 99 C ASP A 6 19.307 -2.362 1.325 1.00 0.00 C ATOM 100 O ASP A 6 20.171 -3.011 0.733 1.00 0.00 O ATOM 101 CB ASP A 6 19.140 0.098 0.902 1.00 0.00 C ATOM 102 CG ASP A 6 20.637 0.128 0.657 1.00 0.00 C ATOM 103 OD1 ASP A 6 21.407 0.014 1.631 1.00 0.00 O ATOM 104 OD2 ASP A 6 21.053 0.262 -0.514 1.00 0.00 O ATOM 0 H ASP A 6 16.730 -0.351 1.209 1.00 0.00 H new ATOM 0 HA ASP A 6 18.578 -1.478 -0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 6 18.659 0.856 0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 6 18.940 0.361 1.941 1.00 0.00 H new ATOM 109 N LEU A 7 18.986 -2.590 2.590 1.00 0.00 N ATOM 110 CA LEU A 7 19.747 -3.523 3.413 1.00 0.00 C ATOM 111 C LEU A 7 19.151 -4.924 3.358 1.00 0.00 C ATOM 112 O LEU A 7 19.312 -5.712 4.291 1.00 0.00 O ATOM 113 CB LEU A 7 19.779 -3.043 4.863 1.00 0.00 C ATOM 114 CG LEU A 7 20.340 -1.637 5.080 1.00 0.00 C ATOM 115 CD1 LEU A 7 20.154 -1.218 6.527 1.00 0.00 C ATOM 116 CD2 LEU A 7 21.810 -1.578 4.696 1.00 0.00 C ATOM 0 H LEU A 7 18.205 -2.143 3.070 1.00 0.00 H new ATOM 0 HA LEU A 7 20.762 -3.562 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.765 -3.076 5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.373 -3.746 5.447 1.00 0.00 H new ATOM 0 HG LEU A 7 19.793 -0.945 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 7 20.557 -0.215 6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 7 19.092 -1.221 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 7 20.679 -1.917 7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 7 22.188 -0.569 4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 7 22.375 -2.280 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 7 21.922 -1.843 3.645 1.00 0.00 H new ATOM 128 N LEU A 8 18.469 -5.243 2.272 1.00 0.00 N ATOM 129 CA LEU A 8 17.853 -6.552 2.124 1.00 0.00 C ATOM 130 C LEU A 8 18.818 -7.529 1.469 1.00 0.00 C ATOM 131 O LEU A 8 19.470 -7.205 0.473 1.00 0.00 O ATOM 132 CB LEU A 8 16.565 -6.437 1.299 1.00 0.00 C ATOM 133 CG LEU A 8 15.617 -7.644 1.346 1.00 0.00 C ATOM 134 CD1 LEU A 8 14.210 -7.209 0.994 1.00 0.00 C ATOM 135 CD2 LEU A 8 16.071 -8.755 0.412 1.00 0.00 C ATOM 0 H LEU A 8 18.327 -4.616 1.480 1.00 0.00 H new ATOM 0 HA LEU A 8 17.604 -6.933 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.017 -5.558 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.839 -6.258 0.259 1.00 0.00 H new ATOM 0 HG LEU A 8 15.632 -8.041 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.543 -8.071 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.872 -6.459 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.201 -6.784 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.374 -9.591 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.098 -8.381 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.067 -9.091 0.703 1.00 0.00 H new ATOM 147 N LYS A 9 18.917 -8.714 2.049 1.00 0.00 N ATOM 148 CA LYS A 9 19.699 -9.792 1.467 1.00 0.00 C ATOM 149 C LYS A 9 18.780 -10.979 1.197 1.00 0.00 C ATOM 150 O LYS A 9 18.581 -11.373 0.049 1.00 0.00 O ATOM 151 CB LYS A 9 20.856 -10.201 2.388 1.00 0.00 C ATOM 152 CG LYS A 9 21.756 -9.047 2.815 1.00 0.00 C ATOM 153 CD LYS A 9 21.230 -8.352 4.062 1.00 0.00 C ATOM 154 CE LYS A 9 22.095 -7.165 4.454 1.00 0.00 C ATOM 155 NZ LYS A 9 21.589 -6.489 5.679 1.00 0.00 N ATOM 0 H LYS A 9 18.462 -8.955 2.929 1.00 0.00 H new ATOM 0 HA LYS A 9 20.138 -9.448 0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 9 20.445 -10.675 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.462 -10.950 1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 9 22.762 -9.421 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.832 -8.325 2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 9 20.208 -8.015 3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 9 21.194 -9.064 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.118 -7.501 4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 9 22.125 -6.450 3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.269 -5.762 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.672 -6.043 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.472 -7.189 6.439 1.00 0.00 H new ATOM 169 N ASP A 10 18.205 -11.524 2.264 1.00 0.00 N ATOM 170 CA ASP A 10 17.195 -12.576 2.153 1.00 0.00 C ATOM 171 C ASP A 10 16.303 -12.570 3.385 1.00 0.00 C ATOM 172 O ASP A 10 16.766 -12.818 4.498 1.00 0.00 O ATOM 173 CB ASP A 10 17.837 -13.956 1.979 1.00 0.00 C ATOM 174 CG ASP A 10 16.818 -15.083 2.040 1.00 0.00 C ATOM 175 OD1 ASP A 10 15.806 -15.030 1.302 1.00 0.00 O ATOM 176 OD2 ASP A 10 17.031 -16.041 2.817 1.00 0.00 O ATOM 0 H ASP A 10 18.422 -11.253 3.223 1.00 0.00 H new ATOM 0 HA ASP A 10 16.594 -12.372 1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.358 -13.993 1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 10 18.586 -14.105 2.756 1.00 0.00 H new ATOM 181 N LYS A 11 15.030 -12.282 3.182 1.00 0.00 N ATOM 182 CA LYS A 11 14.089 -12.172 4.285 1.00 0.00 C ATOM 183 C LYS A 11 12.838 -13.015 4.041 1.00 0.00 C ATOM 184 O LYS A 11 12.462 -13.830 4.880 1.00 0.00 O ATOM 185 CB LYS A 11 13.697 -10.706 4.513 1.00 0.00 C ATOM 186 CG LYS A 11 13.174 -10.011 3.263 1.00 0.00 C ATOM 187 CD LYS A 11 12.448 -8.720 3.581 1.00 0.00 C ATOM 188 CE LYS A 11 11.251 -8.961 4.488 1.00 0.00 C ATOM 189 NZ LYS A 11 10.342 -7.787 4.534 1.00 0.00 N ATOM 0 H LYS A 11 14.622 -12.119 2.261 1.00 0.00 H new ATOM 0 HA LYS A 11 14.584 -12.553 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.934 -10.660 5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.564 -10.161 4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.007 -9.800 2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.499 -10.683 2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.135 -8.024 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.115 -8.251 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.699 -9.833 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.600 -9.189 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.284 -7.431 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.710 -7.038 3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.394 -8.069 4.212 1.00 0.00 H new ATOM 203 N LEU A 12 12.214 -12.841 2.879 1.00 0.00 N ATOM 204 CA LEU A 12 10.908 -13.427 2.610 1.00 0.00 C ATOM 205 C LEU A 12 10.711 -13.658 1.118 1.00 0.00 C ATOM 206 O LEU A 12 11.339 -13.003 0.284 1.00 0.00 O ATOM 207 CB LEU A 12 9.785 -12.520 3.137 1.00 0.00 C ATOM 208 CG LEU A 12 9.623 -12.484 4.660 1.00 0.00 C ATOM 209 CD1 LEU A 12 8.567 -11.465 5.059 1.00 0.00 C ATOM 210 CD2 LEU A 12 9.260 -13.864 5.193 1.00 0.00 C ATOM 0 H LEU A 12 12.596 -12.296 2.106 1.00 0.00 H new ATOM 0 HA LEU A 12 10.866 -14.386 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.967 -11.505 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.843 -12.846 2.697 1.00 0.00 H new ATOM 0 HG LEU A 12 10.575 -12.185 5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.465 -11.453 6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.866 -10.476 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.612 -11.735 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.149 -13.818 6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.321 -14.191 4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.049 -14.571 4.939 1.00 0.00 H new ATOM 222 N LYS A 13 9.842 -14.607 0.803 1.00 0.00 N ATOM 223 CA LYS A 13 9.502 -14.947 -0.574 1.00 0.00 C ATOM 224 C LYS A 13 8.288 -15.868 -0.573 1.00 0.00 C ATOM 225 O LYS A 13 8.226 -16.856 -1.307 1.00 0.00 O ATOM 226 CB LYS A 13 10.685 -15.594 -1.318 1.00 0.00 C ATOM 227 CG LYS A 13 11.323 -16.793 -0.627 1.00 0.00 C ATOM 228 CD LYS A 13 12.382 -16.372 0.381 1.00 0.00 C ATOM 229 CE LYS A 13 13.182 -17.559 0.884 1.00 0.00 C ATOM 230 NZ LYS A 13 14.173 -17.166 1.919 1.00 0.00 N ATOM 0 H LYS A 13 9.349 -15.167 1.498 1.00 0.00 H new ATOM 0 HA LYS A 13 9.264 -14.028 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.343 -15.906 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.453 -14.835 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.551 -17.373 -0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.773 -17.445 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.055 -15.648 -0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.904 -15.872 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.503 -18.305 1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.699 -18.028 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.890 -17.913 2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.635 -16.277 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.689 -17.032 2.830 1.00 0.00 H new ATOM 244 N LEU A 14 7.316 -15.510 0.253 1.00 0.00 N ATOM 245 CA LEU A 14 6.161 -16.348 0.511 1.00 0.00 C ATOM 246 C LEU A 14 4.904 -15.772 -0.144 1.00 0.00 C ATOM 247 O LEU A 14 4.932 -14.658 -0.673 1.00 0.00 O ATOM 248 CB LEU A 14 5.962 -16.455 2.026 1.00 0.00 C ATOM 249 CG LEU A 14 7.161 -17.007 2.803 1.00 0.00 C ATOM 250 CD1 LEU A 14 6.882 -16.985 4.299 1.00 0.00 C ATOM 251 CD2 LEU A 14 7.502 -18.416 2.340 1.00 0.00 C ATOM 0 H LEU A 14 7.309 -14.627 0.763 1.00 0.00 H new ATOM 0 HA LEU A 14 6.334 -17.336 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.721 -15.466 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.099 -17.093 2.219 1.00 0.00 H new ATOM 0 HG LEU A 14 8.021 -16.368 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.744 -17.381 4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.694 -15.960 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.007 -17.599 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.356 -18.788 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.646 -19.070 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.748 -18.400 1.278 1.00 0.00 H new ATOM 263 N PRO A 15 3.805 -16.554 -0.154 1.00 0.00 N ATOM 264 CA PRO A 15 2.463 -16.083 -0.555 1.00 0.00 C ATOM 265 C PRO A 15 1.958 -14.918 0.296 1.00 0.00 C ATOM 266 O PRO A 15 2.737 -14.099 0.784 1.00 0.00 O ATOM 267 CB PRO A 15 1.584 -17.317 -0.329 1.00 0.00 C ATOM 268 CG PRO A 15 2.511 -18.466 -0.424 1.00 0.00 C ATOM 269 CD PRO A 15 3.797 -17.990 0.178 1.00 0.00 C ATOM 0 HA PRO A 15 2.459 -15.704 -1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.097 -17.282 0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.795 -17.383 -1.078 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.122 -19.330 0.114 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.652 -18.772 -1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.825 -18.156 1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.657 -18.507 -0.246 1.00 0.00 H new ATOM 277 N VAL A 16 0.643 -14.834 0.442 1.00 0.00 N ATOM 278 CA VAL A 16 0.029 -13.777 1.239 1.00 0.00 C ATOM 279 C VAL A 16 0.632 -13.720 2.644 1.00 0.00 C ATOM 280 O VAL A 16 0.705 -14.716 3.369 1.00 0.00 O ATOM 281 CB VAL A 16 -1.514 -13.916 1.317 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.924 -15.189 2.041 1.00 0.00 C ATOM 283 CG2 VAL A 16 -2.142 -12.687 1.972 1.00 0.00 C ATOM 0 H VAL A 16 -0.020 -15.484 0.020 1.00 0.00 H new ATOM 0 HA VAL A 16 0.246 -12.839 0.729 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.889 -13.984 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.012 -15.253 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.527 -16.054 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.528 -15.174 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.224 -12.810 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.750 -12.573 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.900 -11.800 1.387 1.00 0.00 H new ATOM 293 N ILE A 17 1.104 -12.539 2.977 1.00 0.00 N ATOM 294 CA ILE A 17 1.735 -12.260 4.249 1.00 0.00 C ATOM 295 C ILE A 17 0.687 -11.650 5.185 1.00 0.00 C ATOM 296 O ILE A 17 -0.434 -11.379 4.747 1.00 0.00 O ATOM 297 CB ILE A 17 2.923 -11.277 4.042 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.745 -11.682 2.813 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.829 -11.237 5.255 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.913 -10.761 2.522 1.00 0.00 C ATOM 0 H ILE A 17 1.059 -11.729 2.359 1.00 0.00 H new ATOM 0 HA ILE A 17 2.126 -13.178 4.689 1.00 0.00 H new ATOM 0 HB ILE A 17 2.500 -10.284 3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.121 -12.695 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.090 -11.707 1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.648 -10.540 5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.259 -10.910 6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.234 -12.232 5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.444 -11.115 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.544 -9.751 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.592 -10.754 3.375 1.00 0.00 H new ATOM 312 N ASP A 18 1.035 -11.452 6.456 1.00 0.00 N ATOM 313 CA ASP A 18 0.114 -10.858 7.427 1.00 0.00 C ATOM 314 C ASP A 18 -0.490 -9.571 6.893 1.00 0.00 C ATOM 315 O ASP A 18 0.230 -8.629 6.563 1.00 0.00 O ATOM 316 CB ASP A 18 0.831 -10.562 8.748 1.00 0.00 C ATOM 317 CG ASP A 18 0.969 -11.779 9.633 1.00 0.00 C ATOM 318 OD1 ASP A 18 0.163 -11.922 10.575 1.00 0.00 O ATOM 319 OD2 ASP A 18 1.884 -12.594 9.397 1.00 0.00 O ATOM 0 H ASP A 18 1.949 -11.694 6.839 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.683 -11.581 7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.822 -10.161 8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.283 -9.789 9.287 1.00 0.00 H new ATOM 324 N ASN A 19 -1.813 -9.526 6.818 1.00 0.00 N ATOM 325 CA ASN A 19 -2.499 -8.333 6.340 1.00 0.00 C ATOM 326 C ASN A 19 -2.427 -7.226 7.384 1.00 0.00 C ATOM 327 O ASN A 19 -2.644 -6.056 7.079 1.00 0.00 O ATOM 328 CB ASN A 19 -3.953 -8.633 5.947 1.00 0.00 C ATOM 329 CG ASN A 19 -4.759 -9.331 7.028 1.00 0.00 C ATOM 330 OD1 ASN A 19 -4.536 -9.141 8.221 1.00 0.00 O ATOM 331 ND2 ASN A 19 -5.706 -10.153 6.607 1.00 0.00 N ATOM 0 H ASN A 19 -2.429 -10.296 7.080 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.989 -7.991 5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.448 -7.697 5.688 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.955 -9.253 5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.282 -10.656 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.860 -10.284 5.607 1.00 0.00 H new ATOM 338 N LEU A 20 -2.108 -7.607 8.616 1.00 0.00 N ATOM 339 CA LEU A 20 -1.806 -6.650 9.660 1.00 0.00 C ATOM 340 C LEU A 20 -0.447 -6.019 9.392 1.00 0.00 C ATOM 341 O LEU A 20 -0.258 -4.819 9.580 1.00 0.00 O ATOM 342 CB LEU A 20 -1.813 -7.337 11.025 1.00 0.00 C ATOM 343 CG LEU A 20 -1.230 -6.510 12.169 1.00 0.00 C ATOM 344 CD1 LEU A 20 -2.036 -5.236 12.384 1.00 0.00 C ATOM 345 CD2 LEU A 20 -1.169 -7.333 13.442 1.00 0.00 C ATOM 0 H LEU A 20 -2.053 -8.582 8.912 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.568 -5.870 9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.840 -7.602 11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.253 -8.269 10.948 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.214 -6.221 11.899 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.601 -4.664 13.204 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.018 -4.636 11.474 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.066 -5.494 12.628 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.751 -6.728 14.247 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.174 -7.656 13.715 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.538 -8.207 13.280 1.00 0.00 H new ATOM 357 N PHE A 21 0.492 -6.838 8.931 1.00 0.00 N ATOM 358 CA PHE A 21 1.809 -6.356 8.545 1.00 0.00 C ATOM 359 C PHE A 21 1.660 -5.366 7.400 1.00 0.00 C ATOM 360 O PHE A 21 2.327 -4.333 7.361 1.00 0.00 O ATOM 361 CB PHE A 21 2.700 -7.531 8.122 1.00 0.00 C ATOM 362 CG PHE A 21 4.138 -7.160 7.893 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.621 -6.961 6.611 1.00 0.00 C ATOM 364 CD2 PHE A 21 5.006 -7.014 8.963 1.00 0.00 C ATOM 365 CE1 PHE A 21 5.943 -6.624 6.400 1.00 0.00 C ATOM 366 CE2 PHE A 21 6.329 -6.677 8.758 1.00 0.00 C ATOM 367 CZ PHE A 21 6.798 -6.481 7.474 1.00 0.00 C ATOM 0 H PHE A 21 0.362 -7.843 8.816 1.00 0.00 H new ATOM 0 HA PHE A 21 2.279 -5.859 9.394 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.653 -8.303 8.890 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.298 -7.967 7.207 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.956 -7.071 5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.643 -7.166 9.969 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.308 -6.472 5.395 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.996 -6.567 9.600 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.832 -6.216 7.310 1.00 0.00 H new ATOM 377 N GLY A 22 0.761 -5.691 6.478 1.00 0.00 N ATOM 378 CA GLY A 22 0.444 -4.785 5.397 1.00 0.00 C ATOM 379 C GLY A 22 -0.247 -3.540 5.904 1.00 0.00 C ATOM 380 O GLY A 22 0.087 -2.431 5.499 1.00 0.00 O ATOM 0 H GLY A 22 0.245 -6.571 6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.359 -4.507 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.197 -5.289 4.674 1.00 0.00 H new ATOM 384 N LYS A 23 -1.205 -3.731 6.804 1.00 0.00 N ATOM 385 CA LYS A 23 -1.942 -2.622 7.399 1.00 0.00 C ATOM 386 C LYS A 23 -0.966 -1.645 8.035 1.00 0.00 C ATOM 387 O LYS A 23 -1.092 -0.433 7.883 1.00 0.00 O ATOM 388 CB LYS A 23 -2.908 -3.151 8.461 1.00 0.00 C ATOM 389 CG LYS A 23 -4.205 -2.357 8.579 1.00 0.00 C ATOM 390 CD LYS A 23 -5.131 -2.600 7.394 1.00 0.00 C ATOM 391 CE LYS A 23 -6.473 -1.903 7.578 1.00 0.00 C ATOM 392 NZ LYS A 23 -7.429 -2.236 6.486 1.00 0.00 N ATOM 0 H LYS A 23 -1.491 -4.651 7.140 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.511 -2.111 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.150 -4.189 8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.404 -3.148 9.428 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.716 -2.632 9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.975 -1.294 8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.656 -2.241 6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.291 -3.671 7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.903 -2.192 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.320 -0.824 7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.355 -1.810 6.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.070 -1.862 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.531 -3.269 6.417 1.00 0.00 H new ATOM 406 N GLU A 24 0.014 -2.203 8.731 1.00 0.00 N ATOM 407 CA GLU A 24 1.078 -1.451 9.348 1.00 0.00 C ATOM 408 C GLU A 24 1.833 -0.608 8.328 1.00 0.00 C ATOM 409 O GLU A 24 2.047 0.581 8.544 1.00 0.00 O ATOM 410 CB GLU A 24 2.013 -2.429 10.027 1.00 0.00 C ATOM 411 CG GLU A 24 1.559 -2.827 11.414 1.00 0.00 C ATOM 412 CD GLU A 24 1.702 -1.707 12.425 1.00 0.00 C ATOM 413 OE1 GLU A 24 0.832 -0.811 12.464 1.00 0.00 O ATOM 414 OE2 GLU A 24 2.689 -1.720 13.194 1.00 0.00 O ATOM 0 H GLU A 24 0.086 -3.209 8.881 1.00 0.00 H new ATOM 0 HA GLU A 24 0.656 -0.760 10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.102 -3.324 9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.007 -1.986 10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.516 -3.142 11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.139 -3.687 11.748 1.00 0.00 H new ATOM 421 N LEU A 25 2.230 -1.232 7.219 1.00 0.00 N ATOM 422 CA LEU A 25 2.913 -0.522 6.139 1.00 0.00 C ATOM 423 C LEU A 25 2.123 0.710 5.735 1.00 0.00 C ATOM 424 O LEU A 25 2.604 1.840 5.821 1.00 0.00 O ATOM 425 CB LEU A 25 3.044 -1.410 4.902 1.00 0.00 C ATOM 426 CG LEU A 25 3.721 -2.757 5.101 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.554 -3.603 3.850 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.189 -2.579 5.453 1.00 0.00 C ATOM 0 H LEU A 25 2.090 -2.227 7.045 1.00 0.00 H new ATOM 0 HA LEU A 25 3.900 -0.243 6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.046 -1.586 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.599 -0.858 4.143 1.00 0.00 H new ATOM 0 HG LEU A 25 3.247 -3.272 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.040 -4.568 3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.493 -3.757 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.009 -3.092 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.651 -3.556 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.695 -2.048 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.275 -2.004 6.375 1.00 0.00 H new ATOM 440 N LEU A 26 0.895 0.463 5.310 1.00 0.00 N ATOM 441 CA LEU A 26 0.026 1.499 4.789 1.00 0.00 C ATOM 442 C LEU A 26 -0.233 2.557 5.843 1.00 0.00 C ATOM 443 O LEU A 26 -0.276 3.741 5.544 1.00 0.00 O ATOM 444 CB LEU A 26 -1.304 0.894 4.326 1.00 0.00 C ATOM 445 CG LEU A 26 -1.276 0.134 2.993 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.201 -0.921 2.982 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.636 -0.474 2.703 1.00 0.00 C ATOM 0 H LEU A 26 0.474 -0.466 5.318 1.00 0.00 H new ATOM 0 HA LEU A 26 0.522 1.965 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.659 0.214 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.037 1.697 4.247 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.040 0.848 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.210 -1.439 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.771 -0.451 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.385 -1.637 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.600 -1.010 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.902 -1.167 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.383 0.317 2.645 1.00 0.00 H new ATOM 459 N ASP A 27 -0.392 2.109 7.076 1.00 0.00 N ATOM 460 CA ASP A 27 -0.670 3.000 8.199 1.00 0.00 C ATOM 461 C ASP A 27 0.506 3.942 8.471 1.00 0.00 C ATOM 462 O ASP A 27 0.310 5.077 8.906 1.00 0.00 O ATOM 463 CB ASP A 27 -0.988 2.177 9.451 1.00 0.00 C ATOM 464 CG ASP A 27 -1.611 2.999 10.559 1.00 0.00 C ATOM 465 OD1 ASP A 27 -2.827 3.278 10.483 1.00 0.00 O ATOM 466 OD2 ASP A 27 -0.902 3.340 11.527 1.00 0.00 O ATOM 0 H ASP A 27 -0.333 1.123 7.331 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.534 3.612 7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.665 1.366 9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.071 1.717 9.819 1.00 0.00 H new ATOM 471 N LYS A 28 1.725 3.476 8.210 1.00 0.00 N ATOM 472 CA LYS A 28 2.917 4.306 8.401 1.00 0.00 C ATOM 473 C LYS A 28 3.036 5.337 7.292 1.00 0.00 C ATOM 474 O LYS A 28 3.210 6.527 7.545 1.00 0.00 O ATOM 475 CB LYS A 28 4.195 3.466 8.391 1.00 0.00 C ATOM 476 CG LYS A 28 4.244 2.361 9.423 1.00 0.00 C ATOM 477 CD LYS A 28 5.543 1.596 9.320 1.00 0.00 C ATOM 478 CE LYS A 28 5.420 0.219 9.936 1.00 0.00 C ATOM 479 NZ LYS A 28 5.167 0.270 11.400 1.00 0.00 N ATOM 0 H LYS A 28 1.915 2.534 7.868 1.00 0.00 H new ATOM 0 HA LYS A 28 2.805 4.794 9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.313 3.024 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.047 4.127 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.143 2.784 10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.403 1.683 9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.831 1.504 8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.336 2.152 9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.609 -0.322 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.335 -0.342 9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.091 -0.698 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.953 0.762 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.280 0.782 11.581 1.00 0.00 H new ATOM 493 N PHE A 29 2.927 4.866 6.058 1.00 0.00 N ATOM 494 CA PHE A 29 3.198 5.693 4.890 1.00 0.00 C ATOM 495 C PHE A 29 1.914 6.345 4.413 1.00 0.00 C ATOM 496 O PHE A 29 1.854 6.921 3.322 1.00 0.00 O ATOM 497 CB PHE A 29 3.801 4.839 3.772 1.00 0.00 C ATOM 498 CG PHE A 29 4.842 3.864 4.253 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.766 2.527 3.904 1.00 0.00 C ATOM 500 CD2 PHE A 29 5.885 4.280 5.063 1.00 0.00 C ATOM 501 CE1 PHE A 29 5.712 1.623 4.353 1.00 0.00 C ATOM 502 CE2 PHE A 29 6.834 3.382 5.514 1.00 0.00 C ATOM 503 CZ PHE A 29 6.747 2.052 5.158 1.00 0.00 C ATOM 0 H PHE A 29 2.651 3.909 5.839 1.00 0.00 H new ATOM 0 HA PHE A 29 3.912 6.471 5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.002 4.289 3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.248 5.496 3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.958 2.185 3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.958 5.320 5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.640 0.582 4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.643 3.721 6.144 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.487 1.348 5.509 1.00 0.00 H new ATOM 513 N GLN A 30 0.896 6.255 5.258 1.00 0.00 N ATOM 514 CA GLN A 30 -0.433 6.748 4.952 1.00 0.00 C ATOM 515 C GLN A 30 -0.411 8.238 4.638 1.00 0.00 C ATOM 516 O GLN A 30 -1.274 8.740 3.926 1.00 0.00 O ATOM 517 CB GLN A 30 -1.363 6.486 6.137 1.00 0.00 C ATOM 518 CG GLN A 30 -1.362 7.591 7.156 1.00 0.00 C ATOM 519 CD GLN A 30 -2.363 7.396 8.277 1.00 0.00 C ATOM 520 OE1 GLN A 30 -2.146 7.853 9.400 1.00 0.00 O ATOM 521 NE2 GLN A 30 -3.455 6.709 7.994 1.00 0.00 N ATOM 0 H GLN A 30 0.974 5.833 6.183 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.798 6.220 4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.379 6.344 5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.068 5.555 6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.363 7.675 7.585 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.574 8.535 6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.599 6.346 7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.154 6.541 8.718 1.00 0.00 H new ATOM 530 N ASP A 31 0.578 8.939 5.174 1.00 0.00 N ATOM 531 CA ASP A 31 0.687 10.374 4.980 1.00 0.00 C ATOM 532 C ASP A 31 0.966 10.699 3.523 1.00 0.00 C ATOM 533 O ASP A 31 0.399 11.636 2.977 1.00 0.00 O ATOM 534 CB ASP A 31 1.776 10.964 5.881 1.00 0.00 C ATOM 535 CG ASP A 31 3.114 10.278 5.710 1.00 0.00 C ATOM 536 OD1 ASP A 31 4.013 10.859 5.068 1.00 0.00 O ATOM 537 OD2 ASP A 31 3.273 9.151 6.219 1.00 0.00 O ATOM 0 H ASP A 31 1.317 8.534 5.748 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.266 10.826 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.887 12.026 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.462 10.884 6.922 1.00 0.00 H new ATOM 542 N ASP A 32 1.814 9.902 2.886 1.00 0.00 N ATOM 543 CA ASP A 32 2.123 10.102 1.476 1.00 0.00 C ATOM 544 C ASP A 32 0.955 9.632 0.631 1.00 0.00 C ATOM 545 O ASP A 32 0.617 10.236 -0.385 1.00 0.00 O ATOM 546 CB ASP A 32 3.386 9.347 1.073 1.00 0.00 C ATOM 547 CG ASP A 32 4.451 10.269 0.520 1.00 0.00 C ATOM 548 OD1 ASP A 32 4.272 10.788 -0.600 1.00 0.00 O ATOM 549 OD2 ASP A 32 5.473 10.484 1.207 1.00 0.00 O ATOM 0 H ASP A 32 2.298 9.116 3.320 1.00 0.00 H new ATOM 0 HA ASP A 32 2.297 11.165 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.782 8.816 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.135 8.595 0.325 1.00 0.00 H new ATOM 554 N ILE A 33 0.333 8.553 1.081 1.00 0.00 N ATOM 555 CA ILE A 33 -0.842 8.004 0.424 1.00 0.00 C ATOM 556 C ILE A 33 -1.988 9.013 0.444 1.00 0.00 C ATOM 557 O ILE A 33 -2.720 9.170 -0.531 1.00 0.00 O ATOM 558 CB ILE A 33 -1.287 6.695 1.116 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.152 5.666 1.064 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.544 6.143 0.457 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.458 4.369 1.785 1.00 0.00 C ATOM 0 H ILE A 33 0.628 8.035 1.909 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.581 7.786 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.518 6.909 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.075 5.444 0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.745 6.108 1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.842 5.222 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.348 6.875 0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.343 5.936 -0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.395 3.696 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.655 4.575 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.335 3.901 1.337 1.00 0.00 H new ATOM 573 N LYS A 34 -2.113 9.715 1.552 1.00 0.00 N ATOM 574 CA LYS A 34 -3.183 10.674 1.744 1.00 0.00 C ATOM 575 C LYS A 34 -2.819 12.007 1.109 1.00 0.00 C ATOM 576 O LYS A 34 -3.680 12.742 0.632 1.00 0.00 O ATOM 577 CB LYS A 34 -3.445 10.830 3.231 1.00 0.00 C ATOM 578 CG LYS A 34 -4.698 11.613 3.556 1.00 0.00 C ATOM 579 CD LYS A 34 -5.300 11.137 4.861 1.00 0.00 C ATOM 580 CE LYS A 34 -6.516 11.954 5.254 1.00 0.00 C ATOM 581 NZ LYS A 34 -6.156 13.350 5.614 1.00 0.00 N ATOM 0 H LYS A 34 -1.476 9.637 2.345 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.091 10.315 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.520 9.841 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.590 11.326 3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.462 12.675 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.424 11.498 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.581 10.088 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.551 11.198 5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.228 11.965 4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.014 11.479 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.980 13.823 6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.374 13.341 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.861 13.864 4.759 1.00 0.00 H new ATOM 595 N ASP A 35 -1.533 12.306 1.108 1.00 0.00 N ATOM 596 CA ASP A 35 -1.025 13.489 0.432 1.00 0.00 C ATOM 597 C ASP A 35 -1.262 13.398 -1.070 1.00 0.00 C ATOM 598 O ASP A 35 -1.757 14.337 -1.694 1.00 0.00 O ATOM 599 CB ASP A 35 0.466 13.663 0.702 1.00 0.00 C ATOM 600 CG ASP A 35 1.060 14.828 -0.061 1.00 0.00 C ATOM 601 OD1 ASP A 35 1.806 14.586 -1.029 1.00 0.00 O ATOM 602 OD2 ASP A 35 0.776 15.989 0.299 1.00 0.00 O ATOM 0 H ASP A 35 -0.817 11.744 1.569 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.563 14.353 0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.624 13.814 1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.991 12.748 0.428 1.00 0.00 H new ATOM 607 N LYS A 36 -0.915 12.257 -1.640 1.00 0.00 N ATOM 608 CA LYS A 36 -1.041 12.051 -3.073 1.00 0.00 C ATOM 609 C LYS A 36 -2.475 11.726 -3.486 1.00 0.00 C ATOM 610 O LYS A 36 -3.036 12.374 -4.366 1.00 0.00 O ATOM 611 CB LYS A 36 -0.110 10.936 -3.526 1.00 0.00 C ATOM 612 CG LYS A 36 1.330 11.376 -3.676 1.00 0.00 C ATOM 613 CD LYS A 36 2.256 10.187 -3.659 1.00 0.00 C ATOM 614 CE LYS A 36 3.683 10.563 -4.032 1.00 0.00 C ATOM 615 NZ LYS A 36 4.265 11.571 -3.109 1.00 0.00 N ATOM 0 H LYS A 36 -0.542 11.456 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.761 12.986 -3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.159 10.118 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.463 10.544 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.452 11.925 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.593 12.059 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.249 9.737 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.888 9.432 -4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.305 9.668 -4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.698 10.955 -5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.303 11.513 -3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.962 12.523 -3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.938 11.384 -2.140 1.00 0.00 H new ATOM 629 N TYR A 37 -3.071 10.727 -2.842 1.00 0.00 N ATOM 630 CA TYR A 37 -4.350 10.187 -3.299 1.00 0.00 C ATOM 631 C TYR A 37 -5.492 10.579 -2.367 1.00 0.00 C ATOM 632 O TYR A 37 -6.652 10.608 -2.776 1.00 0.00 O ATOM 633 CB TYR A 37 -4.258 8.660 -3.403 1.00 0.00 C ATOM 634 CG TYR A 37 -2.934 8.177 -3.947 1.00 0.00 C ATOM 635 CD1 TYR A 37 -2.461 8.620 -5.176 1.00 0.00 C ATOM 636 CD2 TYR A 37 -2.141 7.302 -3.217 1.00 0.00 C ATOM 637 CE1 TYR A 37 -1.235 8.208 -5.657 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.919 6.878 -3.697 1.00 0.00 C ATOM 639 CZ TYR A 37 -0.469 7.337 -4.915 1.00 0.00 C ATOM 640 OH TYR A 37 0.762 6.941 -5.386 1.00 0.00 O ATOM 0 H TYR A 37 -2.693 10.277 -2.008 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.564 10.611 -4.280 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.418 8.225 -2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.061 8.297 -4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.062 9.297 -5.764 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.486 6.947 -2.257 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.878 8.567 -6.611 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.318 6.190 -3.121 1.00 0.00 H new ATOM 0 HH TYR A 37 1.176 6.327 -4.744 1.00 0.00 H new ATOM 650 N GLY A 38 -5.162 10.874 -1.118 1.00 0.00 N ATOM 651 CA GLY A 38 -6.177 11.241 -0.147 1.00 0.00 C ATOM 652 C GLY A 38 -6.914 10.031 0.386 1.00 0.00 C ATOM 653 O GLY A 38 -8.136 9.934 0.271 1.00 0.00 O ATOM 0 H GLY A 38 -4.208 10.866 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.711 11.775 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.889 11.926 -0.608 1.00 0.00 H new ATOM 657 N VAL A 39 -6.170 9.098 0.961 1.00 0.00 N ATOM 658 CA VAL A 39 -6.743 7.858 1.440 1.00 0.00 C ATOM 659 C VAL A 39 -6.580 7.731 2.952 1.00 0.00 C ATOM 660 O VAL A 39 -5.575 8.156 3.519 1.00 0.00 O ATOM 661 CB VAL A 39 -6.070 6.653 0.767 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.906 5.400 0.947 1.00 0.00 C ATOM 663 CG2 VAL A 39 -5.829 6.917 -0.711 1.00 0.00 C ATOM 0 H VAL A 39 -5.164 9.181 1.106 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.804 7.871 1.190 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.105 6.499 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.410 4.559 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.022 5.189 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.888 5.550 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.351 6.048 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.781 7.107 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.181 7.786 -0.824 1.00 0.00 H new ATOM 673 N ASP A 40 -7.573 7.129 3.587 1.00 0.00 N ATOM 674 CA ASP A 40 -7.583 6.926 5.039 1.00 0.00 C ATOM 675 C ASP A 40 -6.738 5.716 5.431 1.00 0.00 C ATOM 676 O ASP A 40 -6.416 5.514 6.599 1.00 0.00 O ATOM 677 CB ASP A 40 -9.036 6.763 5.510 1.00 0.00 C ATOM 678 CG ASP A 40 -9.177 6.345 6.960 1.00 0.00 C ATOM 679 OD1 ASP A 40 -8.907 7.172 7.856 1.00 0.00 O ATOM 680 OD2 ASP A 40 -9.595 5.195 7.205 1.00 0.00 O ATOM 0 H ASP A 40 -8.400 6.764 3.115 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.142 7.795 5.527 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.562 7.707 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.529 6.022 4.881 1.00 0.00 H new ATOM 685 N THR A 41 -6.364 4.956 4.410 1.00 0.00 N ATOM 686 CA THR A 41 -5.581 3.710 4.498 1.00 0.00 C ATOM 687 C THR A 41 -6.229 2.615 5.355 1.00 0.00 C ATOM 688 O THR A 41 -6.151 1.438 5.010 1.00 0.00 O ATOM 689 CB THR A 41 -4.121 3.934 4.941 1.00 0.00 C ATOM 690 OG1 THR A 41 -4.042 4.710 6.142 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.326 4.612 3.837 1.00 0.00 C ATOM 0 H THR A 41 -6.605 5.195 3.448 1.00 0.00 H new ATOM 0 HA THR A 41 -5.572 3.348 3.470 1.00 0.00 H new ATOM 0 HB THR A 41 -3.692 2.953 5.145 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.923 4.741 6.570 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.298 4.762 4.168 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.332 3.984 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.776 5.577 3.604 1.00 0.00 H new ATOM 699 N LYS A 42 -6.872 2.990 6.448 1.00 0.00 N ATOM 700 CA LYS A 42 -7.575 2.036 7.285 1.00 0.00 C ATOM 701 C LYS A 42 -8.823 1.552 6.563 1.00 0.00 C ATOM 702 O LYS A 42 -9.378 0.501 6.879 1.00 0.00 O ATOM 703 CB LYS A 42 -7.952 2.682 8.615 1.00 0.00 C ATOM 704 CG LYS A 42 -6.763 3.178 9.424 1.00 0.00 C ATOM 705 CD LYS A 42 -7.217 3.770 10.749 1.00 0.00 C ATOM 706 CE LYS A 42 -6.058 4.336 11.555 1.00 0.00 C ATOM 707 NZ LYS A 42 -5.063 3.297 11.925 1.00 0.00 N ATOM 0 H LYS A 42 -6.921 3.954 6.777 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.924 1.185 7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.622 3.520 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.508 1.960 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.073 2.354 9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.218 3.930 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.946 4.559 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.722 3.001 11.334 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.565 5.118 10.977 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.444 4.804 12.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.564 3.587 12.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.550 2.394 12.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.377 3.182 11.151 1.00 0.00 H new ATOM 721 N ASP A 43 -9.224 2.322 5.560 1.00 0.00 N ATOM 722 CA ASP A 43 -10.382 2.005 4.740 1.00 0.00 C ATOM 723 C ASP A 43 -10.025 0.872 3.806 1.00 0.00 C ATOM 724 O ASP A 43 -10.827 -0.023 3.544 1.00 0.00 O ATOM 725 CB ASP A 43 -10.790 3.234 3.921 1.00 0.00 C ATOM 726 CG ASP A 43 -11.953 2.969 2.982 1.00 0.00 C ATOM 727 OD1 ASP A 43 -11.734 2.389 1.899 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.088 3.365 3.317 1.00 0.00 O ATOM 0 H ASP A 43 -8.753 3.186 5.293 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.215 1.711 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.058 4.043 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.933 3.576 3.340 1.00 0.00 H new ATOM 733 N LEU A 44 -8.789 0.925 3.341 1.00 0.00 N ATOM 734 CA LEU A 44 -8.276 -0.012 2.366 1.00 0.00 C ATOM 735 C LEU A 44 -8.349 -1.439 2.883 1.00 0.00 C ATOM 736 O LEU A 44 -7.585 -1.835 3.768 1.00 0.00 O ATOM 737 CB LEU A 44 -6.834 0.349 2.021 1.00 0.00 C ATOM 738 CG LEU A 44 -6.643 1.736 1.408 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.164 2.047 1.257 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.351 1.828 0.063 1.00 0.00 C ATOM 0 H LEU A 44 -8.110 1.627 3.634 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.893 0.050 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.232 0.283 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.446 -0.395 1.326 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.084 2.475 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.043 3.038 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.685 2.022 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.701 1.304 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.204 2.822 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.940 1.082 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.417 1.646 0.200 1.00 0.00 H new ATOM 752 N LYS A 45 -9.291 -2.192 2.345 1.00 0.00 N ATOM 753 CA LYS A 45 -9.428 -3.596 2.666 1.00 0.00 C ATOM 754 C LYS A 45 -8.263 -4.359 2.067 1.00 0.00 C ATOM 755 O LYS A 45 -8.228 -4.599 0.862 1.00 0.00 O ATOM 756 CB LYS A 45 -10.747 -4.131 2.111 1.00 0.00 C ATOM 757 CG LYS A 45 -11.003 -5.594 2.420 1.00 0.00 C ATOM 758 CD LYS A 45 -12.222 -6.110 1.674 1.00 0.00 C ATOM 759 CE LYS A 45 -12.528 -7.555 2.029 1.00 0.00 C ATOM 760 NZ LYS A 45 -12.961 -7.696 3.444 1.00 0.00 N ATOM 0 H LYS A 45 -9.979 -1.847 1.676 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.428 -3.725 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.566 -3.537 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.756 -3.992 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.129 -6.184 2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.149 -5.721 3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.084 -5.487 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.054 -6.027 0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.310 -7.933 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.642 -8.167 1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.368 -8.642 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.141 -7.571 4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.677 -6.974 3.662 1.00 0.00 H new ATOM 774 N ILE A 46 -7.295 -4.709 2.894 1.00 0.00 N ATOM 775 CA ILE A 46 -6.116 -5.386 2.401 1.00 0.00 C ATOM 776 C ILE A 46 -6.430 -6.832 2.064 1.00 0.00 C ATOM 777 O ILE A 46 -6.720 -7.653 2.935 1.00 0.00 O ATOM 778 CB ILE A 46 -4.933 -5.295 3.381 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.581 -3.818 3.606 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.737 -6.067 2.831 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.349 -3.588 4.445 1.00 0.00 C ATOM 0 H ILE A 46 -7.303 -4.537 3.899 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.810 -4.873 1.489 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.207 -5.741 4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.439 -3.340 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.428 -3.325 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.905 -5.997 3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.010 -7.114 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.440 -5.643 1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.176 -2.517 4.552 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.491 -4.033 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.488 -4.048 3.960 1.00 0.00 H new ATOM 793 N LEU A 47 -6.378 -7.112 0.777 1.00 0.00 N ATOM 794 CA LEU A 47 -6.710 -8.409 0.233 1.00 0.00 C ATOM 795 C LEU A 47 -5.537 -9.360 0.400 1.00 0.00 C ATOM 796 O LEU A 47 -5.693 -10.490 0.858 1.00 0.00 O ATOM 797 CB LEU A 47 -7.031 -8.262 -1.255 1.00 0.00 C ATOM 798 CG LEU A 47 -7.912 -7.063 -1.619 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.104 -6.984 -3.127 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.258 -7.150 -0.914 1.00 0.00 C ATOM 0 H LEU A 47 -6.099 -6.432 0.070 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.574 -8.810 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.094 -8.184 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.526 -9.172 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.410 -6.155 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.732 -6.127 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.134 -6.872 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.583 -7.897 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.868 -6.289 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.768 -8.065 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.104 -7.158 0.165 1.00 0.00 H new ATOM 812 N LYS A 48 -4.354 -8.874 0.054 1.00 0.00 N ATOM 813 CA LYS A 48 -3.171 -9.701 0.029 1.00 0.00 C ATOM 814 C LYS A 48 -1.929 -8.869 0.297 1.00 0.00 C ATOM 815 O LYS A 48 -1.484 -8.107 -0.557 1.00 0.00 O ATOM 816 CB LYS A 48 -3.035 -10.388 -1.330 1.00 0.00 C ATOM 817 CG LYS A 48 -2.053 -11.549 -1.310 1.00 0.00 C ATOM 818 CD LYS A 48 -2.125 -12.389 -2.573 1.00 0.00 C ATOM 819 CE LYS A 48 -1.464 -11.705 -3.760 1.00 0.00 C ATOM 820 NZ LYS A 48 0.018 -11.663 -3.632 1.00 0.00 N ATOM 0 H LYS A 48 -4.194 -7.903 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.269 -10.455 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.013 -10.751 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.710 -9.657 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.041 -11.163 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.258 -12.180 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.642 -13.350 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.169 -12.595 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.733 -12.231 -4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.848 -10.689 -3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.420 -11.129 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.276 -11.198 -2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.395 -12.632 -3.639 1.00 0.00 H new ATOM 834 N THR A 49 -1.383 -8.997 1.484 1.00 0.00 N ATOM 835 CA THR A 49 -0.106 -8.387 1.777 1.00 0.00 C ATOM 836 C THR A 49 0.985 -9.263 1.193 1.00 0.00 C ATOM 837 O THR A 49 1.007 -10.462 1.433 1.00 0.00 O ATOM 838 CB THR A 49 0.110 -8.219 3.291 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.934 -7.407 3.839 1.00 0.00 O ATOM 840 CG2 THR A 49 1.463 -7.585 3.583 1.00 0.00 C ATOM 0 H THR A 49 -1.799 -9.514 2.258 1.00 0.00 H new ATOM 0 HA THR A 49 -0.080 -7.391 1.334 1.00 0.00 H new ATOM 0 HB THR A 49 0.088 -9.206 3.753 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.805 -7.777 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.590 -7.478 4.660 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.255 -8.219 3.186 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.514 -6.603 3.112 1.00 0.00 H new ATOM 848 N SER A 50 1.846 -8.693 0.377 1.00 0.00 N ATOM 849 CA SER A 50 2.915 -9.463 -0.222 1.00 0.00 C ATOM 850 C SER A 50 4.109 -8.575 -0.516 1.00 0.00 C ATOM 851 O SER A 50 4.023 -7.350 -0.429 1.00 0.00 O ATOM 852 CB SER A 50 2.428 -10.124 -1.517 1.00 0.00 C ATOM 853 OG SER A 50 1.270 -10.912 -1.287 1.00 0.00 O ATOM 0 H SER A 50 1.828 -7.707 0.115 1.00 0.00 H new ATOM 0 HA SER A 50 3.219 -10.237 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.208 -9.357 -2.259 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.220 -10.749 -1.930 1.00 0.00 H new ATOM 0 HG SER A 50 1.459 -11.846 -1.517 1.00 0.00 H new ATOM 859 N GLU A 51 5.218 -9.202 -0.851 1.00 0.00 N ATOM 860 CA GLU A 51 6.412 -8.491 -1.245 1.00 0.00 C ATOM 861 C GLU A 51 7.272 -9.403 -2.101 1.00 0.00 C ATOM 862 O GLU A 51 7.136 -10.627 -2.039 1.00 0.00 O ATOM 863 CB GLU A 51 7.198 -8.025 -0.016 1.00 0.00 C ATOM 864 CG GLU A 51 7.723 -9.158 0.853 1.00 0.00 C ATOM 865 CD GLU A 51 8.610 -8.656 1.972 1.00 0.00 C ATOM 866 OE1 GLU A 51 8.174 -8.659 3.137 1.00 0.00 O ATOM 867 OE2 GLU A 51 9.751 -8.240 1.686 1.00 0.00 O ATOM 0 H GLU A 51 5.315 -10.217 -0.857 1.00 0.00 H new ATOM 0 HA GLU A 51 6.129 -7.608 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.039 -7.415 -0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.558 -7.384 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.883 -9.708 1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.283 -9.859 0.234 1.00 0.00 H new ATOM 874 N ASP A 52 8.129 -8.819 -2.914 1.00 0.00 N ATOM 875 CA ASP A 52 9.095 -9.607 -3.656 1.00 0.00 C ATOM 876 C ASP A 52 10.440 -9.525 -2.960 1.00 0.00 C ATOM 877 O ASP A 52 10.791 -10.401 -2.172 1.00 0.00 O ATOM 878 CB ASP A 52 9.213 -9.148 -5.109 1.00 0.00 C ATOM 879 CG ASP A 52 10.280 -9.925 -5.856 1.00 0.00 C ATOM 880 OD1 ASP A 52 11.253 -9.304 -6.326 1.00 0.00 O ATOM 881 OD2 ASP A 52 10.171 -11.164 -5.938 1.00 0.00 O ATOM 0 H ASP A 52 8.178 -7.813 -3.077 1.00 0.00 H new ATOM 0 HA ASP A 52 8.751 -10.641 -3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.253 -9.274 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.450 -8.084 -5.137 1.00 0.00 H new ATOM 886 N LYS A 53 11.182 -8.468 -3.247 1.00 0.00 N ATOM 887 CA LYS A 53 12.422 -8.186 -2.545 1.00 0.00 C ATOM 888 C LYS A 53 12.466 -6.705 -2.208 1.00 0.00 C ATOM 889 O LYS A 53 12.187 -6.298 -1.087 1.00 0.00 O ATOM 890 CB LYS A 53 13.649 -8.551 -3.401 1.00 0.00 C ATOM 891 CG LYS A 53 13.605 -9.950 -4.004 1.00 0.00 C ATOM 892 CD LYS A 53 13.629 -11.039 -2.945 1.00 0.00 C ATOM 893 CE LYS A 53 13.312 -12.399 -3.550 1.00 0.00 C ATOM 894 NZ LYS A 53 11.964 -12.424 -4.185 1.00 0.00 N ATOM 0 H LYS A 53 10.944 -7.786 -3.967 1.00 0.00 H new ATOM 0 HA LYS A 53 12.453 -8.789 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.743 -7.824 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.545 -8.462 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.703 -10.054 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.454 -10.080 -4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.610 -11.068 -2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.905 -10.807 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.068 -12.651 -4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.362 -13.162 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.650 -13.409 -4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.288 -11.910 -3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.012 -11.970 -5.120 1.00 0.00 H new ATOM 908 N ARG A 54 12.724 -5.896 -3.217 1.00 0.00 N ATOM 909 CA ARG A 54 12.928 -4.470 -3.028 1.00 0.00 C ATOM 910 C ARG A 54 11.603 -3.717 -3.084 1.00 0.00 C ATOM 911 O ARG A 54 11.575 -2.489 -3.190 1.00 0.00 O ATOM 912 CB ARG A 54 13.881 -3.946 -4.104 1.00 0.00 C ATOM 913 CG ARG A 54 15.250 -4.606 -4.065 1.00 0.00 C ATOM 914 CD ARG A 54 16.186 -4.016 -5.104 1.00 0.00 C ATOM 915 NE ARG A 54 17.541 -4.553 -4.991 1.00 0.00 N ATOM 916 CZ ARG A 54 18.567 -4.156 -5.745 1.00 0.00 C ATOM 917 NH1 ARG A 54 18.380 -3.250 -6.697 1.00 0.00 N ATOM 918 NH2 ARG A 54 19.775 -4.671 -5.553 1.00 0.00 N ATOM 0 H ARG A 54 12.798 -6.205 -4.186 1.00 0.00 H new ATOM 0 HA ARG A 54 13.365 -4.306 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.435 -4.108 -5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.000 -2.869 -3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.685 -4.485 -3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.143 -5.677 -4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.797 -4.222 -6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.215 -2.932 -4.991 1.00 0.00 H new ATOM 0 HE ARG A 54 17.712 -5.276 -4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.451 -2.857 -6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.165 -2.947 -7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.921 -5.373 -4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.558 -4.365 -6.131 1.00 0.00 H new ATOM 932 N PHE A 55 10.507 -4.455 -2.973 1.00 0.00 N ATOM 933 CA PHE A 55 9.181 -3.884 -3.164 1.00 0.00 C ATOM 934 C PHE A 55 8.152 -4.568 -2.277 1.00 0.00 C ATOM 935 O PHE A 55 8.156 -5.792 -2.140 1.00 0.00 O ATOM 936 CB PHE A 55 8.729 -4.032 -4.620 1.00 0.00 C ATOM 937 CG PHE A 55 9.565 -3.296 -5.629 1.00 0.00 C ATOM 938 CD1 PHE A 55 10.560 -3.953 -6.335 1.00 0.00 C ATOM 939 CD2 PHE A 55 9.347 -1.953 -5.880 1.00 0.00 C ATOM 940 CE1 PHE A 55 11.322 -3.281 -7.270 1.00 0.00 C ATOM 941 CE2 PHE A 55 10.107 -1.277 -6.814 1.00 0.00 C ATOM 942 CZ PHE A 55 11.097 -1.942 -7.510 1.00 0.00 C ATOM 0 H PHE A 55 10.510 -5.451 -2.752 1.00 0.00 H new ATOM 0 HA PHE A 55 9.250 -2.829 -2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.727 -5.091 -4.877 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.700 -3.683 -4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.741 -5.002 -6.152 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.574 -1.427 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 55 12.095 -3.804 -7.814 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.927 -0.228 -7.000 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.693 -1.415 -8.240 1.00 0.00 H new ATOM 952 N TYR A 56 7.283 -3.768 -1.678 1.00 0.00 N ATOM 953 CA TYR A 56 6.091 -4.280 -1.020 1.00 0.00 C ATOM 954 C TYR A 56 4.901 -4.127 -1.952 1.00 0.00 C ATOM 955 O TYR A 56 4.816 -3.149 -2.697 1.00 0.00 O ATOM 956 CB TYR A 56 5.803 -3.529 0.284 1.00 0.00 C ATOM 957 CG TYR A 56 6.550 -4.041 1.491 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.283 -5.298 2.013 1.00 0.00 C ATOM 959 CD2 TYR A 56 7.503 -3.258 2.121 1.00 0.00 C ATOM 960 CE1 TYR A 56 6.952 -5.764 3.127 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.178 -3.716 3.235 1.00 0.00 C ATOM 962 CZ TYR A 56 7.901 -4.970 3.735 1.00 0.00 C ATOM 963 OH TYR A 56 8.577 -5.428 4.843 1.00 0.00 O ATOM 0 H TYR A 56 7.383 -2.754 -1.634 1.00 0.00 H new ATOM 0 HA TYR A 56 6.260 -5.330 -0.781 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.049 -2.477 0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.733 -3.581 0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.539 -5.922 1.540 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.722 -2.273 1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.733 -6.746 3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.920 -3.094 3.713 1.00 0.00 H new ATOM 0 HH TYR A 56 7.934 -5.745 5.511 1.00 0.00 H new ATOM 973 N TYR A 57 3.996 -5.087 -1.920 1.00 0.00 N ATOM 974 CA TYR A 57 2.791 -5.027 -2.730 1.00 0.00 C ATOM 975 C TYR A 57 1.577 -5.349 -1.886 1.00 0.00 C ATOM 976 O TYR A 57 1.298 -6.511 -1.583 1.00 0.00 O ATOM 977 CB TYR A 57 2.890 -5.972 -3.927 1.00 0.00 C ATOM 978 CG TYR A 57 3.913 -5.517 -4.934 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.659 -4.423 -5.750 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.139 -6.155 -5.049 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.599 -3.978 -6.653 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.083 -5.717 -5.955 1.00 0.00 C ATOM 983 CZ TYR A 57 5.808 -4.627 -6.751 1.00 0.00 C ATOM 984 OH TYR A 57 6.749 -4.173 -7.638 1.00 0.00 O ATOM 0 H TYR A 57 4.072 -5.922 -1.339 1.00 0.00 H new ATOM 0 HA TYR A 57 2.684 -4.013 -3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.148 -6.972 -3.577 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.916 -6.045 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.710 -3.913 -5.676 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.358 -7.006 -4.421 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.388 -3.125 -7.280 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.032 -6.226 -6.040 1.00 0.00 H new ATOM 0 HH TYR A 57 7.564 -3.926 -7.153 1.00 0.00 H new ATOM 994 N VAL A 58 0.872 -4.309 -1.487 1.00 0.00 N ATOM 995 CA VAL A 58 -0.275 -4.466 -0.615 1.00 0.00 C ATOM 996 C VAL A 58 -1.576 -4.439 -1.408 1.00 0.00 C ATOM 997 O VAL A 58 -2.114 -3.371 -1.704 1.00 0.00 O ATOM 998 CB VAL A 58 -0.309 -3.373 0.470 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.422 -3.649 1.466 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.036 -3.274 1.175 1.00 0.00 C ATOM 0 H VAL A 58 1.074 -3.345 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.177 -5.437 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.510 -2.415 -0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.432 -2.868 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.380 -3.663 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.253 -4.615 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.991 -2.496 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.272 -4.229 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.810 -3.026 0.449 1.00 0.00 H new ATOM 1010 N SER A 59 -2.044 -5.620 -1.780 1.00 0.00 N ATOM 1011 CA SER A 59 -3.322 -5.782 -2.438 1.00 0.00 C ATOM 1012 C SER A 59 -4.441 -5.230 -1.563 1.00 0.00 C ATOM 1013 O SER A 59 -4.562 -5.611 -0.402 1.00 0.00 O ATOM 1014 CB SER A 59 -3.539 -7.267 -2.694 1.00 0.00 C ATOM 1015 OG SER A 59 -2.540 -7.785 -3.552 1.00 0.00 O ATOM 0 H SER A 59 -1.542 -6.495 -1.631 1.00 0.00 H new ATOM 0 HA SER A 59 -3.329 -5.234 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.527 -7.808 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.522 -7.423 -3.138 1.00 0.00 H new ATOM 0 HG SER A 59 -1.724 -7.958 -3.037 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.250 -4.335 -2.117 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.313 -3.683 -1.354 1.00 0.00 C ATOM 1023 C VAL A 60 -7.528 -3.388 -2.219 1.00 0.00 C ATOM 1024 O VAL A 60 -7.416 -3.162 -3.427 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.856 -2.348 -0.712 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.737 -2.579 0.282 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.434 -1.350 -1.780 1.00 0.00 C ATOM 0 H VAL A 60 -5.192 -4.042 -3.092 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.572 -4.391 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.704 -1.928 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.435 -1.627 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.084 -3.246 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.886 -3.031 -0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.118 -0.421 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.607 -1.763 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.275 -1.150 -2.444 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.687 -3.397 -1.585 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.911 -2.927 -2.208 1.00 0.00 C ATOM 1039 C ASP A 61 -10.066 -1.447 -1.891 1.00 0.00 C ATOM 1040 O ASP A 61 -10.076 -1.054 -0.721 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.115 -3.714 -1.685 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.400 -3.376 -2.413 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.879 -2.230 -2.292 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.955 -4.267 -3.091 1.00 0.00 O ATOM 0 H ASP A 61 -8.806 -3.729 -0.628 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.861 -3.075 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.917 -4.781 -1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.241 -3.511 -0.622 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.170 -0.628 -2.925 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.157 0.819 -2.756 1.00 0.00 C ATOM 1051 C ALA A 62 -11.513 1.371 -2.308 1.00 0.00 C ATOM 1052 O ALA A 62 -11.670 2.579 -2.146 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.697 1.489 -4.040 1.00 0.00 C ATOM 0 H ALA A 62 -10.265 -0.939 -3.892 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.450 1.048 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.691 2.570 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.692 1.148 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.378 1.229 -4.850 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.488 0.494 -2.114 1.00 0.00 N ATOM 1060 CA GLY A 63 -13.765 0.920 -1.568 1.00 0.00 C ATOM 1061 C GLY A 63 -14.813 1.179 -2.629 1.00 0.00 C ATOM 1062 O GLY A 63 -15.999 1.299 -2.321 1.00 0.00 O ATOM 0 H GLY A 63 -12.420 -0.502 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.133 0.156 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.618 1.828 -0.983 1.00 0.00 H new ATOM 1066 N ASP A 64 -14.382 1.265 -3.878 1.00 0.00 N ATOM 1067 CA ASP A 64 -15.298 1.511 -4.987 1.00 0.00 C ATOM 1068 C ASP A 64 -15.049 0.538 -6.126 1.00 0.00 C ATOM 1069 O ASP A 64 -15.068 0.913 -7.298 1.00 0.00 O ATOM 1070 CB ASP A 64 -15.175 2.953 -5.489 1.00 0.00 C ATOM 1071 CG ASP A 64 -16.099 3.902 -4.754 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -15.605 4.748 -3.979 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -17.330 3.805 -4.951 1.00 0.00 O ATOM 0 H ASP A 64 -13.404 1.168 -4.152 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.312 1.357 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.145 3.289 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.400 2.984 -6.555 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.809 -0.718 -5.778 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.617 -1.748 -6.782 1.00 0.00 C ATOM 1080 C GLY A 65 -13.187 -1.839 -7.269 1.00 0.00 C ATOM 1081 O GLY A 65 -12.743 -2.901 -7.705 1.00 0.00 O ATOM 0 H GLY A 65 -14.743 -1.045 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.916 -2.711 -6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.272 -1.548 -7.630 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.469 -0.726 -7.206 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.090 -0.681 -7.643 1.00 0.00 C ATOM 1087 C GLU A 66 -10.211 -1.554 -6.769 1.00 0.00 C ATOM 1088 O GLU A 66 -10.233 -1.450 -5.543 1.00 0.00 O ATOM 1089 CB GLU A 66 -10.573 0.750 -7.635 1.00 0.00 C ATOM 1090 CG GLU A 66 -11.109 1.593 -8.773 1.00 0.00 C ATOM 1091 CD GLU A 66 -10.479 2.968 -8.820 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -11.179 3.958 -8.529 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -9.276 3.066 -9.145 1.00 0.00 O ATOM 0 H GLU A 66 -12.827 0.162 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.052 -1.066 -8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.841 1.219 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.484 0.735 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.927 1.081 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.189 1.695 -8.668 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.438 -2.412 -7.407 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.540 -3.288 -6.695 1.00 0.00 C ATOM 1102 C LYS A 67 -7.105 -2.891 -6.971 1.00 0.00 C ATOM 1103 O LYS A 67 -6.622 -2.964 -8.105 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.795 -4.748 -7.060 1.00 0.00 C ATOM 1105 CG LYS A 67 -10.105 -5.268 -6.495 1.00 0.00 C ATOM 1106 CD LYS A 67 -10.404 -6.680 -6.955 1.00 0.00 C ATOM 1107 CE LYS A 67 -11.732 -7.158 -6.398 1.00 0.00 C ATOM 1108 NZ LYS A 67 -12.048 -8.548 -6.814 1.00 0.00 N ATOM 0 H LYS A 67 -9.417 -2.518 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.725 -3.186 -5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.804 -4.852 -8.145 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.974 -5.361 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.065 -5.243 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.918 -4.608 -6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.427 -6.715 -8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.607 -7.349 -6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.708 -7.103 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.526 -6.491 -6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.964 -8.832 -6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.097 -8.597 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.305 -9.190 -6.472 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.441 -2.447 -5.926 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.104 -1.909 -6.032 1.00 0.00 C ATOM 1124 C CYS A 68 -4.125 -2.814 -5.307 1.00 0.00 C ATOM 1125 O CYS A 68 -4.513 -3.819 -4.709 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.070 -0.499 -5.437 1.00 0.00 C ATOM 1127 SG CYS A 68 -3.552 0.436 -5.804 1.00 0.00 S ATOM 0 H CYS A 68 -6.815 -2.449 -4.977 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.816 -1.856 -7.082 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.927 0.061 -5.812 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.185 -0.571 -4.356 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.867 -2.446 -5.360 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.807 -3.224 -4.761 1.00 0.00 C ATOM 1134 C LYS A 69 -0.645 -2.295 -4.461 1.00 0.00 C ATOM 1135 O LYS A 69 0.282 -2.179 -5.254 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.391 -4.335 -5.725 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.503 -5.404 -5.124 1.00 0.00 C ATOM 1138 CD LYS A 69 -0.276 -6.534 -6.117 1.00 0.00 C ATOM 1139 CE LYS A 69 -1.590 -7.203 -6.497 1.00 0.00 C ATOM 1140 NZ LYS A 69 -1.435 -8.162 -7.621 1.00 0.00 N ATOM 0 H LYS A 69 -2.548 -1.595 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.140 -3.688 -3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.290 -4.810 -6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.871 -3.886 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.454 -4.969 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.961 -5.797 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.209 -6.144 -7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.400 -7.272 -5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.992 -7.727 -5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.317 -6.439 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.357 -8.590 -7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.077 -7.660 -8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.762 -8.908 -7.351 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.732 -1.598 -3.338 1.00 0.00 N ATOM 1155 CA PHE A 70 0.199 -0.520 -3.029 1.00 0.00 C ATOM 1156 C PHE A 70 1.644 -0.946 -3.195 1.00 0.00 C ATOM 1157 O PHE A 70 2.163 -1.776 -2.447 1.00 0.00 O ATOM 1158 CB PHE A 70 -0.054 0.042 -1.633 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.128 1.087 -1.631 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -0.798 2.433 -1.674 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.465 0.730 -1.610 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -1.782 3.401 -1.696 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.453 1.694 -1.629 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.111 3.031 -1.671 1.00 0.00 C ATOM 0 H PHE A 70 -1.440 -1.760 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 70 0.018 0.275 -3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.337 -0.769 -0.962 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.869 0.471 -1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.241 2.728 -1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.738 -0.314 -1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.512 4.446 -1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.493 1.403 -1.611 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.883 3.786 -1.684 1.00 0.00 H new ATOM 1174 N LYS A 71 2.268 -0.360 -4.204 1.00 0.00 N ATOM 1175 CA LYS A 71 3.642 -0.638 -4.558 1.00 0.00 C ATOM 1176 C LYS A 71 4.559 0.148 -3.639 1.00 0.00 C ATOM 1177 O LYS A 71 5.148 1.161 -4.029 1.00 0.00 O ATOM 1178 CB LYS A 71 3.873 -0.249 -6.025 1.00 0.00 C ATOM 1179 CG LYS A 71 5.274 -0.514 -6.560 1.00 0.00 C ATOM 1180 CD LYS A 71 5.346 -0.091 -8.013 1.00 0.00 C ATOM 1181 CE LYS A 71 6.716 -0.327 -8.622 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.088 -1.767 -8.673 1.00 0.00 N ATOM 0 H LYS A 71 1.823 0.332 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 71 3.858 -1.700 -4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.158 -0.791 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.654 0.812 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.009 0.036 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.517 -1.572 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.599 -0.641 -8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.094 0.967 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.735 0.084 -9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.463 0.216 -8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.063 -1.886 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.442 -2.314 -8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.019 -2.109 -9.653 1.00 0.00 H new ATOM 1196 N ILE A 72 4.639 -0.291 -2.397 1.00 0.00 N ATOM 1197 CA ILE A 72 5.483 0.370 -1.434 1.00 0.00 C ATOM 1198 C ILE A 72 6.926 0.005 -1.703 1.00 0.00 C ATOM 1199 O ILE A 72 7.442 -0.991 -1.188 1.00 0.00 O ATOM 1200 CB ILE A 72 5.119 0.020 0.026 1.00 0.00 C ATOM 1201 CG1 ILE A 72 3.641 0.320 0.300 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.008 0.797 0.988 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.187 -0.070 1.694 1.00 0.00 C ATOM 0 H ILE A 72 4.131 -1.099 -2.038 1.00 0.00 H new ATOM 0 HA ILE A 72 5.329 1.443 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 72 5.285 -1.046 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.463 1.385 0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.030 -0.208 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.743 0.543 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.052 0.539 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.867 1.866 0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.131 0.172 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.332 -1.141 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.771 0.478 2.433 1.00 0.00 H new ATOM 1215 N ARG A 73 7.546 0.765 -2.587 1.00 0.00 N ATOM 1216 CA ARG A 73 8.960 0.624 -2.826 1.00 0.00 C ATOM 1217 C ARG A 73 9.688 0.940 -1.546 1.00 0.00 C ATOM 1218 O ARG A 73 9.634 2.067 -1.057 1.00 0.00 O ATOM 1219 CB ARG A 73 9.433 1.552 -3.942 1.00 0.00 C ATOM 1220 CG ARG A 73 10.852 1.262 -4.404 1.00 0.00 C ATOM 1221 CD ARG A 73 11.146 1.881 -5.761 1.00 0.00 C ATOM 1222 NE ARG A 73 11.030 3.337 -5.748 1.00 0.00 N ATOM 1223 CZ ARG A 73 11.529 4.128 -6.698 1.00 0.00 C ATOM 1224 NH1 ARG A 73 12.221 3.607 -7.704 1.00 0.00 N ATOM 1225 NH2 ARG A 73 11.343 5.440 -6.637 1.00 0.00 N ATOM 0 H ARG A 73 7.088 1.484 -3.148 1.00 0.00 H new ATOM 0 HA ARG A 73 9.170 -0.397 -3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.756 1.462 -4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.375 2.584 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.559 1.647 -3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.003 0.184 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.152 1.603 -6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.458 1.471 -6.500 1.00 0.00 H new ATOM 0 HE ARG A 73 10.539 3.773 -4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.372 2.599 -7.751 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.602 4.214 -8.430 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.817 5.845 -5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.726 6.044 -7.365 1.00 0.00 H new ATOM 1239 N LYS A 74 10.319 -0.070 -0.988 1.00 0.00 N ATOM 1240 CA LYS A 74 11.053 0.098 0.256 1.00 0.00 C ATOM 1241 C LYS A 74 12.178 1.109 0.070 1.00 0.00 C ATOM 1242 O LYS A 74 12.442 1.559 -1.050 1.00 0.00 O ATOM 1243 CB LYS A 74 11.654 -1.227 0.723 1.00 0.00 C ATOM 1244 CG LYS A 74 10.695 -2.401 0.702 1.00 0.00 C ATOM 1245 CD LYS A 74 11.407 -3.675 1.125 1.00 0.00 C ATOM 1246 CE LYS A 74 10.500 -4.886 1.051 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.194 -6.109 1.520 1.00 0.00 N ATOM 0 H LYS A 74 10.341 -1.015 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 74 10.351 0.456 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.511 -1.464 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.031 -1.102 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.857 -2.206 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.282 -2.523 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.276 -3.834 0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.777 -3.562 2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.611 -4.715 1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.163 -5.028 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.490 -6.823 1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.788 -6.486 0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.791 -5.877 2.339 1.00 0.00 H new ATOM 1261 N ASP A 75 12.852 1.450 1.158 1.00 0.00 N ATOM 1262 CA ASP A 75 14.005 2.338 1.092 1.00 0.00 C ATOM 1263 C ASP A 75 15.185 1.620 0.454 1.00 0.00 C ATOM 1264 O ASP A 75 16.196 1.344 1.096 1.00 0.00 O ATOM 1265 CB ASP A 75 14.379 2.856 2.480 1.00 0.00 C ATOM 1266 CG ASP A 75 13.397 3.884 2.995 1.00 0.00 C ATOM 1267 OD1 ASP A 75 13.826 5.023 3.279 1.00 0.00 O ATOM 1268 OD2 ASP A 75 12.193 3.558 3.113 1.00 0.00 O ATOM 0 H ASP A 75 12.621 1.126 2.097 1.00 0.00 H new ATOM 0 HA ASP A 75 13.740 3.196 0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.424 2.019 3.177 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.376 3.295 2.444 1.00 0.00 H new ATOM 1273 N VAL A 76 15.011 1.277 -0.811 1.00 0.00 N ATOM 1274 CA VAL A 76 16.042 0.637 -1.607 1.00 0.00 C ATOM 1275 C VAL A 76 16.766 1.689 -2.424 1.00 0.00 C ATOM 1276 O VAL A 76 17.713 1.402 -3.159 1.00 0.00 O ATOM 1277 CB VAL A 76 15.437 -0.401 -2.574 1.00 0.00 C ATOM 1278 CG1 VAL A 76 14.731 -1.503 -1.809 1.00 0.00 C ATOM 1279 CG2 VAL A 76 14.472 0.260 -3.551 1.00 0.00 C ATOM 0 H VAL A 76 14.141 1.437 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 76 16.728 0.130 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 76 16.256 -0.841 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.312 -2.223 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.443 -2.006 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.929 -1.073 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.060 -0.494 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.662 0.735 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.003 1.012 -4.134 1.00 0.00 H new ATOM 1289 N ASP A 77 16.290 2.908 -2.265 1.00 0.00 N ATOM 1290 CA ASP A 77 16.709 4.036 -3.089 1.00 0.00 C ATOM 1291 C ASP A 77 16.036 5.313 -2.605 1.00 0.00 C ATOM 1292 O ASP A 77 16.699 6.295 -2.277 1.00 0.00 O ATOM 1293 CB ASP A 77 16.349 3.786 -4.558 1.00 0.00 C ATOM 1294 CG ASP A 77 16.711 4.950 -5.458 1.00 0.00 C ATOM 1295 OD1 ASP A 77 15.805 5.714 -5.840 1.00 0.00 O ATOM 1296 OD2 ASP A 77 17.906 5.100 -5.788 1.00 0.00 O ATOM 0 H ASP A 77 15.597 3.150 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 77 17.790 4.146 -3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.863 2.890 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 77 15.280 3.591 -4.637 1.00 0.00 H new ATOM 1301 N VAL A 78 14.713 5.285 -2.544 1.00 0.00 N ATOM 1302 CA VAL A 78 13.945 6.430 -2.085 1.00 0.00 C ATOM 1303 C VAL A 78 13.169 6.062 -0.825 1.00 0.00 C ATOM 1304 O VAL A 78 12.721 4.926 -0.670 1.00 0.00 O ATOM 1305 CB VAL A 78 12.955 6.925 -3.172 1.00 0.00 C ATOM 1306 CG1 VAL A 78 11.847 5.912 -3.375 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.351 8.278 -2.828 1.00 0.00 C ATOM 0 H VAL A 78 14.148 4.478 -2.808 1.00 0.00 H new ATOM 0 HA VAL A 78 14.647 7.236 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 78 13.525 7.039 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.160 6.273 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.276 4.962 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.306 5.772 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.665 8.582 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.809 8.205 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.146 9.018 -2.733 1.00 0.00 H new ATOM 1317 N PRO A 79 13.026 7.012 0.094 1.00 0.00 N ATOM 1318 CA PRO A 79 12.195 6.857 1.283 1.00 0.00 C ATOM 1319 C PRO A 79 10.733 7.141 0.976 1.00 0.00 C ATOM 1320 O PRO A 79 10.094 7.962 1.640 1.00 0.00 O ATOM 1321 CB PRO A 79 12.746 7.947 2.184 1.00 0.00 C ATOM 1322 CG PRO A 79 13.055 9.033 1.232 1.00 0.00 C ATOM 1323 CD PRO A 79 13.672 8.333 0.060 1.00 0.00 C ATOM 0 HA PRO A 79 12.224 5.852 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 79 12.018 8.260 2.932 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.634 7.616 2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.155 9.576 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.740 9.760 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.473 8.857 -0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.755 8.257 0.158 1.00 0.00 H new ATOM 1331 N LYS A 80 10.193 6.480 -0.029 1.00 0.00 N ATOM 1332 CA LYS A 80 8.833 6.760 -0.431 1.00 0.00 C ATOM 1333 C LYS A 80 8.179 5.575 -1.107 1.00 0.00 C ATOM 1334 O LYS A 80 8.779 4.915 -1.956 1.00 0.00 O ATOM 1335 CB LYS A 80 8.784 7.964 -1.370 1.00 0.00 C ATOM 1336 CG LYS A 80 7.786 9.019 -0.927 1.00 0.00 C ATOM 1337 CD LYS A 80 7.533 10.054 -2.012 1.00 0.00 C ATOM 1338 CE LYS A 80 8.794 10.817 -2.389 1.00 0.00 C ATOM 1339 NZ LYS A 80 8.528 11.812 -3.462 1.00 0.00 N ATOM 0 H LYS A 80 10.667 5.758 -0.572 1.00 0.00 H new ATOM 0 HA LYS A 80 8.278 6.980 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.776 8.412 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.526 7.625 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.845 8.538 -0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.158 9.516 -0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.133 9.559 -2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.774 10.758 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.190 11.325 -1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.559 10.116 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.408 12.315 -3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.174 11.323 -4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.816 12.495 -3.133 1.00 0.00 H new ATOM 1353 N MET A 81 6.948 5.318 -0.700 1.00 0.00 N ATOM 1354 CA MET A 81 6.072 4.405 -1.406 1.00 0.00 C ATOM 1355 C MET A 81 5.932 4.911 -2.843 1.00 0.00 C ATOM 1356 O MET A 81 5.274 5.919 -3.093 1.00 0.00 O ATOM 1357 CB MET A 81 4.721 4.348 -0.668 1.00 0.00 C ATOM 1358 CG MET A 81 3.672 3.437 -1.289 1.00 0.00 C ATOM 1359 SD MET A 81 2.780 4.218 -2.643 1.00 0.00 S ATOM 1360 CE MET A 81 2.155 5.697 -1.861 1.00 0.00 C ATOM 0 H MET A 81 6.529 5.738 0.130 1.00 0.00 H new ATOM 0 HA MET A 81 6.471 3.391 -1.436 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.900 4.021 0.356 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.314 5.358 -0.614 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.155 2.531 -1.654 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.962 3.132 -0.520 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.104 5.829 -2.120 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.254 5.606 -0.779 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.725 6.560 -2.206 1.00 0.00 H new ATOM 1370 N VAL A 82 6.624 4.246 -3.766 1.00 0.00 N ATOM 1371 CA VAL A 82 6.759 4.740 -5.138 1.00 0.00 C ATOM 1372 C VAL A 82 5.416 4.876 -5.850 1.00 0.00 C ATOM 1373 O VAL A 82 5.199 5.825 -6.605 1.00 0.00 O ATOM 1374 CB VAL A 82 7.697 3.845 -5.988 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.103 2.458 -6.212 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.010 4.513 -7.319 1.00 0.00 C ATOM 0 H VAL A 82 7.101 3.362 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 82 7.200 5.732 -5.044 1.00 0.00 H new ATOM 0 HB VAL A 82 8.625 3.719 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.790 1.861 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.943 1.971 -5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.151 2.550 -6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.670 3.871 -7.902 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.084 4.678 -7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.501 5.469 -7.140 1.00 0.00 H new ATOM 1386 N GLY A 83 4.516 3.944 -5.604 1.00 0.00 N ATOM 1387 CA GLY A 83 3.267 3.956 -6.311 1.00 0.00 C ATOM 1388 C GLY A 83 2.316 2.898 -5.824 1.00 0.00 C ATOM 1389 O GLY A 83 2.447 2.384 -4.721 1.00 0.00 O ATOM 0 H GLY A 83 4.629 3.185 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.802 4.936 -6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.454 3.809 -7.375 1.00 0.00 H new ATOM 1393 N ARG A 84 1.394 2.527 -6.672 1.00 0.00 N ATOM 1394 CA ARG A 84 0.273 1.715 -6.257 1.00 0.00 C ATOM 1395 C ARG A 84 -0.201 0.878 -7.433 1.00 0.00 C ATOM 1396 O ARG A 84 -0.596 1.404 -8.466 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.852 2.608 -5.705 1.00 0.00 C ATOM 1398 CG ARG A 84 -1.448 3.565 -6.729 1.00 0.00 C ATOM 1399 CD ARG A 84 -0.497 4.705 -7.057 1.00 0.00 C ATOM 1400 NE ARG A 84 -0.876 5.428 -8.269 1.00 0.00 N ATOM 1401 CZ ARG A 84 -0.156 6.419 -8.794 1.00 0.00 C ATOM 1402 NH1 ARG A 84 0.957 6.821 -8.198 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -0.547 7.012 -9.912 1.00 0.00 N ATOM 0 H ARG A 84 1.395 2.774 -7.662 1.00 0.00 H new ATOM 0 HA ARG A 84 0.578 1.041 -5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.646 1.972 -5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.463 3.186 -4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.688 3.018 -7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.384 3.971 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.468 5.401 -6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.511 4.308 -7.176 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.740 5.159 -8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.264 6.372 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.506 7.580 -8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.404 6.711 -10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.009 7.770 -10.309 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.151 -0.424 -7.265 1.00 0.00 N ATOM 1418 CA LYS A 85 -0.363 -1.349 -8.366 1.00 0.00 C ATOM 1419 C LYS A 85 -1.848 -1.654 -8.543 1.00 0.00 C ATOM 1420 O LYS A 85 -2.271 -2.807 -8.487 1.00 0.00 O ATOM 1421 CB LYS A 85 0.445 -2.630 -8.118 1.00 0.00 C ATOM 1422 CG LYS A 85 0.653 -3.509 -9.338 1.00 0.00 C ATOM 1423 CD LYS A 85 2.131 -3.798 -9.549 1.00 0.00 C ATOM 1424 CE LYS A 85 2.356 -4.881 -10.588 1.00 0.00 C ATOM 1425 NZ LYS A 85 2.100 -6.238 -10.046 1.00 0.00 N ATOM 0 H LYS A 85 0.036 -0.874 -6.369 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.016 -0.890 -9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.421 -2.353 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.060 -3.216 -7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.109 -4.445 -9.214 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.244 -3.017 -10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.638 -2.885 -9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.579 -4.104 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.703 -4.704 -11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.381 -4.825 -10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.266 -6.946 -10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.740 -6.419 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.114 -6.302 -9.721 1.00 0.00 H new ATOM 1439 N CYS A 86 -2.643 -0.611 -8.743 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.056 -0.799 -9.015 1.00 0.00 C ATOM 1441 C CYS A 86 -4.262 -0.976 -10.497 1.00 0.00 C ATOM 1442 O CYS A 86 -3.827 -0.153 -11.301 1.00 0.00 O ATOM 1443 CB CYS A 86 -4.911 0.371 -8.537 1.00 0.00 C ATOM 1444 SG CYS A 86 -4.056 1.545 -7.430 1.00 0.00 S ATOM 0 H CYS A 86 -2.336 0.361 -8.722 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.371 -1.686 -8.465 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.276 0.915 -9.408 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.785 -0.024 -8.019 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.920 -2.049 -10.847 1.00 0.00 N ATOM 1450 CA ARG A 87 -5.203 -2.355 -12.231 1.00 0.00 C ATOM 1451 C ARG A 87 -6.524 -3.081 -12.309 1.00 0.00 C ATOM 1452 O ARG A 87 -7.187 -3.081 -13.344 1.00 0.00 O ATOM 1453 CB ARG A 87 -4.067 -3.170 -12.845 1.00 0.00 C ATOM 1454 CG ARG A 87 -2.995 -2.297 -13.473 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.850 -3.119 -14.022 1.00 0.00 C ATOM 1456 NE ARG A 87 -0.975 -2.329 -14.883 1.00 0.00 N ATOM 1457 CZ ARG A 87 -0.163 -2.856 -15.798 1.00 0.00 C ATOM 1458 NH1 ARG A 87 -0.163 -4.165 -16.013 1.00 0.00 N ATOM 1459 NH2 ARG A 87 0.625 -2.074 -16.522 1.00 0.00 N ATOM 0 H ARG A 87 -5.276 -2.737 -10.184 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.277 -1.434 -12.809 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.616 -3.795 -12.075 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.474 -3.841 -13.602 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.434 -1.704 -14.275 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.615 -1.596 -12.729 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.270 -3.531 -13.196 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.247 -3.964 -14.585 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.986 -1.314 -14.778 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.786 -4.770 -15.477 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.459 -4.567 -16.714 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.611 -1.064 -16.380 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.245 -2.482 -17.221 1.00 0.00 H new