USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 766 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 28 SER OG : rot 36:sc= 0.875 USER MOD Set 1.2: B 209 SER OG : rot 180:sc= 0.759 USER MOD Set 2.1: A 78 HIS : no HE2:sc= 0.701 K(o=2,f=-7.1!) USER MOD Set 2.2: B 208 THR OG1 : rot 122:sc= 1.32 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 1.04 (180deg=1.03) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -37:sc= 1.21 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0566 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 14:sc= 0.96 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.12) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= -0.0112 (180deg=-0.194) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -43:sc= 0.146 USER MOD Single : A 60 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.018) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0706 X(o=-0.071,f=0.025) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.654 USER MOD Single : A 79 LYS NZ :NH3+ -168:sc=-0.000414 (180deg=-0.147) USER MOD Single : A 80 GLN : amide:sc=-0.00807 X(o=-0.0081,f=0) USER MOD Single : A 84 THR OG1 : rot 103:sc= 1.24 USER MOD Single : A 87 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.5!) USER MOD Single : A 88 THR OG1 : rot -87:sc= 1.23 USER MOD Single : A 90 GLN : amide:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -1.02 X(o=-1,f=-1.2) USER MOD Single : A 98 LYS NZ :NH3+ -134:sc= 1.07 (180deg=0.062) USER MOD Single : A 100 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -15.705 -8.621 -0.447 1.00 0.00 N ATOM 2 CA MET A 8 -14.740 -9.512 0.121 1.00 0.00 C ATOM 3 C MET A 8 -14.616 -10.710 -0.755 1.00 0.00 C ATOM 4 O MET A 8 -15.285 -11.726 -0.570 1.00 0.00 O ATOM 5 CB MET A 8 -15.083 -9.907 1.568 1.00 0.00 C ATOM 6 CG MET A 8 -14.792 -8.821 2.605 1.00 0.00 C ATOM 7 SD MET A 8 -15.993 -7.458 2.685 1.00 0.00 S ATOM 8 CE MET A 8 -15.101 -6.562 3.988 1.00 0.00 C ATOM 0 HA MET A 8 -13.781 -8.996 0.174 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.140 -10.168 1.620 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.520 -10.803 1.830 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.737 -9.289 3.588 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.808 -8.401 2.397 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.642 -5.649 4.238 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.023 -7.191 4.874 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.102 -6.307 3.635 1.00 0.00 H new ATOM 18 N LYS A 9 -13.751 -10.626 -1.781 1.00 0.00 N ATOM 19 CA LYS A 9 -13.649 -11.608 -2.815 1.00 0.00 C ATOM 20 C LYS A 9 -12.271 -12.167 -2.920 1.00 0.00 C ATOM 21 O LYS A 9 -11.325 -11.467 -2.562 1.00 0.00 O ATOM 22 CB LYS A 9 -14.032 -10.982 -4.166 1.00 0.00 C ATOM 23 CG LYS A 9 -15.388 -10.273 -4.131 1.00 0.00 C ATOM 24 CD LYS A 9 -15.949 -9.991 -5.526 1.00 0.00 C ATOM 25 CE LYS A 9 -17.358 -9.399 -5.463 1.00 0.00 C ATOM 26 NZ LYS A 9 -17.976 -9.393 -6.809 1.00 0.00 N ATOM 0 H LYS A 9 -13.101 -9.848 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 9 -14.331 -12.420 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.262 -10.269 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.054 -11.761 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.098 -10.886 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.287 -9.333 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.288 -9.301 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.969 -10.915 -6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.973 -9.980 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.315 -8.383 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.932 -8.988 -6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.396 -8.819 -7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.034 -10.367 -7.169 1.00 0.00 H new ATOM 40 N PRO A 10 -12.027 -13.369 -3.353 1.00 0.00 N ATOM 41 CA PRO A 10 -10.692 -13.823 -3.609 1.00 0.00 C ATOM 42 C PRO A 10 -10.145 -13.330 -4.904 1.00 0.00 C ATOM 43 O PRO A 10 -10.898 -12.995 -5.817 1.00 0.00 O ATOM 44 CB PRO A 10 -10.802 -15.345 -3.578 1.00 0.00 C ATOM 45 CG PRO A 10 -12.242 -15.646 -4.026 1.00 0.00 C ATOM 46 CD PRO A 10 -13.017 -14.422 -3.512 1.00 0.00 C ATOM 0 HA PRO A 10 -9.990 -13.438 -2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.075 -15.807 -4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.609 -15.735 -2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.317 -15.747 -5.109 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.616 -16.574 -3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.794 -14.126 -4.217 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.512 -14.641 -2.566 1.00 0.00 H new ATOM 54 N GLY A 11 -8.807 -13.241 -5.005 1.00 0.00 N ATOM 55 CA GLY A 11 -8.091 -12.630 -6.082 1.00 0.00 C ATOM 56 C GLY A 11 -8.483 -11.220 -6.365 1.00 0.00 C ATOM 57 O GLY A 11 -8.848 -10.879 -7.489 1.00 0.00 O ATOM 0 H GLY A 11 -8.187 -13.620 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.025 -12.659 -5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.241 -13.223 -6.984 1.00 0.00 H new ATOM 61 N ASP A 12 -8.466 -10.353 -5.337 1.00 0.00 N ATOM 62 CA ASP A 12 -8.911 -8.998 -5.454 1.00 0.00 C ATOM 63 C ASP A 12 -7.753 -8.098 -5.195 1.00 0.00 C ATOM 64 O ASP A 12 -7.386 -7.858 -4.046 1.00 0.00 O ATOM 65 CB ASP A 12 -10.061 -8.811 -4.451 1.00 0.00 C ATOM 66 CG ASP A 12 -11.085 -7.770 -4.884 1.00 0.00 C ATOM 67 OD1 ASP A 12 -11.592 -7.881 -6.032 1.00 0.00 O ATOM 68 OD2 ASP A 12 -11.452 -6.892 -4.058 1.00 0.00 O ATOM 0 H ASP A 12 -8.136 -10.598 -4.404 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.284 -8.756 -6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.565 -9.767 -4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.646 -8.521 -3.486 1.00 0.00 H new ATOM 73 N THR A 13 -7.101 -7.589 -6.256 1.00 0.00 N ATOM 74 CA THR A 13 -6.134 -6.540 -6.158 1.00 0.00 C ATOM 75 C THR A 13 -6.790 -5.225 -6.407 1.00 0.00 C ATOM 76 O THR A 13 -7.535 -5.046 -7.370 1.00 0.00 O ATOM 77 CB THR A 13 -4.931 -6.630 -7.050 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.236 -7.147 -8.336 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.912 -7.572 -6.387 1.00 0.00 C ATOM 0 H THR A 13 -7.251 -7.917 -7.210 1.00 0.00 H new ATOM 0 HA THR A 13 -5.750 -6.648 -5.144 1.00 0.00 H new ATOM 0 HB THR A 13 -4.541 -5.621 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.419 -7.183 -8.876 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.027 -7.653 -7.018 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.628 -7.173 -5.413 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.358 -8.558 -6.259 1.00 0.00 H new ATOM 87 N PHE A 14 -6.529 -4.250 -5.520 1.00 0.00 N ATOM 88 CA PHE A 14 -7.089 -2.934 -5.564 1.00 0.00 C ATOM 89 C PHE A 14 -5.972 -1.950 -5.596 1.00 0.00 C ATOM 90 O PHE A 14 -5.116 -1.914 -4.714 1.00 0.00 O ATOM 91 CB PHE A 14 -8.113 -2.571 -4.474 1.00 0.00 C ATOM 92 CG PHE A 14 -7.945 -3.138 -3.106 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.873 -4.488 -2.860 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.005 -2.294 -2.022 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.720 -4.978 -1.584 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.826 -2.763 -0.742 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.673 -4.112 -0.518 1.00 0.00 C ATOM 0 H PHE A 14 -5.896 -4.385 -4.732 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.692 -2.905 -6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.123 -1.485 -4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.097 -2.869 -4.835 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.938 -5.180 -3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.196 -1.243 -2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.637 -6.042 -1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.805 -2.072 0.088 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.518 -4.486 0.483 1.00 0.00 H new ATOM 107 N GLU A 15 -5.936 -1.117 -6.652 1.00 0.00 N ATOM 108 CA GLU A 15 -4.933 -0.116 -6.842 1.00 0.00 C ATOM 109 C GLU A 15 -5.473 1.198 -6.391 1.00 0.00 C ATOM 110 O GLU A 15 -5.959 2.028 -7.158 1.00 0.00 O ATOM 111 CB GLU A 15 -4.409 -0.129 -8.288 1.00 0.00 C ATOM 112 CG GLU A 15 -4.192 -1.550 -8.813 1.00 0.00 C ATOM 113 CD GLU A 15 -3.380 -1.623 -10.098 1.00 0.00 C ATOM 114 OE1 GLU A 15 -2.280 -1.011 -10.161 1.00 0.00 O ATOM 115 OE2 GLU A 15 -3.850 -2.297 -11.054 1.00 0.00 O ATOM 0 H GLU A 15 -6.630 -1.142 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.056 -0.326 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.117 0.391 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.470 0.422 -8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.688 -2.136 -8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.163 -2.015 -8.983 1.00 0.00 H new ATOM 122 N VAL A 16 -5.460 1.399 -5.062 1.00 0.00 N ATOM 123 CA VAL A 16 -6.026 2.500 -4.346 1.00 0.00 C ATOM 124 C VAL A 16 -5.142 3.698 -4.395 1.00 0.00 C ATOM 125 O VAL A 16 -4.041 3.673 -3.847 1.00 0.00 O ATOM 126 CB VAL A 16 -6.178 2.100 -2.908 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.802 3.236 -2.081 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.043 0.834 -2.780 1.00 0.00 C ATOM 0 H VAL A 16 -5.013 0.731 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.983 2.750 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.181 1.890 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.901 2.919 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.162 4.117 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.786 3.479 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.139 0.564 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.032 1.025 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.572 0.015 -3.324 1.00 0.00 H new ATOM 138 N GLU A 17 -5.543 4.824 -5.012 1.00 0.00 N ATOM 139 CA GLU A 17 -4.687 5.960 -5.147 1.00 0.00 C ATOM 140 C GLU A 17 -5.108 7.038 -4.209 1.00 0.00 C ATOM 141 O GLU A 17 -6.226 7.548 -4.252 1.00 0.00 O ATOM 142 CB GLU A 17 -4.447 6.379 -6.607 1.00 0.00 C ATOM 143 CG GLU A 17 -5.343 7.456 -7.223 1.00 0.00 C ATOM 144 CD GLU A 17 -5.305 7.427 -8.744 1.00 0.00 C ATOM 145 OE1 GLU A 17 -5.840 6.445 -9.326 1.00 0.00 O ATOM 146 OE2 GLU A 17 -4.785 8.387 -9.373 1.00 0.00 O ATOM 0 H GLU A 17 -6.469 4.947 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.681 5.681 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.416 6.723 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.533 5.485 -7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.369 7.312 -6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.025 8.437 -6.871 1.00 0.00 H new ATOM 153 N LEU A 18 -4.219 7.350 -3.249 1.00 0.00 N ATOM 154 CA LEU A 18 -4.490 8.193 -2.126 1.00 0.00 C ATOM 155 C LEU A 18 -3.618 9.400 -2.186 1.00 0.00 C ATOM 156 O LEU A 18 -2.570 9.387 -2.830 1.00 0.00 O ATOM 157 CB LEU A 18 -4.141 7.466 -0.816 1.00 0.00 C ATOM 158 CG LEU A 18 -4.844 6.109 -0.639 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.297 5.400 0.612 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.373 6.263 -0.618 1.00 0.00 C ATOM 0 H LEU A 18 -3.262 6.996 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.547 8.459 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.063 7.311 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.402 8.110 0.024 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.623 5.478 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.797 4.439 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.225 5.239 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.481 6.019 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.836 5.284 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.662 6.911 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.707 6.704 -1.557 1.00 0.00 H new ATOM 172 N ALA A 19 -3.991 10.473 -1.466 1.00 0.00 N ATOM 173 CA ALA A 19 -3.139 11.597 -1.230 1.00 0.00 C ATOM 174 C ALA A 19 -2.919 11.735 0.236 1.00 0.00 C ATOM 175 O ALA A 19 -3.807 12.140 0.987 1.00 0.00 O ATOM 176 CB ALA A 19 -3.728 12.876 -1.853 1.00 0.00 C ATOM 0 H ALA A 19 -4.912 10.561 -1.036 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.174 11.438 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.061 13.716 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.837 12.740 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.704 13.079 -1.413 1.00 0.00 H new ATOM 182 N LYS A 20 -1.721 11.359 0.717 1.00 0.00 N ATOM 183 CA LYS A 20 -1.406 11.299 2.111 1.00 0.00 C ATOM 184 C LYS A 20 -1.371 12.611 2.817 1.00 0.00 C ATOM 185 O LYS A 20 -1.005 13.648 2.267 1.00 0.00 O ATOM 186 CB LYS A 20 -0.144 10.475 2.415 1.00 0.00 C ATOM 187 CG LYS A 20 0.998 10.461 1.398 1.00 0.00 C ATOM 188 CD LYS A 20 1.948 11.659 1.434 1.00 0.00 C ATOM 189 CE LYS A 20 3.214 11.324 0.641 1.00 0.00 C ATOM 190 NZ LYS A 20 4.226 12.402 0.699 1.00 0.00 N ATOM 0 H LYS A 20 -0.944 11.087 0.115 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.263 10.769 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.263 10.834 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.456 9.443 2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.583 9.555 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.567 10.396 0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.461 12.537 1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.205 11.904 2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.648 10.403 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.947 11.137 -0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.099 12.084 0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.862 13.246 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.429 12.635 1.692 1.00 0.00 H new ATOM 204 N THR A 21 -1.784 12.600 4.097 1.00 0.00 N ATOM 205 CA THR A 21 -1.967 13.754 4.922 1.00 0.00 C ATOM 206 C THR A 21 -0.777 13.916 5.803 1.00 0.00 C ATOM 207 O THR A 21 -0.499 13.093 6.675 1.00 0.00 O ATOM 208 CB THR A 21 -3.271 13.728 5.661 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.462 14.852 6.506 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.524 12.468 6.506 1.00 0.00 C ATOM 0 H THR A 21 -2.003 11.732 4.585 1.00 0.00 H new ATOM 0 HA THR A 21 -2.038 14.641 4.293 1.00 0.00 H new ATOM 0 HB THR A 21 -3.989 13.740 4.841 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.329 14.778 6.958 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.493 12.549 6.999 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.518 11.590 5.861 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.741 12.371 7.258 1.00 0.00 H new ATOM 218 N ASP A 22 0.029 14.963 5.555 1.00 0.00 N ATOM 219 CA ASP A 22 1.201 15.329 6.289 1.00 0.00 C ATOM 220 C ASP A 22 2.271 14.295 6.370 1.00 0.00 C ATOM 221 O ASP A 22 3.146 14.325 7.233 1.00 0.00 O ATOM 222 CB ASP A 22 0.773 15.925 7.641 1.00 0.00 C ATOM 223 CG ASP A 22 1.727 16.980 8.181 1.00 0.00 C ATOM 224 OD1 ASP A 22 1.929 18.016 7.493 1.00 0.00 O ATOM 225 OD2 ASP A 22 2.232 16.831 9.326 1.00 0.00 O ATOM 0 H ASP A 22 -0.154 15.602 4.782 1.00 0.00 H new ATOM 0 HA ASP A 22 1.719 16.097 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.218 16.366 7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.687 15.120 8.371 1.00 0.00 H new ATOM 230 N GLY A 23 2.267 13.314 5.450 1.00 0.00 N ATOM 231 CA GLY A 23 3.119 12.167 5.500 1.00 0.00 C ATOM 232 C GLY A 23 2.540 11.057 6.307 1.00 0.00 C ATOM 233 O GLY A 23 3.143 10.594 7.274 1.00 0.00 O ATOM 0 H GLY A 23 1.647 13.320 4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.307 11.814 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.083 12.453 5.921 1.00 0.00 H new ATOM 237 N SER A 24 1.335 10.597 5.923 1.00 0.00 N ATOM 238 CA SER A 24 0.570 9.584 6.579 1.00 0.00 C ATOM 239 C SER A 24 -0.612 9.308 5.714 1.00 0.00 C ATOM 240 O SER A 24 -1.488 10.139 5.477 1.00 0.00 O ATOM 241 CB SER A 24 0.187 9.837 8.048 1.00 0.00 C ATOM 242 OG SER A 24 -0.759 10.876 8.254 1.00 0.00 O ATOM 0 H SER A 24 0.864 10.961 5.095 1.00 0.00 H new ATOM 0 HA SER A 24 1.213 8.710 6.687 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.214 8.914 8.467 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.092 10.075 8.607 1.00 0.00 H new ATOM 0 HG SER A 24 -0.591 11.602 7.618 1.00 0.00 H new ATOM 248 N LEU A 25 -0.654 8.095 5.137 1.00 0.00 N ATOM 249 CA LEU A 25 -1.791 7.490 4.513 1.00 0.00 C ATOM 250 C LEU A 25 -2.690 7.054 5.619 1.00 0.00 C ATOM 251 O LEU A 25 -3.912 7.191 5.605 1.00 0.00 O ATOM 252 CB LEU A 25 -1.319 6.222 3.782 1.00 0.00 C ATOM 253 CG LEU A 25 -0.151 6.421 2.800 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.643 5.110 2.671 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.616 6.985 1.447 1.00 0.00 C ATOM 0 H LEU A 25 0.168 7.492 5.104 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.282 8.174 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.023 5.483 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.164 5.803 3.235 1.00 0.00 H new ATOM 0 HG LEU A 25 0.521 7.179 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.470 5.252 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.035 4.825 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.013 4.323 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.244 7.108 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.327 6.296 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.095 7.952 1.601 1.00 0.00 H new ATOM 267 N GLY A 26 -2.044 6.524 6.673 1.00 0.00 N ATOM 268 CA GLY A 26 -2.659 6.211 7.926 1.00 0.00 C ATOM 269 C GLY A 26 -2.687 4.736 8.139 1.00 0.00 C ATOM 270 O GLY A 26 -3.673 4.195 8.635 1.00 0.00 O ATOM 0 H GLY A 26 -1.048 6.304 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.111 6.691 8.737 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.674 6.607 7.949 1.00 0.00 H new ATOM 274 N ILE A 27 -1.575 4.079 7.764 1.00 0.00 N ATOM 275 CA ILE A 27 -1.389 2.678 7.977 1.00 0.00 C ATOM 276 C ILE A 27 -0.054 2.413 8.585 1.00 0.00 C ATOM 277 O ILE A 27 0.986 2.866 8.110 1.00 0.00 O ATOM 278 CB ILE A 27 -1.581 1.900 6.710 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.750 2.469 5.547 1.00 0.00 C ATOM 280 CG2 ILE A 27 -3.078 1.943 6.363 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.851 1.591 4.300 1.00 0.00 C ATOM 0 H ILE A 27 -0.787 4.532 7.302 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.151 2.339 8.678 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.240 0.876 6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.094 3.476 5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.294 2.551 5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.255 1.385 5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.653 1.496 7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.390 2.978 6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.251 2.025 3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.483 0.591 4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.892 1.530 3.981 1.00 0.00 H new ATOM 293 N SER A 28 -0.049 1.662 9.701 1.00 0.00 N ATOM 294 CA SER A 28 1.121 1.084 10.287 1.00 0.00 C ATOM 295 C SER A 28 1.520 -0.168 9.588 1.00 0.00 C ATOM 296 O SER A 28 0.759 -1.132 9.519 1.00 0.00 O ATOM 297 CB SER A 28 0.969 0.662 11.758 1.00 0.00 C ATOM 298 OG SER A 28 1.233 1.744 12.638 1.00 0.00 O ATOM 0 H SER A 28 -0.901 1.448 10.219 1.00 0.00 H new ATOM 0 HA SER A 28 1.853 1.887 10.200 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.041 0.291 11.929 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.652 -0.160 11.975 1.00 0.00 H new ATOM 0 HG SER A 28 0.901 2.577 12.242 1.00 0.00 H new ATOM 304 N VAL A 29 2.770 -0.209 9.091 1.00 0.00 N ATOM 305 CA VAL A 29 3.286 -1.354 8.408 1.00 0.00 C ATOM 306 C VAL A 29 3.798 -2.462 9.262 1.00 0.00 C ATOM 307 O VAL A 29 4.368 -2.252 10.332 1.00 0.00 O ATOM 308 CB VAL A 29 4.342 -0.924 7.433 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.653 -0.027 6.392 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.492 -0.206 8.158 1.00 0.00 C ATOM 0 H VAL A 29 3.431 0.564 9.165 1.00 0.00 H new ATOM 0 HA VAL A 29 2.422 -1.786 7.903 1.00 0.00 H new ATOM 0 HB VAL A 29 4.795 -1.781 6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.387 0.310 5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.869 -0.592 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.214 0.837 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.247 0.097 7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.106 0.676 8.669 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.940 -0.881 8.887 1.00 0.00 H new ATOM 320 N THR A 30 3.629 -3.719 8.813 1.00 0.00 N ATOM 321 CA THR A 30 4.202 -4.891 9.399 1.00 0.00 C ATOM 322 C THR A 30 4.631 -5.818 8.314 1.00 0.00 C ATOM 323 O THR A 30 4.345 -5.608 7.136 1.00 0.00 O ATOM 324 CB THR A 30 3.309 -5.581 10.388 1.00 0.00 C ATOM 325 OG1 THR A 30 3.934 -6.647 11.087 1.00 0.00 O ATOM 326 CG2 THR A 30 2.038 -6.134 9.720 1.00 0.00 C ATOM 0 H THR A 30 3.059 -3.928 7.993 1.00 0.00 H new ATOM 0 HA THR A 30 5.065 -4.571 9.983 1.00 0.00 H new ATOM 0 HB THR A 30 3.058 -4.802 11.108 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.295 -7.047 11.713 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.418 -6.626 10.469 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.479 -5.315 9.267 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.315 -6.853 8.949 1.00 0.00 H new ATOM 334 N GLY A 31 5.364 -6.887 8.669 1.00 0.00 N ATOM 335 CA GLY A 31 5.892 -7.855 7.759 1.00 0.00 C ATOM 336 C GLY A 31 7.234 -7.497 7.219 1.00 0.00 C ATOM 337 O GLY A 31 8.146 -7.127 7.957 1.00 0.00 O ATOM 0 H GLY A 31 5.601 -7.087 9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.958 -8.818 8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.197 -7.978 6.929 1.00 0.00 H new ATOM 341 N GLY A 32 7.411 -7.626 5.892 1.00 0.00 N ATOM 342 CA GLY A 32 8.639 -7.372 5.205 1.00 0.00 C ATOM 343 C GLY A 32 9.453 -8.606 5.014 1.00 0.00 C ATOM 344 O GLY A 32 9.286 -9.595 5.726 1.00 0.00 O ATOM 0 H GLY A 32 6.661 -7.922 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.423 -6.929 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.221 -6.640 5.766 1.00 0.00 H new ATOM 348 N VAL A 33 10.420 -8.594 4.081 1.00 0.00 N ATOM 349 CA VAL A 33 11.265 -9.708 3.783 1.00 0.00 C ATOM 350 C VAL A 33 12.127 -10.165 4.910 1.00 0.00 C ATOM 351 O VAL A 33 12.709 -11.248 4.874 1.00 0.00 O ATOM 352 CB VAL A 33 12.187 -9.458 2.627 1.00 0.00 C ATOM 353 CG1 VAL A 33 11.354 -9.210 1.359 1.00 0.00 C ATOM 354 CG2 VAL A 33 13.207 -8.338 2.894 1.00 0.00 C ATOM 0 H VAL A 33 10.622 -7.773 3.510 1.00 0.00 H new ATOM 0 HA VAL A 33 10.535 -10.483 3.548 1.00 0.00 H new ATOM 0 HB VAL A 33 12.796 -10.350 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.020 -9.028 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.737 -10.085 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.713 -8.341 1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.843 -8.209 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.679 -7.407 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.823 -8.604 3.753 1.00 0.00 H new ATOM 364 N ASN A 34 12.244 -9.326 5.956 1.00 0.00 N ATOM 365 CA ASN A 34 13.050 -9.546 7.117 1.00 0.00 C ATOM 366 C ASN A 34 12.640 -10.719 7.939 1.00 0.00 C ATOM 367 O ASN A 34 13.482 -11.522 8.339 1.00 0.00 O ATOM 368 CB ASN A 34 13.009 -8.250 7.944 1.00 0.00 C ATOM 369 CG ASN A 34 14.199 -8.117 8.885 1.00 0.00 C ATOM 370 OD1 ASN A 34 15.327 -7.901 8.447 1.00 0.00 O ATOM 371 ND2 ASN A 34 13.931 -8.210 10.215 1.00 0.00 N ATOM 0 H ASN A 34 11.743 -8.438 5.992 1.00 0.00 H new ATOM 0 HA ASN A 34 14.061 -9.790 6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.986 -7.394 7.270 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.087 -8.223 8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.683 -8.099 10.896 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.978 -8.391 10.532 1.00 0.00 H new ATOM 378 N THR A 35 11.338 -10.865 8.247 1.00 0.00 N ATOM 379 CA THR A 35 10.839 -11.914 9.081 1.00 0.00 C ATOM 380 C THR A 35 9.371 -12.060 8.867 1.00 0.00 C ATOM 381 O THR A 35 8.606 -11.129 9.113 1.00 0.00 O ATOM 382 CB THR A 35 11.090 -11.698 10.544 1.00 0.00 C ATOM 383 OG1 THR A 35 12.463 -11.901 10.842 1.00 0.00 O ATOM 384 CG2 THR A 35 10.341 -12.676 11.464 1.00 0.00 C ATOM 0 H THR A 35 10.612 -10.235 7.906 1.00 0.00 H new ATOM 0 HA THR A 35 11.381 -12.815 8.794 1.00 0.00 H new ATOM 0 HB THR A 35 10.745 -10.680 10.728 1.00 0.00 H new ATOM 0 HG1 THR A 35 12.980 -11.911 10.010 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.578 -12.451 12.504 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.267 -12.574 11.306 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.646 -13.697 11.235 1.00 0.00 H new ATOM 392 N SER A 36 8.936 -13.253 8.426 1.00 0.00 N ATOM 393 CA SER A 36 7.586 -13.726 8.438 1.00 0.00 C ATOM 394 C SER A 36 6.640 -13.050 7.507 1.00 0.00 C ATOM 395 O SER A 36 5.813 -12.232 7.909 1.00 0.00 O ATOM 396 CB SER A 36 6.993 -13.852 9.853 1.00 0.00 C ATOM 397 OG SER A 36 5.896 -14.752 9.896 1.00 0.00 O ATOM 0 H SER A 36 9.578 -13.939 8.031 1.00 0.00 H new ATOM 0 HA SER A 36 7.696 -14.731 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.767 -14.192 10.541 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.669 -12.870 10.198 1.00 0.00 H new ATOM 0 HG SER A 36 5.551 -14.804 10.812 1.00 0.00 H new ATOM 403 N VAL A 37 6.720 -13.399 6.210 1.00 0.00 N ATOM 404 CA VAL A 37 5.820 -13.006 5.171 1.00 0.00 C ATOM 405 C VAL A 37 5.538 -14.195 4.319 1.00 0.00 C ATOM 406 O VAL A 37 5.839 -15.333 4.678 1.00 0.00 O ATOM 407 CB VAL A 37 6.403 -11.894 4.350 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.300 -10.579 5.141 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.862 -12.173 3.950 1.00 0.00 C ATOM 0 H VAL A 37 7.469 -13.999 5.864 1.00 0.00 H new ATOM 0 HA VAL A 37 4.894 -12.635 5.610 1.00 0.00 H new ATOM 0 HB VAL A 37 5.834 -11.816 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.722 -9.765 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.253 -10.366 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.852 -10.673 6.076 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.242 -11.341 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.470 -12.286 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.909 -13.089 3.362 1.00 0.00 H new ATOM 419 N ARG A 38 4.965 -13.999 3.119 1.00 0.00 N ATOM 420 CA ARG A 38 4.974 -14.967 2.067 1.00 0.00 C ATOM 421 C ARG A 38 6.317 -14.979 1.420 1.00 0.00 C ATOM 422 O ARG A 38 7.029 -15.977 1.511 1.00 0.00 O ATOM 423 CB ARG A 38 3.832 -14.691 1.074 1.00 0.00 C ATOM 424 CG ARG A 38 3.697 -15.626 -0.130 1.00 0.00 C ATOM 425 CD ARG A 38 3.105 -17.008 0.152 1.00 0.00 C ATOM 426 NE ARG A 38 2.843 -17.624 -1.179 1.00 0.00 N ATOM 427 CZ ARG A 38 2.435 -18.915 -1.355 1.00 0.00 C ATOM 428 NH1 ARG A 38 2.116 -19.750 -0.324 1.00 0.00 N ATOM 429 NH2 ARG A 38 2.289 -19.431 -2.610 1.00 0.00 N ATOM 0 H ARG A 38 4.479 -13.137 2.872 1.00 0.00 H new ATOM 0 HA ARG A 38 4.795 -15.964 2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.893 -14.718 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.952 -13.675 0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.076 -15.133 -0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.684 -15.760 -0.572 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.797 -17.617 0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.186 -16.927 0.732 1.00 0.00 H new ATOM 0 HE ARG A 38 2.977 -17.046 -2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.177 -19.418 0.639 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.817 -20.706 -0.516 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.485 -18.851 -3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.984 -20.397 -2.732 1.00 0.00 H new ATOM 443 N HIS A 39 6.753 -13.875 0.789 1.00 0.00 N ATOM 444 CA HIS A 39 8.078 -13.770 0.261 1.00 0.00 C ATOM 445 C HIS A 39 8.589 -12.383 0.075 1.00 0.00 C ATOM 446 O HIS A 39 9.788 -12.183 -0.117 1.00 0.00 O ATOM 447 CB HIS A 39 8.215 -14.515 -1.077 1.00 0.00 C ATOM 448 CG HIS A 39 8.780 -15.896 -0.919 1.00 0.00 C ATOM 449 ND1 HIS A 39 8.160 -16.992 -1.482 1.00 0.00 N ATOM 450 CD2 HIS A 39 9.965 -16.256 -0.356 1.00 0.00 C ATOM 451 CE1 HIS A 39 8.969 -18.007 -1.239 1.00 0.00 C ATOM 452 NE2 HIS A 39 10.081 -17.615 -0.562 1.00 0.00 N ATOM 0 H HIS A 39 6.179 -13.044 0.643 1.00 0.00 H new ATOM 0 HA HIS A 39 8.690 -14.232 1.036 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.237 -14.580 -1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 39 8.856 -13.939 -1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.669 -15.611 0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.771 -19.025 -1.541 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.853 -18.211 -0.264 1.00 0.00 H new ATOM 460 N GLY A 40 7.744 -11.337 0.103 1.00 0.00 N ATOM 461 CA GLY A 40 8.181 -10.006 -0.191 1.00 0.00 C ATOM 462 C GLY A 40 7.050 -9.082 -0.488 1.00 0.00 C ATOM 463 O GLY A 40 6.584 -8.974 -1.621 1.00 0.00 O ATOM 0 H GLY A 40 6.753 -11.413 0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.748 -9.619 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.859 -10.031 -1.044 1.00 0.00 H new ATOM 467 N GLY A 41 6.592 -8.361 0.550 1.00 0.00 N ATOM 468 CA GLY A 41 5.586 -7.349 0.468 1.00 0.00 C ATOM 469 C GLY A 41 5.625 -6.653 1.786 1.00 0.00 C ATOM 470 O GLY A 41 6.410 -7.035 2.651 1.00 0.00 O ATOM 0 H GLY A 41 6.943 -8.492 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.789 -6.657 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.604 -7.784 0.281 1.00 0.00 H new ATOM 474 N ILE A 42 4.794 -5.617 1.998 1.00 0.00 N ATOM 475 CA ILE A 42 4.569 -5.080 3.304 1.00 0.00 C ATOM 476 C ILE A 42 3.112 -5.275 3.549 1.00 0.00 C ATOM 477 O ILE A 42 2.340 -5.531 2.626 1.00 0.00 O ATOM 478 CB ILE A 42 5.141 -3.715 3.551 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.564 -3.507 5.014 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.240 -2.524 3.184 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.838 -4.247 5.420 1.00 0.00 C ATOM 0 H ILE A 42 4.273 -5.147 1.257 1.00 0.00 H new ATOM 0 HA ILE A 42 5.142 -5.607 4.067 1.00 0.00 H new ATOM 0 HB ILE A 42 5.995 -3.715 2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.708 -2.441 5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.750 -3.829 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.760 -1.592 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.002 -2.562 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.318 -2.573 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.060 -4.042 6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.696 -5.319 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.668 -3.909 4.800 1.00 0.00 H new ATOM 493 N TYR A 43 2.657 -5.293 4.815 1.00 0.00 N ATOM 494 CA TYR A 43 1.314 -5.675 5.129 1.00 0.00 C ATOM 495 C TYR A 43 0.848 -4.652 6.108 1.00 0.00 C ATOM 496 O TYR A 43 1.664 -3.985 6.740 1.00 0.00 O ATOM 497 CB TYR A 43 1.281 -7.052 5.813 1.00 0.00 C ATOM 498 CG TYR A 43 1.710 -8.175 4.931 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.026 -8.366 4.580 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.774 -9.086 4.502 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.388 -9.389 3.735 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.139 -10.152 3.714 1.00 0.00 C ATOM 503 CZ TYR A 43 2.445 -10.294 3.309 1.00 0.00 C ATOM 504 OH TYR A 43 2.826 -11.355 2.458 1.00 0.00 O ATOM 0 H TYR A 43 3.223 -5.042 5.626 1.00 0.00 H new ATOM 0 HA TYR A 43 0.699 -5.734 4.231 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.926 -7.026 6.691 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.269 -7.247 6.167 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.784 -7.705 4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.260 -8.963 4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.413 -9.481 3.406 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.399 -10.879 3.413 1.00 0.00 H new ATOM 0 HH TYR A 43 2.042 -11.905 2.250 1.00 0.00 H new ATOM 514 N VAL A 44 -0.470 -4.444 6.274 1.00 0.00 N ATOM 515 CA VAL A 44 -0.957 -3.508 7.240 1.00 0.00 C ATOM 516 C VAL A 44 -1.101 -4.154 8.574 1.00 0.00 C ATOM 517 O VAL A 44 -1.567 -5.286 8.701 1.00 0.00 O ATOM 518 CB VAL A 44 -2.293 -2.936 6.870 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.544 -1.696 7.744 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.358 -2.541 5.384 1.00 0.00 C ATOM 0 H VAL A 44 -1.197 -4.922 5.741 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.221 -2.704 7.270 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.057 -3.695 7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.512 -1.263 7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.539 -1.985 8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.760 -0.960 7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.343 -2.131 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.596 -1.791 5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.181 -3.421 4.766 1.00 0.00 H new ATOM 530 N LYS A 45 -0.713 -3.450 9.653 1.00 0.00 N ATOM 531 CA LYS A 45 -1.023 -3.836 10.994 1.00 0.00 C ATOM 532 C LYS A 45 -2.159 -3.019 11.509 1.00 0.00 C ATOM 533 O LYS A 45 -3.281 -3.507 11.636 1.00 0.00 O ATOM 534 CB LYS A 45 0.211 -3.749 11.907 1.00 0.00 C ATOM 535 CG LYS A 45 0.301 -4.889 12.924 1.00 0.00 C ATOM 536 CD LYS A 45 -0.765 -4.865 14.022 1.00 0.00 C ATOM 537 CE LYS A 45 -0.910 -6.206 14.741 1.00 0.00 C ATOM 538 NZ LYS A 45 -1.564 -7.194 13.853 1.00 0.00 N ATOM 0 H LYS A 45 -0.169 -2.589 9.591 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.331 -4.882 10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.110 -3.751 11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.192 -2.798 12.440 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.230 -5.837 12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.284 -4.860 13.393 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.512 -4.094 14.750 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.724 -4.588 13.584 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.071 -6.572 15.045 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.498 -6.078 15.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.901 -7.999 14.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.370 -6.747 13.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.880 -7.530 13.145 1.00 0.00 H new ATOM 552 N ALA A 46 -1.916 -1.738 11.836 1.00 0.00 N ATOM 553 CA ALA A 46 -2.886 -0.872 12.430 1.00 0.00 C ATOM 554 C ALA A 46 -3.378 0.146 11.459 1.00 0.00 C ATOM 555 O ALA A 46 -2.615 0.904 10.863 1.00 0.00 O ATOM 556 CB ALA A 46 -2.337 -0.198 13.698 1.00 0.00 C ATOM 0 H ALA A 46 -1.013 -1.289 11.682 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.734 -1.492 12.721 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.100 0.453 14.124 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.064 -0.961 14.427 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.457 0.393 13.444 1.00 0.00 H new ATOM 562 N ILE A 47 -4.712 0.187 11.286 1.00 0.00 N ATOM 563 CA ILE A 47 -5.437 1.156 10.524 1.00 0.00 C ATOM 564 C ILE A 47 -5.806 2.286 11.422 1.00 0.00 C ATOM 565 O ILE A 47 -6.278 2.092 12.541 1.00 0.00 O ATOM 566 CB ILE A 47 -6.673 0.544 9.937 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.364 -0.627 8.988 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.525 1.575 9.178 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.560 -0.237 7.748 1.00 0.00 C ATOM 0 H ILE A 47 -5.327 -0.508 11.710 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.815 1.516 9.705 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.234 0.166 10.792 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.813 -1.390 9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.303 -1.079 8.670 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.410 1.086 8.770 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.831 2.368 9.861 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.939 2.003 8.364 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.386 -1.121 7.134 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.116 0.502 7.171 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.603 0.186 8.053 1.00 0.00 H new ATOM 581 N ILE A 48 -5.601 3.539 10.977 1.00 0.00 N ATOM 582 CA ILE A 48 -6.088 4.699 11.657 1.00 0.00 C ATOM 583 C ILE A 48 -7.531 4.898 11.344 1.00 0.00 C ATOM 584 O ILE A 48 -7.852 4.759 10.165 1.00 0.00 O ATOM 585 CB ILE A 48 -5.341 5.917 11.202 1.00 0.00 C ATOM 586 CG1 ILE A 48 -3.862 5.806 11.608 1.00 0.00 C ATOM 587 CG2 ILE A 48 -5.952 7.231 11.718 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.077 7.017 11.105 1.00 0.00 C ATOM 0 H ILE A 48 -5.084 3.751 10.124 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.947 4.553 12.728 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.421 5.953 10.116 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.781 5.737 12.693 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.434 4.891 11.198 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.365 8.073 11.353 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.977 7.321 11.359 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.948 7.231 12.808 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.032 6.922 11.401 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.143 7.067 10.018 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.495 7.926 11.536 1.00 0.00 H new ATOM 600 N PRO A 49 -8.425 5.211 12.232 1.00 0.00 N ATOM 601 CA PRO A 49 -9.764 5.598 11.895 1.00 0.00 C ATOM 602 C PRO A 49 -9.816 6.815 11.036 1.00 0.00 C ATOM 603 O PRO A 49 -9.519 7.914 11.501 1.00 0.00 O ATOM 604 CB PRO A 49 -10.480 5.793 13.231 1.00 0.00 C ATOM 605 CG PRO A 49 -9.350 6.092 14.229 1.00 0.00 C ATOM 606 CD PRO A 49 -8.195 5.247 13.669 1.00 0.00 C ATOM 0 HA PRO A 49 -10.252 4.833 11.291 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.195 6.614 13.183 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.037 4.901 13.517 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.102 7.153 14.258 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.615 5.798 15.245 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.228 5.693 13.904 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.196 4.244 14.095 1.00 0.00 H new ATOM 614 N LYS A 50 -10.151 6.628 9.747 1.00 0.00 N ATOM 615 CA LYS A 50 -10.111 7.561 8.664 1.00 0.00 C ATOM 616 C LYS A 50 -9.070 8.628 8.667 1.00 0.00 C ATOM 617 O LYS A 50 -9.361 9.809 8.847 1.00 0.00 O ATOM 618 CB LYS A 50 -11.496 8.137 8.327 1.00 0.00 C ATOM 619 CG LYS A 50 -12.534 7.063 7.994 1.00 0.00 C ATOM 620 CD LYS A 50 -13.759 7.659 7.297 1.00 0.00 C ATOM 621 CE LYS A 50 -14.860 6.645 6.977 1.00 0.00 C ATOM 622 NZ LYS A 50 -15.911 7.296 6.164 1.00 0.00 N ATOM 0 H LYS A 50 -10.488 5.718 9.432 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.768 6.909 7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.852 8.727 9.172 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.403 8.817 7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.082 6.306 7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.845 6.560 8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.176 8.443 7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.439 8.134 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.441 5.796 6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.289 6.255 7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.659 6.607 5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.318 8.092 6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.496 7.648 5.277 1.00 0.00 H new ATOM 636 N GLY A 51 -7.808 8.253 8.396 1.00 0.00 N ATOM 637 CA GLY A 51 -6.775 9.181 8.058 1.00 0.00 C ATOM 638 C GLY A 51 -6.869 9.556 6.619 1.00 0.00 C ATOM 639 O GLY A 51 -7.364 10.625 6.265 1.00 0.00 O ATOM 0 H GLY A 51 -7.498 7.281 8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.860 10.072 8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.799 8.741 8.263 1.00 0.00 H new ATOM 643 N ALA A 52 -6.414 8.656 5.729 1.00 0.00 N ATOM 644 CA ALA A 52 -6.663 8.713 4.322 1.00 0.00 C ATOM 645 C ALA A 52 -6.964 7.347 3.811 1.00 0.00 C ATOM 646 O ALA A 52 -7.914 7.131 3.058 1.00 0.00 O ATOM 647 CB ALA A 52 -5.473 9.345 3.581 1.00 0.00 C ATOM 0 H ALA A 52 -5.847 7.853 6.002 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.530 9.348 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.686 9.378 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.311 10.358 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.578 8.748 3.755 1.00 0.00 H new ATOM 653 N ALA A 53 -6.164 6.349 4.226 1.00 0.00 N ATOM 654 CA ALA A 53 -6.201 4.990 3.782 1.00 0.00 C ATOM 655 C ALA A 53 -7.386 4.178 4.181 1.00 0.00 C ATOM 656 O ALA A 53 -7.970 3.513 3.328 1.00 0.00 O ATOM 657 CB ALA A 53 -4.920 4.281 4.255 1.00 0.00 C ATOM 0 H ALA A 53 -5.437 6.505 4.924 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.279 5.058 2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.935 3.243 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.049 4.784 3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.867 4.313 5.343 1.00 0.00 H new ATOM 663 N GLU A 54 -7.843 4.205 5.446 1.00 0.00 N ATOM 664 CA GLU A 54 -9.033 3.525 5.852 1.00 0.00 C ATOM 665 C GLU A 54 -10.215 3.943 5.047 1.00 0.00 C ATOM 666 O GLU A 54 -11.091 3.157 4.688 1.00 0.00 O ATOM 667 CB GLU A 54 -9.427 3.795 7.315 1.00 0.00 C ATOM 668 CG GLU A 54 -10.617 2.951 7.775 1.00 0.00 C ATOM 669 CD GLU A 54 -11.020 3.191 9.223 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.650 4.251 9.484 1.00 0.00 O ATOM 671 OE2 GLU A 54 -10.769 2.322 10.100 1.00 0.00 O ATOM 0 H GLU A 54 -7.377 4.709 6.201 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.788 2.473 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.572 3.591 7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.670 4.851 7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.470 3.162 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.374 1.896 7.646 1.00 0.00 H new ATOM 678 N SER A 55 -10.208 5.245 4.711 1.00 0.00 N ATOM 679 CA SER A 55 -11.232 5.893 3.950 1.00 0.00 C ATOM 680 C SER A 55 -11.303 5.545 2.503 1.00 0.00 C ATOM 681 O SER A 55 -12.170 6.072 1.809 1.00 0.00 O ATOM 682 CB SER A 55 -11.122 7.420 4.097 1.00 0.00 C ATOM 683 OG SER A 55 -12.359 8.087 3.895 1.00 0.00 O ATOM 0 H SER A 55 -9.454 5.876 4.982 1.00 0.00 H new ATOM 0 HA SER A 55 -12.157 5.510 4.380 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.746 7.658 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.391 7.797 3.381 1.00 0.00 H new ATOM 0 HG SER A 55 -12.816 7.701 3.118 1.00 0.00 H new ATOM 689 N ASP A 56 -10.482 4.622 1.972 1.00 0.00 N ATOM 690 CA ASP A 56 -10.739 3.940 0.742 1.00 0.00 C ATOM 691 C ASP A 56 -12.000 3.158 0.880 1.00 0.00 C ATOM 692 O ASP A 56 -13.106 3.635 0.630 1.00 0.00 O ATOM 693 CB ASP A 56 -9.540 3.044 0.385 1.00 0.00 C ATOM 694 CG ASP A 56 -9.803 2.075 -0.759 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.092 2.526 -1.899 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.834 0.846 -0.485 1.00 0.00 O ATOM 0 H ASP A 56 -9.608 4.340 2.415 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.866 4.652 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.693 3.678 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.250 2.475 1.269 1.00 0.00 H new ATOM 701 N GLY A 57 -11.885 1.894 1.323 1.00 0.00 N ATOM 702 CA GLY A 57 -13.049 1.112 1.603 1.00 0.00 C ATOM 703 C GLY A 57 -12.710 -0.314 1.867 1.00 0.00 C ATOM 704 O GLY A 57 -13.277 -0.943 2.759 1.00 0.00 O ATOM 0 H GLY A 57 -10.998 1.418 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.567 1.528 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.738 1.171 0.760 1.00 0.00 H new ATOM 708 N ARG A 58 -11.779 -0.884 1.080 1.00 0.00 N ATOM 709 CA ARG A 58 -11.449 -2.273 1.165 1.00 0.00 C ATOM 710 C ARG A 58 -10.437 -2.582 2.214 1.00 0.00 C ATOM 711 O ARG A 58 -10.436 -3.686 2.756 1.00 0.00 O ATOM 712 CB ARG A 58 -11.015 -2.799 -0.213 1.00 0.00 C ATOM 713 CG ARG A 58 -12.197 -3.118 -1.131 1.00 0.00 C ATOM 714 CD ARG A 58 -11.827 -3.874 -2.410 1.00 0.00 C ATOM 715 NE ARG A 58 -11.576 -2.878 -3.490 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.679 -3.185 -4.816 1.00 0.00 C ATOM 717 NH1 ARG A 58 -11.790 -4.471 -5.262 1.00 0.00 N ATOM 718 NH2 ARG A 58 -11.617 -2.194 -5.752 1.00 0.00 N ATOM 0 H ARG A 58 -11.248 -0.373 0.375 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.354 -2.795 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.378 -2.057 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.413 -3.698 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.924 -3.709 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.688 -2.185 -1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.940 -4.486 -2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.632 -4.550 -2.697 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.316 -1.927 -3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.798 -5.243 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.865 -4.659 -6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.494 -1.224 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.694 -2.423 -6.743 1.00 0.00 H new ATOM 732 N ILE A 59 -9.557 -1.630 2.575 1.00 0.00 N ATOM 733 CA ILE A 59 -8.515 -1.795 3.539 1.00 0.00 C ATOM 734 C ILE A 59 -8.990 -2.024 4.933 1.00 0.00 C ATOM 735 O ILE A 59 -9.815 -1.281 5.464 1.00 0.00 O ATOM 736 CB ILE A 59 -7.564 -0.635 3.537 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.219 -0.180 2.110 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.278 -1.052 4.270 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.174 0.933 2.045 1.00 0.00 C ATOM 0 H ILE A 59 -9.575 -0.694 2.171 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.004 -2.703 3.219 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.042 0.204 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.856 -1.038 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.130 0.163 1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.576 -0.218 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.518 -1.332 5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.827 -1.902 3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.987 1.196 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.541 1.809 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.247 0.589 2.504 1.00 0.00 H new ATOM 751 N HIS A 60 -8.463 -3.082 5.574 1.00 0.00 N ATOM 752 CA HIS A 60 -8.614 -3.405 6.958 1.00 0.00 C ATOM 753 C HIS A 60 -7.297 -3.749 7.565 1.00 0.00 C ATOM 754 O HIS A 60 -6.256 -3.767 6.910 1.00 0.00 O ATOM 755 CB HIS A 60 -9.577 -4.590 7.135 1.00 0.00 C ATOM 756 CG HIS A 60 -11.029 -4.212 7.143 1.00 0.00 C ATOM 757 ND1 HIS A 60 -11.970 -5.210 6.985 1.00 0.00 N ATOM 758 CD2 HIS A 60 -11.629 -3.052 7.518 1.00 0.00 C ATOM 759 CE1 HIS A 60 -13.129 -4.649 7.272 1.00 0.00 C ATOM 760 NE2 HIS A 60 -12.976 -3.339 7.602 1.00 0.00 N ATOM 0 H HIS A 60 -7.886 -3.765 5.084 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.024 -2.529 7.461 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.405 -5.306 6.331 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.341 -5.098 8.070 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.151 -2.103 7.710 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -14.078 -5.164 7.248 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.718 -2.690 7.863 1.00 0.00 H new ATOM 768 N LYS A 61 -7.278 -4.030 8.880 1.00 0.00 N ATOM 769 CA LYS A 61 -6.125 -4.445 9.618 1.00 0.00 C ATOM 770 C LYS A 61 -5.680 -5.829 9.294 1.00 0.00 C ATOM 771 O LYS A 61 -5.900 -6.769 10.056 1.00 0.00 O ATOM 772 CB LYS A 61 -6.365 -4.368 11.136 1.00 0.00 C ATOM 773 CG LYS A 61 -6.568 -2.951 11.677 1.00 0.00 C ATOM 774 CD LYS A 61 -6.626 -2.875 13.203 1.00 0.00 C ATOM 775 CE LYS A 61 -7.464 -1.697 13.706 1.00 0.00 C ATOM 776 NZ LYS A 61 -7.435 -1.626 15.184 1.00 0.00 N ATOM 0 H LYS A 61 -8.114 -3.964 9.460 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.341 -3.749 9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.242 -4.966 11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.516 -4.820 11.648 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.756 -2.317 11.322 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.493 -2.545 11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.042 -3.804 13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.613 -2.789 13.597 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.082 -0.767 13.285 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.493 -1.804 13.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.009 -0.820 15.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.821 -2.506 15.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.454 -1.502 15.506 1.00 0.00 H new ATOM 790 N GLY A 62 -5.008 -6.007 8.143 1.00 0.00 N ATOM 791 CA GLY A 62 -4.354 -7.233 7.806 1.00 0.00 C ATOM 792 C GLY A 62 -4.273 -7.552 6.352 1.00 0.00 C ATOM 793 O GLY A 62 -4.048 -8.708 5.999 1.00 0.00 O ATOM 0 H GLY A 62 -4.917 -5.283 7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.341 -7.204 8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.874 -8.049 8.308 1.00 0.00 H new ATOM 797 N ASP A 63 -4.435 -6.564 5.454 1.00 0.00 N ATOM 798 CA ASP A 63 -4.277 -6.756 4.045 1.00 0.00 C ATOM 799 C ASP A 63 -2.857 -6.618 3.615 1.00 0.00 C ATOM 800 O ASP A 63 -1.998 -6.119 4.339 1.00 0.00 O ATOM 801 CB ASP A 63 -5.158 -5.769 3.261 1.00 0.00 C ATOM 802 CG ASP A 63 -6.624 -5.972 3.614 1.00 0.00 C ATOM 803 OD1 ASP A 63 -7.149 -7.113 3.511 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.287 -4.971 3.996 1.00 0.00 O ATOM 0 H ASP A 63 -4.682 -5.609 5.713 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.594 -7.776 3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.861 -4.746 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.012 -5.912 2.190 1.00 0.00 H new ATOM 809 N ARG A 64 -2.545 -7.077 2.390 1.00 0.00 N ATOM 810 CA ARG A 64 -1.214 -7.186 1.876 1.00 0.00 C ATOM 811 C ARG A 64 -0.974 -6.162 0.822 1.00 0.00 C ATOM 812 O ARG A 64 -1.651 -6.159 -0.205 1.00 0.00 O ATOM 813 CB ARG A 64 -1.036 -8.599 1.297 1.00 0.00 C ATOM 814 CG ARG A 64 0.309 -8.933 0.649 1.00 0.00 C ATOM 815 CD ARG A 64 0.371 -8.714 -0.863 1.00 0.00 C ATOM 816 NE ARG A 64 1.580 -9.409 -1.391 1.00 0.00 N ATOM 817 CZ ARG A 64 1.643 -10.757 -1.593 1.00 0.00 C ATOM 818 NH1 ARG A 64 0.578 -11.600 -1.453 1.00 0.00 N ATOM 819 NH2 ARG A 64 2.808 -11.299 -2.054 1.00 0.00 N ATOM 0 H ARG A 64 -3.254 -7.387 1.726 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.494 -7.015 2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.210 -9.316 2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.817 -8.758 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.083 -8.327 1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.548 -9.975 0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.529 -9.103 -1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.416 -7.649 -1.090 1.00 0.00 H new ATOM 0 HE ARG A 64 2.402 -8.848 -1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.333 -11.230 -1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.694 -12.600 -1.619 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.611 -10.698 -2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.875 -12.305 -2.211 1.00 0.00 H new ATOM 833 N VAL A 65 0.014 -5.264 0.983 1.00 0.00 N ATOM 834 CA VAL A 65 0.415 -4.373 -0.062 1.00 0.00 C ATOM 835 C VAL A 65 1.583 -4.925 -0.804 1.00 0.00 C ATOM 836 O VAL A 65 2.633 -5.265 -0.258 1.00 0.00 O ATOM 837 CB VAL A 65 0.568 -2.944 0.365 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.536 -2.849 1.557 1.00 0.00 C ATOM 839 CG2 VAL A 65 1.032 -2.023 -0.776 1.00 0.00 C ATOM 0 H VAL A 65 0.542 -5.154 1.849 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.413 -4.318 -0.769 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.420 -2.595 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.640 -1.807 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.144 -3.431 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.511 -3.241 1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.124 -1.002 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.999 -2.363 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.302 -2.050 -1.585 1.00 0.00 H new ATOM 849 N LEU A 66 1.422 -5.092 -2.128 1.00 0.00 N ATOM 850 CA LEU A 66 2.425 -5.616 -3.003 1.00 0.00 C ATOM 851 C LEU A 66 3.207 -4.524 -3.648 1.00 0.00 C ATOM 852 O LEU A 66 4.416 -4.656 -3.827 1.00 0.00 O ATOM 853 CB LEU A 66 1.843 -6.599 -4.032 1.00 0.00 C ATOM 854 CG LEU A 66 0.530 -6.228 -4.743 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.504 -6.869 -6.141 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.695 -6.706 -3.945 1.00 0.00 C ATOM 0 H LEU A 66 0.556 -4.852 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 66 3.119 -6.191 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.600 -6.762 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.689 -7.553 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 66 0.485 -5.142 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.426 -6.606 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.349 -6.503 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.571 -7.953 -6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.606 -6.428 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.657 -7.790 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.692 -6.240 -2.960 1.00 0.00 H new ATOM 868 N ALA A 67 2.575 -3.390 -3.998 1.00 0.00 N ATOM 869 CA ALA A 67 3.297 -2.334 -4.638 1.00 0.00 C ATOM 870 C ALA A 67 2.812 -0.979 -4.253 1.00 0.00 C ATOM 871 O ALA A 67 1.671 -0.800 -3.830 1.00 0.00 O ATOM 872 CB ALA A 67 3.257 -2.496 -6.167 1.00 0.00 C ATOM 0 H ALA A 67 1.584 -3.205 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 67 4.327 -2.413 -4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.812 -1.682 -6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.708 -3.449 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.222 -2.472 -6.508 1.00 0.00 H new ATOM 878 N VAL A 68 3.681 0.040 -4.373 1.00 0.00 N ATOM 879 CA VAL A 68 3.365 1.392 -4.028 1.00 0.00 C ATOM 880 C VAL A 68 3.756 2.337 -5.110 1.00 0.00 C ATOM 881 O VAL A 68 4.934 2.437 -5.451 1.00 0.00 O ATOM 882 CB VAL A 68 4.023 1.852 -2.761 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.477 3.242 -2.397 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.742 0.853 -1.624 1.00 0.00 C ATOM 0 H VAL A 68 4.632 -0.080 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 68 2.285 1.396 -3.884 1.00 0.00 H new ATOM 0 HB VAL A 68 5.102 1.909 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.948 3.588 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.697 3.942 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.398 3.183 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.225 1.197 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.667 0.780 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.135 -0.127 -1.895 1.00 0.00 H new ATOM 894 N ASN A 69 2.807 3.076 -5.713 1.00 0.00 N ATOM 895 CA ASN A 69 3.008 3.895 -6.868 1.00 0.00 C ATOM 896 C ASN A 69 3.516 3.126 -8.039 1.00 0.00 C ATOM 897 O ASN A 69 4.271 3.620 -8.873 1.00 0.00 O ATOM 898 CB ASN A 69 3.831 5.146 -6.516 1.00 0.00 C ATOM 899 CG ASN A 69 3.436 6.348 -7.361 1.00 0.00 C ATOM 900 OD1 ASN A 69 3.190 6.251 -8.562 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.377 7.547 -6.723 1.00 0.00 N ATOM 0 H ASN A 69 1.845 3.103 -5.375 1.00 0.00 H new ATOM 0 HA ASN A 69 2.036 4.259 -7.199 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.694 5.384 -5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.891 4.935 -6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.125 8.389 -7.241 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.585 7.605 -5.726 1.00 0.00 H new ATOM 908 N GLY A 70 3.140 1.838 -8.138 1.00 0.00 N ATOM 909 CA GLY A 70 3.647 0.939 -9.128 1.00 0.00 C ATOM 910 C GLY A 70 5.048 0.491 -8.888 1.00 0.00 C ATOM 911 O GLY A 70 5.733 0.051 -9.810 1.00 0.00 O ATOM 0 H GLY A 70 2.461 1.409 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.000 0.063 -9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.595 1.423 -10.103 1.00 0.00 H new ATOM 915 N VAL A 71 5.531 0.598 -7.637 1.00 0.00 N ATOM 916 CA VAL A 71 6.825 0.165 -7.207 1.00 0.00 C ATOM 917 C VAL A 71 6.630 -0.952 -6.242 1.00 0.00 C ATOM 918 O VAL A 71 6.221 -0.763 -5.097 1.00 0.00 O ATOM 919 CB VAL A 71 7.660 1.222 -6.549 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.068 0.687 -6.239 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.758 2.448 -7.473 1.00 0.00 C ATOM 0 H VAL A 71 4.985 1.012 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 71 7.371 -0.129 -8.104 1.00 0.00 H new ATOM 0 HB VAL A 71 7.187 1.509 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.658 1.470 -5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.992 -0.170 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.553 0.381 -7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.365 3.217 -6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.219 2.156 -8.417 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.759 2.841 -7.663 1.00 0.00 H new ATOM 931 N SER A 72 6.892 -2.194 -6.688 1.00 0.00 N ATOM 932 CA SER A 72 6.802 -3.379 -5.892 1.00 0.00 C ATOM 933 C SER A 72 7.764 -3.447 -4.757 1.00 0.00 C ATOM 934 O SER A 72 8.911 -3.010 -4.833 1.00 0.00 O ATOM 935 CB SER A 72 6.944 -4.658 -6.734 1.00 0.00 C ATOM 936 OG SER A 72 8.176 -4.684 -7.440 1.00 0.00 O ATOM 0 H SER A 72 7.180 -2.380 -7.649 1.00 0.00 H new ATOM 0 HA SER A 72 5.801 -3.318 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.877 -5.531 -6.085 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.117 -4.723 -7.441 1.00 0.00 H new ATOM 0 HG SER A 72 8.236 -5.510 -7.964 1.00 0.00 H new ATOM 942 N LEU A 73 7.324 -4.040 -3.632 1.00 0.00 N ATOM 943 CA LEU A 73 8.072 -4.166 -2.419 1.00 0.00 C ATOM 944 C LEU A 73 8.947 -5.372 -2.403 1.00 0.00 C ATOM 945 O LEU A 73 9.129 -6.040 -1.387 1.00 0.00 O ATOM 946 CB LEU A 73 7.065 -4.173 -1.257 1.00 0.00 C ATOM 947 CG LEU A 73 6.443 -2.794 -0.981 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.016 -2.931 -0.422 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.289 -1.984 0.016 1.00 0.00 C ATOM 0 H LEU A 73 6.394 -4.454 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 73 8.757 -3.324 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.270 -4.884 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.565 -4.525 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 73 6.412 -2.268 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.601 -1.940 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.391 -3.456 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.043 -3.494 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.820 -1.015 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.358 -2.526 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.289 -1.836 -0.392 1.00 0.00 H new ATOM 961 N GLU A 74 9.592 -5.685 -3.541 1.00 0.00 N ATOM 962 CA GLU A 74 10.484 -6.792 -3.699 1.00 0.00 C ATOM 963 C GLU A 74 11.785 -6.541 -3.016 1.00 0.00 C ATOM 964 O GLU A 74 12.493 -5.582 -3.316 1.00 0.00 O ATOM 965 CB GLU A 74 10.736 -7.094 -5.186 1.00 0.00 C ATOM 966 CG GLU A 74 11.448 -8.424 -5.437 1.00 0.00 C ATOM 967 CD GLU A 74 11.700 -8.684 -6.915 1.00 0.00 C ATOM 968 OE1 GLU A 74 10.728 -8.840 -7.701 1.00 0.00 O ATOM 969 OE2 GLU A 74 12.892 -8.787 -7.311 1.00 0.00 O ATOM 0 H GLU A 74 9.486 -5.137 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 74 10.006 -7.656 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.781 -7.099 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.332 -6.288 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.399 -8.429 -4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.848 -9.236 -5.026 1.00 0.00 H new ATOM 976 N GLY A 75 12.134 -7.377 -2.023 1.00 0.00 N ATOM 977 CA GLY A 75 13.297 -7.184 -1.214 1.00 0.00 C ATOM 978 C GLY A 75 13.127 -6.216 -0.094 1.00 0.00 C ATOM 979 O GLY A 75 14.065 -5.977 0.664 1.00 0.00 O ATOM 0 H GLY A 75 11.595 -8.207 -1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.598 -8.147 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.112 -6.841 -1.851 1.00 0.00 H new ATOM 983 N ALA A 76 11.940 -5.607 0.074 1.00 0.00 N ATOM 984 CA ALA A 76 11.737 -4.597 1.066 1.00 0.00 C ATOM 985 C ALA A 76 11.376 -5.149 2.403 1.00 0.00 C ATOM 986 O ALA A 76 10.632 -6.115 2.565 1.00 0.00 O ATOM 987 CB ALA A 76 10.750 -3.514 0.603 1.00 0.00 C ATOM 0 H ALA A 76 11.112 -5.817 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 76 12.705 -4.112 1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.630 -2.771 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.135 -3.031 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.785 -3.971 0.385 1.00 0.00 H new ATOM 993 N THR A 77 11.932 -4.524 3.457 1.00 0.00 N ATOM 994 CA THR A 77 11.811 -4.847 4.844 1.00 0.00 C ATOM 995 C THR A 77 11.140 -3.649 5.422 1.00 0.00 C ATOM 996 O THR A 77 10.775 -2.740 4.677 1.00 0.00 O ATOM 997 CB THR A 77 13.135 -5.174 5.467 1.00 0.00 C ATOM 998 OG1 THR A 77 13.178 -5.084 6.883 1.00 0.00 O ATOM 999 CG2 THR A 77 14.270 -4.291 4.916 1.00 0.00 C ATOM 0 H THR A 77 12.528 -3.708 3.319 1.00 0.00 H new ATOM 0 HA THR A 77 11.234 -5.753 5.030 1.00 0.00 H new ATOM 0 HB THR A 77 13.277 -6.219 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.077 -5.315 7.198 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.209 -4.564 5.396 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.356 -4.439 3.840 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.049 -3.244 5.121 1.00 0.00 H new ATOM 1007 N HIS A 78 10.962 -3.542 6.751 1.00 0.00 N ATOM 1008 CA HIS A 78 10.373 -2.446 7.457 1.00 0.00 C ATOM 1009 C HIS A 78 10.852 -1.100 7.036 1.00 0.00 C ATOM 1010 O HIS A 78 10.043 -0.221 6.742 1.00 0.00 O ATOM 1011 CB HIS A 78 10.615 -2.586 8.970 1.00 0.00 C ATOM 1012 CG HIS A 78 10.133 -1.462 9.838 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.650 -1.276 11.092 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.204 -0.487 9.655 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.063 -0.236 11.656 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.178 0.252 10.807 1.00 0.00 N ATOM 0 H HIS A 78 11.256 -4.286 7.384 1.00 0.00 H new ATOM 0 HA HIS A 78 9.313 -2.501 7.210 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.136 -3.505 9.307 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.686 -2.706 9.133 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.375 -1.850 11.523 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.603 -0.326 8.772 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.271 0.149 12.643 1.00 0.00 H new ATOM 1025 N LYS A 79 12.179 -0.887 6.979 1.00 0.00 N ATOM 1026 CA LYS A 79 12.769 0.378 6.665 1.00 0.00 C ATOM 1027 C LYS A 79 12.571 0.759 5.239 1.00 0.00 C ATOM 1028 O LYS A 79 12.208 1.894 4.934 1.00 0.00 O ATOM 1029 CB LYS A 79 14.274 0.377 6.986 1.00 0.00 C ATOM 1030 CG LYS A 79 14.636 0.724 8.430 1.00 0.00 C ATOM 1031 CD LYS A 79 14.040 -0.201 9.493 1.00 0.00 C ATOM 1032 CE LYS A 79 14.576 0.037 10.907 1.00 0.00 C ATOM 1033 NZ LYS A 79 16.000 -0.361 10.987 1.00 0.00 N ATOM 0 H LYS A 79 12.865 -1.620 7.158 1.00 0.00 H new ATOM 0 HA LYS A 79 12.261 1.116 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.677 -0.609 6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.770 1.087 6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.721 0.712 8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.309 1.744 8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.957 -0.075 9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.239 -1.235 9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.469 1.089 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.990 -0.534 11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.297 -0.390 11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.122 -1.302 10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.583 0.329 10.472 1.00 0.00 H new ATOM 1047 N GLN A 80 12.770 -0.181 4.298 1.00 0.00 N ATOM 1048 CA GLN A 80 12.570 0.077 2.905 1.00 0.00 C ATOM 1049 C GLN A 80 11.132 0.255 2.560 1.00 0.00 C ATOM 1050 O GLN A 80 10.795 1.108 1.740 1.00 0.00 O ATOM 1051 CB GLN A 80 13.157 -1.013 1.993 1.00 0.00 C ATOM 1052 CG GLN A 80 14.611 -1.371 2.314 1.00 0.00 C ATOM 1053 CD GLN A 80 15.469 -1.581 1.074 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.934 -2.681 0.783 1.00 0.00 O ATOM 1055 NE2 GLN A 80 15.696 -0.481 0.308 1.00 0.00 N ATOM 0 H GLN A 80 13.074 -1.132 4.506 1.00 0.00 H new ATOM 0 HA GLN A 80 13.107 1.008 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.545 -1.911 2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.095 -0.679 0.957 1.00 0.00 H new ATOM 0 HG2 GLN A 80 15.048 -0.577 2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.629 -2.278 2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.296 0.418 0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 80 16.266 -0.555 -0.535 1.00 0.00 H new ATOM 1064 N ALA A 81 10.211 -0.508 3.175 1.00 0.00 N ATOM 1065 CA ALA A 81 8.803 -0.337 2.989 1.00 0.00 C ATOM 1066 C ALA A 81 8.303 1.005 3.400 1.00 0.00 C ATOM 1067 O ALA A 81 7.540 1.637 2.672 1.00 0.00 O ATOM 1068 CB ALA A 81 8.038 -1.413 3.777 1.00 0.00 C ATOM 0 H ALA A 81 10.451 -1.263 3.818 1.00 0.00 H new ATOM 0 HA ALA A 81 8.627 -0.432 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.966 -1.278 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.330 -2.401 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.274 -1.324 4.837 1.00 0.00 H new ATOM 1074 N VAL A 82 8.777 1.526 4.547 1.00 0.00 N ATOM 1075 CA VAL A 82 8.489 2.856 4.987 1.00 0.00 C ATOM 1076 C VAL A 82 8.899 3.865 3.971 1.00 0.00 C ATOM 1077 O VAL A 82 8.055 4.639 3.518 1.00 0.00 O ATOM 1078 CB VAL A 82 9.066 3.171 6.336 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.023 4.671 6.673 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.256 2.405 7.396 1.00 0.00 C ATOM 0 H VAL A 82 9.378 1.006 5.187 1.00 0.00 H new ATOM 0 HA VAL A 82 7.406 2.910 5.101 1.00 0.00 H new ATOM 0 HB VAL A 82 10.114 2.872 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.454 4.835 7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.595 5.227 5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.989 5.016 6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.658 2.619 8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.213 2.718 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.322 1.335 7.201 1.00 0.00 H new ATOM 1090 N GLU A 83 10.153 3.879 3.486 1.00 0.00 N ATOM 1091 CA GLU A 83 10.606 4.767 2.460 1.00 0.00 C ATOM 1092 C GLU A 83 9.874 4.694 1.165 1.00 0.00 C ATOM 1093 O GLU A 83 9.703 5.692 0.465 1.00 0.00 O ATOM 1094 CB GLU A 83 12.109 4.571 2.198 1.00 0.00 C ATOM 1095 CG GLU A 83 12.959 4.928 3.420 1.00 0.00 C ATOM 1096 CD GLU A 83 14.447 5.048 3.130 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.921 4.640 2.036 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.157 5.592 4.018 1.00 0.00 O ATOM 0 H GLU A 83 10.880 3.247 3.821 1.00 0.00 H new ATOM 0 HA GLU A 83 10.396 5.758 2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.295 3.534 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.413 5.189 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.603 5.872 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.810 4.168 4.187 1.00 0.00 H new ATOM 1105 N THR A 84 9.367 3.500 0.813 1.00 0.00 N ATOM 1106 CA THR A 84 8.619 3.202 -0.370 1.00 0.00 C ATOM 1107 C THR A 84 7.245 3.779 -0.348 1.00 0.00 C ATOM 1108 O THR A 84 6.687 4.110 -1.394 1.00 0.00 O ATOM 1109 CB THR A 84 8.675 1.723 -0.616 1.00 0.00 C ATOM 1110 OG1 THR A 84 10.032 1.344 -0.797 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.958 1.206 -1.875 1.00 0.00 C ATOM 0 H THR A 84 9.490 2.677 1.403 1.00 0.00 H new ATOM 0 HA THR A 84 9.077 3.696 -1.227 1.00 0.00 H new ATOM 0 HB THR A 84 8.173 1.298 0.253 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.364 0.917 0.020 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.071 0.124 -1.940 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.899 1.457 -1.820 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.395 1.670 -2.759 1.00 0.00 H new ATOM 1119 N LEU A 85 6.661 4.005 0.842 1.00 0.00 N ATOM 1120 CA LEU A 85 5.466 4.757 1.062 1.00 0.00 C ATOM 1121 C LEU A 85 5.693 6.207 1.316 1.00 0.00 C ATOM 1122 O LEU A 85 5.019 7.076 0.764 1.00 0.00 O ATOM 1123 CB LEU A 85 4.761 4.197 2.309 1.00 0.00 C ATOM 1124 CG LEU A 85 4.357 2.717 2.197 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.299 2.079 3.595 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.022 2.546 1.453 1.00 0.00 C ATOM 0 H LEU A 85 7.052 3.636 1.709 1.00 0.00 H new ATOM 0 HA LEU A 85 4.880 4.665 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.420 4.318 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.869 4.791 2.505 1.00 0.00 H new ATOM 0 HG LEU A 85 5.117 2.202 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.012 1.031 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.279 2.148 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.565 2.605 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.771 1.487 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.236 3.076 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.112 2.954 0.446 1.00 0.00 H new ATOM 1138 N ARG A 86 6.654 6.535 2.199 1.00 0.00 N ATOM 1139 CA ARG A 86 6.857 7.821 2.791 1.00 0.00 C ATOM 1140 C ARG A 86 7.670 8.769 1.978 1.00 0.00 C ATOM 1141 O ARG A 86 7.438 9.975 2.026 1.00 0.00 O ATOM 1142 CB ARG A 86 7.419 7.578 4.202 1.00 0.00 C ATOM 1143 CG ARG A 86 7.918 8.788 4.995 1.00 0.00 C ATOM 1144 CD ARG A 86 9.395 9.044 4.695 1.00 0.00 C ATOM 1145 NE ARG A 86 9.809 10.250 5.465 1.00 0.00 N ATOM 1146 CZ ARG A 86 9.614 11.529 5.029 1.00 0.00 C ATOM 1147 NH1 ARG A 86 9.098 11.806 3.796 1.00 0.00 N ATOM 1148 NH2 ARG A 86 9.917 12.550 5.880 1.00 0.00 N ATOM 0 H ARG A 86 7.338 5.850 2.522 1.00 0.00 H new ATOM 0 HA ARG A 86 5.902 8.344 2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.643 7.090 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.245 6.872 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.329 9.668 4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.781 8.614 6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.998 8.182 4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.547 9.201 3.627 1.00 0.00 H new ATOM 0 HE ARG A 86 10.263 10.113 6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.844 11.045 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.966 12.774 3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.278 12.347 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.783 13.517 5.585 1.00 0.00 H new ATOM 1162 N ASN A 87 8.665 8.327 1.187 1.00 0.00 N ATOM 1163 CA ASN A 87 9.449 9.202 0.374 1.00 0.00 C ATOM 1164 C ASN A 87 8.868 9.350 -0.991 1.00 0.00 C ATOM 1165 O ASN A 87 9.555 9.404 -2.009 1.00 0.00 O ATOM 1166 CB ASN A 87 10.928 8.789 0.282 1.00 0.00 C ATOM 1167 CG ASN A 87 11.610 9.093 1.609 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.396 10.162 2.178 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.450 8.152 2.118 1.00 0.00 N ATOM 0 H ASN A 87 8.929 7.345 1.111 1.00 0.00 H new ATOM 0 HA ASN A 87 9.421 10.169 0.877 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.009 7.727 0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.420 9.329 -0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.929 8.321 3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.601 7.278 1.615 1.00 0.00 H new ATOM 1176 N THR A 88 7.529 9.474 -1.038 1.00 0.00 N ATOM 1177 CA THR A 88 6.736 9.734 -2.198 1.00 0.00 C ATOM 1178 C THR A 88 6.325 11.167 -2.193 1.00 0.00 C ATOM 1179 O THR A 88 6.353 11.832 -1.158 1.00 0.00 O ATOM 1180 CB THR A 88 5.524 8.850 -2.183 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.731 9.071 -1.026 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.000 7.388 -2.115 1.00 0.00 C ATOM 0 H THR A 88 6.958 9.385 -0.197 1.00 0.00 H new ATOM 0 HA THR A 88 7.313 9.526 -3.099 1.00 0.00 H new ATOM 0 HB THR A 88 4.937 9.066 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.058 8.509 -0.293 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.136 6.724 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.617 7.165 -2.986 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.586 7.238 -1.208 1.00 0.00 H new ATOM 1190 N GLY A 89 5.918 11.725 -3.348 1.00 0.00 N ATOM 1191 CA GLY A 89 5.532 13.096 -3.468 1.00 0.00 C ATOM 1192 C GLY A 89 4.301 13.446 -2.704 1.00 0.00 C ATOM 1193 O GLY A 89 4.365 14.139 -1.690 1.00 0.00 O ATOM 0 H GLY A 89 5.856 11.206 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.353 13.726 -3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.372 13.327 -4.521 1.00 0.00 H new ATOM 1197 N GLN A 90 3.135 12.955 -3.158 1.00 0.00 N ATOM 1198 CA GLN A 90 1.876 13.248 -2.546 1.00 0.00 C ATOM 1199 C GLN A 90 0.922 12.135 -2.818 1.00 0.00 C ATOM 1200 O GLN A 90 0.357 11.555 -1.893 1.00 0.00 O ATOM 1201 CB GLN A 90 1.322 14.607 -3.006 1.00 0.00 C ATOM 1202 CG GLN A 90 0.131 15.084 -2.174 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.181 16.554 -2.413 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -1.249 16.931 -2.891 1.00 0.00 O ATOM 1205 NE2 GLN A 90 0.780 17.445 -2.049 1.00 0.00 N ATOM 0 H GLN A 90 3.065 12.340 -3.969 1.00 0.00 H new ATOM 0 HA GLN A 90 2.018 13.328 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.116 15.352 -2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.021 14.535 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.745 14.483 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.341 14.926 -1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.660 17.113 -1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.621 18.445 -2.171 1.00 0.00 H new ATOM 1214 N VAL A 91 0.746 11.755 -4.097 1.00 0.00 N ATOM 1215 CA VAL A 91 0.002 10.594 -4.473 1.00 0.00 C ATOM 1216 C VAL A 91 0.729 9.334 -4.148 1.00 0.00 C ATOM 1217 O VAL A 91 1.897 9.137 -4.480 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.423 10.544 -5.910 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.108 9.216 -6.277 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.378 11.728 -6.137 1.00 0.00 C ATOM 0 H VAL A 91 1.131 12.269 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.906 10.677 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 91 0.455 10.611 -6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.395 9.233 -7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.418 8.390 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.997 9.082 -5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.714 11.731 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.240 11.632 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.858 12.661 -5.921 1.00 0.00 H new ATOM 1230 N VAL A 92 0.005 8.416 -3.483 1.00 0.00 N ATOM 1231 CA VAL A 92 0.449 7.086 -3.200 1.00 0.00 C ATOM 1232 C VAL A 92 -0.582 6.137 -3.707 1.00 0.00 C ATOM 1233 O VAL A 92 -1.683 6.036 -3.168 1.00 0.00 O ATOM 1234 CB VAL A 92 0.647 6.922 -1.722 1.00 0.00 C ATOM 1235 CG1 VAL A 92 1.002 5.468 -1.367 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.791 7.845 -1.271 1.00 0.00 C ATOM 0 H VAL A 92 -0.931 8.609 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 92 1.402 6.885 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.282 7.182 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.140 5.380 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.195 4.808 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.924 5.184 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.945 7.735 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.706 7.575 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.534 8.880 -1.497 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.271 5.391 -4.782 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.069 4.294 -5.235 1.00 0.00 C ATOM 1248 C HIS A 93 -0.725 3.074 -4.451 1.00 0.00 C ATOM 1249 O HIS A 93 0.366 2.529 -4.604 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.915 3.946 -6.725 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.036 5.114 -7.659 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.023 6.050 -7.704 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.023 5.443 -8.535 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -0.423 6.955 -8.577 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -1.628 6.630 -9.117 1.00 0.00 N ATOM 0 H HIS A 93 0.559 5.555 -5.352 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.100 4.616 -5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.057 3.477 -6.876 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.670 3.206 -6.991 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -2.929 4.889 -8.734 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.137 7.843 -8.831 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.142 7.162 -9.819 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.624 2.594 -3.572 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.451 1.399 -2.806 1.00 0.00 C ATOM 1265 C LEU A 94 -1.992 0.253 -3.589 1.00 0.00 C ATOM 1266 O LEU A 94 -3.201 0.117 -3.776 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.214 1.502 -1.475 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.586 2.391 -0.389 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.081 1.937 0.995 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.052 2.282 -0.354 1.00 0.00 C ATOM 0 H LEU A 94 -2.512 3.061 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.391 1.255 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.216 1.877 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.328 0.497 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.876 3.415 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.636 2.567 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.167 2.022 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.791 0.900 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.341 2.929 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.235 1.250 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.357 2.589 -1.317 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.104 -0.631 -4.077 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.481 -1.837 -4.745 1.00 0.00 C ATOM 1284 C LEU A 95 -1.621 -2.897 -3.708 1.00 0.00 C ATOM 1285 O LEU A 95 -0.651 -3.531 -3.296 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.438 -2.222 -5.809 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.043 -2.843 -7.079 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.083 -3.315 -8.014 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.036 -3.980 -6.782 1.00 0.00 C ATOM 0 H LEU A 95 -0.095 -0.503 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.426 -1.705 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.129 -1.333 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.268 -2.928 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.624 -2.066 -7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.350 -3.754 -8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.707 -2.465 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.692 -4.061 -7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.427 -4.376 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.527 -4.775 -6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.859 -3.596 -6.179 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.868 -3.055 -3.231 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.267 -3.936 -2.177 1.00 0.00 C ATOM 1303 C LEU A 96 -3.844 -5.191 -2.734 1.00 0.00 C ATOM 1304 O LEU A 96 -4.535 -5.189 -3.752 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.350 -3.278 -1.306 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.855 -2.098 -0.452 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.759 -0.867 -0.634 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.771 -2.503 1.030 1.00 0.00 C ATOM 0 H LEU A 96 -3.655 -2.528 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.380 -4.156 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.155 -2.929 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.776 -4.034 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.855 -1.829 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.386 -0.048 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.756 -0.565 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.776 -1.115 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.419 -1.656 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.758 -2.804 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.076 -3.336 1.141 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.582 -6.322 -2.054 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.269 -7.568 -2.202 1.00 0.00 C ATOM 1322 C GLU A 97 -5.034 -7.798 -0.944 1.00 0.00 C ATOM 1323 O GLU A 97 -4.599 -7.483 0.163 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.288 -8.737 -2.392 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.898 -10.133 -2.543 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.846 -11.229 -2.637 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.630 -10.911 -2.707 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -3.223 -12.432 -2.631 1.00 0.00 O ATOM 0 H GLU A 97 -2.841 -6.368 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.913 -7.522 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.684 -8.533 -3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.610 -8.753 -1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.550 -10.334 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.522 -10.157 -3.436 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.229 -8.394 -1.103 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.095 -8.854 -0.062 1.00 0.00 C ATOM 1337 C LYS A 98 -6.464 -9.778 0.923 1.00 0.00 C ATOM 1338 O LYS A 98 -5.835 -10.777 0.577 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.359 -9.409 -0.740 1.00 0.00 C ATOM 1340 CG LYS A 98 -8.166 -10.513 -1.782 1.00 0.00 C ATOM 1341 CD LYS A 98 -8.010 -11.914 -1.185 1.00 0.00 C ATOM 1342 CE LYS A 98 -6.798 -12.671 -1.728 1.00 0.00 C ATOM 1343 NZ LYS A 98 -6.668 -14.008 -1.108 1.00 0.00 N ATOM 0 H LYS A 98 -6.618 -8.567 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.358 -8.016 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.020 -9.791 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.877 -8.579 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.019 -10.511 -2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.284 -10.284 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.923 -11.832 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.912 -12.491 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.890 -12.778 -2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.893 -12.093 -1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.680 -14.165 -0.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.281 -14.063 -0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.952 -14.737 -1.793 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.614 -9.529 2.237 1.00 0.00 N ATOM 1358 CA GLY A 99 -6.209 -10.441 3.259 1.00 0.00 C ATOM 1359 C GLY A 99 -7.281 -11.423 3.588 1.00 0.00 C ATOM 1360 O GLY A 99 -7.561 -11.720 4.748 1.00 0.00 O ATOM 0 H GLY A 99 -7.028 -8.669 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.315 -10.975 2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.940 -9.884 4.156 1.00 0.00 H new ATOM 1364 N GLN A 100 -7.933 -11.968 2.546 1.00 0.00 N ATOM 1365 CA GLN A 100 -9.184 -12.660 2.601 1.00 0.00 C ATOM 1366 C GLN A 100 -9.032 -14.074 2.156 1.00 0.00 C ATOM 1367 O GLN A 100 -8.262 -14.360 1.239 1.00 0.00 O ATOM 1368 CB GLN A 100 -10.195 -11.924 1.705 1.00 0.00 C ATOM 1369 CG GLN A 100 -11.653 -11.974 2.169 1.00 0.00 C ATOM 1370 CD GLN A 100 -11.826 -11.251 3.497 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -12.173 -11.869 4.502 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -11.587 -9.912 3.516 1.00 0.00 N ATOM 0 H GLN A 100 -7.559 -11.921 1.598 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.541 -12.675 3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.893 -10.879 1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.138 -12.346 0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -12.294 -11.517 1.415 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.971 -13.012 2.271 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.301 -9.433 2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.694 -9.387 4.384 1.00 0.00 H new ATOM 1381 N VAL A 101 -9.767 -15.000 2.795 1.00 0.00 N ATOM 1382 CA VAL A 101 -9.699 -16.411 2.565 1.00 0.00 C ATOM 1383 C VAL A 101 -10.534 -16.795 1.392 1.00 0.00 C ATOM 1384 O VAL A 101 -11.714 -16.448 1.385 1.00 0.00 O ATOM 1385 CB VAL A 101 -10.154 -17.191 3.763 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -9.912 -18.696 3.562 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -9.394 -16.723 5.015 1.00 0.00 C ATOM 0 H VAL A 101 -10.447 -14.751 3.513 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.654 -16.650 2.368 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.222 -17.018 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -10.250 -19.240 4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.466 -19.040 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.848 -18.876 3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.731 -17.295 5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.325 -16.879 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.587 -15.663 5.183 1.00 0.00 H new ATOM 1397 N PRO A 102 -10.061 -17.485 0.397 1.00 0.00 N ATOM 1398 CA PRO A 102 -10.899 -18.014 -0.641 1.00 0.00 C ATOM 1399 C PRO A 102 -11.766 -19.151 -0.225 1.00 0.00 C ATOM 1400 O PRO A 102 -11.300 -20.094 0.468 1.00 0.00 O ATOM 1401 CB PRO A 102 -9.924 -18.486 -1.717 1.00 0.00 C ATOM 1402 CG PRO A 102 -8.685 -17.602 -1.504 1.00 0.00 C ATOM 1403 CD PRO A 102 -8.654 -17.543 0.032 1.00 0.00 C ATOM 1404 OXT PRO A 102 -12.951 -19.184 -0.651 1.00 0.00 O ATOM 0 HA PRO A 102 -11.599 -17.244 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.685 -19.543 -1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.339 -18.358 -2.717 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.781 -18.045 -1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.795 -16.616 -1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.164 -18.419 0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.110 -16.669 0.389 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 10.615 -2.987 17.975 1.00 0.00 N ATOM 1414 CA TYR B 205 9.637 -2.140 17.365 1.00 0.00 C ATOM 1415 C TYR B 205 9.387 -2.521 15.947 1.00 0.00 C ATOM 1416 O TYR B 205 10.164 -3.213 15.291 1.00 0.00 O ATOM 1417 CB TYR B 205 10.017 -0.650 17.436 1.00 0.00 C ATOM 1418 CG TYR B 205 9.517 -0.014 18.688 1.00 0.00 C ATOM 1419 CD1 TYR B 205 10.234 -0.111 19.857 1.00 0.00 C ATOM 1420 CD2 TYR B 205 8.353 0.718 18.675 1.00 0.00 C ATOM 1421 CE1 TYR B 205 9.814 0.544 20.991 1.00 0.00 C ATOM 1422 CE2 TYR B 205 7.925 1.376 19.805 1.00 0.00 C ATOM 1423 CZ TYR B 205 8.667 1.302 20.959 1.00 0.00 C ATOM 1424 OH TYR B 205 8.255 2.026 22.098 1.00 0.00 O ATOM 0 HA TYR B 205 8.722 -2.284 17.940 1.00 0.00 H new ATOM 0 HB2 TYR B 205 11.101 -0.548 17.383 1.00 0.00 H new ATOM 0 HB3 TYR B 205 9.605 -0.128 16.573 1.00 0.00 H new ATOM 0 HD1 TYR B 205 11.135 -0.707 19.885 1.00 0.00 H new ATOM 0 HD2 TYR B 205 7.769 0.777 17.769 1.00 0.00 H new ATOM 0 HE1 TYR B 205 10.384 0.463 21.905 1.00 0.00 H new ATOM 0 HE2 TYR B 205 7.009 1.948 19.785 1.00 0.00 H new ATOM 0 HH TYR B 205 7.425 2.507 21.898 1.00 0.00 H new ATOM 1434 N LEU B 206 8.232 -2.053 15.441 1.00 0.00 N ATOM 1435 CA LEU B 206 7.752 -2.184 14.100 1.00 0.00 C ATOM 1436 C LEU B 206 6.718 -1.114 14.040 1.00 0.00 C ATOM 1437 O LEU B 206 6.787 -0.162 14.816 1.00 0.00 O ATOM 1438 CB LEU B 206 7.217 -3.604 13.847 1.00 0.00 C ATOM 1439 CG LEU B 206 6.773 -4.003 12.430 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.686 -3.452 11.322 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.740 -5.539 12.340 1.00 0.00 C ATOM 0 H LEU B 206 7.575 -1.536 16.026 1.00 0.00 H new ATOM 0 HA LEU B 206 8.504 -2.064 13.320 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.992 -4.305 14.156 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.366 -3.756 14.511 1.00 0.00 H new ATOM 0 HG LEU B 206 5.787 -3.568 12.267 1.00 0.00 H new ATOM 0 HD11 LEU B 206 7.312 -3.773 10.350 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.695 -2.363 11.366 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.699 -3.829 11.464 1.00 0.00 H new ATOM 0 HD21 LEU B 206 6.427 -5.838 11.340 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.734 -5.937 12.543 1.00 0.00 H new ATOM 0 HD23 LEU B 206 6.036 -5.931 13.074 1.00 0.00 H new ATOM 1453 N VAL B 207 5.705 -1.241 13.162 1.00 0.00 N ATOM 1454 CA VAL B 207 4.494 -0.482 13.125 1.00 0.00 C ATOM 1455 C VAL B 207 4.635 1.001 13.091 1.00 0.00 C ATOM 1456 O VAL B 207 4.523 1.726 14.079 1.00 0.00 O ATOM 1457 CB VAL B 207 3.390 -1.008 13.993 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.000 -2.380 13.417 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.771 -1.114 15.479 1.00 0.00 C ATOM 0 H VAL B 207 5.739 -1.935 12.415 1.00 0.00 H new ATOM 0 HA VAL B 207 4.137 -0.679 12.114 1.00 0.00 H new ATOM 0 HB VAL B 207 2.554 -0.309 13.978 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.196 -2.810 14.014 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.663 -2.260 12.387 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.864 -3.044 13.441 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.924 -1.501 16.045 1.00 0.00 H new ATOM 0 HG22 VAL B 207 4.620 -1.788 15.590 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.039 -0.128 15.857 1.00 0.00 H new ATOM 1469 N THR B 208 4.874 1.499 11.866 1.00 0.00 N ATOM 1470 CA THR B 208 5.229 2.856 11.583 1.00 0.00 C ATOM 1471 C THR B 208 4.110 3.322 10.717 1.00 0.00 C ATOM 1472 O THR B 208 3.928 2.771 9.633 1.00 0.00 O ATOM 1473 CB THR B 208 6.503 2.994 10.805 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.606 2.436 11.504 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.848 4.464 10.514 1.00 0.00 C ATOM 0 H THR B 208 4.817 0.923 11.026 1.00 0.00 H new ATOM 0 HA THR B 208 5.382 3.413 12.508 1.00 0.00 H new ATOM 0 HB THR B 208 6.331 2.459 9.871 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.023 1.740 10.955 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.779 4.514 9.949 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.045 4.918 9.933 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.965 5.003 11.454 1.00 0.00 H new ATOM 1483 N SER B 209 3.303 4.285 11.196 1.00 0.00 N ATOM 1484 CA SER B 209 2.205 4.821 10.451 1.00 0.00 C ATOM 1485 C SER B 209 2.686 5.879 9.519 1.00 0.00 C ATOM 1486 O SER B 209 3.338 6.837 9.929 1.00 0.00 O ATOM 1487 CB SER B 209 1.041 5.389 11.280 1.00 0.00 C ATOM 1488 OG SER B 209 0.593 4.438 12.235 1.00 0.00 O ATOM 0 H SER B 209 3.415 4.701 12.121 1.00 0.00 H new ATOM 0 HA SER B 209 1.798 3.960 9.921 1.00 0.00 H new ATOM 0 HB2 SER B 209 1.360 6.299 11.788 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.218 5.664 10.620 1.00 0.00 H new ATOM 0 HG SER B 209 -0.147 4.818 12.753 1.00 0.00 H new ATOM 1494 N VAL B 210 2.385 5.716 8.218 1.00 0.00 N ATOM 1495 CA VAL B 210 2.882 6.503 7.132 1.00 0.00 C ATOM 1496 C VAL B 210 1.768 6.408 6.099 1.00 0.00 C ATOM 1497 O VAL B 210 0.683 5.831 6.377 1.00 0.00 O ATOM 1498 CB VAL B 210 4.190 6.075 6.535 1.00 0.00 C ATOM 1499 CG1 VAL B 210 5.333 6.704 7.350 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.294 4.543 6.453 1.00 0.00 C ATOM 1501 OXT VAL B 210 1.943 7.056 5.032 1.00 0.00 O ATOM 0 H VAL B 210 1.750 4.982 7.904 1.00 0.00 H new ATOM 0 HA VAL B 210 3.114 7.507 7.487 1.00 0.00 H new ATOM 0 HB VAL B 210 4.262 6.430 5.507 1.00 0.00 H new ATOM 0 HG11 VAL B 210 6.291 6.401 6.927 1.00 0.00 H new ATOM 0 HG12 VAL B 210 5.249 7.790 7.317 1.00 0.00 H new ATOM 0 HG13 VAL B 210 5.270 6.367 8.385 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.253 4.266 6.016 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.215 4.119 7.454 1.00 0.00 H new ATOM 0 HG23 VAL B 210 3.487 4.156 5.831 1.00 0.00 H new TER 1511 VAL B 210