USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 5 HIS : no HE2:sc= 1.12 K(o=1.7,f=-6.8!) USER MOD Set 1.2: A 6 SER OG : rot -112:sc= 0.546 USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0898) USER MOD Single : A 8 SER OG : rot -33:sc= 0.0782 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -150:sc= -0.0277 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc=-0.00218 (180deg=-0.0567) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 34 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.38) USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= 1.17 (180deg=-0.83) USER MOD Single : A 44 THR OG1 : rot -83:sc= 1.25 USER MOD Single : A 46 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-4) USER MOD Single : A 50 SER OG : rot -89:sc= 1.29 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.806 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 147:sc= 1.22 (180deg=1.04) USER MOD Single : A 78 ASN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 176:sc= -0.0106 (180deg=-0.0243) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0.864) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.293 F(o=-1.3,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 10.769 9.266 -10.872 1.00 0.00 N ATOM 2 CA GLU A 2 10.260 10.467 -10.227 1.00 0.00 C ATOM 3 C GLU A 2 10.081 10.178 -8.763 1.00 0.00 C ATOM 4 O GLU A 2 9.796 9.036 -8.394 1.00 0.00 O ATOM 5 CB GLU A 2 8.917 10.888 -10.839 1.00 0.00 C ATOM 6 CG GLU A 2 8.378 12.181 -10.260 1.00 0.00 C ATOM 7 CD GLU A 2 9.352 13.311 -10.466 1.00 0.00 C ATOM 8 OE1 GLU A 2 9.404 13.864 -11.580 1.00 0.00 O ATOM 9 OE2 GLU A 2 10.132 13.604 -9.534 1.00 0.00 O ATOM 0 HA GLU A 2 10.968 11.283 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.035 11.001 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.187 10.094 -10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.426 12.426 -10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.183 12.054 -9.195 1.00 0.00 H new ATOM 16 N LEU A 3 10.226 11.183 -7.935 1.00 0.00 N ATOM 17 CA LEU A 3 10.078 10.989 -6.531 1.00 0.00 C ATOM 18 C LEU A 3 8.884 11.686 -5.959 1.00 0.00 C ATOM 19 O LEU A 3 8.299 12.587 -6.567 1.00 0.00 O ATOM 20 CB LEU A 3 11.342 11.310 -5.741 1.00 0.00 C ATOM 21 CG LEU A 3 12.474 10.296 -5.843 1.00 0.00 C ATOM 22 CD1 LEU A 3 13.683 10.774 -5.063 1.00 0.00 C ATOM 23 CD2 LEU A 3 12.011 8.939 -5.325 1.00 0.00 C ATOM 0 H LEU A 3 10.446 12.138 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 3 9.901 9.919 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.718 12.278 -6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.072 11.417 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 3 12.758 10.193 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.483 10.039 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.023 11.727 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.413 10.900 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.828 8.222 -5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.707 9.032 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.166 8.592 -5.919 1.00 0.00 H new ATOM 35 N LYS A 4 8.540 11.246 -4.798 1.00 0.00 N ATOM 36 CA LYS A 4 7.427 11.719 -4.043 1.00 0.00 C ATOM 37 C LYS A 4 7.879 12.351 -2.750 1.00 0.00 C ATOM 38 O LYS A 4 8.971 12.055 -2.255 1.00 0.00 O ATOM 39 CB LYS A 4 6.470 10.552 -3.758 1.00 0.00 C ATOM 40 CG LYS A 4 7.153 9.158 -3.660 1.00 0.00 C ATOM 41 CD LYS A 4 8.203 9.001 -2.561 1.00 0.00 C ATOM 42 CE LYS A 4 7.662 9.097 -1.151 1.00 0.00 C ATOM 43 NZ LYS A 4 8.738 8.900 -0.153 1.00 0.00 N ATOM 0 H LYS A 4 9.055 10.505 -4.322 1.00 0.00 H new ATOM 0 HA LYS A 4 6.909 12.481 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.945 10.751 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.717 10.518 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.379 8.407 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.623 8.938 -4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.694 8.036 -2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.967 9.767 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.197 10.072 -1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.884 8.347 -1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.366 9.087 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.083 7.920 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.522 9.554 -0.354 1.00 0.00 H new ATOM 57 N HIS A 5 7.065 13.215 -2.223 1.00 0.00 N ATOM 58 CA HIS A 5 7.333 13.842 -0.939 1.00 0.00 C ATOM 59 C HIS A 5 6.511 13.152 0.166 1.00 0.00 C ATOM 60 O HIS A 5 6.935 13.084 1.313 1.00 0.00 O ATOM 61 CB HIS A 5 7.033 15.373 -0.987 1.00 0.00 C ATOM 62 CG HIS A 5 5.584 15.721 -1.188 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.893 15.444 -2.333 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.679 16.239 -0.324 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.628 15.763 -2.152 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.430 16.265 -0.943 1.00 0.00 N ATOM 0 H HIS A 5 6.193 13.513 -2.661 1.00 0.00 H new ATOM 0 HA HIS A 5 8.392 13.724 -0.710 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.376 15.826 -0.057 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.615 15.819 -1.793 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.291 15.054 -3.187 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.890 16.577 0.680 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.853 15.632 -2.893 1.00 0.00 H new ATOM 74 N SER A 6 5.358 12.613 -0.199 1.00 0.00 N ATOM 75 CA SER A 6 4.458 11.985 0.752 1.00 0.00 C ATOM 76 C SER A 6 3.711 10.868 0.056 1.00 0.00 C ATOM 77 O SER A 6 3.966 10.601 -1.129 1.00 0.00 O ATOM 78 CB SER A 6 3.450 13.025 1.221 1.00 0.00 C ATOM 79 OG SER A 6 2.667 13.489 0.124 1.00 0.00 O ATOM 0 H SER A 6 5.021 12.599 -1.162 1.00 0.00 H new ATOM 0 HA SER A 6 5.020 11.589 1.598 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.801 12.593 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.971 13.863 1.684 1.00 0.00 H new ATOM 0 HG SER A 6 2.879 14.429 -0.055 1.00 0.00 H new ATOM 85 N ILE A 7 2.788 10.218 0.764 1.00 0.00 N ATOM 86 CA ILE A 7 1.938 9.218 0.142 1.00 0.00 C ATOM 87 C ILE A 7 0.909 9.896 -0.780 1.00 0.00 C ATOM 88 O ILE A 7 0.459 9.322 -1.759 1.00 0.00 O ATOM 89 CB ILE A 7 1.189 8.329 1.170 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.442 7.212 0.413 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.226 9.164 2.034 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.408 6.334 1.267 1.00 0.00 C ATOM 0 H ILE A 7 2.615 10.367 1.758 1.00 0.00 H new ATOM 0 HA ILE A 7 2.599 8.569 -0.432 1.00 0.00 H new ATOM 0 HB ILE A 7 1.911 7.879 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.186 7.669 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.174 6.592 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.284 8.513 2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.789 9.923 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.511 9.649 1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.892 5.580 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.214 5.843 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.168 6.936 1.765 1.00 0.00 H new ATOM 104 N SER A 8 0.584 11.149 -0.487 1.00 0.00 N ATOM 105 CA SER A 8 -0.410 11.875 -1.254 1.00 0.00 C ATOM 106 C SER A 8 0.199 12.317 -2.587 1.00 0.00 C ATOM 107 O SER A 8 -0.471 12.906 -3.436 1.00 0.00 O ATOM 108 CB SER A 8 -0.939 13.072 -0.437 1.00 0.00 C ATOM 109 OG SER A 8 -2.080 13.682 -1.036 1.00 0.00 O ATOM 0 H SER A 8 0.998 11.681 0.279 1.00 0.00 H new ATOM 0 HA SER A 8 -1.260 11.227 -1.469 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.196 12.736 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.148 13.814 -0.332 1.00 0.00 H new ATOM 0 HG SER A 8 -2.011 13.618 -2.011 1.00 0.00 H new ATOM 115 N ASP A 9 1.481 12.039 -2.747 1.00 0.00 N ATOM 116 CA ASP A 9 2.182 12.291 -3.987 1.00 0.00 C ATOM 117 C ASP A 9 2.077 11.035 -4.875 1.00 0.00 C ATOM 118 O ASP A 9 2.569 10.990 -5.986 1.00 0.00 O ATOM 119 CB ASP A 9 3.636 12.601 -3.692 1.00 0.00 C ATOM 120 CG ASP A 9 4.375 13.342 -4.797 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.943 13.351 -5.968 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.399 13.976 -4.473 1.00 0.00 O ATOM 0 H ASP A 9 2.064 11.631 -2.016 1.00 0.00 H new ATOM 0 HA ASP A 9 1.740 13.143 -4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.687 13.196 -2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.158 11.665 -3.492 1.00 0.00 H new ATOM 127 N TYR A 10 1.447 10.017 -4.359 1.00 0.00 N ATOM 128 CA TYR A 10 1.168 8.827 -5.123 1.00 0.00 C ATOM 129 C TYR A 10 -0.257 8.886 -5.559 1.00 0.00 C ATOM 130 O TYR A 10 -1.130 9.249 -4.766 1.00 0.00 O ATOM 131 CB TYR A 10 1.316 7.548 -4.285 1.00 0.00 C ATOM 132 CG TYR A 10 2.709 7.119 -3.909 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.481 7.847 -3.026 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.243 5.944 -4.428 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.721 7.432 -2.677 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.501 5.515 -4.071 1.00 0.00 C ATOM 137 CZ TYR A 10 5.238 6.266 -3.195 1.00 0.00 C ATOM 138 OH TYR A 10 6.506 5.858 -2.826 1.00 0.00 O ATOM 0 H TYR A 10 1.111 9.986 -3.396 1.00 0.00 H new ATOM 0 HA TYR A 10 1.874 8.792 -5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.746 7.681 -3.366 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.849 6.730 -4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.089 8.762 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.660 5.358 -5.123 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.309 8.020 -1.987 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.902 4.598 -4.477 1.00 0.00 H new ATOM 0 HH TYR A 10 6.723 5.016 -3.278 1.00 0.00 H new ATOM 148 N THR A 11 -0.519 8.583 -6.792 1.00 0.00 N ATOM 149 CA THR A 11 -1.875 8.428 -7.215 1.00 0.00 C ATOM 150 C THR A 11 -2.366 7.082 -6.719 1.00 0.00 C ATOM 151 O THR A 11 -1.556 6.283 -6.190 1.00 0.00 O ATOM 152 CB THR A 11 -2.014 8.496 -8.750 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.112 7.577 -9.377 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.767 9.896 -9.259 1.00 0.00 C ATOM 0 H THR A 11 0.182 8.439 -7.518 1.00 0.00 H new ATOM 0 HA THR A 11 -2.469 9.244 -6.802 1.00 0.00 H new ATOM 0 HB THR A 11 -3.036 8.217 -9.005 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.849 7.925 -10.255 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.872 9.913 -10.344 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.491 10.578 -8.814 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.759 10.209 -8.987 1.00 0.00 H new ATOM 162 N GLU A 12 -3.656 6.804 -6.867 1.00 0.00 N ATOM 163 CA GLU A 12 -4.162 5.506 -6.489 1.00 0.00 C ATOM 164 C GLU A 12 -3.427 4.477 -7.311 1.00 0.00 C ATOM 165 O GLU A 12 -2.917 3.540 -6.787 1.00 0.00 O ATOM 166 CB GLU A 12 -5.671 5.380 -6.725 1.00 0.00 C ATOM 167 CG GLU A 12 -6.233 4.018 -6.328 1.00 0.00 C ATOM 168 CD GLU A 12 -7.684 3.858 -6.675 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.536 4.206 -5.854 1.00 0.00 O ATOM 170 OE2 GLU A 12 -7.997 3.378 -7.782 1.00 0.00 O ATOM 0 H GLU A 12 -4.352 7.450 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.999 5.356 -5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.186 6.157 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.883 5.559 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.658 3.236 -6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.104 3.877 -5.255 1.00 0.00 H new ATOM 177 N ALA A 13 -3.290 4.766 -8.589 1.00 0.00 N ATOM 178 CA ALA A 13 -2.631 3.880 -9.539 1.00 0.00 C ATOM 179 C ALA A 13 -1.145 3.646 -9.202 1.00 0.00 C ATOM 180 O ALA A 13 -0.678 2.517 -9.263 1.00 0.00 O ATOM 181 CB ALA A 13 -2.788 4.414 -10.955 1.00 0.00 C ATOM 0 H ALA A 13 -3.635 5.631 -9.006 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.122 2.909 -9.467 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.291 3.742 -11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.847 4.478 -11.204 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.339 5.405 -11.022 1.00 0.00 H new ATOM 187 N GLU A 14 -0.407 4.701 -8.850 1.00 0.00 N ATOM 188 CA GLU A 14 1.025 4.555 -8.502 1.00 0.00 C ATOM 189 C GLU A 14 1.215 3.808 -7.201 1.00 0.00 C ATOM 190 O GLU A 14 2.172 3.050 -7.041 1.00 0.00 O ATOM 191 CB GLU A 14 1.745 5.902 -8.453 1.00 0.00 C ATOM 192 CG GLU A 14 1.901 6.582 -9.802 1.00 0.00 C ATOM 193 CD GLU A 14 2.726 5.769 -10.760 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.955 5.706 -10.598 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.165 5.182 -11.711 1.00 0.00 O ATOM 0 H GLU A 14 -0.762 5.656 -8.796 1.00 0.00 H new ATOM 0 HA GLU A 14 1.475 3.965 -9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.198 6.568 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.733 5.756 -8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.916 6.758 -10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.367 7.558 -9.663 1.00 0.00 H new ATOM 202 N PHE A 15 0.326 4.014 -6.281 1.00 0.00 N ATOM 203 CA PHE A 15 0.389 3.307 -5.030 1.00 0.00 C ATOM 204 C PHE A 15 -0.139 1.919 -5.209 1.00 0.00 C ATOM 205 O PHE A 15 0.304 1.013 -4.592 1.00 0.00 O ATOM 206 CB PHE A 15 -0.347 4.046 -3.941 1.00 0.00 C ATOM 207 CG PHE A 15 -0.123 3.471 -2.587 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.941 3.899 -1.818 1.00 0.00 C ATOM 209 CD2 PHE A 15 -0.974 2.511 -2.078 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.149 3.378 -0.570 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.770 1.991 -0.835 1.00 0.00 C ATOM 212 CZ PHE A 15 0.289 2.424 -0.081 1.00 0.00 C ATOM 0 H PHE A 15 -0.454 4.665 -6.368 1.00 0.00 H new ATOM 0 HA PHE A 15 1.431 3.244 -4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.032 5.089 -3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.414 4.035 -4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.614 4.650 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.810 2.169 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.984 3.714 0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.441 1.240 -0.445 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.449 2.013 0.905 1.00 0.00 H new ATOM 222 N LEU A 16 -1.072 1.760 -6.056 1.00 0.00 N ATOM 223 CA LEU A 16 -1.631 0.463 -6.315 1.00 0.00 C ATOM 224 C LEU A 16 -0.623 -0.397 -7.065 1.00 0.00 C ATOM 225 O LEU A 16 -0.671 -1.623 -7.040 1.00 0.00 O ATOM 226 CB LEU A 16 -2.979 0.638 -7.006 1.00 0.00 C ATOM 227 CG LEU A 16 -3.816 -0.561 -7.198 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.275 -0.173 -7.132 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.553 -1.160 -8.514 1.00 0.00 C ATOM 0 H LEU A 16 -1.485 2.517 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.833 -0.083 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.558 1.362 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.798 1.080 -7.986 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.578 -1.280 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.894 -1.059 -7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.491 0.268 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.494 0.552 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.177 -2.044 -8.643 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.783 -0.436 -9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.503 -1.445 -8.581 1.00 0.00 H new ATOM 241 N GLU A 17 0.288 0.257 -7.696 1.00 0.00 N ATOM 242 CA GLU A 17 1.428 -0.403 -8.261 1.00 0.00 C ATOM 243 C GLU A 17 2.369 -0.868 -7.151 1.00 0.00 C ATOM 244 O GLU A 17 3.070 -1.813 -7.353 1.00 0.00 O ATOM 245 CB GLU A 17 2.218 0.491 -9.211 1.00 0.00 C ATOM 246 CG GLU A 17 1.621 0.681 -10.578 1.00 0.00 C ATOM 247 CD GLU A 17 1.592 -0.591 -11.370 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.658 -1.184 -11.620 1.00 0.00 O ATOM 249 OE2 GLU A 17 0.508 -1.020 -11.779 1.00 0.00 O ATOM 0 H GLU A 17 0.270 1.267 -7.839 1.00 0.00 H new ATOM 0 HA GLU A 17 1.042 -1.250 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.334 1.470 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.218 0.073 -9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.607 1.067 -10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.195 1.431 -11.121 1.00 0.00 H new ATOM 256 N PHE A 18 2.340 -0.196 -5.961 1.00 0.00 N ATOM 257 CA PHE A 18 3.249 -0.540 -4.814 1.00 0.00 C ATOM 258 C PHE A 18 3.119 -1.992 -4.519 1.00 0.00 C ATOM 259 O PHE A 18 4.083 -2.729 -4.490 1.00 0.00 O ATOM 260 CB PHE A 18 2.929 0.305 -3.476 1.00 0.00 C ATOM 261 CG PHE A 18 2.180 -0.420 -2.270 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.782 -0.561 -2.222 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.894 -0.946 -1.207 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.152 -1.205 -1.145 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.261 -1.577 -0.146 1.00 0.00 C ATOM 266 CZ PHE A 18 0.899 -1.705 -0.119 1.00 0.00 C ATOM 0 H PHE A 18 1.706 0.579 -5.768 1.00 0.00 H new ATOM 0 HA PHE A 18 4.265 -0.284 -5.115 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.875 0.689 -3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.329 1.168 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.182 -0.167 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.971 -0.863 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.923 -1.304 -1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.850 -1.972 0.668 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.417 -2.200 0.711 1.00 0.00 H new ATOM 276 N VAL A 19 1.912 -2.389 -4.390 1.00 0.00 N ATOM 277 CA VAL A 19 1.580 -3.716 -3.985 1.00 0.00 C ATOM 278 C VAL A 19 1.844 -4.730 -5.089 1.00 0.00 C ATOM 279 O VAL A 19 2.345 -5.828 -4.832 1.00 0.00 O ATOM 280 CB VAL A 19 0.127 -3.773 -3.457 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.869 -3.341 -4.499 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.209 -5.117 -2.859 1.00 0.00 C ATOM 0 H VAL A 19 1.102 -1.794 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 19 2.237 -3.996 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 19 0.057 -3.050 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.876 -3.397 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.657 -2.316 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.796 -3.998 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.239 -5.109 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.094 -5.892 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.462 -5.322 -2.025 1.00 0.00 H new ATOM 292 N LYS A 20 1.547 -4.346 -6.312 1.00 0.00 N ATOM 293 CA LYS A 20 1.789 -5.203 -7.445 1.00 0.00 C ATOM 294 C LYS A 20 3.284 -5.412 -7.602 1.00 0.00 C ATOM 295 O LYS A 20 3.758 -6.515 -7.846 1.00 0.00 O ATOM 296 CB LYS A 20 1.226 -4.590 -8.705 1.00 0.00 C ATOM 297 CG LYS A 20 -0.258 -4.441 -8.654 1.00 0.00 C ATOM 298 CD LYS A 20 -0.810 -4.046 -9.982 1.00 0.00 C ATOM 299 CE LYS A 20 -2.304 -3.942 -9.930 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.918 -3.781 -11.265 1.00 0.00 N ATOM 0 H LYS A 20 1.136 -3.442 -6.544 1.00 0.00 H new ATOM 0 HA LYS A 20 1.296 -6.160 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.681 -3.612 -8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.497 -5.210 -9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.709 -5.381 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.525 -3.691 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.385 -3.090 -10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.518 -4.779 -10.734 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.709 -4.836 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.582 -3.095 -9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.951 -3.715 -11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.556 -2.914 -11.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.679 -4.601 -11.858 1.00 0.00 H new ATOM 314 N LYS A 21 4.004 -4.318 -7.410 1.00 0.00 N ATOM 315 CA LYS A 21 5.447 -4.249 -7.443 1.00 0.00 C ATOM 316 C LYS A 21 6.025 -5.202 -6.431 1.00 0.00 C ATOM 317 O LYS A 21 6.839 -6.010 -6.775 1.00 0.00 O ATOM 318 CB LYS A 21 5.876 -2.804 -7.143 1.00 0.00 C ATOM 319 CG LYS A 21 7.351 -2.528 -7.077 1.00 0.00 C ATOM 320 CD LYS A 21 7.555 -1.065 -6.743 1.00 0.00 C ATOM 321 CE LYS A 21 9.008 -0.705 -6.611 1.00 0.00 C ATOM 322 NZ LYS A 21 9.763 -0.885 -7.863 1.00 0.00 N ATOM 0 H LYS A 21 3.573 -3.414 -7.218 1.00 0.00 H new ATOM 0 HA LYS A 21 5.818 -4.536 -8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.445 -2.157 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.434 -2.511 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.820 -3.158 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.824 -2.768 -8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.100 -0.451 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.040 -0.833 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.091 0.333 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.459 -1.318 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.726 -0.511 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.811 -1.897 -8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.286 -0.374 -8.633 1.00 0.00 H new ATOM 336 N ILE A 22 5.547 -5.125 -5.197 1.00 0.00 N ATOM 337 CA ILE A 22 6.012 -6.002 -4.121 1.00 0.00 C ATOM 338 C ILE A 22 5.790 -7.468 -4.488 1.00 0.00 C ATOM 339 O ILE A 22 6.686 -8.298 -4.345 1.00 0.00 O ATOM 340 CB ILE A 22 5.297 -5.676 -2.781 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.583 -4.226 -2.399 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.759 -6.624 -1.672 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.884 -3.752 -1.167 1.00 0.00 C ATOM 0 H ILE A 22 4.830 -4.459 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 22 7.080 -5.828 -3.991 1.00 0.00 H new ATOM 0 HB ILE A 22 4.223 -5.812 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.657 -4.107 -2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.298 -3.583 -3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.245 -6.376 -0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.527 -7.652 -1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.835 -6.520 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.149 -2.712 -0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.806 -3.832 -1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.187 -4.365 -0.318 1.00 0.00 H new ATOM 355 N CYS A 23 4.622 -7.756 -5.033 1.00 0.00 N ATOM 356 CA CYS A 23 4.265 -9.100 -5.427 1.00 0.00 C ATOM 357 C CYS A 23 5.249 -9.644 -6.502 1.00 0.00 C ATOM 358 O CYS A 23 5.581 -10.832 -6.518 1.00 0.00 O ATOM 359 CB CYS A 23 2.812 -9.134 -5.940 1.00 0.00 C ATOM 360 SG CYS A 23 2.166 -10.787 -6.296 1.00 0.00 S ATOM 0 H CYS A 23 3.896 -7.062 -5.214 1.00 0.00 H new ATOM 0 HA CYS A 23 4.338 -9.749 -4.554 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.169 -8.661 -5.198 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.748 -8.532 -6.847 1.00 0.00 H new ATOM 0 HG CYS A 23 0.940 -10.692 -6.717 1.00 0.00 H new ATOM 366 N ARG A 24 5.729 -8.766 -7.369 1.00 0.00 N ATOM 367 CA ARG A 24 6.647 -9.143 -8.439 1.00 0.00 C ATOM 368 C ARG A 24 8.125 -8.823 -8.104 1.00 0.00 C ATOM 369 O ARG A 24 9.021 -9.014 -8.935 1.00 0.00 O ATOM 370 CB ARG A 24 6.215 -8.475 -9.746 1.00 0.00 C ATOM 371 CG ARG A 24 6.237 -6.977 -9.715 1.00 0.00 C ATOM 372 CD ARG A 24 5.562 -6.413 -10.929 1.00 0.00 C ATOM 373 NE ARG A 24 5.615 -4.940 -10.947 1.00 0.00 N ATOM 374 CZ ARG A 24 4.573 -4.117 -11.193 1.00 0.00 C ATOM 375 NH1 ARG A 24 3.358 -4.613 -11.442 1.00 0.00 N ATOM 376 NH2 ARG A 24 4.750 -2.795 -11.167 1.00 0.00 N ATOM 0 H ARG A 24 5.495 -7.773 -7.353 1.00 0.00 H new ATOM 0 HA ARG A 24 6.596 -10.226 -8.553 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.868 -8.819 -10.548 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.206 -8.806 -9.992 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.737 -6.619 -8.815 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.267 -6.624 -9.668 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.040 -6.805 -11.827 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.523 -6.740 -10.953 1.00 0.00 H new ATOM 0 HE ARG A 24 6.518 -4.504 -10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.210 -5.622 -11.448 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.578 -3.982 -11.627 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.671 -2.408 -10.962 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.964 -2.172 -11.353 1.00 0.00 H new ATOM 390 N ALA A 25 8.381 -8.381 -6.887 1.00 0.00 N ATOM 391 CA ALA A 25 9.717 -7.927 -6.485 1.00 0.00 C ATOM 392 C ALA A 25 10.402 -8.892 -5.542 1.00 0.00 C ATOM 393 O ALA A 25 11.333 -8.491 -4.849 1.00 0.00 O ATOM 394 CB ALA A 25 9.651 -6.551 -5.849 1.00 0.00 C ATOM 0 H ALA A 25 7.681 -8.323 -6.148 1.00 0.00 H new ATOM 0 HA ALA A 25 10.312 -7.879 -7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.653 -6.236 -5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.239 -5.839 -6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.013 -6.589 -4.966 1.00 0.00 H new ATOM 400 N GLU A 26 9.953 -10.156 -5.556 1.00 0.00 N ATOM 401 CA GLU A 26 10.466 -11.239 -4.672 1.00 0.00 C ATOM 402 C GLU A 26 11.990 -11.196 -4.515 1.00 0.00 C ATOM 403 O GLU A 26 12.513 -11.179 -3.405 1.00 0.00 O ATOM 404 CB GLU A 26 10.072 -12.605 -5.232 1.00 0.00 C ATOM 405 CG GLU A 26 8.582 -12.850 -5.321 1.00 0.00 C ATOM 406 CD GLU A 26 8.274 -14.232 -5.825 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.185 -15.178 -5.009 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.115 -14.410 -7.046 1.00 0.00 O ATOM 0 H GLU A 26 9.214 -10.469 -6.186 1.00 0.00 H new ATOM 0 HA GLU A 26 10.018 -11.080 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.503 -12.712 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.516 -13.380 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.131 -12.713 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.131 -12.112 -5.984 1.00 0.00 H new ATOM 415 N GLY A 27 12.683 -11.192 -5.642 1.00 0.00 N ATOM 416 CA GLY A 27 14.117 -11.090 -5.650 1.00 0.00 C ATOM 417 C GLY A 27 14.806 -12.268 -4.996 1.00 0.00 C ATOM 418 O GLY A 27 14.987 -13.324 -5.623 1.00 0.00 O ATOM 0 H GLY A 27 12.262 -11.259 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.462 -11.003 -6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.412 -10.175 -5.136 1.00 0.00 H new ATOM 422 N ALA A 28 15.158 -12.105 -3.742 1.00 0.00 N ATOM 423 CA ALA A 28 15.878 -13.118 -2.999 1.00 0.00 C ATOM 424 C ALA A 28 14.931 -13.987 -2.176 1.00 0.00 C ATOM 425 O ALA A 28 14.898 -15.210 -2.343 1.00 0.00 O ATOM 426 CB ALA A 28 16.927 -12.471 -2.101 1.00 0.00 C ATOM 0 H ALA A 28 14.953 -11.263 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 28 16.380 -13.766 -3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.460 -13.245 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.633 -11.910 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.438 -11.796 -1.399 1.00 0.00 H new ATOM 432 N THR A 29 14.179 -13.364 -1.293 1.00 0.00 N ATOM 433 CA THR A 29 13.243 -14.027 -0.391 1.00 0.00 C ATOM 434 C THR A 29 12.300 -12.914 0.107 1.00 0.00 C ATOM 435 O THR A 29 12.599 -11.748 -0.151 1.00 0.00 O ATOM 436 CB THR A 29 14.004 -14.686 0.829 1.00 0.00 C ATOM 437 OG1 THR A 29 15.102 -15.490 0.360 1.00 0.00 O ATOM 438 CG2 THR A 29 13.084 -15.590 1.642 1.00 0.00 C ATOM 0 H THR A 29 14.198 -12.351 -1.175 1.00 0.00 H new ATOM 0 HA THR A 29 12.703 -14.829 -0.894 1.00 0.00 H new ATOM 0 HB THR A 29 14.362 -13.869 1.456 1.00 0.00 H new ATOM 0 HG1 THR A 29 15.565 -15.890 1.126 1.00 0.00 H new ATOM 0 HG21 THR A 29 13.642 -16.025 2.471 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.251 -15.005 2.032 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.701 -16.387 1.005 1.00 0.00 H new ATOM 446 N GLU A 30 11.214 -13.263 0.822 1.00 0.00 N ATOM 447 CA GLU A 30 10.188 -12.306 1.312 1.00 0.00 C ATOM 448 C GLU A 30 10.782 -11.087 2.072 1.00 0.00 C ATOM 449 O GLU A 30 10.138 -10.065 2.203 1.00 0.00 O ATOM 450 CB GLU A 30 9.146 -13.040 2.179 1.00 0.00 C ATOM 451 CG GLU A 30 7.907 -12.212 2.516 1.00 0.00 C ATOM 452 CD GLU A 30 6.930 -12.950 3.390 1.00 0.00 C ATOM 453 OE1 GLU A 30 6.231 -13.848 2.892 1.00 0.00 O ATOM 454 OE2 GLU A 30 6.851 -12.658 4.594 1.00 0.00 O ATOM 0 H GLU A 30 11.016 -14.229 1.082 1.00 0.00 H new ATOM 0 HA GLU A 30 9.702 -11.894 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.832 -13.945 1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.621 -13.354 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.215 -11.295 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.410 -11.918 1.591 1.00 0.00 H new ATOM 461 N GLU A 31 12.003 -11.213 2.574 1.00 0.00 N ATOM 462 CA GLU A 31 12.700 -10.097 3.220 1.00 0.00 C ATOM 463 C GLU A 31 12.885 -8.923 2.236 1.00 0.00 C ATOM 464 O GLU A 31 12.875 -7.750 2.625 1.00 0.00 O ATOM 465 CB GLU A 31 14.075 -10.543 3.727 1.00 0.00 C ATOM 466 CG GLU A 31 14.990 -11.098 2.645 1.00 0.00 C ATOM 467 CD GLU A 31 16.393 -11.279 3.122 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.181 -10.312 3.060 1.00 0.00 O ATOM 469 OE2 GLU A 31 16.749 -12.379 3.570 1.00 0.00 O ATOM 0 H GLU A 31 12.538 -12.081 2.548 1.00 0.00 H new ATOM 0 HA GLU A 31 12.090 -9.769 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.567 -9.695 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.937 -11.304 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.600 -12.056 2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.985 -10.424 1.788 1.00 0.00 H new ATOM 476 N ASP A 32 13.024 -9.257 0.968 1.00 0.00 N ATOM 477 CA ASP A 32 13.259 -8.287 -0.082 1.00 0.00 C ATOM 478 C ASP A 32 11.957 -7.567 -0.369 1.00 0.00 C ATOM 479 O ASP A 32 11.927 -6.338 -0.545 1.00 0.00 O ATOM 480 CB ASP A 32 13.810 -9.003 -1.325 1.00 0.00 C ATOM 481 CG ASP A 32 14.360 -8.076 -2.375 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.465 -6.862 -2.126 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.781 -8.549 -3.446 1.00 0.00 O ATOM 0 H ASP A 32 12.976 -10.220 0.635 1.00 0.00 H new ATOM 0 HA ASP A 32 14.000 -7.549 0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.596 -9.692 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.015 -9.604 -1.767 1.00 0.00 H new ATOM 488 N ASP A 33 10.887 -8.341 -0.374 1.00 0.00 N ATOM 489 CA ASP A 33 9.519 -7.832 -0.484 1.00 0.00 C ATOM 490 C ASP A 33 9.279 -6.896 0.686 1.00 0.00 C ATOM 491 O ASP A 33 8.874 -5.742 0.522 1.00 0.00 O ATOM 492 CB ASP A 33 8.488 -8.983 -0.341 1.00 0.00 C ATOM 493 CG ASP A 33 8.648 -10.132 -1.310 1.00 0.00 C ATOM 494 OD1 ASP A 33 9.748 -10.704 -1.386 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.634 -10.550 -1.934 1.00 0.00 O ATOM 0 H ASP A 33 10.938 -9.357 -0.301 1.00 0.00 H new ATOM 0 HA ASP A 33 9.403 -7.344 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.549 -9.377 0.674 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.488 -8.567 -0.462 1.00 0.00 H new ATOM 500 N ASN A 34 9.586 -7.410 1.869 1.00 0.00 N ATOM 501 CA ASN A 34 9.382 -6.755 3.145 1.00 0.00 C ATOM 502 C ASN A 34 10.084 -5.414 3.235 1.00 0.00 C ATOM 503 O ASN A 34 9.504 -4.453 3.737 1.00 0.00 O ATOM 504 CB ASN A 34 9.845 -7.668 4.272 1.00 0.00 C ATOM 505 CG ASN A 34 9.544 -7.136 5.654 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.568 -6.416 5.878 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.374 -7.479 6.588 1.00 0.00 N ATOM 0 H ASN A 34 10.002 -8.336 1.965 1.00 0.00 H new ATOM 0 HA ASN A 34 8.314 -6.558 3.241 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.369 -8.642 4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.920 -7.826 4.180 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.230 -7.152 7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.171 -8.076 6.368 1.00 0.00 H new ATOM 514 N LYS A 35 11.320 -5.306 2.731 1.00 0.00 N ATOM 515 CA LYS A 35 11.994 -4.022 2.808 1.00 0.00 C ATOM 516 C LYS A 35 11.316 -2.964 1.936 1.00 0.00 C ATOM 517 O LYS A 35 11.510 -1.763 2.137 1.00 0.00 O ATOM 518 CB LYS A 35 13.524 -4.069 2.603 1.00 0.00 C ATOM 519 CG LYS A 35 14.057 -4.480 1.237 1.00 0.00 C ATOM 520 CD LYS A 35 15.568 -4.233 1.217 1.00 0.00 C ATOM 521 CE LYS A 35 16.246 -4.586 -0.103 1.00 0.00 C ATOM 522 NZ LYS A 35 16.234 -6.028 -0.384 1.00 0.00 N ATOM 0 H LYS A 35 11.846 -6.058 2.287 1.00 0.00 H new ATOM 0 HA LYS A 35 11.879 -3.715 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.920 -3.080 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.937 -4.756 3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.841 -5.531 1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.568 -3.906 0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.755 -3.182 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.030 -4.814 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.746 -4.059 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.277 -4.234 -0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.141 -6.306 -0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.093 -6.553 0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.460 -6.247 -1.043 1.00 0.00 H new ATOM 536 N LEU A 36 10.527 -3.401 0.972 1.00 0.00 N ATOM 537 CA LEU A 36 9.695 -2.475 0.229 1.00 0.00 C ATOM 538 C LEU A 36 8.475 -2.163 1.059 1.00 0.00 C ATOM 539 O LEU A 36 8.167 -1.008 1.299 1.00 0.00 O ATOM 540 CB LEU A 36 9.253 -3.026 -1.130 1.00 0.00 C ATOM 541 CG LEU A 36 10.347 -3.306 -2.142 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.730 -3.804 -3.433 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.167 -2.053 -2.391 1.00 0.00 C ATOM 0 H LEU A 36 10.445 -4.377 0.688 1.00 0.00 H new ATOM 0 HA LEU A 36 10.286 -1.581 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.703 -3.952 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.554 -2.317 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 36 11.011 -4.075 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.518 -4.005 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.172 -4.720 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.055 -3.046 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.949 -2.269 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.520 -1.265 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.622 -1.725 -1.457 1.00 0.00 H new ATOM 555 N VAL A 37 7.827 -3.219 1.543 1.00 0.00 N ATOM 556 CA VAL A 37 6.608 -3.117 2.360 1.00 0.00 C ATOM 557 C VAL A 37 6.779 -2.102 3.493 1.00 0.00 C ATOM 558 O VAL A 37 5.943 -1.215 3.674 1.00 0.00 O ATOM 559 CB VAL A 37 6.239 -4.482 3.000 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.991 -4.353 3.825 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.052 -5.567 1.962 1.00 0.00 C ATOM 0 H VAL A 37 8.130 -4.179 1.382 1.00 0.00 H new ATOM 0 HA VAL A 37 5.815 -2.794 1.686 1.00 0.00 H new ATOM 0 HB VAL A 37 7.073 -4.771 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.746 -5.319 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.152 -3.622 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.168 -4.025 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.795 -6.504 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.249 -5.284 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.977 -5.696 1.400 1.00 0.00 H new ATOM 571 N ARG A 38 7.891 -2.211 4.202 1.00 0.00 N ATOM 572 CA ARG A 38 8.165 -1.371 5.356 1.00 0.00 C ATOM 573 C ARG A 38 8.155 0.116 5.050 1.00 0.00 C ATOM 574 O ARG A 38 7.687 0.900 5.875 1.00 0.00 O ATOM 575 CB ARG A 38 9.455 -1.763 6.063 1.00 0.00 C ATOM 576 CG ARG A 38 9.434 -3.173 6.598 1.00 0.00 C ATOM 577 CD ARG A 38 10.647 -3.478 7.449 1.00 0.00 C ATOM 578 NE ARG A 38 11.913 -3.221 6.757 1.00 0.00 N ATOM 579 CZ ARG A 38 12.907 -4.099 6.631 1.00 0.00 C ATOM 580 NH1 ARG A 38 12.718 -5.369 6.938 1.00 0.00 N ATOM 581 NH2 ARG A 38 14.069 -3.707 6.148 1.00 0.00 N ATOM 0 H ARG A 38 8.629 -2.884 3.994 1.00 0.00 H new ATOM 0 HA ARG A 38 7.332 -1.555 6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.289 -1.657 5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.635 -1.072 6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.530 -3.322 7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.390 -3.875 5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.607 -2.876 8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.614 -4.523 7.757 1.00 0.00 H new ATOM 0 HE ARG A 38 12.043 -2.299 6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.807 -5.682 7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.483 -6.037 6.840 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.205 -2.734 5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.833 -4.376 6.050 1.00 0.00 H new ATOM 595 N GLU A 39 8.625 0.516 3.866 1.00 0.00 N ATOM 596 CA GLU A 39 8.643 1.936 3.547 1.00 0.00 C ATOM 597 C GLU A 39 7.228 2.406 3.222 1.00 0.00 C ATOM 598 O GLU A 39 6.803 3.492 3.625 1.00 0.00 O ATOM 599 CB GLU A 39 9.644 2.296 2.416 1.00 0.00 C ATOM 600 CG GLU A 39 9.302 1.795 1.026 1.00 0.00 C ATOM 601 CD GLU A 39 10.291 2.275 0.003 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.437 1.752 -0.042 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.967 3.195 -0.771 1.00 0.00 O ATOM 0 H GLU A 39 8.985 -0.102 3.139 1.00 0.00 H new ATOM 0 HA GLU A 39 9.003 2.468 4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.736 3.381 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.623 1.903 2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.280 0.705 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.303 2.134 0.753 1.00 0.00 H new ATOM 610 N PHE A 40 6.474 1.537 2.577 1.00 0.00 N ATOM 611 CA PHE A 40 5.114 1.838 2.210 1.00 0.00 C ATOM 612 C PHE A 40 4.206 1.882 3.445 1.00 0.00 C ATOM 613 O PHE A 40 3.277 2.694 3.510 1.00 0.00 O ATOM 614 CB PHE A 40 4.599 0.865 1.163 1.00 0.00 C ATOM 615 CG PHE A 40 5.290 0.956 -0.192 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.090 2.050 -1.022 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.103 -0.070 -0.641 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.695 2.114 -2.269 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.701 -0.018 -1.886 1.00 0.00 C ATOM 620 CZ PHE A 40 6.500 1.073 -2.702 1.00 0.00 C ATOM 0 H PHE A 40 6.790 0.609 2.296 1.00 0.00 H new ATOM 0 HA PHE A 40 5.098 2.831 1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.712 -0.150 1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.532 1.036 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.456 2.861 -0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.273 -0.927 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.538 2.975 -2.902 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.326 -0.833 -2.219 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.968 1.117 -3.675 1.00 0.00 H new ATOM 630 N GLU A 41 4.490 1.022 4.430 1.00 0.00 N ATOM 631 CA GLU A 41 3.804 1.044 5.728 1.00 0.00 C ATOM 632 C GLU A 41 3.984 2.386 6.426 1.00 0.00 C ATOM 633 O GLU A 41 3.125 2.822 7.164 1.00 0.00 O ATOM 634 CB GLU A 41 4.344 -0.042 6.645 1.00 0.00 C ATOM 635 CG GLU A 41 3.900 -1.455 6.342 1.00 0.00 C ATOM 636 CD GLU A 41 4.562 -2.463 7.251 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.814 -2.587 7.229 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.849 -3.115 8.040 1.00 0.00 O ATOM 0 H GLU A 41 5.199 0.293 4.351 1.00 0.00 H new ATOM 0 HA GLU A 41 2.746 0.873 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.433 -0.010 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.052 0.197 7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.818 -1.526 6.449 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.134 -1.694 5.304 1.00 0.00 H new ATOM 645 N ARG A 42 5.099 3.029 6.182 1.00 0.00 N ATOM 646 CA ARG A 42 5.389 4.307 6.803 1.00 0.00 C ATOM 647 C ARG A 42 4.740 5.443 6.017 1.00 0.00 C ATOM 648 O ARG A 42 4.285 6.422 6.583 1.00 0.00 O ATOM 649 CB ARG A 42 6.890 4.481 6.941 1.00 0.00 C ATOM 650 CG ARG A 42 7.513 3.421 7.833 1.00 0.00 C ATOM 651 CD ARG A 42 9.014 3.488 7.822 1.00 0.00 C ATOM 652 NE ARG A 42 9.625 2.403 8.609 1.00 0.00 N ATOM 653 CZ ARG A 42 10.646 1.632 8.188 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.188 1.837 6.988 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.119 0.662 8.974 1.00 0.00 N ATOM 0 H ARG A 42 5.828 2.689 5.554 1.00 0.00 H new ATOM 0 HA ARG A 42 4.961 4.333 7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.351 4.439 5.954 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.103 5.468 7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.152 3.548 8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.192 2.434 7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.371 3.434 6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.336 4.450 8.221 1.00 0.00 H new ATOM 0 HE ARG A 42 9.248 2.223 9.539 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.830 2.579 6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.961 1.252 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.707 0.505 9.894 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.892 0.078 8.655 1.00 0.00 H new ATOM 669 N LEU A 43 4.669 5.281 4.714 1.00 0.00 N ATOM 670 CA LEU A 43 3.977 6.244 3.856 1.00 0.00 C ATOM 671 C LEU A 43 2.492 6.297 4.200 1.00 0.00 C ATOM 672 O LEU A 43 1.878 7.348 4.198 1.00 0.00 O ATOM 673 CB LEU A 43 4.153 5.874 2.382 1.00 0.00 C ATOM 674 CG LEU A 43 5.565 5.992 1.823 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.614 5.452 0.414 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.012 7.440 1.836 1.00 0.00 C ATOM 0 H LEU A 43 5.080 4.492 4.215 1.00 0.00 H new ATOM 0 HA LEU A 43 4.415 7.227 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.815 4.847 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.495 6.509 1.788 1.00 0.00 H new ATOM 0 HG LEU A 43 6.239 5.407 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.628 5.542 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.318 4.403 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.932 6.021 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.023 7.512 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.335 8.035 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.001 7.815 2.859 1.00 0.00 H new ATOM 688 N THR A 44 1.948 5.163 4.524 1.00 0.00 N ATOM 689 CA THR A 44 0.552 5.038 4.847 1.00 0.00 C ATOM 690 C THR A 44 0.296 5.257 6.320 1.00 0.00 C ATOM 691 O THR A 44 -0.831 5.614 6.719 1.00 0.00 O ATOM 692 CB THR A 44 0.079 3.628 4.475 1.00 0.00 C ATOM 693 OG1 THR A 44 0.995 2.664 4.999 1.00 0.00 O ATOM 694 CG2 THR A 44 0.030 3.467 3.004 1.00 0.00 C ATOM 0 H THR A 44 2.465 4.285 4.573 1.00 0.00 H new ATOM 0 HA THR A 44 0.008 5.798 4.286 1.00 0.00 H new ATOM 0 HB THR A 44 -0.917 3.480 4.893 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.754 2.567 4.386 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.308 2.460 2.759 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.662 4.195 2.581 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.024 3.627 2.587 1.00 0.00 H new ATOM 702 N GLU A 45 1.371 5.089 7.121 1.00 0.00 N ATOM 703 CA GLU A 45 1.288 4.976 8.565 1.00 0.00 C ATOM 704 C GLU A 45 0.356 3.840 8.916 1.00 0.00 C ATOM 705 O GLU A 45 -0.264 3.822 9.976 1.00 0.00 O ATOM 706 CB GLU A 45 0.847 6.274 9.199 1.00 0.00 C ATOM 707 CG GLU A 45 1.897 7.348 9.136 1.00 0.00 C ATOM 708 CD GLU A 45 3.151 6.971 9.908 1.00 0.00 C ATOM 709 OE1 GLU A 45 3.032 6.468 11.052 1.00 0.00 O ATOM 710 OE2 GLU A 45 4.262 7.124 9.382 1.00 0.00 O ATOM 0 H GLU A 45 2.324 5.029 6.763 1.00 0.00 H new ATOM 0 HA GLU A 45 2.279 4.760 8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.056 6.627 8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.584 6.092 10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.157 7.539 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.490 8.276 9.538 1.00 0.00 H new ATOM 717 N HIS A 46 0.323 2.854 8.042 1.00 0.00 N ATOM 718 CA HIS A 46 -0.594 1.791 8.169 1.00 0.00 C ATOM 719 C HIS A 46 0.026 0.650 8.977 1.00 0.00 C ATOM 720 O HIS A 46 1.095 0.135 8.639 1.00 0.00 O ATOM 721 CB HIS A 46 -1.106 1.309 6.792 1.00 0.00 C ATOM 722 CG HIS A 46 -2.326 0.454 6.883 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.383 -0.693 7.607 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.582 0.698 6.478 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.640 -1.089 7.659 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.415 -0.289 6.976 1.00 0.00 N ATOM 0 H HIS A 46 0.939 2.787 7.232 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.465 2.156 8.713 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.324 2.176 6.169 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.315 0.749 6.293 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.893 1.530 5.863 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.984 -1.961 8.196 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.422 -0.374 6.839 1.00 0.00 H new ATOM 734 N PRO A 47 -0.671 0.244 10.035 1.00 0.00 N ATOM 735 CA PRO A 47 -0.244 -0.799 10.953 1.00 0.00 C ATOM 736 C PRO A 47 -0.016 -2.125 10.271 1.00 0.00 C ATOM 737 O PRO A 47 1.081 -2.641 10.225 1.00 0.00 O ATOM 738 CB PRO A 47 -1.439 -0.941 11.898 1.00 0.00 C ATOM 739 CG PRO A 47 -2.543 -0.169 11.320 1.00 0.00 C ATOM 740 CD PRO A 47 -1.944 0.815 10.431 1.00 0.00 C ATOM 0 HA PRO A 47 0.701 -0.539 11.430 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.719 -1.989 12.009 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.189 -0.570 12.892 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.226 -0.820 10.773 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.125 0.319 12.102 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.579 1.001 9.565 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.807 1.771 10.937 1.00 0.00 H new ATOM 748 N ASP A 48 -1.064 -2.602 9.664 1.00 0.00 N ATOM 749 CA ASP A 48 -1.131 -3.889 9.063 1.00 0.00 C ATOM 750 C ASP A 48 -0.675 -3.804 7.645 1.00 0.00 C ATOM 751 O ASP A 48 -0.975 -4.675 6.873 1.00 0.00 O ATOM 752 CB ASP A 48 -2.586 -4.390 9.038 1.00 0.00 C ATOM 753 CG ASP A 48 -3.253 -4.494 10.380 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.733 -3.469 10.900 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.363 -5.604 10.912 1.00 0.00 O ATOM 0 H ASP A 48 -1.932 -2.074 9.574 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.501 -4.565 9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.173 -3.720 8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.607 -5.371 8.563 1.00 0.00 H new ATOM 760 N GLY A 49 0.063 -2.740 7.304 1.00 0.00 N ATOM 761 CA GLY A 49 0.534 -2.544 5.907 1.00 0.00 C ATOM 762 C GLY A 49 1.259 -3.733 5.362 1.00 0.00 C ATOM 763 O GLY A 49 1.225 -3.997 4.170 1.00 0.00 O ATOM 0 H GLY A 49 0.348 -2.008 7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.322 -2.323 5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.192 -1.676 5.870 1.00 0.00 H new ATOM 767 N SER A 50 1.862 -4.470 6.231 1.00 0.00 N ATOM 768 CA SER A 50 2.538 -5.672 5.831 1.00 0.00 C ATOM 769 C SER A 50 1.555 -6.827 5.728 1.00 0.00 C ATOM 770 O SER A 50 1.473 -7.512 4.693 1.00 0.00 O ATOM 771 CB SER A 50 3.676 -5.962 6.780 1.00 0.00 C ATOM 772 OG SER A 50 3.266 -5.735 8.116 1.00 0.00 O ATOM 0 H SER A 50 1.905 -4.266 7.230 1.00 0.00 H new ATOM 0 HA SER A 50 2.968 -5.536 4.839 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.003 -6.995 6.663 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.530 -5.328 6.541 1.00 0.00 H new ATOM 0 HG SER A 50 3.436 -4.800 8.356 1.00 0.00 H new ATOM 778 N ASP A 51 0.773 -6.995 6.780 1.00 0.00 N ATOM 779 CA ASP A 51 -0.244 -8.032 6.876 1.00 0.00 C ATOM 780 C ASP A 51 -1.232 -7.963 5.717 1.00 0.00 C ATOM 781 O ASP A 51 -1.715 -8.976 5.279 1.00 0.00 O ATOM 782 CB ASP A 51 -1.004 -7.947 8.210 1.00 0.00 C ATOM 783 CG ASP A 51 -0.142 -8.191 9.428 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.046 -9.360 9.812 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.342 -7.214 10.049 1.00 0.00 O ATOM 0 H ASP A 51 0.827 -6.403 7.609 1.00 0.00 H new ATOM 0 HA ASP A 51 0.278 -8.988 6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.461 -6.961 8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.815 -8.675 8.201 1.00 0.00 H new ATOM 790 N LEU A 52 -1.489 -6.758 5.208 1.00 0.00 N ATOM 791 CA LEU A 52 -2.407 -6.544 4.075 1.00 0.00 C ATOM 792 C LEU A 52 -1.943 -7.279 2.848 1.00 0.00 C ATOM 793 O LEU A 52 -2.729 -7.889 2.139 1.00 0.00 O ATOM 794 CB LEU A 52 -2.490 -5.062 3.682 1.00 0.00 C ATOM 795 CG LEU A 52 -2.947 -4.076 4.728 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.103 -2.710 4.094 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.233 -4.541 5.388 1.00 0.00 C ATOM 0 H LEU A 52 -1.070 -5.899 5.565 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.377 -6.910 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.503 -4.752 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.164 -4.980 2.829 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.196 -4.009 5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.433 -1.995 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.146 -2.388 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.842 -2.762 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.541 -3.813 6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.014 -4.638 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.068 -5.507 5.866 1.00 0.00 H new ATOM 809 N ILE A 53 -0.654 -7.228 2.622 1.00 0.00 N ATOM 810 CA ILE A 53 -0.075 -7.757 1.401 1.00 0.00 C ATOM 811 C ILE A 53 0.066 -9.232 1.523 1.00 0.00 C ATOM 812 O ILE A 53 -0.153 -9.993 0.569 1.00 0.00 O ATOM 813 CB ILE A 53 1.310 -7.130 1.147 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.183 -5.614 1.147 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.907 -7.623 -0.185 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.494 -4.906 1.116 1.00 0.00 C ATOM 0 H ILE A 53 0.023 -6.824 3.269 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.730 -7.514 0.565 1.00 0.00 H new ATOM 0 HB ILE A 53 1.987 -7.437 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.593 -5.307 0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.633 -5.304 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.884 -7.164 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.016 -8.707 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.244 -7.347 -1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.326 -3.829 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.078 -5.184 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.038 -5.187 0.214 1.00 0.00 H new ATOM 828 N TYR A 54 0.394 -9.636 2.703 1.00 0.00 N ATOM 829 CA TYR A 54 0.620 -11.002 2.982 1.00 0.00 C ATOM 830 C TYR A 54 -0.695 -11.759 3.102 1.00 0.00 C ATOM 831 O TYR A 54 -0.825 -12.866 2.575 1.00 0.00 O ATOM 832 CB TYR A 54 1.465 -11.150 4.248 1.00 0.00 C ATOM 833 CG TYR A 54 2.823 -10.459 4.195 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.518 -10.308 2.996 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.402 -9.953 5.349 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.738 -9.672 2.952 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.626 -9.317 5.312 1.00 0.00 C ATOM 838 CZ TYR A 54 5.288 -9.178 4.109 1.00 0.00 C ATOM 839 OH TYR A 54 6.496 -8.541 4.069 1.00 0.00 O ATOM 0 H TYR A 54 0.512 -9.017 3.505 1.00 0.00 H new ATOM 0 HA TYR A 54 1.173 -11.439 2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.903 -10.751 5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.620 -12.211 4.442 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.091 -10.698 2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.886 -10.058 6.292 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.260 -9.562 2.013 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.064 -8.930 6.220 1.00 0.00 H new ATOM 0 HH TYR A 54 6.743 -8.251 4.972 1.00 0.00 H new ATOM 849 N TYR A 55 -1.673 -11.164 3.760 1.00 0.00 N ATOM 850 CA TYR A 55 -2.958 -11.810 3.988 1.00 0.00 C ATOM 851 C TYR A 55 -4.107 -10.785 3.888 1.00 0.00 C ATOM 852 O TYR A 55 -4.400 -10.081 4.867 1.00 0.00 O ATOM 853 CB TYR A 55 -3.004 -12.464 5.395 1.00 0.00 C ATOM 854 CG TYR A 55 -1.814 -13.342 5.717 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.705 -14.622 5.195 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.785 -12.870 6.527 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.604 -15.413 5.472 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.315 -13.650 6.804 1.00 0.00 C ATOM 859 CZ TYR A 55 0.403 -14.920 6.278 1.00 0.00 C ATOM 860 OH TYR A 55 1.515 -15.693 6.550 1.00 0.00 O ATOM 0 H TYR A 55 -1.603 -10.224 4.151 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.079 -12.577 3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.073 -11.677 6.146 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.912 -13.061 5.475 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.491 -15.007 4.563 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.851 -11.876 6.945 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.533 -16.409 5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.106 -13.267 7.432 1.00 0.00 H new ATOM 0 HH TYR A 55 2.126 -15.194 7.131 1.00 0.00 H new ATOM 870 N PRO A 56 -4.707 -10.611 2.700 1.00 0.00 N ATOM 871 CA PRO A 56 -5.902 -9.777 2.540 1.00 0.00 C ATOM 872 C PRO A 56 -7.064 -10.416 3.300 1.00 0.00 C ATOM 873 O PRO A 56 -7.647 -11.393 2.836 1.00 0.00 O ATOM 874 CB PRO A 56 -6.157 -9.781 1.028 1.00 0.00 C ATOM 875 CG PRO A 56 -4.855 -10.200 0.435 1.00 0.00 C ATOM 876 CD PRO A 56 -4.256 -11.159 1.423 1.00 0.00 C ATOM 0 HA PRO A 56 -5.788 -8.765 2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.956 -10.473 0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.457 -8.795 0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.000 -10.675 -0.535 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.202 -9.342 0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.612 -12.177 1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.169 -11.188 1.354 1.00 0.00 H new ATOM 884 N ARG A 57 -7.353 -9.827 4.466 1.00 0.00 N ATOM 885 CA ARG A 57 -8.237 -10.341 5.558 1.00 0.00 C ATOM 886 C ARG A 57 -9.444 -11.256 5.146 1.00 0.00 C ATOM 887 O ARG A 57 -9.257 -12.363 4.655 1.00 0.00 O ATOM 888 CB ARG A 57 -8.730 -9.134 6.381 1.00 0.00 C ATOM 889 CG ARG A 57 -7.609 -8.265 6.947 1.00 0.00 C ATOM 890 CD ARG A 57 -8.140 -7.103 7.783 1.00 0.00 C ATOM 891 NE ARG A 57 -9.013 -6.186 7.029 1.00 0.00 N ATOM 892 CZ ARG A 57 -10.232 -5.798 7.419 1.00 0.00 C ATOM 893 NH1 ARG A 57 -10.762 -6.266 8.542 1.00 0.00 N ATOM 894 NH2 ARG A 57 -10.891 -4.916 6.694 1.00 0.00 N ATOM 0 H ARG A 57 -6.957 -8.917 4.703 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.612 -11.023 6.134 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.371 -8.517 5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.345 -9.496 7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.951 -8.880 7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.007 -7.874 6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.693 -7.501 8.634 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.297 -6.541 8.186 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.662 -5.820 6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.239 -6.927 9.116 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.692 -5.964 8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.470 -4.537 5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.821 -4.613 6.982 1.00 0.00 H new ATOM 908 N ASP A 58 -10.655 -10.819 5.409 1.00 0.00 N ATOM 909 CA ASP A 58 -11.850 -11.588 5.021 1.00 0.00 C ATOM 910 C ASP A 58 -12.736 -10.751 4.132 1.00 0.00 C ATOM 911 O ASP A 58 -12.954 -11.056 2.965 1.00 0.00 O ATOM 912 CB ASP A 58 -12.630 -12.080 6.255 1.00 0.00 C ATOM 913 CG ASP A 58 -13.824 -12.946 5.896 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.920 -12.404 5.639 1.00 0.00 O ATOM 915 OD2 ASP A 58 -13.693 -14.195 5.873 1.00 0.00 O ATOM 0 H ASP A 58 -10.854 -9.940 5.887 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.522 -12.469 4.469 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.958 -12.646 6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.972 -11.219 6.829 1.00 0.00 H new ATOM 920 N ASP A 59 -13.229 -9.676 4.727 1.00 0.00 N ATOM 921 CA ASP A 59 -14.087 -8.673 4.088 1.00 0.00 C ATOM 922 C ASP A 59 -13.376 -8.045 2.920 1.00 0.00 C ATOM 923 O ASP A 59 -13.970 -7.750 1.880 1.00 0.00 O ATOM 924 CB ASP A 59 -14.420 -7.580 5.120 1.00 0.00 C ATOM 925 CG ASP A 59 -15.144 -6.382 4.538 1.00 0.00 C ATOM 926 OD1 ASP A 59 -16.397 -6.397 4.462 1.00 0.00 O ATOM 927 OD2 ASP A 59 -14.474 -5.393 4.170 1.00 0.00 O ATOM 0 H ASP A 59 -13.039 -9.464 5.706 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.998 -9.153 3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.034 -8.015 5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.495 -7.241 5.586 1.00 0.00 H new ATOM 932 N ARG A 60 -12.093 -7.876 3.087 1.00 0.00 N ATOM 933 CA ARG A 60 -11.299 -7.257 2.133 1.00 0.00 C ATOM 934 C ARG A 60 -10.999 -8.190 0.990 1.00 0.00 C ATOM 935 O ARG A 60 -10.698 -9.375 1.190 1.00 0.00 O ATOM 936 CB ARG A 60 -10.035 -6.795 2.777 1.00 0.00 C ATOM 937 CG ARG A 60 -9.131 -6.041 1.867 1.00 0.00 C ATOM 938 CD ARG A 60 -9.791 -4.750 1.393 1.00 0.00 C ATOM 939 NE ARG A 60 -10.198 -3.894 2.504 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.127 -2.921 2.443 1.00 0.00 C ATOM 941 NH1 ARG A 60 -11.891 -2.791 1.364 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.304 -2.108 3.480 1.00 0.00 N ATOM 0 H ARG A 60 -11.586 -8.181 3.918 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.836 -6.401 1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.284 -6.163 3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.501 -7.661 3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.199 -5.810 2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.874 -6.660 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.098 -4.205 0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.663 -4.992 0.786 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.740 -4.046 3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.775 -3.430 0.577 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.593 -2.053 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.737 -2.222 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.007 -1.370 3.436 1.00 0.00 H new ATOM 956 N GLU A 61 -11.091 -7.641 -0.175 1.00 0.00 N ATOM 957 CA GLU A 61 -10.829 -8.326 -1.410 1.00 0.00 C ATOM 958 C GLU A 61 -9.365 -8.731 -1.485 1.00 0.00 C ATOM 959 O GLU A 61 -8.470 -7.957 -1.099 1.00 0.00 O ATOM 960 CB GLU A 61 -11.128 -7.385 -2.561 1.00 0.00 C ATOM 961 CG GLU A 61 -11.035 -8.020 -3.940 1.00 0.00 C ATOM 962 CD GLU A 61 -12.012 -9.152 -4.124 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.172 -8.891 -4.509 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.638 -10.333 -3.895 1.00 0.00 O ATOM 0 H GLU A 61 -11.361 -6.666 -0.305 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.454 -9.217 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.131 -6.979 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.435 -6.545 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.219 -7.260 -4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.022 -8.390 -4.098 1.00 0.00 H new ATOM 971 N ASP A 62 -9.125 -9.911 -1.984 1.00 0.00 N ATOM 972 CA ASP A 62 -7.778 -10.385 -2.179 1.00 0.00 C ATOM 973 C ASP A 62 -7.324 -9.985 -3.567 1.00 0.00 C ATOM 974 O ASP A 62 -7.475 -10.742 -4.524 1.00 0.00 O ATOM 975 CB ASP A 62 -7.682 -11.920 -1.995 1.00 0.00 C ATOM 976 CG ASP A 62 -6.271 -12.491 -2.197 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.834 -12.669 -3.356 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.598 -12.822 -1.207 1.00 0.00 O ATOM 0 H ASP A 62 -9.850 -10.570 -2.266 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.129 -9.934 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.026 -12.177 -0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.361 -12.402 -2.698 1.00 0.00 H new ATOM 983 N SER A 63 -6.951 -8.744 -3.717 1.00 0.00 N ATOM 984 CA SER A 63 -6.393 -8.296 -4.951 1.00 0.00 C ATOM 985 C SER A 63 -5.404 -7.192 -4.646 1.00 0.00 C ATOM 986 O SER A 63 -5.488 -6.595 -3.563 1.00 0.00 O ATOM 987 CB SER A 63 -7.517 -7.798 -5.877 1.00 0.00 C ATOM 988 OG SER A 63 -8.207 -6.688 -5.322 1.00 0.00 O ATOM 0 H SER A 63 -7.026 -8.028 -2.995 1.00 0.00 H new ATOM 0 HA SER A 63 -5.878 -9.109 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.095 -7.518 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.222 -8.609 -6.061 1.00 0.00 H new ATOM 0 HG SER A 63 -8.912 -6.399 -5.939 1.00 0.00 H new ATOM 994 N PRO A 64 -4.433 -6.899 -5.556 1.00 0.00 N ATOM 995 CA PRO A 64 -3.520 -5.760 -5.388 1.00 0.00 C ATOM 996 C PRO A 64 -4.330 -4.472 -5.170 1.00 0.00 C ATOM 997 O PRO A 64 -3.963 -3.617 -4.382 1.00 0.00 O ATOM 998 CB PRO A 64 -2.762 -5.722 -6.743 1.00 0.00 C ATOM 999 CG PRO A 64 -2.773 -7.132 -7.191 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.110 -7.684 -6.769 1.00 0.00 C ATOM 0 HA PRO A 64 -2.851 -5.848 -4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.259 -5.070 -7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.745 -5.348 -6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.645 -7.200 -8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.957 -7.693 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.863 -7.553 -7.546 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.056 -8.751 -6.555 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.476 -4.408 -5.821 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.356 -3.266 -5.730 1.00 0.00 C ATOM 1010 C GLU A 65 -7.030 -3.213 -4.357 1.00 0.00 C ATOM 1011 O GLU A 65 -7.085 -2.156 -3.727 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.412 -3.330 -6.820 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.852 -3.550 -8.211 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.909 -3.451 -9.265 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.732 -4.367 -9.387 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -7.935 -2.451 -9.989 1.00 0.00 O ATOM 0 H GLU A 65 -5.821 -5.151 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.760 -2.363 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.109 -4.135 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.983 -2.402 -6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.073 -2.813 -8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.382 -4.532 -8.261 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.514 -4.364 -3.897 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.180 -4.461 -2.613 1.00 0.00 C ATOM 1025 C GLY A 66 -7.256 -4.162 -1.449 1.00 0.00 C ATOM 1026 O GLY A 66 -7.679 -3.605 -0.446 1.00 0.00 O ATOM 0 H GLY A 66 -7.453 -5.247 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.021 -3.767 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.591 -5.464 -2.497 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.004 -4.519 -1.583 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.000 -4.209 -0.569 1.00 0.00 C ATOM 1032 C ILE A 67 -4.847 -2.685 -0.434 1.00 0.00 C ATOM 1033 O ILE A 67 -4.835 -2.134 0.675 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.651 -4.881 -0.929 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.809 -6.409 -0.838 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.516 -4.388 -0.026 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.617 -7.187 -1.329 1.00 0.00 C ATOM 0 H ILE A 67 -5.643 -5.030 -2.389 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.324 -4.605 0.393 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.382 -4.606 -1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.003 -6.681 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.685 -6.707 -1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.586 -4.881 -0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.404 -3.310 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.750 -4.622 1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.813 -8.255 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.433 -6.948 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.741 -6.922 -0.737 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.802 -2.023 -1.567 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.726 -0.568 -1.630 1.00 0.00 C ATOM 1051 C VAL A 68 -6.024 0.040 -1.104 1.00 0.00 C ATOM 1052 O VAL A 68 -6.028 1.092 -0.454 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.455 -0.120 -3.083 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.436 1.398 -3.216 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.142 -0.689 -3.511 1.00 0.00 C ATOM 0 H VAL A 68 -4.817 -2.475 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.904 -0.218 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.260 -0.485 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.242 1.670 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.401 1.802 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.652 1.809 -2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.930 -0.385 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.354 -0.321 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.182 -1.777 -3.456 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.108 -0.661 -1.351 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.414 -0.271 -0.906 1.00 0.00 C ATOM 1067 C LYS A 69 -8.485 -0.246 0.601 1.00 0.00 C ATOM 1068 O LYS A 69 -9.097 0.642 1.163 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.444 -1.227 -1.406 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.841 -0.741 -1.162 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.442 -0.079 -2.382 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.812 1.284 -2.716 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.453 1.883 -3.907 1.00 0.00 N ATOM 0 H LYS A 69 -7.099 -1.534 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.607 0.727 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.299 -1.387 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.307 -2.192 -0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.468 -1.581 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.837 -0.034 -0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.327 -0.743 -3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.512 0.054 -2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.917 1.956 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.744 1.161 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.012 2.802 -4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.331 1.249 -4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.468 2.020 -3.723 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.847 -1.221 1.251 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.838 -1.293 2.708 1.00 0.00 C ATOM 1089 C GLU A 70 -7.243 -0.007 3.246 1.00 0.00 C ATOM 1090 O GLU A 70 -7.858 0.676 4.053 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.016 -2.490 3.192 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.182 -2.797 4.677 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.556 -3.305 4.998 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.809 -4.513 4.834 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.433 -2.517 5.357 1.00 0.00 O ATOM 0 H GLU A 70 -7.331 -1.970 0.789 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.858 -1.421 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.301 -3.370 2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.962 -2.301 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.442 -3.539 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.984 -1.896 5.257 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.073 0.333 2.717 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.358 1.557 3.035 1.00 0.00 C ATOM 1104 C ILE A 71 -6.195 2.799 2.725 1.00 0.00 C ATOM 1105 O ILE A 71 -6.230 3.756 3.508 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.012 1.572 2.273 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.057 0.655 3.003 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.425 2.975 2.156 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.856 0.259 2.228 1.00 0.00 C ATOM 0 H ILE A 71 -5.586 -0.252 2.038 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.160 1.581 4.107 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.178 1.227 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.734 1.147 3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.595 -0.246 3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.481 2.930 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.123 3.618 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.252 3.381 3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.232 -0.398 2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.163 -0.266 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.289 1.149 1.956 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.852 2.775 1.591 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.741 3.840 1.172 1.00 0.00 C ATOM 1123 C LYS A 72 -8.883 4.056 2.170 1.00 0.00 C ATOM 1124 O LYS A 72 -9.023 5.150 2.727 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.248 3.588 -0.275 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.469 4.403 -0.679 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.611 4.607 -2.170 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.500 5.477 -2.699 1.00 0.00 C ATOM 1129 NZ LYS A 72 -8.811 6.021 -4.022 1.00 0.00 N ATOM 0 H LYS A 72 -6.786 2.008 0.922 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.176 4.772 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.438 3.806 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.485 2.529 -0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.364 3.906 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.419 5.377 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.596 3.642 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.575 5.067 -2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.319 6.297 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.579 4.896 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.386 6.965 -4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.426 5.392 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.842 6.093 -4.134 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.637 3.008 2.438 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.779 3.088 3.338 1.00 0.00 C ATOM 1145 C GLU A 73 -10.334 3.401 4.774 1.00 0.00 C ATOM 1146 O GLU A 73 -11.011 4.127 5.500 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.575 1.779 3.314 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.021 1.331 1.929 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.842 2.363 1.204 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.070 2.384 1.372 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.278 3.153 0.433 1.00 0.00 O ATOM 0 H GLU A 73 -9.480 2.081 2.043 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.418 3.900 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.966 0.991 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.456 1.894 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.141 1.092 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.603 0.414 2.021 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.187 2.869 5.152 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.636 3.030 6.490 1.00 0.00 C ATOM 1160 C TRP A 74 -8.256 4.476 6.745 1.00 0.00 C ATOM 1161 O TRP A 74 -8.714 5.086 7.711 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.413 2.137 6.629 1.00 0.00 C ATOM 1163 CG TRP A 74 -6.812 2.051 7.989 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.225 1.253 9.010 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.658 2.750 8.464 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.396 1.399 10.084 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.424 2.314 9.776 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -4.799 3.704 7.902 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.365 2.783 10.531 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.745 4.179 8.651 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.532 3.717 9.948 1.00 0.00 C ATOM 0 H TRP A 74 -8.603 2.306 4.534 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.389 2.745 7.225 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -7.686 1.131 6.311 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.648 2.493 5.939 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.084 0.599 8.976 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.486 0.906 10.973 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.961 4.062 6.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.196 2.432 11.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.078 4.916 8.229 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.694 4.099 10.512 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.458 5.043 5.853 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.991 6.406 6.026 1.00 0.00 C ATOM 1184 C ARG A 75 -8.135 7.387 5.956 1.00 0.00 C ATOM 1185 O ARG A 75 -8.150 8.369 6.684 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.917 6.763 5.020 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.665 5.918 5.146 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.652 6.301 4.106 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.253 6.283 2.767 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.953 7.128 1.769 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.981 8.029 1.909 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.643 7.096 0.653 1.00 0.00 N ATOM 0 H ARG A 75 -7.123 4.582 5.007 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.547 6.470 7.019 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.321 6.651 4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.651 7.813 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.236 6.043 6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.921 4.864 5.039 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.260 7.295 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.809 5.612 4.141 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.957 5.569 2.580 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.456 8.081 2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.762 8.666 1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.407 6.429 0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.415 7.738 -0.106 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.118 7.088 5.126 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.295 7.934 4.989 1.00 0.00 C ATOM 1208 C ALA A 76 -11.149 7.902 6.258 1.00 0.00 C ATOM 1209 O ALA A 76 -11.839 8.874 6.581 1.00 0.00 O ATOM 1210 CB ALA A 76 -11.115 7.512 3.785 1.00 0.00 C ATOM 0 H ALA A 76 -9.126 6.259 4.531 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.957 8.959 4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.991 8.155 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.509 7.600 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.435 6.477 3.907 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.075 6.806 6.991 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.840 6.651 8.209 1.00 0.00 C ATOM 1218 C ALA A 77 -11.091 7.317 9.322 1.00 0.00 C ATOM 1219 O ALA A 77 -11.645 8.051 10.121 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.068 5.183 8.523 1.00 0.00 C ATOM 0 H ALA A 77 -10.487 6.005 6.759 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.820 7.114 8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.645 5.093 9.443 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.616 4.717 7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.107 4.684 8.647 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.793 7.087 9.319 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.886 7.638 10.300 1.00 0.00 C ATOM 1228 C ASN A 78 -8.751 9.149 10.187 1.00 0.00 C ATOM 1229 O ASN A 78 -8.355 9.810 11.136 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.503 6.984 10.201 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.368 5.633 10.915 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.303 5.319 11.446 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.404 4.827 10.913 1.00 0.00 N ATOM 0 H ASN A 78 -9.333 6.501 8.622 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.319 7.417 11.275 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.258 6.847 9.148 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.764 7.671 10.613 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.339 3.912 11.360 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.274 5.115 10.465 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.067 9.686 9.030 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.975 11.116 8.830 1.00 0.00 C ATOM 1242 C GLY A 79 -7.594 11.514 8.386 1.00 0.00 C ATOM 1243 O GLY A 79 -7.148 12.636 8.617 1.00 0.00 O ATOM 0 H GLY A 79 -9.388 9.159 8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.705 11.429 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.225 11.633 9.757 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.933 10.595 7.734 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.602 10.758 7.280 1.00 0.00 C ATOM 1249 C LYS A 80 -5.577 11.077 5.796 1.00 0.00 C ATOM 1250 O LYS A 80 -6.634 11.158 5.163 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.833 9.490 7.618 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.595 9.387 9.118 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.943 8.092 9.574 1.00 0.00 C ATOM 1254 CE LYS A 80 -2.578 7.826 8.938 1.00 0.00 C ATOM 1255 NZ LYS A 80 -1.627 8.978 9.059 1.00 0.00 N ATOM 0 H LYS A 80 -7.332 9.685 7.503 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.124 11.602 7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.389 8.619 7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.878 9.487 7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.968 10.222 9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.550 9.496 9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.829 8.116 10.658 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.609 7.261 9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.133 6.947 9.405 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.717 7.590 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.702 8.707 8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.000 9.793 8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.518 9.234 10.061 1.00 0.00 H new ATOM 1269 N SER A 81 -4.386 11.266 5.264 1.00 0.00 N ATOM 1270 CA SER A 81 -4.132 11.618 3.892 1.00 0.00 C ATOM 1271 C SER A 81 -4.798 10.664 2.879 1.00 0.00 C ATOM 1272 O SER A 81 -5.204 9.541 3.219 1.00 0.00 O ATOM 1273 CB SER A 81 -2.637 11.565 3.713 1.00 0.00 C ATOM 1274 OG SER A 81 -1.973 12.367 4.673 1.00 0.00 O ATOM 0 H SER A 81 -3.529 11.172 5.810 1.00 0.00 H new ATOM 0 HA SER A 81 -4.554 12.604 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.295 10.534 3.799 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.377 11.904 2.710 1.00 0.00 H new ATOM 0 HG SER A 81 -1.005 12.311 4.533 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.881 11.117 1.646 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.425 10.335 0.569 1.00 0.00 C ATOM 1282 C GLY A 82 -4.371 10.084 -0.487 1.00 0.00 C ATOM 1283 O GLY A 82 -3.171 10.039 -0.163 1.00 0.00 O ATOM 0 H GLY A 82 -4.569 12.047 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.797 9.385 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.275 10.855 0.127 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.794 9.829 -1.701 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.914 9.684 -2.815 1.00 0.00 C ATOM 1289 C PHE A 83 -4.074 10.881 -3.744 1.00 0.00 C ATOM 1290 O PHE A 83 -4.885 11.778 -3.499 1.00 0.00 O ATOM 1291 CB PHE A 83 -4.213 8.400 -3.598 1.00 0.00 C ATOM 1292 CG PHE A 83 -4.036 7.120 -2.821 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.781 6.762 -2.377 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.111 6.259 -2.554 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.583 5.593 -1.684 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.906 5.082 -1.855 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.639 4.750 -1.421 1.00 0.00 C ATOM 0 H PHE A 83 -5.780 9.716 -1.938 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.893 9.628 -2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.239 8.446 -3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.565 8.368 -4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.941 7.411 -2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.103 6.516 -2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.592 5.333 -1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.737 4.424 -1.649 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.476 3.832 -0.877 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.302 10.893 -4.778 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.346 11.914 -5.790 1.00 0.00 C ATOM 1309 C LYS A 84 -4.151 11.397 -6.989 1.00 0.00 C ATOM 1310 O LYS A 84 -4.344 10.186 -7.151 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.913 12.182 -6.266 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.757 13.291 -7.318 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.441 13.176 -8.077 1.00 0.00 C ATOM 1314 CE LYS A 84 0.759 13.283 -7.169 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.018 12.980 -7.878 1.00 0.00 N ATOM 0 H LYS A 84 -2.600 10.175 -4.955 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.802 12.818 -5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.304 12.440 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.507 11.257 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.587 13.242 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.810 14.264 -6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.411 12.222 -8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.392 13.959 -8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.810 14.289 -6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.641 12.597 -6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.763 12.765 -7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.877 12.159 -8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.302 13.802 -8.448 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.640 12.300 -7.781 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.197 12.001 -9.062 1.00 0.00 C ATOM 1331 C GLN A 85 -4.565 12.962 -10.058 1.00 0.00 C ATOM 1332 O GLN A 85 -4.835 14.169 -10.041 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.748 12.039 -9.081 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.418 13.345 -8.636 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.385 13.581 -7.135 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.499 12.536 -6.357 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -7.318 14.720 -6.685 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.663 13.293 -7.547 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.966 10.971 -9.335 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.080 11.816 -10.095 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.114 11.235 -8.442 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.927 14.181 -9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.456 13.340 -8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.229 15.514 -7.319 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.351 14.873 -5.677 1.00 0.00 H new ATOM 1346 N GLY A 86 -3.661 12.454 -10.842 1.00 0.00 N ATOM 1347 CA GLY A 86 -2.906 13.258 -11.745 1.00 0.00 C ATOM 1348 C GLY A 86 -1.708 12.481 -12.167 1.00 0.00 C ATOM 1349 O GLY A 86 -1.828 11.243 -12.258 1.00 0.00 O ATOM 1350 OXT GLY A 86 -0.626 13.061 -12.355 1.00 0.00 O ATOM 0 H GLY A 86 -3.428 11.461 -10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.510 13.526 -12.612 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.606 14.189 -11.265 1.00 0.00 H new TER 1354 GLY A 86