USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 617 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 47 TYR OH : rot -15:sc= -0.316 USER MOD Set 1.2: A 48 ASN : amide:sc= -2.82 K(o=-3.1,f=-0.91) USER MOD Set 2.1: A 7 ASN : amide:sc= -1.23! C(o=-5.2!,f=-17!) USER MOD Set 2.2: A 14 TYR OH : rot -5:sc= 1.38 USER MOD Set 2.3: A 36 CYS SG : rot -14:sc= -5.38! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -135:sc= 1.25 USER MOD Single : A 23 MET CE :methyl 173:sc= 0 (180deg=-0.0615) USER MOD Single : A 26 THR OG1 : rot -86:sc= -1.66! USER MOD Single : A 33 GLN : amide:sc= -0.619 K(o=-0.62,f=-0.068) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -89:sc= 1.16 USER MOD Single : A 42 LYS NZ :NH3+ -151:sc= 0.958 (180deg=0.334) USER MOD Single : A 43 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-10!) USER MOD Single : A 46 TYR OH : rot -140:sc= -1.82! USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -37:sc= 0.227 USER MOD Single : A 55 ASN : amide:sc= 0.716 K(o=0.72,f=-3.5!) USER MOD Single : A 57 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 58 GLN : amide:sc= -1.94! C(o=-1.9!,f=-9.1!) USER MOD Single : A 59 SER OG : rot 88:sc= 0.982 USER MOD Single : A 61 LYS NZ :NH3+ -129:sc= -0.309 (180deg=-3.03!) USER MOD Single : A 66 LYS NZ :NH3+ -109:sc= 0.892 (180deg=-0.173) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0723) USER MOD Single : A 78 SER OG : rot -94:sc= 0.0754 USER MOD Single : A 79 ASN : amide:sc= -0.315 K(o=-0.32,f=-3.1!) USER MOD Single : A 80 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -11.691 2.698 -4.956 1.00 0.00 N ATOM 2 CA ASP A 2 -11.295 1.304 -5.157 1.00 0.00 C ATOM 3 C ASP A 2 -9.870 1.155 -5.724 1.00 0.00 C ATOM 4 O ASP A 2 -9.651 1.091 -6.931 1.00 0.00 O ATOM 5 CB ASP A 2 -12.360 0.493 -5.936 1.00 0.00 C ATOM 6 CG ASP A 2 -12.713 0.991 -7.325 1.00 0.00 C ATOM 7 OD1 ASP A 2 -13.655 1.800 -7.436 1.00 0.00 O ATOM 8 OD2 ASP A 2 -12.111 0.514 -8.310 1.00 0.00 O ATOM 0 HA ASP A 2 -11.250 0.854 -4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.009 -0.535 -6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.273 0.470 -5.341 1.00 0.00 H new ATOM 13 N LEU A 3 -8.906 1.047 -4.798 1.00 0.00 N ATOM 14 CA LEU A 3 -7.483 0.953 -5.136 1.00 0.00 C ATOM 15 C LEU A 3 -7.020 -0.498 -5.124 1.00 0.00 C ATOM 16 O LEU A 3 -7.619 -1.337 -4.450 1.00 0.00 O ATOM 17 CB LEU A 3 -6.598 1.750 -4.177 1.00 0.00 C ATOM 18 CG LEU A 3 -6.171 1.060 -2.892 1.00 0.00 C ATOM 19 CD1 LEU A 3 -4.940 1.758 -2.353 1.00 0.00 C ATOM 20 CD2 LEU A 3 -7.286 1.080 -1.866 1.00 0.00 C ATOM 0 H LEU A 3 -9.093 1.023 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.381 1.377 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.698 2.048 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.127 2.665 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.942 0.016 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.622 1.273 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.138 1.700 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.173 2.804 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.953 0.580 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.550 2.112 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.158 0.563 -2.266 1.00 0.00 H new ATOM 32 N THR A 4 -5.956 -0.790 -5.863 1.00 0.00 N ATOM 33 CA THR A 4 -5.562 -2.161 -6.112 1.00 0.00 C ATOM 34 C THR A 4 -4.363 -2.520 -5.286 1.00 0.00 C ATOM 35 O THR A 4 -3.303 -1.939 -5.462 1.00 0.00 O ATOM 36 CB THR A 4 -5.150 -2.349 -7.569 1.00 0.00 C ATOM 37 OG1 THR A 4 -6.098 -1.708 -8.433 1.00 0.00 O ATOM 38 CG2 THR A 4 -5.046 -3.825 -7.922 1.00 0.00 C ATOM 0 H THR A 4 -5.354 -0.091 -6.298 1.00 0.00 H new ATOM 0 HA THR A 4 -6.418 -2.788 -5.863 1.00 0.00 H new ATOM 0 HB THR A 4 -4.169 -1.894 -7.706 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.826 -1.832 -9.366 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.751 -3.929 -8.966 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.300 -4.300 -7.285 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.013 -4.305 -7.768 1.00 0.00 H new ATOM 46 N ILE A 5 -4.472 -3.462 -4.396 1.00 0.00 N ATOM 47 CA ILE A 5 -3.285 -3.897 -3.731 1.00 0.00 C ATOM 48 C ILE A 5 -2.797 -5.179 -4.337 1.00 0.00 C ATOM 49 O ILE A 5 -3.579 -6.037 -4.726 1.00 0.00 O ATOM 50 CB ILE A 5 -3.456 -4.068 -2.225 1.00 0.00 C ATOM 51 CG1 ILE A 5 -3.829 -2.737 -1.615 1.00 0.00 C ATOM 52 CG2 ILE A 5 -2.165 -4.578 -1.610 1.00 0.00 C ATOM 53 CD1 ILE A 5 -5.296 -2.397 -1.706 1.00 0.00 C ATOM 0 H ILE A 5 -5.337 -3.928 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.548 -3.106 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.246 -4.793 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.533 -2.737 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.256 -1.952 -2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.296 -4.697 -0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.906 -5.540 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.364 -3.864 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.474 -1.426 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.597 -2.361 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.879 -3.158 -1.187 1.00 0.00 H new ATOM 65 N SER A 6 -1.508 -5.295 -4.443 1.00 0.00 N ATOM 66 CA SER A 6 -0.935 -6.489 -4.967 1.00 0.00 C ATOM 67 C SER A 6 0.160 -6.923 -4.062 1.00 0.00 C ATOM 68 O SER A 6 0.994 -6.130 -3.650 1.00 0.00 O ATOM 69 CB SER A 6 -0.405 -6.270 -6.367 1.00 0.00 C ATOM 70 OG SER A 6 -0.745 -4.974 -6.841 1.00 0.00 O ATOM 0 H SER A 6 -0.837 -4.576 -4.173 1.00 0.00 H new ATOM 0 HA SER A 6 -1.701 -7.262 -5.025 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.678 -6.391 -6.373 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.814 -7.026 -7.037 1.00 0.00 H new ATOM 0 HG SER A 6 -0.391 -4.854 -7.747 1.00 0.00 H new ATOM 76 N ASN A 7 0.139 -8.174 -3.740 1.00 0.00 N ATOM 77 CA ASN A 7 1.141 -8.721 -2.878 1.00 0.00 C ATOM 78 C ASN A 7 2.331 -9.054 -3.721 1.00 0.00 C ATOM 79 O ASN A 7 2.356 -10.073 -4.398 1.00 0.00 O ATOM 80 CB ASN A 7 0.637 -9.954 -2.155 1.00 0.00 C ATOM 81 CG ASN A 7 1.563 -10.372 -1.033 1.00 0.00 C ATOM 82 OD1 ASN A 7 2.787 -10.330 -1.160 1.00 0.00 O ATOM 83 ND2 ASN A 7 0.980 -10.747 0.080 1.00 0.00 N ATOM 0 H ASN A 7 -0.563 -8.841 -4.061 1.00 0.00 H new ATOM 0 HA ASN A 7 1.405 -7.993 -2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.356 -9.757 -1.751 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.535 -10.774 -2.865 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.544 -11.019 0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.038 -10.767 0.141 1.00 0.00 H new ATOM 90 N GLU A 8 3.306 -8.189 -3.686 1.00 0.00 N ATOM 91 CA GLU A 8 4.464 -8.337 -4.589 1.00 0.00 C ATOM 92 C GLU A 8 5.258 -9.602 -4.302 1.00 0.00 C ATOM 93 O GLU A 8 5.976 -10.108 -5.164 1.00 0.00 O ATOM 94 CB GLU A 8 5.395 -7.132 -4.517 1.00 0.00 C ATOM 95 CG GLU A 8 5.165 -6.121 -5.613 1.00 0.00 C ATOM 96 CD GLU A 8 5.573 -6.647 -6.972 1.00 0.00 C ATOM 97 OE1 GLU A 8 6.779 -6.611 -7.286 1.00 0.00 O ATOM 98 OE2 GLU A 8 4.694 -7.108 -7.728 1.00 0.00 O ATOM 0 H GLU A 8 3.344 -7.382 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 8 4.051 -8.407 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.268 -6.643 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.427 -7.478 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.111 -5.844 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.728 -5.214 -5.392 1.00 0.00 H new ATOM 105 N LEU A 9 5.099 -10.125 -3.110 1.00 0.00 N ATOM 106 CA LEU A 9 5.874 -11.259 -2.668 1.00 0.00 C ATOM 107 C LEU A 9 5.153 -12.554 -2.944 1.00 0.00 C ATOM 108 O LEU A 9 5.735 -13.516 -3.443 1.00 0.00 O ATOM 109 CB LEU A 9 6.120 -11.143 -1.178 1.00 0.00 C ATOM 110 CG LEU A 9 7.201 -10.147 -0.766 1.00 0.00 C ATOM 111 CD1 LEU A 9 7.643 -10.426 0.659 1.00 0.00 C ATOM 112 CD2 LEU A 9 8.386 -10.201 -1.724 1.00 0.00 C ATOM 0 H LEU A 9 4.431 -9.778 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 9 6.817 -11.263 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.185 -10.859 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.392 -12.127 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 9 6.785 -9.141 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.415 -9.712 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.790 -10.329 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.043 -11.438 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.142 -9.482 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.814 -11.204 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.051 -9.956 -2.732 1.00 0.00 H new ATOM 124 N THR A 10 3.880 -12.566 -2.628 1.00 0.00 N ATOM 125 CA THR A 10 3.119 -13.744 -2.651 1.00 0.00 C ATOM 126 C THR A 10 2.361 -13.836 -3.971 1.00 0.00 C ATOM 127 O THR A 10 1.966 -14.911 -4.424 1.00 0.00 O ATOM 128 CB THR A 10 2.207 -13.701 -1.429 1.00 0.00 C ATOM 129 OG1 THR A 10 2.889 -14.186 -0.264 1.00 0.00 O ATOM 130 CG2 THR A 10 0.990 -14.474 -1.695 1.00 0.00 C ATOM 0 H THR A 10 3.358 -11.736 -2.347 1.00 0.00 H new ATOM 0 HA THR A 10 3.734 -14.643 -2.597 1.00 0.00 H new ATOM 0 HB THR A 10 1.925 -12.667 -1.232 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.286 -14.148 0.508 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.340 -14.442 -0.821 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.468 -14.047 -2.551 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.256 -15.509 -1.911 1.00 0.00 H new ATOM 138 N GLY A 11 2.226 -12.687 -4.596 1.00 0.00 N ATOM 139 CA GLY A 11 1.655 -12.618 -5.934 1.00 0.00 C ATOM 140 C GLY A 11 0.142 -12.548 -5.938 1.00 0.00 C ATOM 141 O GLY A 11 -0.492 -12.750 -6.973 1.00 0.00 O ATOM 0 H GLY A 11 2.502 -11.786 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.053 -11.742 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.973 -13.492 -6.502 1.00 0.00 H new ATOM 145 N GLU A 12 -0.434 -12.277 -4.780 1.00 0.00 N ATOM 146 CA GLU A 12 -1.849 -12.143 -4.654 1.00 0.00 C ATOM 147 C GLU A 12 -2.265 -10.800 -5.143 1.00 0.00 C ATOM 148 O GLU A 12 -1.483 -9.854 -5.198 1.00 0.00 O ATOM 149 CB GLU A 12 -2.307 -12.262 -3.214 1.00 0.00 C ATOM 150 CG GLU A 12 -1.891 -13.551 -2.541 1.00 0.00 C ATOM 151 CD GLU A 12 -2.463 -13.702 -1.149 1.00 0.00 C ATOM 152 OE1 GLU A 12 -1.915 -13.095 -0.208 1.00 0.00 O ATOM 153 OE2 GLU A 12 -3.463 -14.427 -0.986 1.00 0.00 O ATOM 0 H GLU A 12 0.079 -12.146 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.299 -12.944 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.907 -11.422 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.393 -12.181 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.212 -14.394 -3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.803 -13.592 -2.487 1.00 0.00 H new ATOM 160 N ILE A 13 -3.519 -10.733 -5.396 1.00 0.00 N ATOM 161 CA ILE A 13 -4.150 -9.537 -5.908 1.00 0.00 C ATOM 162 C ILE A 13 -5.375 -9.235 -5.078 1.00 0.00 C ATOM 163 O ILE A 13 -6.339 -9.999 -5.049 1.00 0.00 O ATOM 164 CB ILE A 13 -4.535 -9.634 -7.399 1.00 0.00 C ATOM 165 CG1 ILE A 13 -3.307 -9.966 -8.253 1.00 0.00 C ATOM 166 CG2 ILE A 13 -5.149 -8.319 -7.858 1.00 0.00 C ATOM 167 CD1 ILE A 13 -2.111 -9.096 -7.933 1.00 0.00 C ATOM 0 H ILE A 13 -4.162 -11.512 -5.257 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.420 -8.731 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.265 -10.434 -7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.039 -11.012 -8.103 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.562 -9.850 -9.306 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.419 -8.392 -8.911 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.041 -8.108 -7.268 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.427 -7.514 -7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.274 -9.380 -8.571 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.364 -8.051 -8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.833 -9.230 -6.888 1.00 0.00 H new ATOM 179 N TYR A 14 -5.297 -8.131 -4.390 1.00 0.00 N ATOM 180 CA TYR A 14 -6.312 -7.722 -3.444 1.00 0.00 C ATOM 181 C TYR A 14 -7.199 -6.695 -4.071 1.00 0.00 C ATOM 182 O TYR A 14 -6.752 -5.906 -4.923 1.00 0.00 O ATOM 183 CB TYR A 14 -5.595 -7.169 -2.253 1.00 0.00 C ATOM 184 CG TYR A 14 -4.674 -8.122 -1.725 1.00 0.00 C ATOM 185 CD1 TYR A 14 -5.002 -9.440 -1.428 1.00 0.00 C ATOM 186 CD2 TYR A 14 -3.464 -7.685 -1.536 1.00 0.00 C ATOM 187 CE1 TYR A 14 -4.040 -10.283 -0.932 1.00 0.00 C ATOM 188 CE2 TYR A 14 -2.535 -8.459 -1.075 1.00 0.00 C ATOM 189 CZ TYR A 14 -2.780 -9.774 -0.753 1.00 0.00 C ATOM 190 OH TYR A 14 -1.773 -10.563 -0.251 1.00 0.00 O ATOM 0 H TYR A 14 -4.518 -7.477 -4.467 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.946 -8.557 -3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.063 -6.260 -2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.317 -6.891 -1.485 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.008 -9.798 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.230 -6.657 -1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.267 -11.311 -0.691 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.540 -8.062 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.138 -11.437 0.003 1.00 0.00 H new ATOM 200 N GLY A 15 -8.402 -6.606 -3.558 1.00 0.00 N ATOM 201 CA GLY A 15 -9.461 -6.053 -4.332 1.00 0.00 C ATOM 202 C GLY A 15 -9.628 -4.594 -4.101 1.00 0.00 C ATOM 203 O GLY A 15 -9.221 -4.063 -3.066 1.00 0.00 O ATOM 0 H GLY A 15 -8.660 -6.908 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.266 -6.231 -5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.392 -6.566 -4.089 1.00 0.00 H new ATOM 207 N PRO A 16 -10.239 -3.927 -5.068 1.00 0.00 N ATOM 208 CA PRO A 16 -10.291 -2.481 -5.117 1.00 0.00 C ATOM 209 C PRO A 16 -11.068 -1.921 -3.937 1.00 0.00 C ATOM 210 O PRO A 16 -12.263 -2.175 -3.757 1.00 0.00 O ATOM 211 CB PRO A 16 -10.989 -2.221 -6.448 1.00 0.00 C ATOM 212 CG PRO A 16 -11.868 -3.388 -6.580 1.00 0.00 C ATOM 213 CD PRO A 16 -10.995 -4.529 -6.175 1.00 0.00 C ATOM 0 HA PRO A 16 -9.315 -2.000 -5.052 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.553 -1.288 -6.435 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.279 -2.153 -7.272 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.744 -3.305 -5.937 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.231 -3.503 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.573 -5.397 -5.856 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.346 -4.859 -6.986 1.00 0.00 H new ATOM 221 N ILE A 17 -10.358 -1.171 -3.139 1.00 0.00 N ATOM 222 CA ILE A 17 -10.887 -0.603 -1.925 1.00 0.00 C ATOM 223 C ILE A 17 -11.241 0.851 -2.084 1.00 0.00 C ATOM 224 O ILE A 17 -10.426 1.666 -2.513 1.00 0.00 O ATOM 225 CB ILE A 17 -9.899 -0.755 -0.781 1.00 0.00 C ATOM 226 CG1 ILE A 17 -9.956 -2.192 -0.318 1.00 0.00 C ATOM 227 CG2 ILE A 17 -10.208 0.241 0.337 1.00 0.00 C ATOM 228 CD1 ILE A 17 -9.178 -2.462 0.942 1.00 0.00 C ATOM 0 H ILE A 17 -9.382 -0.933 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.800 -1.154 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.884 -0.527 -1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.998 -2.469 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.575 -2.834 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.488 0.115 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -10.142 1.257 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.214 0.062 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.269 -3.515 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.128 -2.218 0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.572 -1.848 1.752 1.00 0.00 H new ATOM 240 N GLU A 18 -12.454 1.166 -1.703 1.00 0.00 N ATOM 241 CA GLU A 18 -12.938 2.529 -1.775 1.00 0.00 C ATOM 242 C GLU A 18 -12.205 3.368 -0.745 1.00 0.00 C ATOM 243 O GLU A 18 -12.360 3.154 0.456 1.00 0.00 O ATOM 244 CB GLU A 18 -14.450 2.594 -1.522 1.00 0.00 C ATOM 245 CG GLU A 18 -15.008 4.014 -1.560 1.00 0.00 C ATOM 246 CD GLU A 18 -16.473 4.089 -1.162 1.00 0.00 C ATOM 247 OE1 GLU A 18 -16.771 3.993 0.048 1.00 0.00 O ATOM 248 OE2 GLU A 18 -17.326 4.264 -2.053 1.00 0.00 O ATOM 0 H GLU A 18 -13.130 0.496 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.750 2.917 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.963 1.989 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.668 2.151 -0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.423 4.646 -0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.890 4.418 -2.565 1.00 0.00 H new ATOM 255 N VAL A 19 -11.406 4.317 -1.203 1.00 0.00 N ATOM 256 CA VAL A 19 -10.708 5.177 -0.283 1.00 0.00 C ATOM 257 C VAL A 19 -11.407 6.502 -0.185 1.00 0.00 C ATOM 258 O VAL A 19 -11.817 7.101 -1.182 1.00 0.00 O ATOM 259 CB VAL A 19 -9.239 5.435 -0.686 1.00 0.00 C ATOM 260 CG1 VAL A 19 -8.522 4.137 -0.927 1.00 0.00 C ATOM 261 CG2 VAL A 19 -9.121 6.337 -1.904 1.00 0.00 C ATOM 0 H VAL A 19 -11.231 4.504 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.709 4.658 0.675 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.768 5.956 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.489 4.339 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.538 3.538 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.018 3.591 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.069 6.487 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.625 5.872 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.585 7.300 -1.690 1.00 0.00 H new ATOM 271 N SER A 20 -11.619 6.905 1.032 1.00 0.00 N ATOM 272 CA SER A 20 -12.163 8.197 1.310 1.00 0.00 C ATOM 273 C SER A 20 -11.018 9.108 1.648 1.00 0.00 C ATOM 274 O SER A 20 -10.070 8.712 2.314 1.00 0.00 O ATOM 275 CB SER A 20 -13.155 8.115 2.475 1.00 0.00 C ATOM 276 OG SER A 20 -13.859 9.335 2.640 1.00 0.00 O ATOM 0 H SER A 20 -11.419 6.345 1.861 1.00 0.00 H new ATOM 0 HA SER A 20 -12.705 8.581 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.863 7.306 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.621 7.874 3.394 1.00 0.00 H new ATOM 0 HG SER A 20 -13.885 9.572 3.591 1.00 0.00 H new ATOM 282 N GLU A 21 -11.129 10.324 1.168 1.00 0.00 N ATOM 283 CA GLU A 21 -10.102 11.335 1.304 1.00 0.00 C ATOM 284 C GLU A 21 -9.661 11.507 2.746 1.00 0.00 C ATOM 285 O GLU A 21 -8.514 11.852 3.024 1.00 0.00 O ATOM 286 CB GLU A 21 -10.684 12.619 0.823 1.00 0.00 C ATOM 287 CG GLU A 21 -11.306 12.535 -0.556 1.00 0.00 C ATOM 288 CD GLU A 21 -10.578 13.370 -1.590 1.00 0.00 C ATOM 289 OE1 GLU A 21 -10.891 14.574 -1.718 1.00 0.00 O ATOM 290 OE2 GLU A 21 -9.708 12.822 -2.297 1.00 0.00 O ATOM 0 H GLU A 21 -11.953 10.647 0.661 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.227 11.036 0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.442 12.951 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.903 13.379 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.316 11.494 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.344 12.862 -0.500 1.00 0.00 H new ATOM 297 N ASP A 22 -10.599 11.281 3.652 1.00 0.00 N ATOM 298 CA ASP A 22 -10.377 11.518 5.068 1.00 0.00 C ATOM 299 C ASP A 22 -9.954 10.258 5.832 1.00 0.00 C ATOM 300 O ASP A 22 -9.840 10.301 7.059 1.00 0.00 O ATOM 301 CB ASP A 22 -11.648 12.087 5.704 1.00 0.00 C ATOM 302 CG ASP A 22 -12.697 11.020 5.969 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.208 10.422 4.995 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.001 10.766 7.156 1.00 0.00 O ATOM 0 H ASP A 22 -11.530 10.930 3.428 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.555 12.231 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.391 12.580 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.068 12.849 5.048 1.00 0.00 H new ATOM 309 N MET A 23 -9.716 9.134 5.146 1.00 0.00 N ATOM 310 CA MET A 23 -9.277 7.954 5.813 1.00 0.00 C ATOM 311 C MET A 23 -7.854 8.162 6.260 1.00 0.00 C ATOM 312 O MET A 23 -7.179 9.111 5.856 1.00 0.00 O ATOM 313 CB MET A 23 -9.342 6.765 4.860 1.00 0.00 C ATOM 314 CG MET A 23 -9.419 5.432 5.543 1.00 0.00 C ATOM 315 SD MET A 23 -9.729 4.087 4.384 1.00 0.00 S ATOM 316 CE MET A 23 -9.681 2.676 5.483 1.00 0.00 C ATOM 0 H MET A 23 -9.826 9.040 4.136 1.00 0.00 H new ATOM 0 HA MET A 23 -9.918 7.753 6.672 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.212 6.880 4.213 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.462 6.781 4.217 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.486 5.244 6.074 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.212 5.454 6.291 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.978 1.780 4.938 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.669 2.548 5.867 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.367 2.839 6.315 1.00 0.00 H new ATOM 326 N ALA A 24 -7.403 7.271 7.071 1.00 0.00 N ATOM 327 CA ALA A 24 -6.037 7.271 7.488 1.00 0.00 C ATOM 328 C ALA A 24 -5.335 6.224 6.669 1.00 0.00 C ATOM 329 O ALA A 24 -5.800 5.087 6.592 1.00 0.00 O ATOM 330 CB ALA A 24 -5.933 6.976 8.976 1.00 0.00 C ATOM 0 H ALA A 24 -7.967 6.519 7.467 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.576 8.246 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.885 6.980 9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.474 7.739 9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.366 5.998 9.184 1.00 0.00 H new ATOM 336 N LEU A 25 -4.243 6.605 6.022 1.00 0.00 N ATOM 337 CA LEU A 25 -3.483 5.678 5.231 1.00 0.00 C ATOM 338 C LEU A 25 -3.026 4.546 6.124 1.00 0.00 C ATOM 339 O LEU A 25 -2.737 3.453 5.671 1.00 0.00 O ATOM 340 CB LEU A 25 -2.271 6.372 4.647 1.00 0.00 C ATOM 341 CG LEU A 25 -1.252 6.770 5.701 1.00 0.00 C ATOM 342 CD1 LEU A 25 0.100 6.967 5.092 1.00 0.00 C ATOM 343 CD2 LEU A 25 -1.677 8.009 6.467 1.00 0.00 C ATOM 0 H LEU A 25 -3.871 7.555 6.036 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.100 5.295 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.796 5.713 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.594 7.262 4.107 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.196 5.948 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.811 7.251 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.427 6.039 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.049 7.755 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.918 8.256 7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.792 8.843 5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.626 7.819 6.968 1.00 0.00 H new ATOM 355 N THR A 26 -2.948 4.855 7.405 1.00 0.00 N ATOM 356 CA THR A 26 -2.631 3.901 8.424 1.00 0.00 C ATOM 357 C THR A 26 -3.670 2.793 8.520 1.00 0.00 C ATOM 358 O THR A 26 -3.322 1.631 8.609 1.00 0.00 O ATOM 359 CB THR A 26 -2.575 4.619 9.753 1.00 0.00 C ATOM 360 OG1 THR A 26 -3.081 5.952 9.580 1.00 0.00 O ATOM 361 CG2 THR A 26 -1.155 4.667 10.283 1.00 0.00 C ATOM 0 H THR A 26 -3.108 5.797 7.762 1.00 0.00 H new ATOM 0 HA THR A 26 -1.674 3.445 8.170 1.00 0.00 H new ATOM 0 HB THR A 26 -3.185 4.079 10.477 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.356 6.541 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.141 5.189 11.240 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.782 3.652 10.418 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.519 5.195 9.573 1.00 0.00 H new ATOM 369 N ASP A 27 -4.943 3.178 8.543 1.00 0.00 N ATOM 370 CA ASP A 27 -6.047 2.222 8.572 1.00 0.00 C ATOM 371 C ASP A 27 -6.052 1.420 7.281 1.00 0.00 C ATOM 372 O ASP A 27 -6.545 0.294 7.219 1.00 0.00 O ATOM 373 CB ASP A 27 -7.382 2.948 8.759 1.00 0.00 C ATOM 374 CG ASP A 27 -8.480 2.021 9.244 1.00 0.00 C ATOM 375 OD1 ASP A 27 -8.364 1.506 10.379 1.00 0.00 O ATOM 376 OD2 ASP A 27 -9.462 1.809 8.505 1.00 0.00 O ATOM 0 H ASP A 27 -5.238 4.155 8.542 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.912 1.544 9.415 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.254 3.761 9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.683 3.400 7.814 1.00 0.00 H new ATOM 381 N LEU A 28 -5.459 2.010 6.259 1.00 0.00 N ATOM 382 CA LEU A 28 -5.288 1.361 4.987 1.00 0.00 C ATOM 383 C LEU A 28 -4.192 0.294 5.116 1.00 0.00 C ATOM 384 O LEU A 28 -4.401 -0.876 4.802 1.00 0.00 O ATOM 385 CB LEU A 28 -4.912 2.428 3.962 1.00 0.00 C ATOM 386 CG LEU A 28 -5.552 2.270 2.597 1.00 0.00 C ATOM 387 CD1 LEU A 28 -5.451 0.831 2.151 1.00 0.00 C ATOM 388 CD2 LEU A 28 -6.998 2.738 2.631 1.00 0.00 C ATOM 0 H LEU A 28 -5.083 2.958 6.296 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.204 0.866 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.185 3.405 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.829 2.425 3.840 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.021 2.892 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.912 0.721 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.402 0.541 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.966 0.191 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.443 2.618 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.556 2.144 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.034 3.789 2.920 1.00 0.00 H new ATOM 400 N ILE A 29 -3.029 0.726 5.599 1.00 0.00 N ATOM 401 CA ILE A 29 -1.951 -0.140 6.024 1.00 0.00 C ATOM 402 C ILE A 29 -2.441 -1.213 6.999 1.00 0.00 C ATOM 403 O ILE A 29 -1.923 -2.319 7.026 1.00 0.00 O ATOM 404 CB ILE A 29 -0.873 0.708 6.735 1.00 0.00 C ATOM 405 CG1 ILE A 29 -0.312 1.812 5.831 1.00 0.00 C ATOM 406 CG2 ILE A 29 0.231 -0.162 7.252 1.00 0.00 C ATOM 407 CD1 ILE A 29 -0.170 1.418 4.383 1.00 0.00 C ATOM 0 H ILE A 29 -2.813 1.717 5.705 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.546 -0.632 5.139 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.358 1.199 7.579 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.963 2.684 5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.664 2.114 6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.979 0.456 7.749 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.175 -0.882 7.963 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.694 -0.694 6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.233 2.257 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.506 0.567 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.146 1.145 3.983 1.00 0.00 H new ATOM 419 N ALA A 30 -3.422 -0.866 7.808 1.00 0.00 N ATOM 420 CA ALA A 30 -4.019 -1.796 8.751 1.00 0.00 C ATOM 421 C ALA A 30 -4.573 -3.018 8.020 1.00 0.00 C ATOM 422 O ALA A 30 -4.222 -4.151 8.333 1.00 0.00 O ATOM 423 CB ALA A 30 -5.108 -1.083 9.542 1.00 0.00 C ATOM 0 H ALA A 30 -3.829 0.069 7.832 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.257 -2.149 9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.558 -1.779 10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.673 -0.243 10.084 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.873 -0.716 8.858 1.00 0.00 H new ATOM 429 N LEU A 31 -5.394 -2.760 7.010 1.00 0.00 N ATOM 430 CA LEU A 31 -5.971 -3.805 6.162 1.00 0.00 C ATOM 431 C LEU A 31 -4.898 -4.430 5.324 1.00 0.00 C ATOM 432 O LEU A 31 -4.976 -5.578 4.927 1.00 0.00 O ATOM 433 CB LEU A 31 -7.025 -3.213 5.248 1.00 0.00 C ATOM 434 CG LEU A 31 -7.888 -2.221 5.963 1.00 0.00 C ATOM 435 CD1 LEU A 31 -8.575 -1.282 4.984 1.00 0.00 C ATOM 436 CD2 LEU A 31 -8.908 -2.929 6.840 1.00 0.00 C ATOM 0 H LEU A 31 -5.682 -1.816 6.752 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.427 -4.560 6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.540 -2.729 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.647 -4.012 4.845 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.245 -1.619 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.195 -0.573 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.823 -0.739 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.201 -1.860 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.525 -2.189 7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.541 -3.565 6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.390 -3.542 7.578 1.00 0.00 H new ATOM 448 N LEU A 32 -3.919 -3.631 5.011 1.00 0.00 N ATOM 449 CA LEU A 32 -2.822 -4.038 4.233 1.00 0.00 C ATOM 450 C LEU A 32 -2.023 -5.124 4.953 1.00 0.00 C ATOM 451 O LEU A 32 -1.642 -6.126 4.366 1.00 0.00 O ATOM 452 CB LEU A 32 -2.038 -2.775 4.021 1.00 0.00 C ATOM 453 CG LEU A 32 -1.011 -2.821 2.966 1.00 0.00 C ATOM 454 CD1 LEU A 32 -1.574 -3.369 1.690 1.00 0.00 C ATOM 455 CD2 LEU A 32 -0.448 -1.462 2.790 1.00 0.00 C ATOM 0 H LEU A 32 -3.876 -2.655 5.306 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.106 -4.490 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.737 -1.972 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.553 -2.510 4.961 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.208 -3.497 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.794 -3.392 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.944 -4.380 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.393 -2.735 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.314 -1.482 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.243 -0.773 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.001 -1.129 3.727 1.00 0.00 H new ATOM 467 N GLN A 33 -1.795 -4.931 6.232 1.00 0.00 N ATOM 468 CA GLN A 33 -1.102 -5.885 7.044 1.00 0.00 C ATOM 469 C GLN A 33 -2.002 -7.064 7.338 1.00 0.00 C ATOM 470 O GLN A 33 -1.603 -8.225 7.263 1.00 0.00 O ATOM 471 CB GLN A 33 -0.719 -5.182 8.325 1.00 0.00 C ATOM 472 CG GLN A 33 0.241 -4.040 8.095 1.00 0.00 C ATOM 473 CD GLN A 33 0.777 -3.437 9.369 1.00 0.00 C ATOM 474 OE1 GLN A 33 1.812 -3.856 9.887 1.00 0.00 O ATOM 475 NE2 GLN A 33 0.083 -2.439 9.881 1.00 0.00 N ATOM 0 H GLN A 33 -2.092 -4.096 6.736 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.216 -6.263 6.534 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.619 -4.804 8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.266 -5.901 9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.076 -4.394 7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.262 -3.264 7.519 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.770 -2.122 9.420 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.399 -1.984 10.738 1.00 0.00 H new ATOM 484 N ALA A 34 -3.221 -6.717 7.670 1.00 0.00 N ATOM 485 CA ALA A 34 -4.259 -7.663 8.020 1.00 0.00 C ATOM 486 C ALA A 34 -4.567 -8.648 6.886 1.00 0.00 C ATOM 487 O ALA A 34 -4.482 -9.862 7.057 1.00 0.00 O ATOM 488 CB ALA A 34 -5.504 -6.871 8.382 1.00 0.00 C ATOM 0 H ALA A 34 -3.529 -5.745 7.706 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.916 -8.266 8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.307 -7.558 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.287 -6.218 9.227 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.813 -6.269 7.528 1.00 0.00 H new ATOM 494 N ASP A 35 -4.898 -8.106 5.729 1.00 0.00 N ATOM 495 CA ASP A 35 -5.373 -8.892 4.595 1.00 0.00 C ATOM 496 C ASP A 35 -4.253 -9.189 3.606 1.00 0.00 C ATOM 497 O ASP A 35 -4.112 -10.320 3.142 1.00 0.00 O ATOM 498 CB ASP A 35 -6.507 -8.140 3.889 1.00 0.00 C ATOM 499 CG ASP A 35 -7.023 -8.853 2.652 1.00 0.00 C ATOM 500 OD1 ASP A 35 -7.722 -9.882 2.795 1.00 0.00 O ATOM 501 OD2 ASP A 35 -6.755 -8.374 1.530 1.00 0.00 O ATOM 0 H ASP A 35 -4.846 -7.104 5.544 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.740 -9.845 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.331 -7.999 4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.155 -7.148 3.607 1.00 0.00 H new ATOM 506 N CYS A 36 -3.448 -8.179 3.293 1.00 0.00 N ATOM 507 CA CYS A 36 -2.394 -8.349 2.308 1.00 0.00 C ATOM 508 C CYS A 36 -1.180 -9.042 2.913 1.00 0.00 C ATOM 509 O CYS A 36 -0.403 -9.693 2.214 1.00 0.00 O ATOM 510 CB CYS A 36 -1.997 -6.995 1.713 1.00 0.00 C ATOM 511 SG CYS A 36 -0.483 -7.038 0.733 1.00 0.00 S ATOM 0 H CYS A 36 -3.506 -7.247 3.703 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.778 -8.984 1.510 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.812 -6.632 1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.873 -6.276 2.523 1.00 0.00 H new ATOM 0 HG CYS A 36 0.149 -8.151 0.960 1.00 0.00 H new ATOM 517 N GLY A 37 -1.024 -8.913 4.216 1.00 0.00 N ATOM 518 CA GLY A 37 0.123 -9.497 4.876 1.00 0.00 C ATOM 519 C GLY A 37 1.284 -8.531 4.928 1.00 0.00 C ATOM 520 O GLY A 37 2.423 -8.928 5.178 1.00 0.00 O ATOM 0 H GLY A 37 -1.669 -8.416 4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.151 -9.793 5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.425 -10.402 4.350 1.00 0.00 H new ATOM 524 N PHE A 38 0.992 -7.261 4.643 1.00 0.00 N ATOM 525 CA PHE A 38 1.937 -6.185 4.788 1.00 0.00 C ATOM 526 C PHE A 38 2.675 -6.270 6.101 1.00 0.00 C ATOM 527 O PHE A 38 2.096 -6.526 7.155 1.00 0.00 O ATOM 528 CB PHE A 38 1.177 -4.875 4.709 1.00 0.00 C ATOM 529 CG PHE A 38 2.017 -3.667 4.502 1.00 0.00 C ATOM 530 CD1 PHE A 38 3.168 -3.815 3.862 1.00 0.00 C ATOM 531 CD2 PHE A 38 1.683 -2.421 4.974 1.00 0.00 C ATOM 532 CE1 PHE A 38 4.018 -2.817 3.630 1.00 0.00 C ATOM 533 CE2 PHE A 38 2.536 -1.365 4.738 1.00 0.00 C ATOM 534 CZ PHE A 38 3.715 -1.594 4.048 1.00 0.00 C ATOM 0 H PHE A 38 0.079 -6.961 4.302 1.00 0.00 H new ATOM 0 HA PHE A 38 2.679 -6.251 3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.456 -4.940 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.607 -4.748 5.629 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.431 -4.801 3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.765 -2.271 5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.945 -3.001 3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.289 -0.373 5.086 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.390 -0.775 3.849 1.00 0.00 H new ATOM 544 N ASP A 39 3.953 -6.042 6.012 1.00 0.00 N ATOM 545 CA ASP A 39 4.805 -6.041 7.151 1.00 0.00 C ATOM 546 C ASP A 39 5.926 -5.088 6.860 1.00 0.00 C ATOM 547 O ASP A 39 6.926 -5.462 6.283 1.00 0.00 O ATOM 548 CB ASP A 39 5.371 -7.417 7.440 1.00 0.00 C ATOM 549 CG ASP A 39 5.986 -7.501 8.822 1.00 0.00 C ATOM 550 OD1 ASP A 39 6.160 -6.442 9.461 1.00 0.00 O ATOM 551 OD2 ASP A 39 6.303 -8.617 9.274 1.00 0.00 O ATOM 0 H ASP A 39 4.433 -5.850 5.133 1.00 0.00 H new ATOM 0 HA ASP A 39 4.234 -5.742 8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.579 -8.161 7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.125 -7.663 6.692 1.00 0.00 H new ATOM 556 N LYS A 40 5.732 -3.859 7.238 1.00 0.00 N ATOM 557 CA LYS A 40 6.662 -2.797 6.973 1.00 0.00 C ATOM 558 C LYS A 40 8.057 -3.115 7.515 1.00 0.00 C ATOM 559 O LYS A 40 9.057 -2.575 7.047 1.00 0.00 O ATOM 560 CB LYS A 40 6.151 -1.574 7.691 1.00 0.00 C ATOM 561 CG LYS A 40 4.657 -1.416 7.564 1.00 0.00 C ATOM 562 CD LYS A 40 4.356 -0.161 6.857 1.00 0.00 C ATOM 563 CE LYS A 40 4.880 1.060 7.602 1.00 0.00 C ATOM 564 NZ LYS A 40 4.299 2.334 7.102 1.00 0.00 N ATOM 0 H LYS A 40 4.904 -3.558 7.751 1.00 0.00 H new ATOM 0 HA LYS A 40 6.741 -2.653 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.419 -1.637 8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.643 -0.688 7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.236 -2.262 7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.196 -1.409 8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.796 -0.193 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.278 -0.069 6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.656 0.956 8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.965 1.099 7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.690 3.130 7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.534 2.451 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.265 2.312 7.216 1.00 0.00 H new ATOM 578 N THR A 41 8.100 -4.008 8.501 1.00 0.00 N ATOM 579 CA THR A 41 9.314 -4.304 9.239 1.00 0.00 C ATOM 580 C THR A 41 10.232 -5.160 8.391 1.00 0.00 C ATOM 581 O THR A 41 11.431 -5.267 8.651 1.00 0.00 O ATOM 582 CB THR A 41 9.011 -5.015 10.567 1.00 0.00 C ATOM 583 OG1 THR A 41 8.515 -6.336 10.335 1.00 0.00 O ATOM 584 CG2 THR A 41 8.000 -4.220 11.378 1.00 0.00 C ATOM 0 H THR A 41 7.289 -4.545 8.807 1.00 0.00 H new ATOM 0 HA THR A 41 9.805 -3.359 9.473 1.00 0.00 H new ATOM 0 HB THR A 41 9.941 -5.086 11.130 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.539 -6.309 10.248 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.797 -4.738 12.315 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.402 -3.230 11.591 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.075 -4.122 10.810 1.00 0.00 H new ATOM 592 N LYS A 42 9.647 -5.755 7.361 1.00 0.00 N ATOM 593 CA LYS A 42 10.371 -6.270 6.285 1.00 0.00 C ATOM 594 C LYS A 42 9.338 -6.345 5.219 1.00 0.00 C ATOM 595 O LYS A 42 8.592 -7.286 5.091 1.00 0.00 O ATOM 596 CB LYS A 42 10.950 -7.632 6.663 1.00 0.00 C ATOM 597 CG LYS A 42 9.900 -8.704 6.778 1.00 0.00 C ATOM 598 CD LYS A 42 9.730 -9.293 8.160 1.00 0.00 C ATOM 599 CE LYS A 42 8.624 -10.339 8.135 1.00 0.00 C ATOM 600 NZ LYS A 42 8.150 -10.690 9.497 1.00 0.00 N ATOM 0 H LYS A 42 8.638 -5.879 7.280 1.00 0.00 H new ATOM 0 HA LYS A 42 11.232 -5.679 5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.685 -7.929 5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.479 -7.545 7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.944 -8.290 6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.148 -9.509 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.665 -9.745 8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.485 -8.507 8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.786 -9.965 7.546 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.988 -11.237 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.804 -11.671 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.935 -10.596 10.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.378 -10.049 9.772 1.00 0.00 H new ATOM 614 N HIS A 43 9.273 -5.259 4.524 1.00 0.00 N ATOM 615 CA HIS A 43 8.699 -5.145 3.247 1.00 0.00 C ATOM 616 C HIS A 43 9.055 -3.842 2.672 1.00 0.00 C ATOM 617 O HIS A 43 9.619 -2.967 3.331 1.00 0.00 O ATOM 618 CB HIS A 43 7.207 -5.218 3.265 1.00 0.00 C ATOM 619 CG HIS A 43 6.701 -6.585 3.284 1.00 0.00 C ATOM 620 ND1 HIS A 43 5.522 -6.899 3.845 1.00 0.00 N ATOM 621 CD2 HIS A 43 7.283 -7.735 2.897 1.00 0.00 C ATOM 622 CE1 HIS A 43 5.368 -8.184 3.846 1.00 0.00 C ATOM 623 NE2 HIS A 43 6.423 -8.744 3.259 1.00 0.00 N ATOM 0 H HIS A 43 9.648 -4.374 4.866 1.00 0.00 H new ATOM 0 HA HIS A 43 9.083 -5.981 2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.834 -4.687 4.141 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.814 -4.704 2.388 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.236 -7.843 2.401 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.522 -8.715 4.256 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.567 -9.742 3.105 1.00 0.00 H new ATOM 632 N ASP A 44 8.692 -3.726 1.455 1.00 0.00 N ATOM 633 CA ASP A 44 8.591 -2.489 0.843 1.00 0.00 C ATOM 634 C ASP A 44 7.262 -2.457 0.180 1.00 0.00 C ATOM 635 O ASP A 44 6.928 -3.321 -0.582 1.00 0.00 O ATOM 636 CB ASP A 44 9.671 -2.284 -0.216 1.00 0.00 C ATOM 637 CG ASP A 44 10.973 -3.019 0.068 1.00 0.00 C ATOM 638 OD1 ASP A 44 11.008 -4.266 -0.072 1.00 0.00 O ATOM 639 OD2 ASP A 44 11.977 -2.356 0.399 1.00 0.00 O ATOM 0 H ASP A 44 8.454 -4.515 0.854 1.00 0.00 H new ATOM 0 HA ASP A 44 8.713 -1.702 1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.285 -2.613 -1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.881 -1.218 -0.303 1.00 0.00 H new ATOM 644 N LEU A 45 6.535 -1.450 0.434 1.00 0.00 N ATOM 645 CA LEU A 45 5.347 -1.219 -0.184 1.00 0.00 C ATOM 646 C LEU A 45 5.603 -0.257 -1.336 1.00 0.00 C ATOM 647 O LEU A 45 6.411 0.658 -1.204 1.00 0.00 O ATOM 648 CB LEU A 45 4.512 -0.654 0.909 1.00 0.00 C ATOM 649 CG LEU A 45 3.311 0.014 0.442 1.00 0.00 C ATOM 650 CD1 LEU A 45 2.616 -0.848 -0.554 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.394 0.229 1.555 1.00 0.00 C ATOM 0 H LEU A 45 6.786 -0.738 1.120 1.00 0.00 H new ATOM 0 HA LEU A 45 4.853 -2.083 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.229 -1.457 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.111 0.054 1.482 1.00 0.00 H new ATOM 0 HG LEU A 45 3.598 0.967 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.714 -0.345 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.279 -1.034 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.346 -1.796 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.496 0.731 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.122 -0.731 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.877 0.849 2.310 1.00 0.00 H new ATOM 663 N TYR A 46 5.014 -0.514 -2.493 1.00 0.00 N ATOM 664 CA TYR A 46 5.195 0.367 -3.617 1.00 0.00 C ATOM 665 C TYR A 46 3.945 1.135 -3.888 1.00 0.00 C ATOM 666 O TYR A 46 2.824 0.644 -3.784 1.00 0.00 O ATOM 667 CB TYR A 46 5.624 -0.368 -4.891 1.00 0.00 C ATOM 668 CG TYR A 46 7.021 -0.751 -4.876 1.00 0.00 C ATOM 669 CD1 TYR A 46 7.376 -1.285 -3.758 1.00 0.00 C ATOM 670 CD2 TYR A 46 7.928 -0.624 -5.907 1.00 0.00 C ATOM 671 CE1 TYR A 46 8.583 -1.728 -3.513 1.00 0.00 C ATOM 672 CE2 TYR A 46 9.222 -1.069 -5.719 1.00 0.00 C ATOM 673 CZ TYR A 46 9.557 -1.629 -4.499 1.00 0.00 C ATOM 674 OH TYR A 46 10.840 -2.090 -4.273 1.00 0.00 O ATOM 0 H TYR A 46 4.414 -1.319 -2.670 1.00 0.00 H new ATOM 0 HA TYR A 46 6.001 1.047 -3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.009 -1.259 -5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.437 0.271 -5.754 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.634 -1.372 -2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.631 -0.183 -6.847 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.819 -2.166 -2.554 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.956 -0.982 -6.507 1.00 0.00 H new ATOM 0 HH TYR A 46 11.486 -1.466 -4.666 1.00 0.00 H new ATOM 684 N TYR A 47 4.198 2.341 -4.220 1.00 0.00 N ATOM 685 CA TYR A 47 3.224 3.327 -4.464 1.00 0.00 C ATOM 686 C TYR A 47 3.669 4.309 -5.542 1.00 0.00 C ATOM 687 O TYR A 47 4.684 4.982 -5.376 1.00 0.00 O ATOM 688 CB TYR A 47 3.003 4.062 -3.175 1.00 0.00 C ATOM 689 CG TYR A 47 2.131 5.144 -3.409 1.00 0.00 C ATOM 690 CD1 TYR A 47 0.986 4.755 -3.907 1.00 0.00 C ATOM 691 CD2 TYR A 47 2.379 6.471 -3.133 1.00 0.00 C ATOM 692 CE1 TYR A 47 0.041 5.596 -4.172 1.00 0.00 C ATOM 693 CE2 TYR A 47 1.406 7.394 -3.411 1.00 0.00 C ATOM 694 CZ TYR A 47 0.213 6.944 -3.937 1.00 0.00 C ATOM 695 OH TYR A 47 -0.790 7.830 -4.228 1.00 0.00 O ATOM 0 H TYR A 47 5.151 2.687 -4.336 1.00 0.00 H new ATOM 0 HA TYR A 47 2.309 2.853 -4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.579 3.392 -2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.953 4.422 -2.779 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.826 3.705 -4.102 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.322 6.777 -2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.893 5.240 -4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.568 8.445 -3.224 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.452 7.396 -4.806 1.00 0.00 H new ATOM 705 N ASN A 48 2.878 4.402 -6.618 1.00 0.00 N ATOM 706 CA ASN A 48 3.041 5.396 -7.660 1.00 0.00 C ATOM 707 C ASN A 48 4.364 5.288 -8.355 1.00 0.00 C ATOM 708 O ASN A 48 4.473 4.741 -9.451 1.00 0.00 O ATOM 709 CB ASN A 48 2.884 6.778 -7.071 1.00 0.00 C ATOM 710 CG ASN A 48 1.433 7.222 -6.981 1.00 0.00 C ATOM 711 OD1 ASN A 48 1.138 8.414 -6.891 1.00 0.00 O ATOM 712 ND2 ASN A 48 0.516 6.269 -7.050 1.00 0.00 N ATOM 0 H ASN A 48 2.094 3.771 -6.782 1.00 0.00 H new ATOM 0 HA ASN A 48 2.269 5.214 -8.407 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.326 6.795 -6.075 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.440 7.492 -7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.474 6.512 -7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.800 5.292 -7.124 1.00 0.00 H new ATOM 719 N MET A 49 5.362 5.817 -7.705 1.00 0.00 N ATOM 720 CA MET A 49 6.674 5.843 -8.245 1.00 0.00 C ATOM 721 C MET A 49 7.607 5.070 -7.342 1.00 0.00 C ATOM 722 O MET A 49 8.608 5.593 -6.841 1.00 0.00 O ATOM 723 CB MET A 49 7.116 7.285 -8.438 1.00 0.00 C ATOM 724 CG MET A 49 6.097 8.078 -9.226 1.00 0.00 C ATOM 725 SD MET A 49 6.425 9.849 -9.233 1.00 0.00 S ATOM 726 CE MET A 49 5.030 10.447 -10.185 1.00 0.00 C ATOM 0 H MET A 49 5.278 6.242 -6.782 1.00 0.00 H new ATOM 0 HA MET A 49 6.693 5.362 -9.223 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.269 7.753 -7.465 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.075 7.306 -8.956 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.079 7.715 -10.253 1.00 0.00 H new ATOM 0 HG3 MET A 49 5.106 7.900 -8.808 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.091 11.531 -10.278 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.047 9.997 -11.177 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.102 10.177 -9.680 1.00 0.00 H new ATOM 736 N ASP A 50 7.157 3.850 -7.079 1.00 0.00 N ATOM 737 CA ASP A 50 7.945 2.845 -6.385 1.00 0.00 C ATOM 738 C ASP A 50 7.848 3.063 -4.889 1.00 0.00 C ATOM 739 O ASP A 50 6.893 3.677 -4.414 1.00 0.00 O ATOM 740 CB ASP A 50 9.336 2.946 -7.020 1.00 0.00 C ATOM 741 CG ASP A 50 10.542 2.518 -6.198 1.00 0.00 C ATOM 742 OD1 ASP A 50 10.809 1.308 -6.110 1.00 0.00 O ATOM 743 OD2 ASP A 50 11.242 3.397 -5.655 1.00 0.00 O ATOM 0 H ASP A 50 6.226 3.529 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 50 7.601 1.817 -6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.328 2.349 -7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.490 3.983 -7.319 1.00 0.00 H new ATOM 748 N ILE A 51 8.770 2.512 -4.165 1.00 0.00 N ATOM 749 CA ILE A 51 8.785 2.573 -2.732 1.00 0.00 C ATOM 750 C ILE A 51 8.547 3.957 -2.205 1.00 0.00 C ATOM 751 O ILE A 51 9.003 4.968 -2.746 1.00 0.00 O ATOM 752 CB ILE A 51 10.136 2.134 -2.192 1.00 0.00 C ATOM 753 CG1 ILE A 51 10.560 0.812 -2.790 1.00 0.00 C ATOM 754 CG2 ILE A 51 10.049 2.019 -0.698 1.00 0.00 C ATOM 755 CD1 ILE A 51 11.546 0.089 -1.925 1.00 0.00 C ATOM 0 H ILE A 51 9.554 1.994 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 51 7.981 1.913 -2.406 1.00 0.00 H new ATOM 0 HB ILE A 51 10.884 2.878 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.681 0.184 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.999 0.984 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.014 1.704 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.780 2.986 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.290 1.283 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.820 -0.855 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.437 0.703 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.099 -0.109 -0.951 1.00 0.00 H new ATOM 767 N LEU A 52 7.773 3.951 -1.154 1.00 0.00 N ATOM 768 CA LEU A 52 7.494 5.120 -0.362 1.00 0.00 C ATOM 769 C LEU A 52 8.769 5.784 0.175 1.00 0.00 C ATOM 770 O LEU A 52 9.886 5.333 -0.075 1.00 0.00 O ATOM 771 CB LEU A 52 6.635 4.690 0.806 1.00 0.00 C ATOM 772 CG LEU A 52 5.210 4.263 0.494 1.00 0.00 C ATOM 773 CD1 LEU A 52 4.495 5.327 -0.280 1.00 0.00 C ATOM 774 CD2 LEU A 52 5.140 2.956 -0.254 1.00 0.00 C ATOM 0 H LEU A 52 7.306 3.110 -0.815 1.00 0.00 H new ATOM 0 HA LEU A 52 6.990 5.852 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.135 3.861 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.593 5.515 1.518 1.00 0.00 H new ATOM 0 HG LEU A 52 4.718 4.115 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.477 5.000 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.467 6.246 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.020 5.510 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.098 2.703 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.673 3.049 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.599 2.169 0.345 1.00 0.00 H new ATOM 786 N ASP A 53 8.575 6.835 0.954 1.00 0.00 N ATOM 787 CA ASP A 53 9.649 7.620 1.524 1.00 0.00 C ATOM 788 C ASP A 53 10.315 6.887 2.691 1.00 0.00 C ATOM 789 O ASP A 53 10.041 5.720 2.937 1.00 0.00 O ATOM 790 CB ASP A 53 9.072 8.950 1.991 1.00 0.00 C ATOM 791 CG ASP A 53 8.565 9.808 0.845 1.00 0.00 C ATOM 792 OD1 ASP A 53 7.610 9.387 0.161 1.00 0.00 O ATOM 793 OD2 ASP A 53 9.113 10.909 0.631 1.00 0.00 O ATOM 0 H ASP A 53 7.647 7.170 1.211 1.00 0.00 H new ATOM 0 HA ASP A 53 10.417 7.786 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.254 8.762 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.837 9.500 2.539 1.00 0.00 H new ATOM 798 N SER A 54 11.204 7.570 3.394 1.00 0.00 N ATOM 799 CA SER A 54 11.890 6.991 4.549 1.00 0.00 C ATOM 800 C SER A 54 10.983 6.979 5.790 1.00 0.00 C ATOM 801 O SER A 54 11.352 6.452 6.840 1.00 0.00 O ATOM 802 CB SER A 54 13.176 7.777 4.833 1.00 0.00 C ATOM 803 OG SER A 54 13.963 7.156 5.839 1.00 0.00 O ATOM 0 H SER A 54 11.472 8.532 3.187 1.00 0.00 H new ATOM 0 HA SER A 54 12.143 5.957 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.760 7.863 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.921 8.790 5.144 1.00 0.00 H new ATOM 0 HG SER A 54 13.376 6.766 6.520 1.00 0.00 H new ATOM 809 N ASN A 55 9.786 7.541 5.662 1.00 0.00 N ATOM 810 CA ASN A 55 8.904 7.707 6.806 1.00 0.00 C ATOM 811 C ASN A 55 7.545 7.121 6.502 1.00 0.00 C ATOM 812 O ASN A 55 6.806 6.719 7.397 1.00 0.00 O ATOM 813 CB ASN A 55 8.756 9.183 7.197 1.00 0.00 C ATOM 814 CG ASN A 55 7.899 9.985 6.229 1.00 0.00 C ATOM 815 OD1 ASN A 55 6.673 10.016 6.340 1.00 0.00 O ATOM 816 ND2 ASN A 55 8.537 10.662 5.289 1.00 0.00 N ATOM 0 H ASN A 55 9.407 7.887 4.780 1.00 0.00 H new ATOM 0 HA ASN A 55 9.351 7.179 7.648 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.319 9.244 8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.746 9.636 7.255 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.012 11.233 4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.554 10.613 5.226 1.00 0.00 H new ATOM 823 N ARG A 56 7.287 7.044 5.202 1.00 0.00 N ATOM 824 CA ARG A 56 6.075 6.585 4.605 1.00 0.00 C ATOM 825 C ARG A 56 4.825 6.733 5.446 1.00 0.00 C ATOM 826 O ARG A 56 3.970 5.848 5.503 1.00 0.00 O ATOM 827 CB ARG A 56 6.287 5.187 4.195 1.00 0.00 C ATOM 828 CG ARG A 56 7.725 4.727 4.252 1.00 0.00 C ATOM 829 CD ARG A 56 7.869 3.237 3.979 1.00 0.00 C ATOM 830 NE ARG A 56 9.267 2.857 3.769 1.00 0.00 N ATOM 831 CZ ARG A 56 10.092 2.480 4.745 1.00 0.00 C ATOM 832 NH1 ARG A 56 9.664 2.441 6.000 1.00 0.00 N ATOM 833 NH2 ARG A 56 11.344 2.147 4.466 1.00 0.00 N ATOM 0 H ARG A 56 7.977 7.324 4.505 1.00 0.00 H new ATOM 0 HA ARG A 56 5.870 7.234 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.686 4.540 4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.919 5.061 3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.311 5.286 3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.138 4.955 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.461 2.672 4.817 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.283 2.970 3.099 1.00 0.00 H new ATOM 0 HE ARG A 56 9.632 2.882 2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.702 2.700 6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.297 2.152 6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.678 2.179 3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.974 1.859 5.215 1.00 0.00 H new ATOM 847 N THR A 57 4.755 7.856 6.077 1.00 0.00 N ATOM 848 CA THR A 57 3.602 8.270 6.822 1.00 0.00 C ATOM 849 C THR A 57 3.032 9.557 6.223 1.00 0.00 C ATOM 850 O THR A 57 2.949 10.598 6.877 1.00 0.00 O ATOM 851 CB THR A 57 3.957 8.468 8.308 1.00 0.00 C ATOM 852 OG1 THR A 57 4.604 7.291 8.823 1.00 0.00 O ATOM 853 CG2 THR A 57 2.712 8.736 9.116 1.00 0.00 C ATOM 0 H THR A 57 5.517 8.534 6.093 1.00 0.00 H new ATOM 0 HA THR A 57 2.844 7.490 6.761 1.00 0.00 H new ATOM 0 HB THR A 57 4.630 9.322 8.387 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.537 7.273 8.523 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.981 8.873 10.163 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.225 9.638 8.745 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.030 7.891 9.024 1.00 0.00 H new ATOM 861 N GLN A 58 2.677 9.481 4.955 1.00 0.00 N ATOM 862 CA GLN A 58 1.945 10.511 4.305 1.00 0.00 C ATOM 863 C GLN A 58 0.741 9.838 3.707 1.00 0.00 C ATOM 864 O GLN A 58 0.836 8.845 2.996 1.00 0.00 O ATOM 865 CB GLN A 58 2.771 11.261 3.258 1.00 0.00 C ATOM 866 CG GLN A 58 3.239 10.402 2.115 1.00 0.00 C ATOM 867 CD GLN A 58 4.445 9.547 2.449 1.00 0.00 C ATOM 868 OE1 GLN A 58 4.315 8.402 2.880 1.00 0.00 O ATOM 869 NE2 GLN A 58 5.630 10.101 2.265 1.00 0.00 N ATOM 0 H GLN A 58 2.899 8.687 4.354 1.00 0.00 H new ATOM 0 HA GLN A 58 1.656 11.286 5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.175 12.083 2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.640 11.704 3.745 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.421 9.754 1.801 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.482 11.042 1.267 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.698 11.053 1.906 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.477 9.577 2.482 1.00 0.00 H new ATOM 878 N SER A 59 -0.376 10.399 4.025 1.00 0.00 N ATOM 879 CA SER A 59 -1.641 9.750 3.951 1.00 0.00 C ATOM 880 C SER A 59 -2.137 9.548 2.539 1.00 0.00 C ATOM 881 O SER A 59 -1.492 9.938 1.590 1.00 0.00 O ATOM 882 CB SER A 59 -2.621 10.608 4.704 1.00 0.00 C ATOM 883 OG SER A 59 -2.039 11.162 5.872 1.00 0.00 O ATOM 0 H SER A 59 -0.435 11.362 4.357 1.00 0.00 H new ATOM 0 HA SER A 59 -1.539 8.753 4.379 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.975 11.411 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.492 10.012 4.978 1.00 0.00 H new ATOM 0 HG SER A 59 -1.597 12.008 5.648 1.00 0.00 H new ATOM 889 N LEU A 60 -3.314 8.954 2.438 1.00 0.00 N ATOM 890 CA LEU A 60 -3.986 8.767 1.141 1.00 0.00 C ATOM 891 C LEU A 60 -3.907 10.025 0.277 1.00 0.00 C ATOM 892 O LEU A 60 -3.390 10.001 -0.839 1.00 0.00 O ATOM 893 CB LEU A 60 -5.481 8.531 1.332 1.00 0.00 C ATOM 894 CG LEU A 60 -5.903 7.588 2.441 1.00 0.00 C ATOM 895 CD1 LEU A 60 -7.268 7.973 2.915 1.00 0.00 C ATOM 896 CD2 LEU A 60 -5.920 6.172 1.959 1.00 0.00 C ATOM 0 H LEU A 60 -3.834 8.588 3.235 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.484 7.921 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.954 9.496 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.884 8.149 0.394 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.186 7.662 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.579 7.299 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.248 8.996 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.973 7.905 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.226 5.514 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.624 6.078 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.923 5.891 1.621 1.00 0.00 H new ATOM 908 N LYS A 61 -4.402 11.127 0.824 1.00 0.00 N ATOM 909 CA LYS A 61 -4.410 12.396 0.112 1.00 0.00 C ATOM 910 C LYS A 61 -3.020 12.999 -0.008 1.00 0.00 C ATOM 911 O LYS A 61 -2.746 13.765 -0.934 1.00 0.00 O ATOM 912 CB LYS A 61 -5.441 13.393 0.640 1.00 0.00 C ATOM 913 CG LYS A 61 -5.001 14.040 1.885 1.00 0.00 C ATOM 914 CD LYS A 61 -4.717 12.968 2.878 1.00 0.00 C ATOM 915 CE LYS A 61 -4.625 13.473 4.315 1.00 0.00 C ATOM 916 NZ LYS A 61 -3.756 14.674 4.466 1.00 0.00 N ATOM 0 H LYS A 61 -4.804 11.167 1.761 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.739 12.159 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.628 14.155 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.386 12.878 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.110 14.643 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.772 14.713 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.500 12.212 2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.780 12.479 2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.627 13.711 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.241 12.674 4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.066 14.510 5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.252 14.852 3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.343 15.500 4.702 1.00 0.00 H new ATOM 930 N GLU A 62 -2.132 12.648 0.913 1.00 0.00 N ATOM 931 CA GLU A 62 -0.766 13.158 0.854 1.00 0.00 C ATOM 932 C GLU A 62 0.037 12.383 -0.178 1.00 0.00 C ATOM 933 O GLU A 62 0.922 12.932 -0.831 1.00 0.00 O ATOM 934 CB GLU A 62 -0.100 13.071 2.209 1.00 0.00 C ATOM 935 CG GLU A 62 -0.905 13.729 3.306 1.00 0.00 C ATOM 936 CD GLU A 62 -0.171 13.781 4.625 1.00 0.00 C ATOM 937 OE1 GLU A 62 -0.114 12.742 5.307 1.00 0.00 O ATOM 938 OE2 GLU A 62 0.327 14.852 4.992 1.00 0.00 O ATOM 0 H GLU A 62 -2.326 12.024 1.696 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.803 14.207 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.060 12.023 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.882 13.540 2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.165 14.743 3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.841 13.186 3.438 1.00 0.00 H new ATOM 945 N LEU A 63 -0.285 11.104 -0.308 1.00 0.00 N ATOM 946 CA LEU A 63 0.327 10.247 -1.313 1.00 0.00 C ATOM 947 C LEU A 63 -0.086 10.675 -2.703 1.00 0.00 C ATOM 948 O LEU A 63 0.751 10.834 -3.594 1.00 0.00 O ATOM 949 CB LEU A 63 -0.069 8.773 -1.136 1.00 0.00 C ATOM 950 CG LEU A 63 0.420 8.095 0.136 1.00 0.00 C ATOM 951 CD1 LEU A 63 -0.169 6.699 0.248 1.00 0.00 C ATOM 952 CD2 LEU A 63 1.935 8.023 0.142 1.00 0.00 C ATOM 0 H LEU A 63 -0.975 10.633 0.277 1.00 0.00 H new ATOM 0 HA LEU A 63 1.405 10.346 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.156 8.704 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.309 8.212 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 63 0.092 8.684 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.189 6.225 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.257 6.764 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.138 6.105 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.272 7.536 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.275 7.450 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.347 9.031 0.094 1.00 0.00 H new ATOM 964 N GLY A 64 -1.383 10.857 -2.887 1.00 0.00 N ATOM 965 CA GLY A 64 -1.910 11.114 -4.203 1.00 0.00 C ATOM 966 C GLY A 64 -2.766 9.955 -4.659 1.00 0.00 C ATOM 967 O GLY A 64 -2.811 9.637 -5.843 1.00 0.00 O ATOM 0 H GLY A 64 -2.081 10.831 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.501 12.030 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.092 11.270 -4.906 1.00 0.00 H new ATOM 971 N LEU A 65 -3.450 9.323 -3.701 1.00 0.00 N ATOM 972 CA LEU A 65 -4.243 8.125 -3.979 1.00 0.00 C ATOM 973 C LEU A 65 -5.599 8.519 -4.594 1.00 0.00 C ATOM 974 O LEU A 65 -6.037 9.666 -4.471 1.00 0.00 O ATOM 975 CB LEU A 65 -4.432 7.306 -2.690 1.00 0.00 C ATOM 976 CG LEU A 65 -3.229 6.514 -2.181 1.00 0.00 C ATOM 977 CD1 LEU A 65 -3.453 6.072 -0.748 1.00 0.00 C ATOM 978 CD2 LEU A 65 -2.949 5.303 -3.032 1.00 0.00 C ATOM 0 H LEU A 65 -3.470 9.622 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.713 7.503 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.746 7.988 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.252 6.607 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.366 7.178 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.586 5.509 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.594 6.948 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.340 5.441 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.086 4.770 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.817 4.644 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.741 5.617 -4.055 1.00 0.00 H new ATOM 990 N LYS A 66 -6.254 7.553 -5.235 1.00 0.00 N ATOM 991 CA LYS A 66 -7.373 7.907 -6.140 1.00 0.00 C ATOM 992 C LYS A 66 -8.358 6.798 -6.504 1.00 0.00 C ATOM 993 O LYS A 66 -8.544 5.847 -5.780 1.00 0.00 O ATOM 994 CB LYS A 66 -6.829 8.520 -7.443 1.00 0.00 C ATOM 995 CG LYS A 66 -5.979 7.578 -8.282 1.00 0.00 C ATOM 996 CD LYS A 66 -4.532 7.578 -7.846 1.00 0.00 C ATOM 997 CE LYS A 66 -3.750 8.700 -8.507 1.00 0.00 C ATOM 998 NZ LYS A 66 -3.528 8.445 -9.954 1.00 0.00 N ATOM 0 H LYS A 66 -6.050 6.556 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.952 8.615 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.670 8.863 -8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.235 9.400 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.379 6.567 -8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.041 7.870 -9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.478 7.685 -6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.076 6.620 -8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.288 9.640 -8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.788 8.815 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.525 8.226 -10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.113 7.641 -10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.791 9.290 -10.500 1.00 0.00 H new ATOM 1012 N THR A 67 -9.081 7.038 -7.599 1.00 0.00 N ATOM 1013 CA THR A 67 -9.980 6.051 -8.192 1.00 0.00 C ATOM 1014 C THR A 67 -9.190 4.952 -8.916 1.00 0.00 C ATOM 1015 O THR A 67 -9.722 3.898 -9.261 1.00 0.00 O ATOM 1016 CB THR A 67 -10.954 6.730 -9.179 1.00 0.00 C ATOM 1017 OG1 THR A 67 -11.504 7.916 -8.581 1.00 0.00 O ATOM 1018 CG2 THR A 67 -12.086 5.790 -9.577 1.00 0.00 C ATOM 0 H THR A 67 -9.058 7.926 -8.100 1.00 0.00 H new ATOM 0 HA THR A 67 -10.552 5.594 -7.385 1.00 0.00 H new ATOM 0 HB THR A 67 -10.395 6.992 -10.077 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.120 8.345 -9.211 1.00 0.00 H new ATOM 0 HG21 THR A 67 -12.754 6.299 -10.272 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.671 4.903 -10.056 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.644 5.495 -8.688 1.00 0.00 H new ATOM 1026 N ASP A 68 -7.919 5.216 -9.168 1.00 0.00 N ATOM 1027 CA ASP A 68 -7.080 4.278 -9.895 1.00 0.00 C ATOM 1028 C ASP A 68 -5.754 4.076 -9.183 1.00 0.00 C ATOM 1029 O ASP A 68 -4.710 3.918 -9.820 1.00 0.00 O ATOM 1030 CB ASP A 68 -6.844 4.748 -11.340 1.00 0.00 C ATOM 1031 CG ASP A 68 -6.305 6.167 -11.434 1.00 0.00 C ATOM 1032 OD1 ASP A 68 -5.091 6.377 -11.222 1.00 0.00 O ATOM 1033 OD2 ASP A 68 -7.097 7.086 -11.738 1.00 0.00 O ATOM 0 H ASP A 68 -7.445 6.072 -8.880 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.605 3.323 -9.929 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.143 4.068 -11.825 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.782 4.686 -11.892 1.00 0.00 H new ATOM 1038 N ASP A 69 -5.790 4.063 -7.859 1.00 0.00 N ATOM 1039 CA ASP A 69 -4.591 3.886 -7.083 1.00 0.00 C ATOM 1040 C ASP A 69 -4.394 2.423 -6.717 1.00 0.00 C ATOM 1041 O ASP A 69 -5.169 1.553 -7.117 1.00 0.00 O ATOM 1042 CB ASP A 69 -4.628 4.759 -5.836 1.00 0.00 C ATOM 1043 CG ASP A 69 -5.904 4.606 -5.047 1.00 0.00 C ATOM 1044 OD1 ASP A 69 -6.874 4.059 -5.592 1.00 0.00 O ATOM 1045 OD2 ASP A 69 -5.946 5.056 -3.889 1.00 0.00 O ATOM 0 H ASP A 69 -6.641 4.174 -7.308 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.741 4.196 -7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.781 4.508 -5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.510 5.803 -6.126 1.00 0.00 H new ATOM 1050 N LEU A 70 -3.326 2.169 -5.988 1.00 0.00 N ATOM 1051 CA LEU A 70 -2.811 0.842 -5.757 1.00 0.00 C ATOM 1052 C LEU A 70 -1.747 0.902 -4.695 1.00 0.00 C ATOM 1053 O LEU A 70 -1.230 1.985 -4.411 1.00 0.00 O ATOM 1054 CB LEU A 70 -2.228 0.249 -7.027 1.00 0.00 C ATOM 1055 CG LEU A 70 -0.983 0.897 -7.584 1.00 0.00 C ATOM 1056 CD1 LEU A 70 -1.120 2.385 -7.514 1.00 0.00 C ATOM 1057 CD2 LEU A 70 0.303 0.420 -6.919 1.00 0.00 C ATOM 0 H LEU A 70 -2.782 2.900 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.633 0.204 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.006 -0.801 -6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.998 0.279 -7.798 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.894 0.588 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.221 2.852 -7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.985 2.699 -8.099 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.254 2.690 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.156 0.928 -7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.267 0.647 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.407 -0.656 -7.058 1.00 0.00 H new ATOM 1069 N LEU A 71 -1.416 -0.212 -4.088 1.00 0.00 N ATOM 1070 CA LEU A 71 -0.102 -0.321 -3.538 1.00 0.00 C ATOM 1071 C LEU A 71 0.391 -1.742 -3.690 1.00 0.00 C ATOM 1072 O LEU A 71 -0.379 -2.657 -4.000 1.00 0.00 O ATOM 1073 CB LEU A 71 -0.144 0.120 -2.104 1.00 0.00 C ATOM 1074 CG LEU A 71 -1.139 -0.665 -1.327 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -0.490 -1.903 -0.807 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -1.782 0.173 -0.258 1.00 0.00 C ATOM 0 H LEU A 71 -2.019 -1.026 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 71 0.600 0.322 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.843 0.004 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.394 1.180 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.958 -0.974 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.216 -2.482 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.125 -2.501 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.346 -1.632 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.504 -0.430 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.017 0.538 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.292 1.020 -0.717 1.00 0.00 H new ATOM 1088 N LEU A 72 1.665 -1.919 -3.483 1.00 0.00 N ATOM 1089 CA LEU A 72 2.259 -3.256 -3.615 1.00 0.00 C ATOM 1090 C LEU A 72 3.073 -3.687 -2.451 1.00 0.00 C ATOM 1091 O LEU A 72 3.887 -2.952 -1.927 1.00 0.00 O ATOM 1092 CB LEU A 72 3.140 -3.387 -4.820 1.00 0.00 C ATOM 1093 CG LEU A 72 2.376 -3.292 -6.108 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.828 -2.103 -6.937 1.00 0.00 C ATOM 1095 CD2 LEU A 72 2.503 -4.589 -6.877 1.00 0.00 C ATOM 0 H LEU A 72 2.319 -1.180 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 72 1.380 -3.895 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.901 -2.607 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.662 -4.343 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 72 1.323 -3.130 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.253 -2.065 -7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.668 -1.184 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.888 -2.205 -7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.946 -4.514 -7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.554 -4.781 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.101 -5.407 -6.280 1.00 0.00 H new ATOM 1107 N ILE A 73 2.923 -4.934 -2.145 1.00 0.00 N ATOM 1108 CA ILE A 73 3.669 -5.496 -1.012 1.00 0.00 C ATOM 1109 C ILE A 73 4.843 -6.251 -1.408 1.00 0.00 C ATOM 1110 O ILE A 73 4.808 -7.434 -1.708 1.00 0.00 O ATOM 1111 CB ILE A 73 2.857 -6.298 -0.007 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.132 -5.280 0.768 1.00 0.00 C ATOM 1113 CG2 ILE A 73 3.720 -7.160 0.916 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.959 -4.029 0.981 1.00 0.00 C ATOM 0 H ILE A 73 2.313 -5.588 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 73 3.985 -4.593 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 73 2.203 -7.007 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.209 -5.020 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.848 -5.695 1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.079 -7.706 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.296 -7.868 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.401 -6.521 1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.383 -3.306 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.870 -4.283 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.221 -3.597 0.015 1.00 0.00 H new ATOM 1126 N ARG A 74 5.915 -5.587 -1.280 1.00 0.00 N ATOM 1127 CA ARG A 74 7.104 -6.106 -1.757 1.00 0.00 C ATOM 1128 C ARG A 74 7.924 -6.407 -0.575 1.00 0.00 C ATOM 1129 O ARG A 74 7.599 -6.000 0.524 1.00 0.00 O ATOM 1130 CB ARG A 74 7.669 -5.107 -2.711 1.00 0.00 C ATOM 1131 CG ARG A 74 9.117 -5.117 -2.938 1.00 0.00 C ATOM 1132 CD ARG A 74 9.351 -4.661 -4.356 1.00 0.00 C ATOM 1133 NE ARG A 74 9.915 -5.673 -5.233 1.00 0.00 N ATOM 1134 CZ ARG A 74 10.774 -5.396 -6.210 1.00 0.00 C ATOM 1135 NH1 ARG A 74 11.278 -4.172 -6.315 1.00 0.00 N ATOM 1136 NH2 ARG A 74 11.139 -6.337 -7.068 1.00 0.00 N ATOM 0 H ARG A 74 5.985 -4.669 -0.840 1.00 0.00 H new ATOM 0 HA ARG A 74 7.020 -7.035 -2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.179 -5.250 -3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.393 -4.114 -2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.621 -4.456 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.523 -6.117 -2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.404 -4.323 -4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.019 -3.799 -4.341 1.00 0.00 H new ATOM 0 HE ARG A 74 9.638 -6.645 -5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.006 -3.450 -5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.937 -3.954 -7.062 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.761 -7.280 -6.982 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.798 -6.118 -7.815 1.00 0.00 H new ATOM 1150 N GLY A 75 8.925 -7.139 -0.775 1.00 0.00 N ATOM 1151 CA GLY A 75 9.554 -7.750 0.353 1.00 0.00 C ATOM 1152 C GLY A 75 10.952 -8.147 0.134 1.00 0.00 C ATOM 1153 O GLY A 75 11.215 -9.208 -0.427 1.00 0.00 O ATOM 0 H GLY A 75 9.340 -7.343 -1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.514 -7.057 1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.980 -8.632 0.639 1.00 0.00 H new ATOM 1157 N LYS A 76 11.820 -7.302 0.656 1.00 0.00 N ATOM 1158 CA LYS A 76 13.260 -7.510 0.709 1.00 0.00 C ATOM 1159 C LYS A 76 13.748 -8.392 -0.393 1.00 0.00 C ATOM 1160 O LYS A 76 14.445 -9.389 -0.222 1.00 0.00 O ATOM 1161 CB LYS A 76 13.550 -8.100 2.018 1.00 0.00 C ATOM 1162 CG LYS A 76 12.875 -7.304 3.121 1.00 0.00 C ATOM 1163 CD LYS A 76 13.272 -5.846 3.045 1.00 0.00 C ATOM 1164 CE LYS A 76 14.759 -5.625 3.290 1.00 0.00 C ATOM 1165 NZ LYS A 76 15.172 -6.010 4.666 1.00 0.00 N ATOM 0 H LYS A 76 11.533 -6.416 1.072 1.00 0.00 H new ATOM 0 HA LYS A 76 13.778 -6.560 0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.203 -9.133 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.627 -8.121 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.792 -7.397 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.152 -7.712 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.008 -5.453 2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.699 -5.280 3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.333 -6.204 2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.000 -4.575 3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.157 -5.717 4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.553 -5.542 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.096 -7.041 4.776 1.00 0.00 H new ATOM 1179 N ILE A 77 13.331 -7.948 -1.495 1.00 0.00 N ATOM 1180 CA ILE A 77 13.517 -8.606 -2.777 1.00 0.00 C ATOM 1181 C ILE A 77 14.994 -8.811 -3.141 1.00 0.00 C ATOM 1182 O ILE A 77 15.323 -9.574 -4.049 1.00 0.00 O ATOM 1183 CB ILE A 77 12.726 -7.909 -3.910 1.00 0.00 C ATOM 1184 CG1 ILE A 77 12.725 -6.405 -3.707 1.00 0.00 C ATOM 1185 CG2 ILE A 77 11.305 -8.446 -3.967 1.00 0.00 C ATOM 1186 CD1 ILE A 77 14.101 -5.924 -3.436 1.00 0.00 C ATOM 0 H ILE A 77 12.818 -7.070 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 77 13.097 -9.606 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 77 13.213 -8.124 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 77 12.327 -5.911 -4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 77 12.070 -6.143 -2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.759 -7.947 -4.768 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.329 -9.519 -4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.806 -8.257 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 77 14.087 -4.844 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 77 14.484 -6.405 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 77 14.745 -6.169 -4.280 1.00 0.00 H new ATOM 1198 N SER A 78 15.864 -8.111 -2.427 1.00 0.00 N ATOM 1199 CA SER A 78 17.295 -8.332 -2.500 1.00 0.00 C ATOM 1200 C SER A 78 17.658 -9.750 -2.047 1.00 0.00 C ATOM 1201 O SER A 78 18.652 -10.319 -2.498 1.00 0.00 O ATOM 1202 CB SER A 78 18.005 -7.280 -1.649 1.00 0.00 C ATOM 1203 OG SER A 78 17.201 -6.902 -0.541 1.00 0.00 O ATOM 0 H SER A 78 15.593 -7.371 -1.779 1.00 0.00 H new ATOM 0 HA SER A 78 17.622 -8.235 -3.535 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.958 -7.674 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.229 -6.404 -2.258 1.00 0.00 H new ATOM 0 HG SER A 78 16.680 -6.105 -0.772 1.00 0.00 H new ATOM 1209 N ASN A 79 16.841 -10.317 -1.164 1.00 0.00 N ATOM 1210 CA ASN A 79 17.027 -11.690 -0.702 1.00 0.00 C ATOM 1211 C ASN A 79 15.716 -12.215 -0.123 1.00 0.00 C ATOM 1212 O ASN A 79 15.493 -12.167 1.091 1.00 0.00 O ATOM 1213 CB ASN A 79 18.141 -11.766 0.356 1.00 0.00 C ATOM 1214 CG ASN A 79 18.565 -13.192 0.671 1.00 0.00 C ATOM 1215 OD1 ASN A 79 17.780 -14.135 0.571 1.00 0.00 O ATOM 1216 ND2 ASN A 79 19.813 -13.360 1.072 1.00 0.00 N ATOM 0 H ASN A 79 16.038 -9.843 -0.751 1.00 0.00 H new ATOM 0 HA ASN A 79 17.323 -12.307 -1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 79 19.007 -11.205 0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 79 17.798 -11.284 1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 79 20.151 -14.293 1.309 1.00 0.00 H new ATOM 0 HD22 ASN A 79 20.438 -12.557 1.144 1.00 0.00 H new ATOM 1223 N SER A 80 14.847 -12.701 -0.997 1.00 0.00 N ATOM 1224 CA SER A 80 13.537 -13.186 -0.590 1.00 0.00 C ATOM 1225 C SER A 80 13.245 -14.538 -1.250 1.00 0.00 C ATOM 1226 O SER A 80 14.157 -15.185 -1.776 1.00 0.00 O ATOM 1227 CB SER A 80 12.463 -12.153 -0.964 1.00 0.00 C ATOM 1228 OG SER A 80 11.213 -12.449 -0.360 1.00 0.00 O ATOM 0 H SER A 80 15.027 -12.770 -1.999 1.00 0.00 H new ATOM 0 HA SER A 80 13.525 -13.326 0.491 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.790 -11.160 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.346 -12.127 -2.047 1.00 0.00 H new ATOM 0 HG SER A 80 10.602 -11.693 -0.485 1.00 0.00 H new TER 1234 SER A 80