USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 410 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 36 HIS : no HE2:sc= -2.18! C(o=-5.1!,f=-18!) USER MOD Set 1.2: A 60 TYR OH : rot -24:sc= -2.89! USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -0.147 USER MOD Set 2.2: A 20 GLN : amide:sc= -2.59! C(o=-2.7!,f=-4.9!) USER MOD Single : A 14 SER OG : rot 31:sc= 0.406 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -107:sc= -0.712 (180deg=-2.32!) USER MOD Single : A 28 MET CE :methyl 157:sc= -2.42 (180deg=-4.88!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.687! C(o=-0.69!,f=-7.9!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= -1.15 (180deg=-1.67) USER MOD Single : A 63 MET CE :methyl -152:sc= -0.272 (180deg=-1.24) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -151:sc= -2.44 (180deg=-5.49!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.56 K(o=-0.56,f=-1.9) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.141 F(o=-1.1,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 7.260 -1.318 -7.863 1.00 0.00 N ATOM 24 CA SER A 14 5.880 -1.702 -7.451 1.00 0.00 C ATOM 25 C SER A 14 5.703 -1.450 -5.953 1.00 0.00 C ATOM 26 O SER A 14 6.656 -1.224 -5.234 1.00 0.00 O ATOM 27 CB SER A 14 5.650 -3.186 -7.744 1.00 0.00 C ATOM 28 OG SER A 14 6.165 -3.498 -9.030 1.00 0.00 O ATOM 0 HA SER A 14 5.160 -1.104 -8.010 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.139 -3.798 -6.986 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.585 -3.416 -7.701 1.00 0.00 H new ATOM 0 HG SER A 14 6.935 -2.923 -9.222 1.00 0.00 H new ATOM 34 N ILE A 15 4.481 -1.487 -5.484 1.00 0.00 N ATOM 35 CA ILE A 15 4.201 -1.255 -4.031 1.00 0.00 C ATOM 36 C ILE A 15 3.508 -2.486 -3.437 1.00 0.00 C ATOM 37 O ILE A 15 2.573 -3.013 -4.001 1.00 0.00 O ATOM 38 CB ILE A 15 3.293 -0.028 -3.886 1.00 0.00 C ATOM 39 CG1 ILE A 15 4.003 1.195 -4.478 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.998 0.231 -2.406 1.00 0.00 C ATOM 41 CD1 ILE A 15 3.039 2.386 -4.542 1.00 0.00 C ATOM 0 H ILE A 15 3.654 -1.670 -6.052 1.00 0.00 H new ATOM 0 HA ILE A 15 5.136 -1.083 -3.499 1.00 0.00 H new ATOM 0 HB ILE A 15 2.356 -0.209 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.870 1.452 -3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.372 0.962 -5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.352 1.104 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.499 -0.638 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.933 0.411 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.554 3.249 -4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.186 2.130 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.691 2.627 -3.538 1.00 0.00 H new ATOM 53 N TRP A 16 3.960 -2.941 -2.296 1.00 0.00 N ATOM 54 CA TRP A 16 3.331 -4.134 -1.642 1.00 0.00 C ATOM 55 C TRP A 16 3.259 -3.874 -0.130 1.00 0.00 C ATOM 56 O TRP A 16 4.222 -3.444 0.471 1.00 0.00 O ATOM 57 CB TRP A 16 4.194 -5.371 -1.901 1.00 0.00 C ATOM 58 CG TRP A 16 4.291 -5.644 -3.371 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.204 -5.094 -4.207 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.474 -6.533 -4.190 1.00 0.00 C ATOM 61 NE1 TRP A 16 5.002 -5.591 -5.482 1.00 0.00 N ATOM 62 CE2 TRP A 16 3.946 -6.480 -5.524 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.380 -7.371 -3.909 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.357 -7.233 -6.540 1.00 0.00 C ATOM 65 CZ3 TRP A 16 1.783 -8.130 -4.930 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.271 -8.061 -6.241 1.00 0.00 C ATOM 0 H TRP A 16 4.744 -2.536 -1.784 1.00 0.00 H new ATOM 0 HA TRP A 16 2.333 -4.301 -2.046 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.191 -5.220 -1.487 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.765 -6.234 -1.392 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.966 -4.383 -3.924 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.565 -5.332 -6.293 1.00 0.00 H new ATOM 0 HE3 TRP A 16 1.996 -7.432 -2.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 3.737 -7.177 -7.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 0.943 -8.770 -4.702 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.808 -8.647 -7.021 1.00 0.00 H new ATOM 77 N CYS A 17 2.123 -4.114 0.492 1.00 0.00 N ATOM 78 CA CYS A 17 1.992 -3.854 1.970 1.00 0.00 C ATOM 79 C CYS A 17 1.400 -5.074 2.690 1.00 0.00 C ATOM 80 O CYS A 17 0.504 -5.729 2.197 1.00 0.00 O ATOM 81 CB CYS A 17 1.072 -2.649 2.188 1.00 0.00 C ATOM 82 SG CYS A 17 1.928 -1.135 1.682 1.00 0.00 S ATOM 0 H CYS A 17 1.283 -4.478 0.042 1.00 0.00 H new ATOM 0 HA CYS A 17 2.983 -3.655 2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.154 -2.770 1.613 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.784 -2.583 3.237 1.00 0.00 H new ATOM 0 HG CYS A 17 1.146 -0.113 1.865 1.00 0.00 H new ATOM 88 N SER A 18 1.897 -5.366 3.868 1.00 0.00 N ATOM 89 CA SER A 18 1.377 -6.525 4.654 1.00 0.00 C ATOM 90 C SER A 18 -0.008 -6.165 5.205 1.00 0.00 C ATOM 91 O SER A 18 -0.388 -5.012 5.230 1.00 0.00 O ATOM 92 CB SER A 18 2.346 -6.819 5.816 1.00 0.00 C ATOM 93 OG SER A 18 1.647 -6.787 7.056 1.00 0.00 O ATOM 0 H SER A 18 2.648 -4.845 4.321 1.00 0.00 H new ATOM 0 HA SER A 18 1.298 -7.409 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.809 -7.796 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.150 -6.083 5.824 1.00 0.00 H new ATOM 0 HG SER A 18 2.270 -6.976 7.788 1.00 0.00 H new ATOM 99 N PRO A 19 -0.761 -7.144 5.638 1.00 0.00 N ATOM 100 CA PRO A 19 -2.128 -6.917 6.189 1.00 0.00 C ATOM 101 C PRO A 19 -2.125 -5.946 7.375 1.00 0.00 C ATOM 102 O PRO A 19 -2.979 -5.091 7.484 1.00 0.00 O ATOM 103 CB PRO A 19 -2.608 -8.320 6.617 1.00 0.00 C ATOM 104 CG PRO A 19 -1.373 -9.167 6.669 1.00 0.00 C ATOM 105 CD PRO A 19 -0.401 -8.568 5.653 1.00 0.00 C ATOM 0 HA PRO A 19 -2.785 -6.455 5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.102 -8.286 7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.330 -8.722 5.906 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.941 -9.164 7.670 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.602 -10.204 6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.636 -8.717 5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.517 -9.022 4.669 1.00 0.00 H new ATOM 113 N GLN A 20 -1.181 -6.064 8.265 1.00 0.00 N ATOM 114 CA GLN A 20 -1.161 -5.131 9.418 1.00 0.00 C ATOM 115 C GLN A 20 -1.031 -3.705 8.887 1.00 0.00 C ATOM 116 O GLN A 20 -1.706 -2.797 9.337 1.00 0.00 O ATOM 117 CB GLN A 20 0.026 -5.458 10.324 1.00 0.00 C ATOM 118 CG GLN A 20 -0.265 -6.731 11.123 1.00 0.00 C ATOM 119 CD GLN A 20 -0.349 -7.926 10.172 1.00 0.00 C ATOM 120 OE1 GLN A 20 -1.427 -8.387 9.853 1.00 0.00 O ATOM 121 NE2 GLN A 20 0.749 -8.447 9.701 1.00 0.00 N ATOM 0 H GLN A 20 -0.433 -6.757 8.244 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.080 -5.229 9.995 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.926 -5.592 9.724 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.216 -4.627 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.519 -6.896 11.862 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.201 -6.623 11.671 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.653 -8.059 9.969 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.704 -9.242 9.064 1.00 0.00 H new ATOM 130 N GLU A 21 -0.186 -3.500 7.911 1.00 0.00 N ATOM 131 CA GLU A 21 -0.046 -2.133 7.340 1.00 0.00 C ATOM 132 C GLU A 21 -1.386 -1.729 6.732 1.00 0.00 C ATOM 133 O GLU A 21 -1.833 -0.609 6.877 1.00 0.00 O ATOM 134 CB GLU A 21 1.042 -2.121 6.261 1.00 0.00 C ATOM 135 CG GLU A 21 2.420 -2.285 6.914 1.00 0.00 C ATOM 136 CD GLU A 21 3.504 -2.278 5.833 1.00 0.00 C ATOM 137 OE1 GLU A 21 3.150 -2.328 4.666 1.00 0.00 O ATOM 138 OE2 GLU A 21 4.670 -2.222 6.190 1.00 0.00 O ATOM 0 H GLU A 21 0.407 -4.214 7.489 1.00 0.00 H new ATOM 0 HA GLU A 21 0.239 -1.430 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.869 -2.927 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.003 -1.186 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.595 -1.477 7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.459 -3.218 7.476 1.00 0.00 H new ATOM 145 N ILE A 22 -2.044 -2.644 6.071 1.00 0.00 N ATOM 146 CA ILE A 22 -3.367 -2.313 5.479 1.00 0.00 C ATOM 147 C ILE A 22 -4.382 -2.125 6.612 1.00 0.00 C ATOM 148 O ILE A 22 -5.138 -1.175 6.624 1.00 0.00 O ATOM 149 CB ILE A 22 -3.823 -3.444 4.544 1.00 0.00 C ATOM 150 CG1 ILE A 22 -2.935 -3.450 3.292 1.00 0.00 C ATOM 151 CG2 ILE A 22 -5.287 -3.223 4.139 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.232 -4.694 2.445 1.00 0.00 C ATOM 0 H ILE A 22 -1.723 -3.600 5.917 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.291 -1.394 4.898 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.737 -4.401 5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.113 -2.549 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.884 -3.439 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.606 -4.027 3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.914 -3.217 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.381 -2.268 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.598 -4.691 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.031 -5.590 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.279 -4.686 2.142 1.00 0.00 H new ATOM 164 N MET A 23 -4.417 -3.028 7.559 1.00 0.00 N ATOM 165 CA MET A 23 -5.391 -2.916 8.683 1.00 0.00 C ATOM 166 C MET A 23 -5.469 -1.481 9.210 1.00 0.00 C ATOM 167 O MET A 23 -6.493 -1.057 9.708 1.00 0.00 O ATOM 168 CB MET A 23 -4.922 -3.832 9.819 1.00 0.00 C ATOM 169 CG MET A 23 -5.211 -5.300 9.476 1.00 0.00 C ATOM 170 SD MET A 23 -6.905 -5.692 9.970 1.00 0.00 S ATOM 171 CE MET A 23 -6.572 -5.956 11.734 1.00 0.00 C ATOM 0 H MET A 23 -3.807 -3.844 7.600 1.00 0.00 H new ATOM 0 HA MET A 23 -6.378 -3.204 8.322 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.854 -3.695 9.988 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.429 -3.562 10.745 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.081 -5.470 8.407 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.507 -5.953 9.991 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.626 -7.021 11.959 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.576 -5.584 11.976 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.313 -5.421 12.328 1.00 0.00 H new ATOM 181 N ALA A 24 -4.409 -0.731 9.130 1.00 0.00 N ATOM 182 CA ALA A 24 -4.467 0.660 9.660 1.00 0.00 C ATOM 183 C ALA A 24 -5.192 1.560 8.660 1.00 0.00 C ATOM 184 O ALA A 24 -5.524 2.689 8.958 1.00 0.00 O ATOM 185 CB ALA A 24 -3.048 1.182 9.884 1.00 0.00 C ATOM 0 H ALA A 24 -3.516 -1.014 8.727 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.007 0.664 10.607 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.092 2.200 10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.534 0.542 10.601 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.505 1.177 8.939 1.00 0.00 H new ATOM 191 N ALA A 25 -5.451 1.068 7.477 1.00 0.00 N ATOM 192 CA ALA A 25 -6.166 1.897 6.464 1.00 0.00 C ATOM 193 C ALA A 25 -7.675 1.775 6.688 1.00 0.00 C ATOM 194 O ALA A 25 -8.235 0.698 6.643 1.00 0.00 O ATOM 195 CB ALA A 25 -5.812 1.408 5.057 1.00 0.00 C ATOM 0 H ALA A 25 -5.198 0.129 7.169 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.865 2.940 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.335 2.015 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.737 1.495 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.112 0.366 4.948 1.00 0.00 H new ATOM 201 N ASP A 26 -8.335 2.871 6.932 1.00 0.00 N ATOM 202 CA ASP A 26 -9.806 2.825 7.165 1.00 0.00 C ATOM 203 C ASP A 26 -10.506 2.247 5.932 1.00 0.00 C ATOM 204 O ASP A 26 -11.458 1.497 6.036 1.00 0.00 O ATOM 205 CB ASP A 26 -10.324 4.243 7.428 1.00 0.00 C ATOM 206 CG ASP A 26 -11.762 4.174 7.947 1.00 0.00 C ATOM 207 OD1 ASP A 26 -12.376 3.131 7.795 1.00 0.00 O ATOM 208 OD2 ASP A 26 -12.222 5.164 8.492 1.00 0.00 O ATOM 0 H ASP A 26 -7.918 3.801 6.980 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.016 2.193 8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.687 4.745 8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.285 4.832 6.511 1.00 0.00 H new ATOM 213 N GLY A 27 -10.051 2.607 4.764 1.00 0.00 N ATOM 214 CA GLY A 27 -10.689 2.108 3.511 1.00 0.00 C ATOM 215 C GLY A 27 -10.929 0.595 3.576 1.00 0.00 C ATOM 216 O GLY A 27 -11.793 0.077 2.895 1.00 0.00 O ATOM 0 H GLY A 27 -9.257 3.231 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.637 2.623 3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.052 2.342 2.658 1.00 0.00 H new ATOM 220 N MET A 28 -10.172 -0.122 4.377 1.00 0.00 N ATOM 221 CA MET A 28 -10.355 -1.610 4.474 1.00 0.00 C ATOM 222 C MET A 28 -10.715 -1.992 5.926 1.00 0.00 C ATOM 223 O MET A 28 -9.849 -2.295 6.722 1.00 0.00 O ATOM 224 CB MET A 28 -9.043 -2.317 4.070 1.00 0.00 C ATOM 225 CG MET A 28 -8.317 -1.517 2.988 1.00 0.00 C ATOM 226 SD MET A 28 -9.402 -1.299 1.556 1.00 0.00 S ATOM 227 CE MET A 28 -8.157 -0.651 0.410 1.00 0.00 C ATOM 0 H MET A 28 -9.434 0.259 4.969 1.00 0.00 H new ATOM 0 HA MET A 28 -11.158 -1.920 3.806 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.399 -2.428 4.942 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.261 -3.320 3.704 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.018 -0.545 3.380 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.405 -2.035 2.690 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.482 -0.825 -0.616 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.033 0.419 0.575 1.00 0.00 H new ATOM 0 HE3 MET A 28 -7.207 -1.157 0.581 1.00 0.00 H new ATOM 237 N PRO A 29 -11.977 -1.975 6.285 1.00 0.00 N ATOM 238 CA PRO A 29 -12.405 -2.324 7.666 1.00 0.00 C ATOM 239 C PRO A 29 -12.471 -3.835 7.878 1.00 0.00 C ATOM 240 O PRO A 29 -12.663 -4.592 6.946 1.00 0.00 O ATOM 241 CB PRO A 29 -13.796 -1.708 7.772 1.00 0.00 C ATOM 242 CG PRO A 29 -14.340 -1.782 6.380 1.00 0.00 C ATOM 243 CD PRO A 29 -13.135 -1.632 5.435 1.00 0.00 C ATOM 0 HA PRO A 29 -11.707 -1.957 8.419 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.422 -2.259 8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.749 -0.678 8.127 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.850 -2.731 6.212 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.071 -0.992 6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.214 -2.300 4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.057 -0.618 5.043 1.00 0.00 H new ATOM 251 N GLY A 30 -12.304 -4.276 9.096 1.00 0.00 N ATOM 252 CA GLY A 30 -12.340 -5.737 9.397 1.00 0.00 C ATOM 253 C GLY A 30 -10.944 -6.161 9.843 1.00 0.00 C ATOM 254 O GLY A 30 -9.978 -5.456 9.631 1.00 0.00 O ATOM 0 H GLY A 30 -12.142 -3.678 9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.070 -5.947 10.179 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.646 -6.300 8.515 1.00 0.00 H new ATOM 258 N SER A 31 -10.822 -7.293 10.471 1.00 0.00 N ATOM 259 CA SER A 31 -9.480 -7.747 10.942 1.00 0.00 C ATOM 260 C SER A 31 -8.653 -8.230 9.747 1.00 0.00 C ATOM 261 O SER A 31 -9.011 -8.012 8.606 1.00 0.00 O ATOM 262 CB SER A 31 -9.657 -8.898 11.934 1.00 0.00 C ATOM 263 OG SER A 31 -10.093 -10.054 11.229 1.00 0.00 O ATOM 0 H SER A 31 -11.593 -7.927 10.681 1.00 0.00 H new ATOM 0 HA SER A 31 -8.965 -6.918 11.428 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.717 -9.102 12.446 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.384 -8.627 12.699 1.00 0.00 H new ATOM 0 HG SER A 31 -10.207 -10.797 11.858 1.00 0.00 H new ATOM 269 N VAL A 32 -7.542 -8.879 9.991 1.00 0.00 N ATOM 270 CA VAL A 32 -6.704 -9.353 8.851 1.00 0.00 C ATOM 271 C VAL A 32 -7.575 -10.215 7.936 1.00 0.00 C ATOM 272 O VAL A 32 -7.636 -10.001 6.742 1.00 0.00 O ATOM 273 CB VAL A 32 -5.527 -10.189 9.378 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.740 -10.764 8.199 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.605 -9.309 10.227 1.00 0.00 C ATOM 0 H VAL A 32 -7.183 -9.099 10.920 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.309 -8.499 8.301 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.912 -11.004 9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.905 -11.357 8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.394 -11.397 7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.359 -9.949 7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.772 -9.906 10.598 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.221 -8.490 9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.164 -8.903 11.070 1.00 0.00 H new ATOM 285 N ALA A 33 -8.269 -11.168 8.488 1.00 0.00 N ATOM 286 CA ALA A 33 -9.159 -12.021 7.655 1.00 0.00 C ATOM 287 C ALA A 33 -10.272 -11.152 7.061 1.00 0.00 C ATOM 288 O ALA A 33 -10.682 -11.334 5.933 1.00 0.00 O ATOM 289 CB ALA A 33 -9.769 -13.116 8.531 1.00 0.00 C ATOM 0 H ALA A 33 -8.259 -11.394 9.483 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.588 -12.481 6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.422 -13.744 7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.973 -13.726 8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.347 -12.659 9.334 1.00 0.00 H new ATOM 295 N GLY A 34 -10.763 -10.200 7.811 1.00 0.00 N ATOM 296 CA GLY A 34 -11.845 -9.320 7.281 1.00 0.00 C ATOM 297 C GLY A 34 -11.341 -8.640 6.012 1.00 0.00 C ATOM 298 O GLY A 34 -12.055 -8.507 5.036 1.00 0.00 O ATOM 0 H GLY A 34 -10.463 -9.995 8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.739 -9.906 7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.124 -8.574 8.025 1.00 0.00 H new ATOM 302 N VAL A 35 -10.105 -8.230 6.009 1.00 0.00 N ATOM 303 CA VAL A 35 -9.538 -7.588 4.797 1.00 0.00 C ATOM 304 C VAL A 35 -9.557 -8.614 3.664 1.00 0.00 C ATOM 305 O VAL A 35 -9.877 -8.305 2.532 1.00 0.00 O ATOM 306 CB VAL A 35 -8.099 -7.156 5.095 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.389 -6.755 3.800 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.123 -5.962 6.053 1.00 0.00 C ATOM 0 H VAL A 35 -9.463 -8.313 6.797 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.119 -6.712 4.509 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.561 -7.988 5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.367 -6.450 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.372 -7.604 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.921 -5.925 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.102 -5.649 6.270 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.666 -5.137 5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.619 -6.249 6.980 1.00 0.00 H new ATOM 318 N HIS A 36 -9.236 -9.843 3.969 1.00 0.00 N ATOM 319 CA HIS A 36 -9.256 -10.895 2.920 1.00 0.00 C ATOM 320 C HIS A 36 -10.695 -11.075 2.428 1.00 0.00 C ATOM 321 O HIS A 36 -10.942 -11.251 1.252 1.00 0.00 O ATOM 322 CB HIS A 36 -8.752 -12.220 3.511 1.00 0.00 C ATOM 323 CG HIS A 36 -7.270 -12.140 3.759 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.718 -11.291 4.704 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.215 -12.812 3.199 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.384 -11.474 4.683 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.025 -12.392 3.784 1.00 0.00 N ATOM 0 H HIS A 36 -8.962 -10.160 4.899 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.612 -10.602 2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.274 -12.434 4.443 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.971 -13.040 2.827 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.229 -10.645 5.306 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.296 -13.556 2.420 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.689 -10.942 5.317 1.00 0.00 H new ATOM 335 N TYR A 37 -11.646 -11.036 3.325 1.00 0.00 N ATOM 336 CA TYR A 37 -13.069 -11.209 2.919 1.00 0.00 C ATOM 337 C TYR A 37 -13.479 -10.115 1.929 1.00 0.00 C ATOM 338 O TYR A 37 -14.029 -10.392 0.884 1.00 0.00 O ATOM 339 CB TYR A 37 -13.961 -11.140 4.162 1.00 0.00 C ATOM 340 CG TYR A 37 -15.403 -11.342 3.760 1.00 0.00 C ATOM 341 CD1 TYR A 37 -15.933 -12.636 3.696 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.212 -10.238 3.456 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.269 -12.829 3.326 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.549 -10.433 3.087 1.00 0.00 C ATOM 345 CZ TYR A 37 -18.075 -11.727 3.023 1.00 0.00 C ATOM 346 OH TYR A 37 -19.391 -11.918 2.658 1.00 0.00 O ATOM 0 H TYR A 37 -11.496 -10.891 4.323 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.185 -12.178 2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.662 -11.904 4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.842 -10.175 4.655 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.310 -13.486 3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.805 -9.239 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.677 -13.828 3.275 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.174 -9.584 2.852 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.811 -11.050 2.482 1.00 0.00 H new ATOM 356 N ARG A 38 -13.218 -8.873 2.241 1.00 0.00 N ATOM 357 CA ARG A 38 -13.608 -7.785 1.297 1.00 0.00 C ATOM 358 C ARG A 38 -12.800 -7.905 0.002 1.00 0.00 C ATOM 359 O ARG A 38 -13.342 -7.893 -1.086 1.00 0.00 O ATOM 360 CB ARG A 38 -13.351 -6.416 1.941 1.00 0.00 C ATOM 361 CG ARG A 38 -13.669 -5.311 0.930 1.00 0.00 C ATOM 362 CD ARG A 38 -13.643 -3.948 1.621 1.00 0.00 C ATOM 363 NE ARG A 38 -13.698 -2.881 0.583 1.00 0.00 N ATOM 364 CZ ARG A 38 -13.977 -1.648 0.914 1.00 0.00 C ATOM 365 NH1 ARG A 38 -14.236 -1.342 2.158 1.00 0.00 N ATOM 366 NH2 ARG A 38 -13.999 -0.719 -0.003 1.00 0.00 N ATOM 0 H ARG A 38 -12.757 -8.567 3.098 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.670 -7.879 1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.969 -6.299 2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.312 -6.342 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.943 -5.330 0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.649 -5.484 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.488 -3.855 2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.738 -3.846 2.219 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.517 -3.114 -0.393 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.221 -2.067 2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.453 -0.378 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.799 -0.957 -0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.216 0.244 0.252 1.00 0.00 H new ATOM 380 N ALA A 39 -11.506 -7.990 0.108 1.00 0.00 N ATOM 381 CA ALA A 39 -10.659 -8.074 -1.112 1.00 0.00 C ATOM 382 C ALA A 39 -10.934 -9.372 -1.877 1.00 0.00 C ATOM 383 O ALA A 39 -10.437 -9.564 -2.968 1.00 0.00 O ATOM 384 CB ALA A 39 -9.189 -8.025 -0.702 1.00 0.00 C ATOM 0 H ALA A 39 -10.996 -8.005 0.991 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.896 -7.234 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.561 -8.086 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.988 -7.090 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.967 -8.864 -0.043 1.00 0.00 H new ATOM 390 N ASN A 40 -11.707 -10.268 -1.331 1.00 0.00 N ATOM 391 CA ASN A 40 -11.979 -11.542 -2.056 1.00 0.00 C ATOM 392 C ASN A 40 -12.764 -11.250 -3.341 1.00 0.00 C ATOM 393 O ASN A 40 -12.522 -11.839 -4.376 1.00 0.00 O ATOM 394 CB ASN A 40 -12.796 -12.471 -1.159 1.00 0.00 C ATOM 395 CG ASN A 40 -13.048 -13.785 -1.893 1.00 0.00 C ATOM 396 OD1 ASN A 40 -14.172 -14.237 -1.992 1.00 0.00 O ATOM 397 ND2 ASN A 40 -12.038 -14.422 -2.416 1.00 0.00 N ATOM 0 H ASN A 40 -12.160 -10.176 -0.422 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.034 -12.020 -2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.262 -12.658 -0.227 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -13.743 -12.001 -0.895 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.190 -15.302 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.096 -14.041 -2.332 1.00 0.00 H new ATOM 404 N VAL A 41 -13.708 -10.350 -3.282 1.00 0.00 N ATOM 405 CA VAL A 41 -14.507 -10.029 -4.502 1.00 0.00 C ATOM 406 C VAL A 41 -13.615 -9.315 -5.523 1.00 0.00 C ATOM 407 O VAL A 41 -13.708 -9.548 -6.710 1.00 0.00 O ATOM 408 CB VAL A 41 -15.693 -9.127 -4.123 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.372 -8.593 -5.390 1.00 0.00 C ATOM 410 CG2 VAL A 41 -16.704 -9.944 -3.318 1.00 0.00 C ATOM 0 H VAL A 41 -13.961 -9.824 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 41 -14.888 -10.952 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.332 -8.287 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.211 -7.955 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.654 -8.015 -5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.735 -9.429 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.548 -9.311 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.057 -10.781 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.228 -10.323 -2.414 1.00 0.00 H new ATOM 420 N GLN A 42 -12.765 -8.437 -5.071 1.00 0.00 N ATOM 421 CA GLN A 42 -11.887 -7.694 -6.020 1.00 0.00 C ATOM 422 C GLN A 42 -10.734 -8.586 -6.491 1.00 0.00 C ATOM 423 O GLN A 42 -10.386 -9.562 -5.858 1.00 0.00 O ATOM 424 CB GLN A 42 -11.327 -6.460 -5.317 1.00 0.00 C ATOM 425 CG GLN A 42 -12.470 -5.478 -5.060 1.00 0.00 C ATOM 426 CD GLN A 42 -11.934 -4.230 -4.356 1.00 0.00 C ATOM 427 OE1 GLN A 42 -10.876 -3.738 -4.687 1.00 0.00 O ATOM 428 NE2 GLN A 42 -12.625 -3.697 -3.386 1.00 0.00 N ATOM 0 H GLN A 42 -12.639 -8.201 -4.087 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.472 -7.394 -6.890 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.854 -6.743 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.558 -5.992 -5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.942 -5.200 -6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.237 -5.951 -4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.515 -4.110 -3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.275 -2.867 -2.907 1.00 0.00 H new ATOM 437 N GLY A 43 -10.141 -8.249 -7.611 1.00 0.00 N ATOM 438 CA GLY A 43 -9.008 -9.064 -8.153 1.00 0.00 C ATOM 439 C GLY A 43 -7.671 -8.460 -7.710 1.00 0.00 C ATOM 440 O GLY A 43 -6.804 -8.189 -8.518 1.00 0.00 O ATOM 0 H GLY A 43 -10.395 -7.439 -8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.087 -10.092 -7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.060 -9.096 -9.241 1.00 0.00 H new ATOM 444 N TRP A 44 -7.493 -8.252 -6.434 1.00 0.00 N ATOM 445 CA TRP A 44 -6.208 -7.672 -5.944 1.00 0.00 C ATOM 446 C TRP A 44 -5.065 -8.652 -6.221 1.00 0.00 C ATOM 447 O TRP A 44 -5.210 -9.846 -6.051 1.00 0.00 O ATOM 448 CB TRP A 44 -6.279 -7.455 -4.431 1.00 0.00 C ATOM 449 CG TRP A 44 -7.188 -6.320 -4.098 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.077 -5.742 -4.939 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.296 -5.610 -2.835 1.00 0.00 C ATOM 452 NE1 TRP A 44 -8.736 -4.733 -4.261 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.287 -4.611 -2.961 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.635 -5.740 -1.601 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -8.613 -3.770 -1.897 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -6.955 -4.897 -0.532 1.00 0.00 C ATOM 457 CH2 TRP A 44 -7.944 -3.912 -0.676 1.00 0.00 C ATOM 0 H TRP A 44 -8.181 -8.458 -5.709 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.036 -6.725 -6.456 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.633 -8.364 -3.945 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.281 -7.253 -4.041 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.244 -6.022 -5.969 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.465 -4.150 -4.671 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.874 -6.497 -1.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.376 -3.015 -2.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.438 -5.005 0.410 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.188 -3.265 0.154 1.00 0.00 H new ATOM 468 N THR A 45 -3.920 -8.160 -6.609 1.00 0.00 N ATOM 469 CA THR A 45 -2.773 -9.076 -6.848 1.00 0.00 C ATOM 470 C THR A 45 -2.232 -9.506 -5.485 1.00 0.00 C ATOM 471 O THR A 45 -2.031 -8.683 -4.604 1.00 0.00 O ATOM 472 CB THR A 45 -1.678 -8.354 -7.637 1.00 0.00 C ATOM 473 OG1 THR A 45 -0.610 -9.255 -7.896 1.00 0.00 O ATOM 474 CG2 THR A 45 -1.159 -7.166 -6.830 1.00 0.00 C ATOM 0 H THR A 45 -3.731 -7.170 -6.769 1.00 0.00 H new ATOM 0 HA THR A 45 -3.094 -9.943 -7.426 1.00 0.00 H new ATOM 0 HB THR A 45 -2.090 -7.995 -8.580 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.091 -8.794 -8.403 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.380 -6.655 -7.395 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.978 -6.474 -6.634 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.748 -7.520 -5.884 1.00 0.00 H new ATOM 482 N LYS A 46 -2.032 -10.789 -5.291 1.00 0.00 N ATOM 483 CA LYS A 46 -1.545 -11.294 -3.966 1.00 0.00 C ATOM 484 C LYS A 46 -0.296 -12.156 -4.161 1.00 0.00 C ATOM 485 O LYS A 46 -0.148 -12.837 -5.156 1.00 0.00 O ATOM 486 CB LYS A 46 -2.648 -12.163 -3.352 1.00 0.00 C ATOM 487 CG LYS A 46 -3.916 -11.325 -3.196 1.00 0.00 C ATOM 488 CD LYS A 46 -5.021 -12.150 -2.522 1.00 0.00 C ATOM 489 CE LYS A 46 -5.355 -13.394 -3.361 1.00 0.00 C ATOM 490 NZ LYS A 46 -5.270 -13.070 -4.815 1.00 0.00 N ATOM 0 H LYS A 46 -2.186 -11.510 -5.996 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.303 -10.452 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.844 -13.027 -3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.329 -12.546 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.702 -10.437 -2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.255 -10.981 -4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.700 -12.452 -1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.914 -11.538 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.664 -14.201 -3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.357 -13.748 -3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.834 -13.755 -5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.638 -12.111 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.278 -13.117 -5.124 1.00 0.00 H new ATOM 504 N ARG A 47 0.600 -12.145 -3.205 1.00 0.00 N ATOM 505 CA ARG A 47 1.836 -12.981 -3.322 1.00 0.00 C ATOM 506 C ARG A 47 2.218 -13.504 -1.933 1.00 0.00 C ATOM 507 O ARG A 47 2.266 -12.762 -0.972 1.00 0.00 O ATOM 508 CB ARG A 47 2.979 -12.141 -3.912 1.00 0.00 C ATOM 509 CG ARG A 47 3.434 -11.075 -2.909 1.00 0.00 C ATOM 510 CD ARG A 47 4.396 -10.105 -3.600 1.00 0.00 C ATOM 511 NE ARG A 47 5.503 -10.869 -4.267 1.00 0.00 N ATOM 512 CZ ARG A 47 6.300 -11.655 -3.594 1.00 0.00 C ATOM 513 NH1 ARG A 47 6.267 -11.674 -2.290 1.00 0.00 N ATOM 514 NH2 ARG A 47 7.170 -12.389 -4.232 1.00 0.00 N ATOM 0 H ARG A 47 0.530 -11.594 -2.349 1.00 0.00 H new ATOM 0 HA ARG A 47 1.651 -13.826 -3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.818 -12.788 -4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.649 -11.664 -4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.571 -10.534 -2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.925 -11.547 -2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.858 -9.510 -4.338 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.811 -9.410 -2.870 1.00 0.00 H new ATOM 0 HE ARG A 47 5.636 -10.772 -5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.615 -11.072 -1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.893 -12.291 -1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.224 -12.347 -5.250 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.796 -13.005 -3.713 1.00 0.00 H new ATOM 678 N VAL A 58 1.613 -12.507 3.377 1.00 0.00 N ATOM 679 CA VAL A 58 0.887 -12.211 2.102 1.00 0.00 C ATOM 680 C VAL A 58 0.777 -10.695 1.941 1.00 0.00 C ATOM 681 O VAL A 58 0.622 -9.975 2.907 1.00 0.00 O ATOM 682 CB VAL A 58 -0.518 -12.815 2.157 1.00 0.00 C ATOM 683 CG1 VAL A 58 -1.318 -12.153 3.284 1.00 0.00 C ATOM 684 CG2 VAL A 58 -1.220 -12.574 0.817 1.00 0.00 C ATOM 0 HA VAL A 58 1.430 -12.641 1.260 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.450 -13.886 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.318 -12.584 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.814 -12.322 4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.392 -11.082 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.222 -13.002 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.289 -11.502 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.649 -13.046 0.017 1.00 0.00 H new ATOM 694 N GLU A 59 0.882 -10.201 0.733 1.00 0.00 N ATOM 695 CA GLU A 59 0.808 -8.721 0.508 1.00 0.00 C ATOM 696 C GLU A 59 -0.114 -8.409 -0.674 1.00 0.00 C ATOM 697 O GLU A 59 -0.359 -9.241 -1.528 1.00 0.00 O ATOM 698 CB GLU A 59 2.212 -8.202 0.205 1.00 0.00 C ATOM 699 CG GLU A 59 3.128 -8.506 1.393 1.00 0.00 C ATOM 700 CD GLU A 59 4.539 -7.994 1.099 1.00 0.00 C ATOM 701 OE1 GLU A 59 5.278 -8.703 0.434 1.00 0.00 O ATOM 702 OE2 GLU A 59 4.858 -6.904 1.543 1.00 0.00 O ATOM 0 H GLU A 59 1.016 -10.759 -0.110 1.00 0.00 H new ATOM 0 HA GLU A 59 0.409 -8.238 1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.600 -8.673 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.183 -7.129 0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.739 -8.033 2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.152 -9.579 1.581 1.00 0.00 H new ATOM 709 N TYR A 60 -0.624 -7.200 -0.719 1.00 0.00 N ATOM 710 CA TYR A 60 -1.537 -6.780 -1.825 1.00 0.00 C ATOM 711 C TYR A 60 -0.974 -5.503 -2.444 1.00 0.00 C ATOM 712 O TYR A 60 -0.489 -4.638 -1.742 1.00 0.00 O ATOM 713 CB TYR A 60 -2.912 -6.479 -1.235 1.00 0.00 C ATOM 714 CG TYR A 60 -3.335 -7.634 -0.366 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.819 -7.752 0.928 1.00 0.00 C ATOM 716 CD2 TYR A 60 -4.239 -8.584 -0.850 1.00 0.00 C ATOM 717 CE1 TYR A 60 -3.205 -8.819 1.741 1.00 0.00 C ATOM 718 CE2 TYR A 60 -4.627 -9.654 -0.038 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.109 -9.772 1.258 1.00 0.00 C ATOM 720 OH TYR A 60 -4.492 -10.822 2.062 1.00 0.00 O ATOM 0 H TYR A 60 -0.441 -6.477 -0.023 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.619 -7.565 -2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.878 -5.560 -0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.638 -6.322 -2.033 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.121 -7.016 1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.637 -8.492 -1.850 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.807 -8.909 2.741 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.326 -10.389 -0.410 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.803 -10.984 2.739 1.00 0.00 H new ATOM 730 N ASP A 61 -1.019 -5.361 -3.742 1.00 0.00 N ATOM 731 CA ASP A 61 -0.460 -4.112 -4.355 1.00 0.00 C ATOM 732 C ASP A 61 -1.515 -3.000 -4.338 1.00 0.00 C ATOM 733 O ASP A 61 -2.616 -3.166 -4.822 1.00 0.00 O ATOM 734 CB ASP A 61 -0.036 -4.383 -5.796 1.00 0.00 C ATOM 735 CG ASP A 61 0.787 -3.201 -6.312 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.726 -2.148 -5.698 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.469 -3.369 -7.309 1.00 0.00 O ATOM 0 H ASP A 61 -1.410 -6.039 -4.397 1.00 0.00 H new ATOM 0 HA ASP A 61 0.407 -3.796 -3.775 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.551 -5.300 -5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.915 -4.531 -6.424 1.00 0.00 H new ATOM 742 N VAL A 62 -1.181 -1.861 -3.781 1.00 0.00 N ATOM 743 CA VAL A 62 -2.150 -0.725 -3.723 1.00 0.00 C ATOM 744 C VAL A 62 -2.465 -0.209 -5.132 1.00 0.00 C ATOM 745 O VAL A 62 -3.533 0.311 -5.388 1.00 0.00 O ATOM 746 CB VAL A 62 -1.542 0.412 -2.902 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.518 1.589 -2.856 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.271 -0.074 -1.478 1.00 0.00 C ATOM 0 H VAL A 62 -0.271 -1.670 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.073 -1.076 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.607 0.730 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.084 2.399 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.714 1.939 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.453 1.269 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.837 0.737 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.206 -0.393 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.576 -0.913 -1.506 1.00 0.00 H new ATOM 758 N MET A 63 -1.533 -0.317 -6.035 1.00 0.00 N ATOM 759 CA MET A 63 -1.759 0.202 -7.416 1.00 0.00 C ATOM 760 C MET A 63 -2.779 -0.665 -8.156 1.00 0.00 C ATOM 761 O MET A 63 -3.175 -0.354 -9.262 1.00 0.00 O ATOM 762 CB MET A 63 -0.434 0.169 -8.175 1.00 0.00 C ATOM 763 CG MET A 63 0.512 1.226 -7.603 1.00 0.00 C ATOM 764 SD MET A 63 -0.037 2.874 -8.118 1.00 0.00 S ATOM 765 CE MET A 63 0.355 2.737 -9.885 1.00 0.00 C ATOM 0 H MET A 63 -0.620 -0.744 -5.878 1.00 0.00 H new ATOM 0 HA MET A 63 -2.142 1.221 -7.356 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.018 -0.820 -8.095 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.606 0.356 -9.235 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.531 1.161 -6.515 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.529 1.045 -7.951 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.570 3.727 -10.288 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.226 2.095 -10.016 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.495 2.307 -10.414 1.00 0.00 H new ATOM 775 N SER A 64 -3.216 -1.741 -7.558 1.00 0.00 N ATOM 776 CA SER A 64 -4.222 -2.623 -8.230 1.00 0.00 C ATOM 777 C SER A 64 -5.605 -2.351 -7.637 1.00 0.00 C ATOM 778 O SER A 64 -6.613 -2.767 -8.171 1.00 0.00 O ATOM 779 CB SER A 64 -3.849 -4.089 -8.000 1.00 0.00 C ATOM 780 OG SER A 64 -2.760 -4.431 -8.848 1.00 0.00 O ATOM 0 H SER A 64 -2.921 -2.050 -6.632 1.00 0.00 H new ATOM 0 HA SER A 64 -4.234 -2.416 -9.300 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.577 -4.249 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.704 -4.732 -8.209 1.00 0.00 H new ATOM 0 HG SER A 64 -2.515 -5.369 -8.704 1.00 0.00 H new ATOM 786 N MET A 65 -5.663 -1.656 -6.534 1.00 0.00 N ATOM 787 CA MET A 65 -6.982 -1.361 -5.905 1.00 0.00 C ATOM 788 C MET A 65 -7.696 -0.236 -6.677 1.00 0.00 C ATOM 789 O MET A 65 -7.064 0.718 -7.084 1.00 0.00 O ATOM 790 CB MET A 65 -6.753 -0.892 -4.469 1.00 0.00 C ATOM 791 CG MET A 65 -6.063 -1.993 -3.666 1.00 0.00 C ATOM 792 SD MET A 65 -6.160 -1.593 -1.903 1.00 0.00 S ATOM 793 CE MET A 65 -4.906 -2.763 -1.330 1.00 0.00 C ATOM 0 H MET A 65 -4.854 -1.279 -6.041 1.00 0.00 H new ATOM 0 HA MET A 65 -7.595 -2.262 -5.923 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.142 0.010 -4.465 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.705 -0.634 -4.005 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.539 -2.954 -3.860 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.021 -2.086 -3.973 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.135 -3.071 -0.310 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.900 -3.638 -1.980 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.926 -2.287 -1.354 1.00 0.00 H new ATOM 803 N PRO A 66 -9.003 -0.311 -6.864 1.00 0.00 N ATOM 804 CA PRO A 66 -9.754 0.764 -7.572 1.00 0.00 C ATOM 805 C PRO A 66 -9.289 2.160 -7.129 1.00 0.00 C ATOM 806 O PRO A 66 -8.671 2.316 -6.093 1.00 0.00 O ATOM 807 CB PRO A 66 -11.209 0.513 -7.164 1.00 0.00 C ATOM 808 CG PRO A 66 -11.292 -0.963 -6.927 1.00 0.00 C ATOM 809 CD PRO A 66 -9.903 -1.406 -6.438 1.00 0.00 C ATOM 0 HA PRO A 66 -9.604 0.740 -8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.470 1.073 -6.266 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.899 0.827 -7.947 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.056 -1.194 -6.185 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.567 -1.488 -7.842 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.885 -1.538 -5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.610 -2.358 -6.881 1.00 0.00 H new ATOM 817 N THR A 67 -9.557 3.170 -7.910 1.00 0.00 N ATOM 818 CA THR A 67 -9.106 4.543 -7.542 1.00 0.00 C ATOM 819 C THR A 67 -9.725 4.980 -6.206 1.00 0.00 C ATOM 820 O THR A 67 -9.083 5.629 -5.404 1.00 0.00 O ATOM 821 CB THR A 67 -9.524 5.527 -8.642 1.00 0.00 C ATOM 822 OG1 THR A 67 -9.064 5.049 -9.899 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.903 6.903 -8.369 1.00 0.00 C ATOM 0 H THR A 67 -10.070 3.104 -8.789 1.00 0.00 H new ATOM 0 HA THR A 67 -8.021 4.537 -7.438 1.00 0.00 H new ATOM 0 HB THR A 67 -10.610 5.615 -8.654 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.331 5.675 -10.604 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.202 7.599 -9.153 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.248 7.273 -7.404 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.817 6.816 -8.357 1.00 0.00 H new ATOM 831 N LYS A 68 -10.972 4.669 -5.971 1.00 0.00 N ATOM 832 CA LYS A 68 -11.620 5.118 -4.700 1.00 0.00 C ATOM 833 C LYS A 68 -10.779 4.683 -3.497 1.00 0.00 C ATOM 834 O LYS A 68 -10.450 5.480 -2.642 1.00 0.00 O ATOM 835 CB LYS A 68 -13.003 4.479 -4.586 1.00 0.00 C ATOM 836 CG LYS A 68 -13.936 5.064 -5.649 1.00 0.00 C ATOM 837 CD LYS A 68 -15.361 4.543 -5.427 1.00 0.00 C ATOM 838 CE LYS A 68 -15.425 3.038 -5.711 1.00 0.00 C ATOM 839 NZ LYS A 68 -16.846 2.635 -5.904 1.00 0.00 N ATOM 0 H LYS A 68 -11.568 4.128 -6.598 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.704 6.205 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.926 3.399 -4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.414 4.655 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.924 6.153 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.588 4.788 -6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.672 4.740 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.055 5.073 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.843 2.799 -6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.986 2.481 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.894 1.614 -6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.388 2.851 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.249 3.159 -6.707 1.00 0.00 H new ATOM 853 N GLU A 69 -10.421 3.435 -3.418 1.00 0.00 N ATOM 854 CA GLU A 69 -9.596 2.987 -2.263 1.00 0.00 C ATOM 855 C GLU A 69 -8.195 3.587 -2.371 1.00 0.00 C ATOM 856 O GLU A 69 -7.527 3.814 -1.380 1.00 0.00 O ATOM 857 CB GLU A 69 -9.493 1.457 -2.247 1.00 0.00 C ATOM 858 CG GLU A 69 -10.821 0.823 -1.802 1.00 0.00 C ATOM 859 CD GLU A 69 -11.152 1.240 -0.365 1.00 0.00 C ATOM 860 OE1 GLU A 69 -10.227 1.428 0.407 1.00 0.00 O ATOM 861 OE2 GLU A 69 -12.328 1.361 -0.061 1.00 0.00 O ATOM 0 H GLU A 69 -10.660 2.711 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.070 3.322 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.228 1.096 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.694 1.149 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.623 1.133 -2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.754 -0.263 -1.867 1.00 0.00 H new ATOM 868 N ARG A 70 -7.733 3.824 -3.566 1.00 0.00 N ATOM 869 CA ARG A 70 -6.362 4.382 -3.741 1.00 0.00 C ATOM 870 C ARG A 70 -6.236 5.737 -3.039 1.00 0.00 C ATOM 871 O ARG A 70 -5.309 5.965 -2.289 1.00 0.00 O ATOM 872 CB ARG A 70 -6.085 4.566 -5.233 1.00 0.00 C ATOM 873 CG ARG A 70 -4.621 4.954 -5.440 1.00 0.00 C ATOM 874 CD ARG A 70 -4.357 5.160 -6.931 1.00 0.00 C ATOM 875 NE ARG A 70 -4.425 3.851 -7.635 1.00 0.00 N ATOM 876 CZ ARG A 70 -4.543 3.819 -8.933 1.00 0.00 C ATOM 877 NH1 ARG A 70 -4.619 4.935 -9.605 1.00 0.00 N ATOM 878 NH2 ARG A 70 -4.583 2.674 -9.558 1.00 0.00 N ATOM 0 H ARG A 70 -8.246 3.655 -4.431 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.643 3.690 -3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.307 3.644 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.737 5.338 -5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.394 5.867 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.968 4.175 -5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.092 5.848 -7.349 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.377 5.613 -7.078 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.379 2.981 -7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.586 5.829 -9.115 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.711 4.914 -10.621 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.522 1.803 -9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.675 2.650 -10.574 1.00 0.00 H new ATOM 892 N GLU A 71 -7.147 6.642 -3.271 1.00 0.00 N ATOM 893 CA GLU A 71 -7.043 7.972 -2.604 1.00 0.00 C ATOM 894 C GLU A 71 -7.189 7.796 -1.087 1.00 0.00 C ATOM 895 O GLU A 71 -6.633 8.544 -0.307 1.00 0.00 O ATOM 896 CB GLU A 71 -8.127 8.920 -3.154 1.00 0.00 C ATOM 897 CG GLU A 71 -9.486 8.654 -2.475 1.00 0.00 C ATOM 898 CD GLU A 71 -9.593 9.465 -1.179 1.00 0.00 C ATOM 899 OE1 GLU A 71 -8.578 9.979 -0.738 1.00 0.00 O ATOM 900 OE2 GLU A 71 -10.688 9.555 -0.649 1.00 0.00 O ATOM 0 H GLU A 71 -7.951 6.521 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.068 8.412 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.829 9.955 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.222 8.785 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.298 8.924 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.591 7.591 -2.258 1.00 0.00 H new ATOM 907 N GLN A 72 -7.953 6.825 -0.665 1.00 0.00 N ATOM 908 CA GLN A 72 -8.158 6.613 0.795 1.00 0.00 C ATOM 909 C GLN A 72 -6.834 6.224 1.456 1.00 0.00 C ATOM 910 O GLN A 72 -6.536 6.640 2.558 1.00 0.00 O ATOM 911 CB GLN A 72 -9.185 5.501 0.999 1.00 0.00 C ATOM 912 CG GLN A 72 -10.562 6.008 0.568 1.00 0.00 C ATOM 913 CD GLN A 72 -11.575 4.870 0.659 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.705 4.242 1.689 1.00 0.00 O ATOM 915 NE2 GLN A 72 -12.298 4.571 -0.384 1.00 0.00 N ATOM 0 H GLN A 72 -8.445 6.168 -1.271 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.521 7.535 1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.909 4.622 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.207 5.196 2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.872 6.837 1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.518 6.389 -0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.188 5.100 -1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.974 3.809 -0.335 1.00 0.00 H new ATOM 924 N VAL A 73 -6.040 5.428 0.797 1.00 0.00 N ATOM 925 CA VAL A 73 -4.741 5.013 1.399 1.00 0.00 C ATOM 926 C VAL A 73 -3.797 6.221 1.451 1.00 0.00 C ATOM 927 O VAL A 73 -3.153 6.474 2.449 1.00 0.00 O ATOM 928 CB VAL A 73 -4.115 3.920 0.531 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.701 3.604 1.028 1.00 0.00 C ATOM 930 CG2 VAL A 73 -4.972 2.656 0.606 1.00 0.00 C ATOM 0 H VAL A 73 -6.232 5.047 -0.130 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.906 4.635 2.408 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.064 4.269 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.262 2.825 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.086 4.503 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.747 3.259 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.526 1.877 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.025 2.313 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.977 2.876 0.245 1.00 0.00 H new ATOM 940 N ILE A 74 -3.714 6.968 0.383 1.00 0.00 N ATOM 941 CA ILE A 74 -2.815 8.159 0.373 1.00 0.00 C ATOM 942 C ILE A 74 -3.277 9.138 1.458 1.00 0.00 C ATOM 943 O ILE A 74 -2.483 9.708 2.179 1.00 0.00 O ATOM 944 CB ILE A 74 -2.894 8.848 -0.997 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.496 7.859 -2.107 1.00 0.00 C ATOM 946 CG2 ILE A 74 -1.955 10.064 -1.033 1.00 0.00 C ATOM 947 CD1 ILE A 74 -1.088 7.286 -1.869 1.00 0.00 C ATOM 0 H ILE A 74 -4.229 6.806 -0.482 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.788 7.848 0.564 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.919 9.182 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.220 7.045 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.527 8.362 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.019 10.545 -2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.248 10.773 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.930 9.738 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.838 6.591 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.362 8.099 -1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.065 6.761 -0.914 1.00 0.00 H new ATOM 959 N ALA A 75 -4.565 9.345 1.565 1.00 0.00 N ATOM 960 CA ALA A 75 -5.096 10.301 2.582 1.00 0.00 C ATOM 961 C ALA A 75 -4.697 9.858 3.991 1.00 0.00 C ATOM 962 O ALA A 75 -4.321 10.665 4.817 1.00 0.00 O ATOM 963 CB ALA A 75 -6.622 10.348 2.488 1.00 0.00 C ATOM 0 H ALA A 75 -5.274 8.891 0.989 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.677 11.288 2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.011 11.045 3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.915 10.678 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.029 9.354 2.676 1.00 0.00 H new ATOM 969 N HIS A 76 -4.768 8.590 4.275 1.00 0.00 N ATOM 970 CA HIS A 76 -4.382 8.114 5.635 1.00 0.00 C ATOM 971 C HIS A 76 -2.921 8.471 5.906 1.00 0.00 C ATOM 972 O HIS A 76 -2.556 8.880 6.991 1.00 0.00 O ATOM 973 CB HIS A 76 -4.549 6.597 5.696 1.00 0.00 C ATOM 974 CG HIS A 76 -4.163 6.095 7.060 1.00 0.00 C ATOM 975 ND1 HIS A 76 -2.937 5.856 7.627 1.00 0.00 N flip ATOM 976 CD2 HIS A 76 -5.099 5.756 8.024 1.00 0.00 C flip ATOM 977 CE1 HIS A 76 -3.105 5.376 8.921 1.00 0.00 C flip ATOM 978 NE2 HIS A 76 -4.425 5.334 9.110 1.00 0.00 N flip ATOM 0 H HIS A 76 -5.075 7.863 3.629 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.016 8.589 6.384 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.582 6.327 5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.929 6.123 4.935 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.172 5.819 7.923 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.333 5.097 9.623 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.870 5.020 9.973 1.00 0.00 H new ATOM 986 N LEU A 77 -2.083 8.311 4.923 1.00 0.00 N ATOM 987 CA LEU A 77 -0.637 8.625 5.098 1.00 0.00 C ATOM 988 C LEU A 77 -0.444 10.138 5.226 1.00 0.00 C ATOM 989 O LEU A 77 0.453 10.604 5.900 1.00 0.00 O ATOM 990 CB LEU A 77 0.124 8.114 3.874 1.00 0.00 C ATOM 991 CG LEU A 77 0.075 6.580 3.838 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.615 6.088 2.492 1.00 0.00 C ATOM 993 CD2 LEU A 77 0.923 5.984 4.980 1.00 0.00 C ATOM 0 H LEU A 77 -2.339 7.973 3.996 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.261 8.145 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.315 8.523 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.159 8.454 3.909 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.958 6.258 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.582 4.999 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.003 6.491 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.645 6.423 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.876 4.896 4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.958 6.307 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.535 6.327 5.939 1.00 0.00 H new