USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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 9 TYR OH : rot -109:sc= 0.00433 USER MOD Set 1.2: A 31 MET CE :methyl -175:sc= -1.43 (180deg=-1.76) USER MOD Set 1.3: A 79 TYR OH : rot -122:sc= 0.759 USER MOD Set 2.1: A 16 TYR OH : rot -170:sc= 2.17 USER MOD Set 2.2: A 34 LYS NZ :NH3+ -114:sc= -1.19 (180deg=-4.98!) USER MOD Set 3.1: A 3 THR OG1 : rot 56:sc= 1.21 USER MOD Set 3.2: A 28 CYS SG : rot -90:sc= 0.735 USER MOD Single : A 1 HIS : no HD1:sc= -0.0538 X(o=-0.054,f=-0.26) USER MOD Single : A 1 HIS N :NH3+ -151:sc= 0.619 (180deg=0.148) USER MOD Single : A 2 MET CE :methyl 162:sc= -0.192 (180deg=-0.849) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -151:sc= -1.73! USER MOD Single : A 11 GLN : amide:sc= 1.15 K(o=1.2,f=-0.56) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.133 F(o=-0.86,f=-0.13) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -3.26! C(o=-3.3!,f=-6.5!) USER MOD Single : A 20 MET CE :methyl -127:sc= -0.428 (180deg=-1.17) USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 1.31 (180deg=1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.45! C(o=-2!,f=-1.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -120:sc= -2.9! (180deg=-4.17!) USER MOD Single : A 68 SER OG : rot 36:sc= 0.654 USER MOD Single : A 69 THR OG1 : rot -160:sc= -1.39! USER MOD Single : A 71 MET CE :methyl -162:sc= -0.429 (180deg=-1.37) USER MOD Single : A 74 TYR OH : rot 180:sc= 0.115 USER MOD Single : A 75 THR OG1 : rot -170:sc= 0.0146 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -88:sc= 1.14 USER MOD Single : A 81 THR OG1 : rot -56:sc= 0.0263 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 3.963 9.001 -11.467 1.00 0.00 N ATOM 2 CA HIS A 1 2.829 8.330 -10.832 1.00 0.00 C ATOM 3 C HIS A 1 2.776 8.826 -9.414 1.00 0.00 C ATOM 4 O HIS A 1 3.773 8.751 -8.721 1.00 0.00 O ATOM 5 CB HIS A 1 3.043 6.794 -10.812 1.00 0.00 C ATOM 6 CG HIS A 1 3.330 6.151 -12.147 1.00 0.00 C ATOM 7 ND1 HIS A 1 2.423 5.397 -12.855 1.00 0.00 N ATOM 8 CD2 HIS A 1 4.475 6.125 -12.874 1.00 0.00 C ATOM 9 CE1 HIS A 1 3.025 4.942 -13.958 1.00 0.00 C ATOM 10 NE2 HIS A 1 4.279 5.359 -14.021 1.00 0.00 N ATOM 0 H1 HIS A 1 3.780 9.103 -12.486 1.00 0.00 H new ATOM 0 H2 HIS A 1 4.092 9.942 -11.042 1.00 0.00 H new ATOM 0 H3 HIS A 1 4.825 8.436 -11.325 1.00 0.00 H new ATOM 0 HA HIS A 1 1.910 8.541 -11.379 1.00 0.00 H new ATOM 0 HB2 HIS A 1 3.870 6.571 -10.138 1.00 0.00 H new ATOM 0 HB3 HIS A 1 2.153 6.328 -10.390 1.00 0.00 H new ATOM 0 HD2 HIS A 1 5.396 6.621 -12.605 1.00 0.00 H new ATOM 0 HE1 HIS A 1 2.551 4.317 -14.700 1.00 0.00 H new ATOM 0 HE2 HIS A 1 4.959 5.161 -14.755 1.00 0.00 H new ATOM 18 N MET A 2 1.663 9.403 -8.997 1.00 0.00 N ATOM 19 CA MET A 2 1.530 9.910 -7.635 1.00 0.00 C ATOM 20 C MET A 2 0.071 9.865 -7.208 1.00 0.00 C ATOM 21 O MET A 2 -0.807 10.277 -7.958 1.00 0.00 O ATOM 22 CB MET A 2 2.002 11.386 -7.471 1.00 0.00 C ATOM 23 CG MET A 2 3.456 11.739 -7.832 1.00 0.00 C ATOM 24 SD MET A 2 3.785 11.842 -9.623 1.00 0.00 S ATOM 25 CE MET A 2 2.662 13.158 -10.111 1.00 0.00 C ATOM 0 H MET A 2 0.836 9.534 -9.579 1.00 0.00 H new ATOM 0 HA MET A 2 2.164 9.270 -7.021 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.349 12.012 -8.079 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.840 11.672 -6.432 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.710 12.695 -7.373 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.118 10.990 -7.396 1.00 0.00 H new ATOM 0 HE1 MET A 2 2.964 13.553 -11.081 1.00 0.00 H new ATOM 0 HE2 MET A 2 1.648 12.764 -10.179 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.693 13.956 -9.369 1.00 0.00 H new ATOM 35 N THR A 3 -0.187 9.355 -6.036 1.00 0.00 N ATOM 36 CA THR A 3 -1.527 9.322 -5.493 1.00 0.00 C ATOM 37 C THR A 3 -1.530 9.933 -4.094 1.00 0.00 C ATOM 38 O THR A 3 -0.851 9.435 -3.187 1.00 0.00 O ATOM 39 CB THR A 3 -2.094 7.883 -5.444 1.00 0.00 C ATOM 40 OG1 THR A 3 -2.130 7.354 -6.770 1.00 0.00 O ATOM 41 CG2 THR A 3 -3.505 7.871 -4.867 1.00 0.00 C ATOM 0 H THR A 3 0.522 8.949 -5.426 1.00 0.00 H new ATOM 0 HA THR A 3 -2.170 9.906 -6.152 1.00 0.00 H new ATOM 0 HB THR A 3 -1.452 7.277 -4.805 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.236 7.406 -7.167 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.880 6.848 -4.844 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.487 8.274 -3.854 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.158 8.483 -5.490 1.00 0.00 H new ATOM 49 N PHE A 4 -2.224 11.044 -3.945 1.00 0.00 N ATOM 50 CA PHE A 4 -2.342 11.702 -2.654 1.00 0.00 C ATOM 51 C PHE A 4 -3.801 11.906 -2.288 1.00 0.00 C ATOM 52 O PHE A 4 -4.113 12.356 -1.197 1.00 0.00 O ATOM 53 CB PHE A 4 -1.618 13.049 -2.655 1.00 0.00 C ATOM 54 CG PHE A 4 -0.169 12.949 -2.986 1.00 0.00 C ATOM 55 CD1 PHE A 4 0.728 12.492 -2.051 1.00 0.00 C ATOM 56 CD2 PHE A 4 0.294 13.293 -4.244 1.00 0.00 C ATOM 57 CE1 PHE A 4 2.059 12.368 -2.358 1.00 0.00 C ATOM 58 CE2 PHE A 4 1.629 13.179 -4.550 1.00 0.00 C ATOM 59 CZ PHE A 4 2.510 12.710 -3.604 1.00 0.00 C ATOM 0 H PHE A 4 -2.718 11.514 -4.704 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.875 11.056 -1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.101 13.711 -3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.727 13.511 -1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.381 12.227 -1.063 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.398 13.653 -4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.752 12.000 -1.616 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.985 13.457 -5.531 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.558 12.612 -3.844 1.00 0.00 H new ATOM 69 N CYS A 5 -4.684 11.569 -3.198 1.00 0.00 N ATOM 70 CA CYS A 5 -6.104 11.731 -2.976 1.00 0.00 C ATOM 71 C CYS A 5 -6.628 10.614 -2.079 1.00 0.00 C ATOM 72 O CYS A 5 -6.995 9.562 -2.567 1.00 0.00 O ATOM 73 CB CYS A 5 -6.830 11.708 -4.315 1.00 0.00 C ATOM 74 SG CYS A 5 -6.185 12.876 -5.524 1.00 0.00 S ATOM 0 H CYS A 5 -4.442 11.177 -4.108 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.284 12.686 -2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -6.771 10.702 -4.731 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -7.886 11.922 -4.147 1.00 0.00 H new ATOM 0 HG CYS A 5 -6.865 12.779 -6.627 1.00 0.00 H new ATOM 80 N LEU A 6 -6.613 10.831 -0.772 1.00 0.00 N ATOM 81 CA LEU A 6 -7.038 9.826 0.159 1.00 0.00 C ATOM 82 C LEU A 6 -8.544 9.708 0.299 1.00 0.00 C ATOM 83 O LEU A 6 -9.108 8.642 0.113 1.00 0.00 O ATOM 84 CB LEU A 6 -6.285 9.892 1.546 1.00 0.00 C ATOM 85 CG LEU A 6 -6.212 11.191 2.416 1.00 0.00 C ATOM 86 CD1 LEU A 6 -5.577 12.385 1.730 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.526 11.551 3.095 1.00 0.00 C ATOM 0 H LEU A 6 -6.307 11.704 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.727 8.885 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.730 9.122 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.255 9.590 1.354 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.518 10.917 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.572 13.236 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.553 12.140 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.149 12.638 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.396 12.462 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.294 11.712 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.830 10.738 3.754 1.00 0.00 H new ATOM 99 N GLU A 7 -9.219 10.806 0.517 1.00 0.00 N ATOM 100 CA GLU A 7 -10.642 10.727 0.728 1.00 0.00 C ATOM 101 C GLU A 7 -11.405 10.512 -0.595 1.00 0.00 C ATOM 102 O GLU A 7 -12.598 10.189 -0.613 1.00 0.00 O ATOM 103 CB GLU A 7 -11.150 11.916 1.556 1.00 0.00 C ATOM 104 CG GLU A 7 -12.623 11.854 1.952 1.00 0.00 C ATOM 105 CD GLU A 7 -13.414 13.037 1.466 1.00 0.00 C ATOM 106 OE1 GLU A 7 -13.273 14.136 2.037 1.00 0.00 O ATOM 107 OE2 GLU A 7 -14.227 12.893 0.519 1.00 0.00 O ATOM 0 H GLU A 7 -8.820 11.744 0.553 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.850 9.840 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.550 11.989 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.982 12.831 0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.063 10.941 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.699 11.795 3.038 1.00 0.00 H new ATOM 114 N THR A 8 -10.689 10.609 -1.695 1.00 0.00 N ATOM 115 CA THR A 8 -11.261 10.387 -2.991 1.00 0.00 C ATOM 116 C THR A 8 -11.596 8.899 -3.144 1.00 0.00 C ATOM 117 O THR A 8 -12.538 8.531 -3.839 1.00 0.00 O ATOM 118 CB THR A 8 -10.289 10.836 -4.104 1.00 0.00 C ATOM 119 OG1 THR A 8 -9.945 12.221 -3.905 1.00 0.00 O ATOM 120 CG2 THR A 8 -10.908 10.666 -5.488 1.00 0.00 C ATOM 0 H THR A 8 -9.697 10.844 -1.708 1.00 0.00 H new ATOM 0 HA THR A 8 -12.172 10.978 -3.085 1.00 0.00 H new ATOM 0 HB THR A 8 -9.398 10.211 -4.050 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.742 12.635 -4.770 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.197 10.992 -6.247 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.156 9.617 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.814 11.268 -5.558 1.00 0.00 H new ATOM 128 N TYR A 9 -10.879 8.051 -2.422 1.00 0.00 N ATOM 129 CA TYR A 9 -11.111 6.643 -2.501 1.00 0.00 C ATOM 130 C TYR A 9 -12.359 6.230 -1.766 1.00 0.00 C ATOM 131 O TYR A 9 -12.982 5.223 -2.112 1.00 0.00 O ATOM 132 CB TYR A 9 -9.881 5.833 -2.148 1.00 0.00 C ATOM 133 CG TYR A 9 -8.886 5.838 -3.282 1.00 0.00 C ATOM 134 CD1 TYR A 9 -9.077 5.013 -4.385 1.00 0.00 C ATOM 135 CD2 TYR A 9 -7.788 6.674 -3.277 1.00 0.00 C ATOM 136 CE1 TYR A 9 -8.200 5.024 -5.446 1.00 0.00 C ATOM 137 CE2 TYR A 9 -6.900 6.691 -4.336 1.00 0.00 C ATOM 138 CZ TYR A 9 -7.114 5.864 -5.420 1.00 0.00 C ATOM 139 OH TYR A 9 -6.229 5.874 -6.483 1.00 0.00 O ATOM 0 H TYR A 9 -10.136 8.327 -1.780 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.307 6.406 -3.547 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.417 6.242 -1.251 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.170 4.808 -1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.930 4.351 -4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.620 7.325 -2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.365 4.376 -6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.043 7.348 -4.315 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.383 5.464 -6.208 1.00 0.00 H new ATOM 149 N LEU A 10 -12.775 7.046 -0.804 1.00 0.00 N ATOM 150 CA LEU A 10 -14.011 6.792 -0.084 1.00 0.00 C ATOM 151 C LEU A 10 -15.134 7.052 -1.084 1.00 0.00 C ATOM 152 O LEU A 10 -16.081 6.281 -1.209 1.00 0.00 O ATOM 153 CB LEU A 10 -14.143 7.749 1.139 1.00 0.00 C ATOM 154 CG LEU A 10 -15.231 7.441 2.226 1.00 0.00 C ATOM 155 CD1 LEU A 10 -15.127 8.435 3.362 1.00 0.00 C ATOM 156 CD2 LEU A 10 -16.653 7.474 1.681 1.00 0.00 C ATOM 0 H LEU A 10 -12.275 7.884 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.043 5.774 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.175 7.780 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.335 8.751 0.755 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.033 6.427 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.887 8.212 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.139 8.366 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.281 9.444 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -17.356 7.253 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.865 8.464 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.758 6.729 0.892 1.00 0.00 H new ATOM 168 N GLN A 11 -14.941 8.102 -1.872 1.00 0.00 N ATOM 169 CA GLN A 11 -15.904 8.531 -2.862 1.00 0.00 C ATOM 170 C GLN A 11 -15.991 7.506 -3.979 1.00 0.00 C ATOM 171 O GLN A 11 -17.007 7.395 -4.660 1.00 0.00 O ATOM 172 CB GLN A 11 -15.507 9.897 -3.444 1.00 0.00 C ATOM 173 CG GLN A 11 -15.391 11.020 -2.414 1.00 0.00 C ATOM 174 CD GLN A 11 -16.671 11.251 -1.632 1.00 0.00 C ATOM 175 OE1 GLN A 11 -17.781 11.020 -2.131 1.00 0.00 O ATOM 176 NE2 GLN A 11 -16.537 11.717 -0.418 1.00 0.00 N ATOM 0 H GLN A 11 -14.102 8.681 -1.837 1.00 0.00 H new ATOM 0 HA GLN A 11 -16.877 8.624 -2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.551 9.794 -3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -16.243 10.185 -4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.586 10.784 -1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.112 11.943 -2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.607 11.895 -0.040 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.363 11.902 0.151 1.00 0.00 H new ATOM 185 N GLN A 12 -14.931 6.737 -4.138 1.00 0.00 N ATOM 186 CA GLN A 12 -14.872 5.737 -5.171 1.00 0.00 C ATOM 187 C GLN A 12 -15.179 4.350 -4.638 1.00 0.00 C ATOM 188 O GLN A 12 -15.038 3.363 -5.362 1.00 0.00 O ATOM 189 CB GLN A 12 -13.524 5.756 -5.894 1.00 0.00 C ATOM 190 CG GLN A 12 -13.220 7.086 -6.570 1.00 0.00 C ATOM 191 CD GLN A 12 -14.268 7.504 -7.595 1.00 0.00 C ATOM 192 OE1 GLN A 12 -14.871 6.554 -8.265 1.00 0.00 O flip ATOM 193 NE2 GLN A 12 -14.510 8.693 -7.792 1.00 0.00 N flip ATOM 0 H GLN A 12 -14.095 6.792 -3.556 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.647 5.988 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.733 5.531 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.511 4.964 -6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.140 7.861 -5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.249 7.021 -7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.023 9.409 -7.253 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -15.198 8.964 -8.495 1.00 0.00 H new ATOM 202 N SER A 13 -15.563 4.283 -3.358 1.00 0.00 N ATOM 203 CA SER A 13 -15.950 3.040 -2.696 1.00 0.00 C ATOM 204 C SER A 13 -14.804 2.019 -2.678 1.00 0.00 C ATOM 205 O SER A 13 -15.033 0.797 -2.678 1.00 0.00 O ATOM 206 CB SER A 13 -17.190 2.460 -3.385 1.00 0.00 C ATOM 207 OG SER A 13 -18.246 3.418 -3.409 1.00 0.00 O ATOM 0 H SER A 13 -15.613 5.100 -2.750 1.00 0.00 H new ATOM 0 HA SER A 13 -16.186 3.265 -1.656 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.940 2.161 -4.403 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.518 1.563 -2.860 1.00 0.00 H new ATOM 0 HG SER A 13 -19.029 3.031 -3.854 1.00 0.00 H new ATOM 213 N GLY A 14 -13.595 2.512 -2.621 1.00 0.00 N ATOM 214 CA GLY A 14 -12.443 1.666 -2.627 1.00 0.00 C ATOM 215 C GLY A 14 -11.367 2.254 -1.781 1.00 0.00 C ATOM 216 O GLY A 14 -10.348 2.695 -2.288 1.00 0.00 O ATOM 0 H GLY A 14 -13.387 3.509 -2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.708 0.676 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.083 1.537 -3.648 1.00 0.00 H new ATOM 220 N GLU A 15 -11.620 2.287 -0.502 1.00 0.00 N ATOM 221 CA GLU A 15 -10.708 2.865 0.467 1.00 0.00 C ATOM 222 C GLU A 15 -9.433 2.023 0.605 1.00 0.00 C ATOM 223 O GLU A 15 -9.459 0.785 0.474 1.00 0.00 O ATOM 224 CB GLU A 15 -11.421 2.982 1.798 1.00 0.00 C ATOM 225 CG GLU A 15 -12.647 3.868 1.734 1.00 0.00 C ATOM 226 CD GLU A 15 -13.551 3.669 2.903 1.00 0.00 C ATOM 227 OE1 GLU A 15 -13.290 4.204 3.978 1.00 0.00 O ATOM 228 OE2 GLU A 15 -14.554 2.932 2.768 1.00 0.00 O ATOM 0 H GLU A 15 -12.474 1.911 -0.090 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.403 3.854 0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.715 1.988 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.730 3.380 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.336 4.912 1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.195 3.661 0.815 1.00 0.00 H new ATOM 235 N TYR A 16 -8.344 2.688 0.831 1.00 0.00 N ATOM 236 CA TYR A 16 -7.048 2.064 0.983 1.00 0.00 C ATOM 237 C TYR A 16 -6.272 2.889 2.011 1.00 0.00 C ATOM 238 O TYR A 16 -5.043 2.917 2.034 1.00 0.00 O ATOM 239 CB TYR A 16 -6.365 2.068 -0.409 1.00 0.00 C ATOM 240 CG TYR A 16 -5.060 1.291 -0.559 1.00 0.00 C ATOM 241 CD1 TYR A 16 -5.015 -0.086 -0.382 1.00 0.00 C ATOM 242 CD2 TYR A 16 -3.889 1.937 -0.947 1.00 0.00 C ATOM 243 CE1 TYR A 16 -3.841 -0.794 -0.585 1.00 0.00 C ATOM 244 CE2 TYR A 16 -2.709 1.239 -1.141 1.00 0.00 C ATOM 245 CZ TYR A 16 -2.690 -0.126 -0.960 1.00 0.00 C ATOM 246 OH TYR A 16 -1.520 -0.839 -1.199 1.00 0.00 O ATOM 0 H TYR A 16 -8.321 3.704 0.919 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.103 1.033 1.333 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.077 1.672 -1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.172 3.105 -0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.909 -0.613 -0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.901 3.006 -1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.825 -1.865 -0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.810 1.761 -1.432 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.771 -0.215 -1.297 1.00 0.00 H new ATOM 256 N GLU A 17 -7.022 3.518 2.892 1.00 0.00 N ATOM 257 CA GLU A 17 -6.473 4.380 3.904 1.00 0.00 C ATOM 258 C GLU A 17 -7.364 4.513 5.074 1.00 0.00 C ATOM 259 O GLU A 17 -8.527 4.129 5.043 1.00 0.00 O ATOM 260 CB GLU A 17 -6.227 5.787 3.424 1.00 0.00 C ATOM 261 CG GLU A 17 -7.389 6.476 2.716 1.00 0.00 C ATOM 262 CD GLU A 17 -7.470 6.152 1.247 1.00 0.00 C ATOM 263 OE1 GLU A 17 -6.669 6.728 0.474 1.00 0.00 O ATOM 264 OE2 GLU A 17 -8.314 5.335 0.856 1.00 0.00 O ATOM 0 H GLU A 17 -8.039 3.441 2.921 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.533 3.895 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.941 6.395 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.374 5.772 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.323 6.184 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.291 7.555 2.838 1.00 0.00 H new ATOM 271 N ILE A 18 -6.835 5.156 6.107 1.00 0.00 N ATOM 272 CA ILE A 18 -7.610 5.388 7.255 1.00 0.00 C ATOM 273 C ILE A 18 -8.031 6.881 7.311 1.00 0.00 C ATOM 274 O ILE A 18 -8.453 7.394 8.345 1.00 0.00 O ATOM 275 CB ILE A 18 -6.932 4.903 8.580 1.00 0.00 C ATOM 276 CG1 ILE A 18 -7.953 4.813 9.742 1.00 0.00 C ATOM 277 CG2 ILE A 18 -5.727 5.762 8.960 1.00 0.00 C ATOM 278 CD1 ILE A 18 -7.370 4.387 11.080 1.00 0.00 C ATOM 0 H ILE A 18 -5.880 5.512 6.146 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.508 4.776 7.173 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.557 3.897 8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.429 5.786 9.864 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.736 4.108 9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.290 5.387 9.886 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.984 5.718 8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.046 6.794 9.102 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.162 4.354 11.828 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.921 3.399 10.983 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.608 5.103 11.390 1.00 0.00 H new ATOM 290 N HIS A 19 -7.905 7.548 6.165 1.00 0.00 N ATOM 291 CA HIS A 19 -8.246 8.966 6.006 1.00 0.00 C ATOM 292 C HIS A 19 -7.339 9.815 6.827 1.00 0.00 C ATOM 293 O HIS A 19 -7.697 10.339 7.877 1.00 0.00 O ATOM 294 CB HIS A 19 -9.727 9.267 6.272 1.00 0.00 C ATOM 295 CG HIS A 19 -10.605 8.684 5.231 1.00 0.00 C ATOM 296 ND1 HIS A 19 -11.247 7.479 5.348 1.00 0.00 N ATOM 297 CD2 HIS A 19 -10.917 9.159 4.011 1.00 0.00 C ATOM 298 CE1 HIS A 19 -11.910 7.259 4.213 1.00 0.00 C ATOM 299 NE2 HIS A 19 -11.740 8.258 3.367 1.00 0.00 N ATOM 0 H HIS A 19 -7.559 7.116 5.308 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.090 9.218 4.957 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.008 8.871 7.248 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -9.877 10.346 6.311 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -11.222 6.861 6.159 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -10.577 10.098 3.600 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.506 6.381 4.012 1.00 0.00 H new ATOM 307 N MET A 20 -6.129 9.831 6.391 1.00 0.00 N ATOM 308 CA MET A 20 -5.068 10.556 7.009 1.00 0.00 C ATOM 309 C MET A 20 -4.128 10.954 5.869 1.00 0.00 C ATOM 310 O MET A 20 -4.485 10.748 4.721 1.00 0.00 O ATOM 311 CB MET A 20 -4.401 9.606 7.998 1.00 0.00 C ATOM 312 CG MET A 20 -4.207 10.160 9.381 1.00 0.00 C ATOM 313 SD MET A 20 -2.957 11.459 9.473 1.00 0.00 S ATOM 314 CE MET A 20 -1.464 10.529 9.107 1.00 0.00 C ATOM 0 H MET A 20 -5.836 9.319 5.559 1.00 0.00 H new ATOM 0 HA MET A 20 -5.383 11.448 7.551 1.00 0.00 H new ATOM 0 HB2 MET A 20 -5.001 8.699 8.068 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.429 9.316 7.600 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.157 10.556 9.741 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.925 9.348 10.052 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.726 10.703 9.890 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.700 9.466 9.061 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.060 10.853 8.148 1.00 0.00 H new ATOM 324 N LYS A 21 -2.954 11.437 6.143 1.00 0.00 N ATOM 325 CA LYS A 21 -2.053 11.878 5.076 1.00 0.00 C ATOM 326 C LYS A 21 -1.416 10.680 4.366 1.00 0.00 C ATOM 327 O LYS A 21 -0.634 9.947 4.955 1.00 0.00 O ATOM 328 CB LYS A 21 -0.987 12.808 5.655 1.00 0.00 C ATOM 329 CG LYS A 21 0.018 13.352 4.656 1.00 0.00 C ATOM 330 CD LYS A 21 0.982 14.282 5.359 1.00 0.00 C ATOM 331 CE LYS A 21 2.120 14.723 4.468 1.00 0.00 C ATOM 332 NZ LYS A 21 1.694 15.594 3.361 1.00 0.00 N ATOM 0 H LYS A 21 -2.582 11.543 7.087 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.629 12.427 4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.486 13.649 6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.445 12.271 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.563 12.531 4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.499 13.884 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.441 15.160 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.387 13.782 6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.860 15.250 5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.613 13.841 4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.498 15.763 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.924 15.134 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.358 16.501 3.743 1.00 0.00 H new ATOM 346 N ARG A 22 -1.774 10.476 3.115 1.00 0.00 N ATOM 347 CA ARG A 22 -1.254 9.362 2.342 1.00 0.00 C ATOM 348 C ARG A 22 -0.255 9.904 1.326 1.00 0.00 C ATOM 349 O ARG A 22 -0.278 11.109 1.033 1.00 0.00 O ATOM 350 CB ARG A 22 -2.397 8.627 1.608 1.00 0.00 C ATOM 351 CG ARG A 22 -2.927 9.317 0.368 1.00 0.00 C ATOM 352 CD ARG A 22 -3.804 8.367 -0.429 1.00 0.00 C ATOM 353 NE ARG A 22 -3.053 7.184 -0.875 1.00 0.00 N ATOM 354 CZ ARG A 22 -3.584 6.030 -1.286 1.00 0.00 C ATOM 355 NH1 ARG A 22 -4.870 5.750 -1.090 1.00 0.00 N ATOM 356 NH2 ARG A 22 -2.785 5.116 -1.784 1.00 0.00 N ATOM 0 H ARG A 22 -2.428 11.071 2.607 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.768 8.652 3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.046 7.634 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.223 8.488 2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.500 10.200 0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.096 9.660 -0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.650 8.053 0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.212 8.888 -1.295 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.035 7.251 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.472 6.424 -0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.253 4.862 -1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.783 5.296 -1.850 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.166 4.226 -2.105 1.00 0.00 H new ATOM 370 N ALA A 23 0.609 9.052 0.789 1.00 0.00 N ATOM 371 CA ALA A 23 1.582 9.521 -0.227 1.00 0.00 C ATOM 372 C ALA A 23 2.143 8.372 -1.064 1.00 0.00 C ATOM 373 O ALA A 23 3.176 7.765 -0.704 1.00 0.00 O ATOM 374 CB ALA A 23 2.708 10.295 0.426 1.00 0.00 C ATOM 0 H ALA A 23 0.668 8.060 1.021 1.00 0.00 H new ATOM 0 HA ALA A 23 1.042 10.183 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.410 10.630 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.300 11.161 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.226 9.653 1.138 1.00 0.00 H new ATOM 380 N GLY A 24 1.494 8.084 -2.172 1.00 0.00 N ATOM 381 CA GLY A 24 1.880 6.963 -2.997 1.00 0.00 C ATOM 382 C GLY A 24 2.538 7.319 -4.264 1.00 0.00 C ATOM 383 O GLY A 24 1.891 7.432 -5.298 1.00 0.00 O ATOM 0 H GLY A 24 0.695 8.613 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.551 6.324 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.991 6.373 -3.220 1.00 0.00 H new ATOM 387 N PHE A 25 3.825 7.428 -4.206 1.00 0.00 N ATOM 388 CA PHE A 25 4.612 7.781 -5.355 1.00 0.00 C ATOM 389 C PHE A 25 4.747 6.566 -6.265 1.00 0.00 C ATOM 390 O PHE A 25 4.144 6.475 -7.316 1.00 0.00 O ATOM 391 CB PHE A 25 6.004 8.248 -4.911 1.00 0.00 C ATOM 392 CG PHE A 25 6.005 9.413 -3.958 1.00 0.00 C ATOM 393 CD1 PHE A 25 6.027 10.715 -4.427 1.00 0.00 C ATOM 394 CD2 PHE A 25 5.993 9.201 -2.587 1.00 0.00 C ATOM 395 CE1 PHE A 25 6.039 11.780 -3.547 1.00 0.00 C ATOM 396 CE2 PHE A 25 6.004 10.259 -1.707 1.00 0.00 C ATOM 397 CZ PHE A 25 6.027 11.552 -2.186 1.00 0.00 C ATOM 0 H PHE A 25 4.369 7.275 -3.357 1.00 0.00 H new ATOM 0 HA PHE A 25 4.121 8.591 -5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.519 7.411 -4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.580 8.520 -5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.035 10.900 -5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.975 8.191 -2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.058 12.792 -3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.995 10.077 -0.643 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.036 12.384 -1.498 1.00 0.00 H new ATOM 407 N ARG A 26 5.444 5.584 -5.792 1.00 0.00 N ATOM 408 CA ARG A 26 5.702 4.407 -6.587 1.00 0.00 C ATOM 409 C ARG A 26 4.550 3.453 -6.567 1.00 0.00 C ATOM 410 O ARG A 26 4.215 2.840 -7.577 1.00 0.00 O ATOM 411 CB ARG A 26 6.938 3.719 -6.084 1.00 0.00 C ATOM 412 CG ARG A 26 8.213 4.424 -6.407 1.00 0.00 C ATOM 413 CD ARG A 26 8.522 4.247 -7.858 1.00 0.00 C ATOM 414 NE ARG A 26 9.684 4.983 -8.270 1.00 0.00 N ATOM 415 CZ ARG A 26 10.373 4.735 -9.366 1.00 0.00 C ATOM 416 NH1 ARG A 26 10.052 3.692 -10.142 1.00 0.00 N ATOM 417 NH2 ARG A 26 11.380 5.514 -9.687 1.00 0.00 N ATOM 0 H ARG A 26 5.850 5.565 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 26 5.846 4.729 -7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.862 3.609 -5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.976 2.714 -6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.126 5.484 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.026 4.026 -5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.675 3.188 -8.066 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.665 4.568 -8.450 1.00 0.00 H new ATOM 0 HE ARG A 26 9.997 5.749 -7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.272 3.087 -9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.587 3.503 -10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.624 6.304 -9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.918 5.329 -10.533 1.00 0.00 H new ATOM 431 N GLU A 27 3.890 3.385 -5.452 1.00 0.00 N ATOM 432 CA GLU A 27 2.826 2.446 -5.307 1.00 0.00 C ATOM 433 C GLU A 27 1.527 2.943 -5.950 1.00 0.00 C ATOM 434 O GLU A 27 0.529 2.217 -5.974 1.00 0.00 O ATOM 435 CB GLU A 27 2.659 2.077 -3.873 1.00 0.00 C ATOM 436 CG GLU A 27 1.985 0.761 -3.657 1.00 0.00 C ATOM 437 CD GLU A 27 1.973 0.369 -2.230 1.00 0.00 C ATOM 438 OE1 GLU A 27 3.048 0.228 -1.664 1.00 0.00 O ATOM 439 OE2 GLU A 27 0.879 0.101 -1.708 1.00 0.00 O ATOM 0 H GLU A 27 4.070 3.967 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 27 3.090 1.539 -5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.640 2.053 -3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.082 2.855 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.961 0.814 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.495 -0.007 -4.239 1.00 0.00 H new ATOM 446 N CYS A 28 1.542 4.197 -6.449 1.00 0.00 N ATOM 447 CA CYS A 28 0.407 4.762 -7.186 1.00 0.00 C ATOM 448 C CYS A 28 -0.042 3.776 -8.272 1.00 0.00 C ATOM 449 O CYS A 28 -1.220 3.456 -8.394 1.00 0.00 O ATOM 450 CB CYS A 28 0.844 6.073 -7.858 1.00 0.00 C ATOM 451 SG CYS A 28 -0.319 6.760 -9.066 1.00 0.00 S ATOM 0 H CYS A 28 2.333 4.834 -6.351 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.415 4.950 -6.496 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.016 6.818 -7.082 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.799 5.905 -8.355 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.049 6.287 -10.246 1.00 0.00 H new ATOM 457 N ALA A 29 0.930 3.249 -9.004 1.00 0.00 N ATOM 458 CA ALA A 29 0.654 2.322 -10.087 1.00 0.00 C ATOM 459 C ALA A 29 0.159 0.981 -9.563 1.00 0.00 C ATOM 460 O ALA A 29 -0.778 0.386 -10.113 1.00 0.00 O ATOM 461 CB ALA A 29 1.877 2.162 -10.970 1.00 0.00 C ATOM 0 H ALA A 29 1.920 3.450 -8.865 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.149 2.738 -10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.654 1.464 -11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.150 3.129 -11.392 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.706 1.778 -10.377 1.00 0.00 H new ATOM 467 N ALA A 30 0.766 0.540 -8.487 1.00 0.00 N ATOM 468 CA ALA A 30 0.446 -0.712 -7.846 1.00 0.00 C ATOM 469 C ALA A 30 -0.975 -0.778 -7.362 1.00 0.00 C ATOM 470 O ALA A 30 -1.667 -1.762 -7.599 1.00 0.00 O ATOM 471 CB ALA A 30 1.341 -0.909 -6.664 1.00 0.00 C ATOM 0 H ALA A 30 1.514 1.055 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 30 0.587 -1.490 -8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.100 -1.855 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.380 -0.924 -6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.196 -0.092 -5.958 1.00 0.00 H new ATOM 477 N MET A 31 -1.411 0.269 -6.684 1.00 0.00 N ATOM 478 CA MET A 31 -2.748 0.286 -6.103 1.00 0.00 C ATOM 479 C MET A 31 -3.828 0.155 -7.149 1.00 0.00 C ATOM 480 O MET A 31 -4.834 -0.512 -6.918 1.00 0.00 O ATOM 481 CB MET A 31 -2.992 1.493 -5.193 1.00 0.00 C ATOM 482 CG MET A 31 -3.050 2.843 -5.887 1.00 0.00 C ATOM 483 SD MET A 31 -3.435 4.172 -4.736 1.00 0.00 S ATOM 484 CE MET A 31 -4.985 3.586 -4.039 1.00 0.00 C ATOM 0 H MET A 31 -0.865 1.115 -6.521 1.00 0.00 H new ATOM 0 HA MET A 31 -2.802 -0.597 -5.466 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.930 1.339 -4.660 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.201 1.525 -4.443 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.093 3.045 -6.368 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.803 2.815 -6.674 1.00 0.00 H new ATOM 0 HE1 MET A 31 -5.395 4.345 -3.373 1.00 0.00 H new ATOM 0 HE2 MET A 31 -5.694 3.388 -4.843 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.808 2.669 -3.478 1.00 0.00 H new ATOM 494 N ILE A 32 -3.593 0.734 -8.303 1.00 0.00 N ATOM 495 CA ILE A 32 -4.536 0.678 -9.402 1.00 0.00 C ATOM 496 C ILE A 32 -4.775 -0.774 -9.809 1.00 0.00 C ATOM 497 O ILE A 32 -5.918 -1.212 -9.989 1.00 0.00 O ATOM 498 CB ILE A 32 -3.991 1.468 -10.614 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.790 2.942 -10.230 1.00 0.00 C ATOM 500 CG2 ILE A 32 -4.930 1.340 -11.817 1.00 0.00 C ATOM 501 CD1 ILE A 32 -3.153 3.786 -11.311 1.00 0.00 C ATOM 0 H ILE A 32 -2.743 1.258 -8.509 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.476 1.124 -9.078 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.027 1.047 -10.901 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.757 3.373 -9.972 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.170 2.991 -9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.525 1.905 -12.657 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.023 0.290 -12.096 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.912 1.734 -11.555 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.048 4.812 -10.957 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.170 3.384 -11.555 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.782 3.772 -12.201 1.00 0.00 H new ATOM 513 N GLU A 33 -3.707 -1.524 -9.868 1.00 0.00 N ATOM 514 CA GLU A 33 -3.767 -2.892 -10.285 1.00 0.00 C ATOM 515 C GLU A 33 -4.294 -3.783 -9.159 1.00 0.00 C ATOM 516 O GLU A 33 -5.046 -4.720 -9.408 1.00 0.00 O ATOM 517 CB GLU A 33 -2.397 -3.341 -10.762 1.00 0.00 C ATOM 518 CG GLU A 33 -1.846 -2.484 -11.883 1.00 0.00 C ATOM 519 CD GLU A 33 -0.499 -2.942 -12.370 1.00 0.00 C ATOM 520 OE1 GLU A 33 0.535 -2.504 -11.823 1.00 0.00 O ATOM 521 OE2 GLU A 33 -0.443 -3.719 -13.343 1.00 0.00 O ATOM 0 H GLU A 33 -2.771 -1.199 -9.627 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.466 -2.982 -11.117 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.702 -3.321 -9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.458 -4.375 -11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.548 -2.491 -12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.770 -1.452 -11.539 1.00 0.00 H new ATOM 528 N LYS A 34 -3.940 -3.443 -7.912 1.00 0.00 N ATOM 529 CA LYS A 34 -4.363 -4.196 -6.710 1.00 0.00 C ATOM 530 C LYS A 34 -5.873 -4.283 -6.584 1.00 0.00 C ATOM 531 O LYS A 34 -6.401 -5.220 -5.985 1.00 0.00 O ATOM 532 CB LYS A 34 -3.780 -3.567 -5.448 1.00 0.00 C ATOM 533 CG LYS A 34 -2.313 -3.867 -5.210 1.00 0.00 C ATOM 534 CD LYS A 34 -1.726 -2.889 -4.224 1.00 0.00 C ATOM 535 CE LYS A 34 -0.264 -3.125 -3.940 1.00 0.00 C ATOM 536 NZ LYS A 34 0.225 -2.161 -2.928 1.00 0.00 N ATOM 0 H LYS A 34 -3.351 -2.637 -7.702 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.979 -5.210 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.912 -2.486 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.352 -3.914 -4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.200 -4.884 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.768 -3.814 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.855 -1.877 -4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.284 -2.949 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.116 -4.144 -3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.313 -3.022 -4.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.922 -1.524 -3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.574 -1.603 -2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.671 -2.678 -2.143 1.00 0.00 H new ATOM 550 N LYS A 35 -6.554 -3.322 -7.185 1.00 0.00 N ATOM 551 CA LYS A 35 -8.003 -3.259 -7.171 1.00 0.00 C ATOM 552 C LYS A 35 -8.627 -4.468 -7.913 1.00 0.00 C ATOM 553 O LYS A 35 -9.779 -4.836 -7.668 1.00 0.00 O ATOM 554 CB LYS A 35 -8.460 -1.946 -7.818 1.00 0.00 C ATOM 555 CG LYS A 35 -9.961 -1.775 -7.875 1.00 0.00 C ATOM 556 CD LYS A 35 -10.352 -0.523 -8.615 1.00 0.00 C ATOM 557 CE LYS A 35 -11.851 -0.446 -8.754 1.00 0.00 C ATOM 558 NZ LYS A 35 -12.279 0.750 -9.495 1.00 0.00 N ATOM 0 H LYS A 35 -6.113 -2.559 -7.699 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.342 -3.296 -6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.031 -1.112 -7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.061 -1.894 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.407 -2.641 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.362 -1.739 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.984 0.353 -8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.887 -0.515 -9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.213 -1.338 -9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.306 -0.440 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.316 0.761 -9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.957 1.603 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.867 0.733 -10.450 1.00 0.00 H new ATOM 572 N ALA A 36 -7.851 -5.092 -8.793 1.00 0.00 N ATOM 573 CA ALA A 36 -8.336 -6.215 -9.573 1.00 0.00 C ATOM 574 C ALA A 36 -8.638 -7.410 -8.666 1.00 0.00 C ATOM 575 O ALA A 36 -9.710 -8.024 -8.766 1.00 0.00 O ATOM 576 CB ALA A 36 -7.336 -6.583 -10.650 1.00 0.00 C ATOM 0 H ALA A 36 -6.882 -4.835 -8.981 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.266 -5.924 -10.062 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.715 -7.427 -11.226 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.185 -5.731 -11.312 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.387 -6.856 -10.188 1.00 0.00 H new ATOM 582 N ARG A 37 -7.707 -7.706 -7.770 1.00 0.00 N ATOM 583 CA ARG A 37 -7.847 -8.780 -6.789 1.00 0.00 C ATOM 584 C ARG A 37 -6.636 -8.722 -5.884 1.00 0.00 C ATOM 585 O ARG A 37 -6.747 -8.388 -4.733 1.00 0.00 O ATOM 586 CB ARG A 37 -7.949 -10.187 -7.445 1.00 0.00 C ATOM 587 CG ARG A 37 -8.629 -11.277 -6.571 1.00 0.00 C ATOM 588 CD ARG A 37 -7.948 -11.493 -5.216 1.00 0.00 C ATOM 589 NE ARG A 37 -8.612 -12.519 -4.418 1.00 0.00 N ATOM 590 CZ ARG A 37 -8.464 -12.710 -3.098 1.00 0.00 C ATOM 591 NH1 ARG A 37 -7.819 -11.802 -2.336 1.00 0.00 N ATOM 592 NH2 ARG A 37 -9.023 -13.782 -2.537 1.00 0.00 N ATOM 0 H ARG A 37 -6.822 -7.203 -7.701 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.775 -8.634 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.503 -10.095 -8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.945 -10.524 -7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.670 -10.999 -6.404 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.634 -12.219 -7.119 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.908 -11.777 -5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.940 -10.554 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.247 -13.149 -4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.437 -10.958 -2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.714 -11.960 -1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.552 -14.440 -3.110 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.922 -13.945 -1.535 1.00 0.00 H new ATOM 606 N ARG A 38 -5.490 -9.062 -6.422 1.00 0.00 N ATOM 607 CA ARG A 38 -4.245 -9.010 -5.683 1.00 0.00 C ATOM 608 C ARG A 38 -3.125 -8.755 -6.650 1.00 0.00 C ATOM 609 O ARG A 38 -2.991 -9.474 -7.635 1.00 0.00 O ATOM 610 CB ARG A 38 -3.965 -10.304 -4.858 1.00 0.00 C ATOM 611 CG ARG A 38 -3.833 -11.611 -5.634 1.00 0.00 C ATOM 612 CD ARG A 38 -3.355 -12.717 -4.703 1.00 0.00 C ATOM 613 NE ARG A 38 -3.369 -14.040 -5.330 1.00 0.00 N ATOM 614 CZ ARG A 38 -2.421 -14.987 -5.174 1.00 0.00 C ATOM 615 NH1 ARG A 38 -1.251 -14.695 -4.602 1.00 0.00 N ATOM 616 NH2 ARG A 38 -2.631 -16.211 -5.647 1.00 0.00 N ATOM 0 H ARG A 38 -5.391 -9.383 -7.385 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.322 -8.201 -4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.045 -10.152 -4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.769 -10.422 -4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.793 -11.882 -6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.129 -11.487 -6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.343 -12.490 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.987 -12.735 -3.815 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.160 -14.264 -5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.065 -13.746 -4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.543 -15.421 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.505 -16.430 -6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.918 -16.931 -5.532 1.00 0.00 H new ATOM 630 N VAL A 39 -2.370 -7.717 -6.433 1.00 0.00 N ATOM 631 CA VAL A 39 -1.278 -7.411 -7.333 1.00 0.00 C ATOM 632 C VAL A 39 -0.054 -6.990 -6.564 1.00 0.00 C ATOM 633 O VAL A 39 -0.157 -6.321 -5.517 1.00 0.00 O ATOM 634 CB VAL A 39 -1.670 -6.317 -8.395 1.00 0.00 C ATOM 635 CG1 VAL A 39 -0.459 -5.845 -9.204 1.00 0.00 C ATOM 636 CG2 VAL A 39 -2.718 -6.858 -9.357 1.00 0.00 C ATOM 0 H VAL A 39 -2.482 -7.070 -5.652 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.050 -8.325 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.072 -5.469 -7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.775 -5.091 -9.925 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.283 -5.416 -8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.022 -6.692 -9.733 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.977 -6.088 -10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.319 -7.729 -9.877 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.610 -7.145 -8.800 1.00 0.00 H new ATOM 646 N VAL A 40 1.075 -7.428 -7.047 1.00 0.00 N ATOM 647 CA VAL A 40 2.340 -7.082 -6.499 1.00 0.00 C ATOM 648 C VAL A 40 3.035 -6.139 -7.483 1.00 0.00 C ATOM 649 O VAL A 40 2.867 -6.269 -8.705 1.00 0.00 O ATOM 650 CB VAL A 40 3.226 -8.346 -6.191 1.00 0.00 C ATOM 651 CG1 VAL A 40 3.346 -9.260 -7.395 1.00 0.00 C ATOM 652 CG2 VAL A 40 4.613 -7.954 -5.684 1.00 0.00 C ATOM 0 H VAL A 40 1.134 -8.051 -7.853 1.00 0.00 H new ATOM 0 HA VAL A 40 2.193 -6.587 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 40 2.716 -8.895 -5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.966 -10.120 -7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.355 -9.603 -7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.804 -8.716 -8.221 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.194 -8.854 -5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.121 -7.355 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.514 -7.373 -4.767 1.00 0.00 H new ATOM 662 N HIS A 41 3.756 -5.189 -6.968 1.00 0.00 N ATOM 663 CA HIS A 41 4.426 -4.217 -7.778 1.00 0.00 C ATOM 664 C HIS A 41 5.830 -4.096 -7.248 1.00 0.00 C ATOM 665 O HIS A 41 6.026 -4.002 -6.015 1.00 0.00 O ATOM 666 CB HIS A 41 3.659 -2.891 -7.665 1.00 0.00 C ATOM 667 CG HIS A 41 4.072 -1.731 -8.564 1.00 0.00 C ATOM 668 ND1 HIS A 41 4.884 -0.669 -8.315 1.00 0.00 N flip ATOM 669 CD2 HIS A 41 3.581 -1.526 -9.841 1.00 0.00 C flip ATOM 670 CE1 HIS A 41 4.907 0.162 -9.430 1.00 0.00 C flip ATOM 671 NE2 HIS A 41 4.109 -0.403 -10.314 1.00 0.00 N flip ATOM 0 H HIS A 41 3.897 -5.066 -5.965 1.00 0.00 H new ATOM 0 HA HIS A 41 4.463 -4.498 -8.830 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.606 -3.100 -7.856 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.734 -2.552 -6.632 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.888 -2.169 -10.363 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.463 1.080 -9.547 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.921 -0.026 -11.243 1.00 0.00 H new ATOM 679 N ILE A 42 6.789 -4.173 -8.129 1.00 0.00 N ATOM 680 CA ILE A 42 8.167 -4.060 -7.739 1.00 0.00 C ATOM 681 C ILE A 42 8.518 -2.577 -7.655 1.00 0.00 C ATOM 682 O ILE A 42 8.026 -1.778 -8.467 1.00 0.00 O ATOM 683 CB ILE A 42 9.124 -4.840 -8.708 1.00 0.00 C ATOM 684 CG1 ILE A 42 10.571 -4.839 -8.177 1.00 0.00 C ATOM 685 CG2 ILE A 42 9.067 -4.277 -10.128 1.00 0.00 C ATOM 686 CD1 ILE A 42 11.542 -5.653 -9.015 1.00 0.00 C ATOM 0 H ILE A 42 6.640 -4.314 -9.128 1.00 0.00 H new ATOM 0 HA ILE A 42 8.307 -4.524 -6.763 1.00 0.00 H new ATOM 0 HB ILE A 42 8.776 -5.872 -8.747 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.927 -3.810 -8.126 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.573 -5.228 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.742 -4.842 -10.771 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.050 -4.358 -10.511 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.368 -3.230 -10.116 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.537 -5.600 -8.573 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.214 -6.692 -9.046 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.573 -5.252 -10.028 1.00 0.00 H new ATOM 698 N LYS A 43 9.322 -2.222 -6.658 1.00 0.00 N ATOM 699 CA LYS A 43 9.716 -0.832 -6.382 1.00 0.00 C ATOM 700 C LYS A 43 8.514 -0.012 -5.894 1.00 0.00 C ATOM 701 O LYS A 43 8.037 0.873 -6.614 1.00 0.00 O ATOM 702 CB LYS A 43 10.360 -0.110 -7.593 1.00 0.00 C ATOM 703 CG LYS A 43 11.678 -0.658 -8.082 1.00 0.00 C ATOM 704 CD LYS A 43 12.181 0.168 -9.255 1.00 0.00 C ATOM 705 CE LYS A 43 13.557 -0.273 -9.705 1.00 0.00 C ATOM 706 NZ LYS A 43 14.066 0.543 -10.829 1.00 0.00 N ATOM 0 H LYS A 43 9.727 -2.895 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 43 10.476 -0.898 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.652 -0.136 -8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.503 0.938 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.410 -0.642 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.559 -1.699 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.482 0.081 -10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.211 1.220 -8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.250 -0.206 -8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.521 -1.320 -10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.011 0.205 -11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.419 0.460 -11.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.126 1.539 -10.536 1.00 0.00 H new ATOM 720 N PRO A 44 7.937 -0.343 -4.713 1.00 0.00 N ATOM 721 CA PRO A 44 6.828 0.420 -4.157 1.00 0.00 C ATOM 722 C PRO A 44 7.317 1.705 -3.471 1.00 0.00 C ATOM 723 O PRO A 44 8.526 1.913 -3.306 1.00 0.00 O ATOM 724 CB PRO A 44 6.223 -0.535 -3.139 1.00 0.00 C ATOM 725 CG PRO A 44 7.396 -1.308 -2.654 1.00 0.00 C ATOM 726 CD PRO A 44 8.256 -1.511 -3.864 1.00 0.00 C ATOM 0 HA PRO A 44 6.120 0.747 -4.919 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.731 0.001 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.474 -1.184 -3.592 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.932 -0.765 -1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.089 -2.261 -2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.314 -1.541 -3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.025 -2.449 -4.368 1.00 0.00 H new ATOM 734 N GLY A 45 6.388 2.565 -3.090 1.00 0.00 N ATOM 735 CA GLY A 45 6.761 3.803 -2.468 1.00 0.00 C ATOM 736 C GLY A 45 5.565 4.575 -1.993 1.00 0.00 C ATOM 737 O GLY A 45 5.375 5.739 -2.363 1.00 0.00 O ATOM 0 H GLY A 45 5.384 2.423 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.421 3.601 -1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.326 4.409 -3.176 1.00 0.00 H new ATOM 741 N GLU A 46 4.715 3.909 -1.270 1.00 0.00 N ATOM 742 CA GLU A 46 3.549 4.529 -0.673 1.00 0.00 C ATOM 743 C GLU A 46 3.641 4.389 0.822 1.00 0.00 C ATOM 744 O GLU A 46 4.178 3.414 1.328 1.00 0.00 O ATOM 745 CB GLU A 46 2.259 3.919 -1.245 1.00 0.00 C ATOM 746 CG GLU A 46 0.951 4.129 -0.468 1.00 0.00 C ATOM 747 CD GLU A 46 0.451 5.554 -0.436 1.00 0.00 C ATOM 748 OE1 GLU A 46 0.840 6.315 0.472 1.00 0.00 O ATOM 749 OE2 GLU A 46 -0.362 5.927 -1.310 1.00 0.00 O ATOM 0 H GLU A 46 4.803 2.913 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 46 3.518 5.591 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.118 4.319 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.416 2.845 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.179 3.498 -0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.096 3.787 0.557 1.00 0.00 H new ATOM 756 N LYS A 47 3.178 5.392 1.504 1.00 0.00 N ATOM 757 CA LYS A 47 3.155 5.436 2.929 1.00 0.00 C ATOM 758 C LYS A 47 1.889 6.034 3.282 1.00 0.00 C ATOM 759 O LYS A 47 1.743 7.255 3.423 1.00 0.00 O ATOM 760 CB LYS A 47 4.286 6.209 3.549 1.00 0.00 C ATOM 761 CG LYS A 47 5.621 5.662 3.202 1.00 0.00 C ATOM 762 CD LYS A 47 6.502 6.677 2.524 1.00 0.00 C ATOM 763 CE LYS A 47 6.012 7.154 1.167 1.00 0.00 C ATOM 764 NZ LYS A 47 5.026 8.246 1.286 1.00 0.00 N ATOM 0 H LYS A 47 2.794 6.229 1.066 1.00 0.00 H new ATOM 0 HA LYS A 47 3.277 4.424 3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.230 7.248 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.169 6.207 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.112 5.308 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.497 4.799 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.605 7.541 3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.497 6.248 2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.861 7.496 0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.564 6.318 0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.128 7.952 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.870 8.465 2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.385 9.092 0.799 1.00 0.00 H new ATOM 778 N ILE A 48 0.972 5.209 3.255 1.00 0.00 N ATOM 779 CA ILE A 48 -0.358 5.552 3.543 1.00 0.00 C ATOM 780 C ILE A 48 -0.514 5.796 5.006 1.00 0.00 C ATOM 781 O ILE A 48 -0.339 4.902 5.815 1.00 0.00 O ATOM 782 CB ILE A 48 -1.418 4.495 3.087 1.00 0.00 C ATOM 783 CG1 ILE A 48 -1.011 3.055 3.444 1.00 0.00 C ATOM 784 CG2 ILE A 48 -1.840 4.649 1.646 1.00 0.00 C ATOM 785 CD1 ILE A 48 -2.047 2.001 3.104 1.00 0.00 C ATOM 0 H ILE A 48 1.106 4.225 3.024 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.556 6.455 2.965 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.314 4.709 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.084 2.815 2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.800 3.006 4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.576 3.884 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.279 5.636 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.970 4.539 0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.674 1.018 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.970 2.210 3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.243 2.016 2.032 1.00 0.00 H new ATOM 797 N LEU A 49 -0.721 7.044 5.328 1.00 0.00 N ATOM 798 CA LEU A 49 -1.007 7.548 6.678 1.00 0.00 C ATOM 799 C LEU A 49 0.129 7.285 7.645 1.00 0.00 C ATOM 800 O LEU A 49 -0.037 7.406 8.853 1.00 0.00 O ATOM 801 CB LEU A 49 -2.315 6.935 7.275 1.00 0.00 C ATOM 802 CG LEU A 49 -3.534 6.669 6.342 1.00 0.00 C ATOM 803 CD1 LEU A 49 -3.659 7.645 5.178 1.00 0.00 C ATOM 804 CD2 LEU A 49 -3.586 5.218 5.908 1.00 0.00 C ATOM 0 H LEU A 49 -0.697 7.789 4.632 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.135 8.624 6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.048 5.987 7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.652 7.598 8.072 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.422 6.864 6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.533 7.388 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.769 8.659 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.765 7.587 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.447 5.063 5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.673 4.967 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.675 4.579 6.786 1.00 0.00 H new ATOM 816 N GLY A 50 1.266 6.948 7.127 1.00 0.00 N ATOM 817 CA GLY A 50 2.398 6.591 7.959 1.00 0.00 C ATOM 818 C GLY A 50 2.291 5.133 8.431 1.00 0.00 C ATOM 819 O GLY A 50 3.277 4.393 8.437 1.00 0.00 O ATOM 0 H GLY A 50 1.448 6.909 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.324 6.730 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.444 7.255 8.822 1.00 0.00 H new ATOM 823 N ALA A 51 1.086 4.736 8.795 1.00 0.00 N ATOM 824 CA ALA A 51 0.778 3.410 9.237 1.00 0.00 C ATOM 825 C ALA A 51 -0.190 2.799 8.248 1.00 0.00 C ATOM 826 O ALA A 51 -1.274 3.343 8.015 1.00 0.00 O ATOM 827 CB ALA A 51 0.170 3.444 10.628 1.00 0.00 C ATOM 0 H ALA A 51 0.276 5.356 8.787 1.00 0.00 H new ATOM 0 HA ALA A 51 1.687 2.810 9.288 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.059 2.428 10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.878 3.894 11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.746 4.034 10.610 1.00 0.00 H new ATOM 833 N ARG A 52 0.213 1.695 7.675 1.00 0.00 N ATOM 834 CA ARG A 52 -0.532 0.978 6.655 1.00 0.00 C ATOM 835 C ARG A 52 -1.895 0.454 7.159 1.00 0.00 C ATOM 836 O ARG A 52 -1.979 -0.628 7.753 1.00 0.00 O ATOM 837 CB ARG A 52 0.360 -0.163 6.130 1.00 0.00 C ATOM 838 CG ARG A 52 -0.247 -1.092 5.093 1.00 0.00 C ATOM 839 CD ARG A 52 0.747 -2.196 4.734 1.00 0.00 C ATOM 840 NE ARG A 52 1.168 -2.968 5.925 1.00 0.00 N ATOM 841 CZ ARG A 52 2.092 -3.961 5.948 1.00 0.00 C ATOM 842 NH1 ARG A 52 2.744 -4.317 4.853 1.00 0.00 N ATOM 843 NH2 ARG A 52 2.367 -4.580 7.073 1.00 0.00 N ATOM 0 H ARG A 52 1.100 1.249 7.909 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.778 1.667 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.260 0.280 5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.675 -0.766 6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.167 -1.531 5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.515 -0.528 4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.294 -2.869 4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.623 -1.755 4.259 1.00 0.00 H new ATOM 0 HE ARG A 52 0.722 -2.731 6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.556 -3.842 3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.435 -5.066 4.892 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.885 -4.315 7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.062 -5.326 7.088 1.00 0.00 H new ATOM 857 N ILE A 53 -2.942 1.249 6.968 1.00 0.00 N ATOM 858 CA ILE A 53 -4.281 0.869 7.340 1.00 0.00 C ATOM 859 C ILE A 53 -5.148 0.987 6.096 1.00 0.00 C ATOM 860 O ILE A 53 -5.064 1.987 5.393 1.00 0.00 O ATOM 861 CB ILE A 53 -4.851 1.806 8.453 1.00 0.00 C ATOM 862 CG1 ILE A 53 -3.922 1.866 9.692 1.00 0.00 C ATOM 863 CG2 ILE A 53 -6.254 1.368 8.865 1.00 0.00 C ATOM 864 CD1 ILE A 53 -3.690 0.531 10.386 1.00 0.00 C ATOM 0 H ILE A 53 -2.875 2.176 6.549 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.275 -0.148 7.733 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.904 2.809 8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.958 2.272 9.385 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.347 2.564 10.413 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.630 2.035 9.641 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.916 1.407 8.000 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.219 0.348 9.249 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.028 0.675 11.240 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.643 0.129 10.729 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.232 -0.168 9.686 1.00 0.00 H new ATOM 876 N ILE A 54 -5.949 -0.026 5.821 1.00 0.00 N ATOM 877 CA ILE A 54 -6.804 -0.041 4.626 1.00 0.00 C ATOM 878 C ILE A 54 -8.060 0.802 4.874 1.00 0.00 C ATOM 879 O ILE A 54 -8.650 1.354 3.957 1.00 0.00 O ATOM 880 CB ILE A 54 -7.208 -1.503 4.248 1.00 0.00 C ATOM 881 CG1 ILE A 54 -5.948 -2.378 4.099 1.00 0.00 C ATOM 882 CG2 ILE A 54 -8.023 -1.530 2.950 1.00 0.00 C ATOM 883 CD1 ILE A 54 -6.233 -3.841 3.807 1.00 0.00 C ATOM 0 H ILE A 54 -6.033 -0.857 6.406 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.242 0.384 3.795 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.830 -1.903 5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.332 -1.973 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.362 -2.310 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.291 -2.559 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.930 -0.939 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.428 -1.111 2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.292 -4.384 3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.821 -4.266 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.790 -3.924 2.874 1.00 0.00 H new ATOM 895 N GLY A 55 -8.469 0.862 6.122 1.00 0.00 N ATOM 896 CA GLY A 55 -9.621 1.669 6.496 1.00 0.00 C ATOM 897 C GLY A 55 -10.917 0.947 6.249 1.00 0.00 C ATOM 898 O GLY A 55 -12.011 1.508 6.398 1.00 0.00 O ATOM 0 H GLY A 55 -8.027 0.366 6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.550 1.936 7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.611 2.600 5.930 1.00 0.00 H new ATOM 902 N ILE A 56 -10.791 -0.279 5.868 1.00 0.00 N ATOM 903 CA ILE A 56 -11.890 -1.140 5.611 1.00 0.00 C ATOM 904 C ILE A 56 -11.659 -2.365 6.433 1.00 0.00 C ATOM 905 O ILE A 56 -10.598 -2.957 6.298 1.00 0.00 O ATOM 906 CB ILE A 56 -11.913 -1.595 4.130 1.00 0.00 C ATOM 907 CG1 ILE A 56 -11.953 -0.404 3.180 1.00 0.00 C ATOM 908 CG2 ILE A 56 -13.095 -2.532 3.874 1.00 0.00 C ATOM 909 CD1 ILE A 56 -11.841 -0.795 1.728 1.00 0.00 C ATOM 0 H ILE A 56 -9.885 -0.723 5.722 1.00 0.00 H new ATOM 0 HA ILE A 56 -12.822 -0.623 5.840 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.989 -2.140 3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.884 0.141 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.140 0.278 3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.095 -2.841 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.007 -3.411 4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -14.026 -2.012 4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.876 0.100 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.897 -1.315 1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -12.669 -1.453 1.464 1.00 0.00 H new ATOM 921 N PRO A 57 -12.587 -2.734 7.328 1.00 0.00 N ATOM 922 CA PRO A 57 -12.462 -3.954 8.120 1.00 0.00 C ATOM 923 C PRO A 57 -12.522 -5.182 7.197 1.00 0.00 C ATOM 924 O PRO A 57 -13.573 -5.482 6.608 1.00 0.00 O ATOM 925 CB PRO A 57 -13.698 -3.926 9.035 1.00 0.00 C ATOM 926 CG PRO A 57 -14.157 -2.510 9.018 1.00 0.00 C ATOM 927 CD PRO A 57 -13.815 -1.993 7.657 1.00 0.00 C ATOM 0 HA PRO A 57 -11.525 -4.010 8.673 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.475 -4.597 8.670 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.448 -4.248 10.046 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.229 -2.443 9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -13.661 -1.928 9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.611 -2.188 6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.648 -0.916 7.663 1.00 0.00 H new ATOM 935 N PRO A 58 -11.405 -5.868 6.981 1.00 0.00 N ATOM 936 CA PRO A 58 -11.349 -6.995 6.106 1.00 0.00 C ATOM 937 C PRO A 58 -11.147 -8.297 6.862 1.00 0.00 C ATOM 938 O PRO A 58 -11.245 -8.343 8.095 1.00 0.00 O ATOM 939 CB PRO A 58 -10.069 -6.661 5.338 1.00 0.00 C ATOM 940 CG PRO A 58 -9.161 -6.034 6.375 1.00 0.00 C ATOM 941 CD PRO A 58 -10.059 -5.577 7.515 1.00 0.00 C ATOM 0 HA PRO A 58 -12.253 -7.141 5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.620 -7.555 4.905 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.267 -5.974 4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.421 -6.752 6.728 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.612 -5.193 5.952 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.859 -6.124 8.436 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.929 -4.518 7.738 1.00 0.00 H new ATOM 949 N VAL A 59 -10.930 -9.351 6.126 1.00 0.00 N ATOM 950 CA VAL A 59 -10.606 -10.613 6.723 1.00 0.00 C ATOM 951 C VAL A 59 -9.165 -10.450 7.199 1.00 0.00 C ATOM 952 O VAL A 59 -8.290 -10.196 6.387 1.00 0.00 O ATOM 953 CB VAL A 59 -10.737 -11.775 5.699 1.00 0.00 C ATOM 954 CG1 VAL A 59 -10.283 -13.091 6.305 1.00 0.00 C ATOM 955 CG2 VAL A 59 -12.179 -11.895 5.234 1.00 0.00 C ATOM 0 H VAL A 59 -10.972 -9.359 5.107 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.283 -10.869 7.538 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.096 -11.550 4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.386 -13.886 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.239 -13.011 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.898 -13.322 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.263 -12.711 4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.822 -12.097 6.091 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.487 -10.963 4.761 1.00 0.00 H new ATOM 965 N PRO A 60 -8.923 -10.531 8.510 1.00 0.00 N ATOM 966 CA PRO A 60 -7.631 -10.157 9.129 1.00 0.00 C ATOM 967 C PRO A 60 -6.478 -11.149 8.910 1.00 0.00 C ATOM 968 O PRO A 60 -5.647 -11.345 9.805 1.00 0.00 O ATOM 969 CB PRO A 60 -7.993 -10.096 10.615 1.00 0.00 C ATOM 970 CG PRO A 60 -9.073 -11.101 10.774 1.00 0.00 C ATOM 971 CD PRO A 60 -9.890 -11.015 9.521 1.00 0.00 C ATOM 0 HA PRO A 60 -7.246 -9.237 8.689 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.134 -10.333 11.243 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.332 -9.100 10.901 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.661 -12.102 10.906 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.680 -10.888 11.654 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.307 -11.984 9.246 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.729 -10.328 9.635 1.00 0.00 H new ATOM 979 N ILE A 61 -6.369 -11.719 7.742 1.00 0.00 N ATOM 980 CA ILE A 61 -5.296 -12.635 7.480 1.00 0.00 C ATOM 981 C ILE A 61 -4.214 -11.840 6.788 1.00 0.00 C ATOM 982 O ILE A 61 -4.517 -10.945 6.027 1.00 0.00 O ATOM 983 CB ILE A 61 -5.773 -13.820 6.590 1.00 0.00 C ATOM 984 CG1 ILE A 61 -6.911 -14.576 7.292 1.00 0.00 C ATOM 985 CG2 ILE A 61 -4.615 -14.777 6.266 1.00 0.00 C ATOM 986 CD1 ILE A 61 -7.534 -15.671 6.456 1.00 0.00 C ATOM 0 H ILE A 61 -7.007 -11.566 6.961 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.927 -13.076 8.406 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.140 -13.413 5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.528 -15.012 8.215 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.686 -13.863 7.574 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.981 -15.593 5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.834 -14.236 5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.208 -15.182 7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.328 -16.155 7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.950 -15.241 5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.774 -16.407 6.196 1.00 0.00 H new ATOM 998 N GLY A 62 -2.983 -12.086 7.085 1.00 0.00 N ATOM 999 CA GLY A 62 -1.976 -11.339 6.421 1.00 0.00 C ATOM 1000 C GLY A 62 -0.645 -11.435 7.063 1.00 0.00 C ATOM 1001 O GLY A 62 -0.507 -11.242 8.269 1.00 0.00 O ATOM 0 H GLY A 62 -2.658 -12.777 7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.899 -11.685 5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.277 -10.292 6.384 1.00 0.00 H new ATOM 1005 N ILE A 63 0.333 -11.737 6.269 1.00 0.00 N ATOM 1006 CA ILE A 63 1.675 -11.864 6.719 1.00 0.00 C ATOM 1007 C ILE A 63 2.517 -10.837 5.966 1.00 0.00 C ATOM 1008 O ILE A 63 2.185 -10.462 4.846 1.00 0.00 O ATOM 1009 CB ILE A 63 2.260 -13.331 6.489 1.00 0.00 C ATOM 1010 CG1 ILE A 63 1.460 -14.433 7.246 1.00 0.00 C ATOM 1011 CG2 ILE A 63 3.729 -13.423 6.884 1.00 0.00 C ATOM 1012 CD1 ILE A 63 0.112 -14.805 6.645 1.00 0.00 C ATOM 0 H ILE A 63 0.214 -11.905 5.270 1.00 0.00 H new ATOM 0 HA ILE A 63 1.705 -11.687 7.794 1.00 0.00 H new ATOM 0 HB ILE A 63 2.159 -13.513 5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.075 -15.332 7.296 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.300 -14.099 8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.089 -14.437 6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.312 -12.725 6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.838 -13.173 7.939 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.356 -15.580 7.252 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.531 -13.925 6.621 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.256 -15.177 5.631 1.00 0.00 H new ATOM 1024 N ASP A 64 3.510 -10.331 6.618 1.00 0.00 N ATOM 1025 CA ASP A 64 4.445 -9.405 6.042 1.00 0.00 C ATOM 1026 C ASP A 64 5.780 -10.088 6.208 1.00 0.00 C ATOM 1027 O ASP A 64 6.377 -10.052 7.294 1.00 0.00 O ATOM 1028 CB ASP A 64 4.386 -8.058 6.794 1.00 0.00 C ATOM 1029 CG ASP A 64 5.245 -6.958 6.198 1.00 0.00 C ATOM 1030 OD1 ASP A 64 6.421 -6.819 6.587 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.725 -6.142 5.392 1.00 0.00 O ATOM 0 H ASP A 64 3.705 -10.552 7.594 1.00 0.00 H new ATOM 0 HA ASP A 64 4.240 -9.170 4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.351 -7.717 6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.694 -8.221 7.827 1.00 0.00 H new ATOM 1036 N GLU A 65 6.188 -10.815 5.176 1.00 0.00 N ATOM 1037 CA GLU A 65 7.378 -11.600 5.225 1.00 0.00 C ATOM 1038 C GLU A 65 8.606 -10.759 5.351 1.00 0.00 C ATOM 1039 O GLU A 65 9.290 -10.778 6.379 1.00 0.00 O ATOM 1040 CB GLU A 65 7.485 -12.549 4.014 1.00 0.00 C ATOM 1041 CG GLU A 65 6.378 -13.617 3.925 1.00 0.00 C ATOM 1042 CD GLU A 65 5.097 -13.164 3.224 1.00 0.00 C ATOM 1043 OE1 GLU A 65 4.392 -12.281 3.727 1.00 0.00 O ATOM 1044 OE2 GLU A 65 4.792 -13.723 2.139 1.00 0.00 O ATOM 0 H GLU A 65 5.690 -10.866 4.287 1.00 0.00 H new ATOM 0 HA GLU A 65 7.308 -12.210 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.468 -11.953 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.452 -13.051 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.774 -14.486 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.126 -13.942 4.934 1.00 0.00 H new ATOM 1051 N GLU A 66 8.852 -9.987 4.358 1.00 0.00 N ATOM 1052 CA GLU A 66 10.021 -9.179 4.321 1.00 0.00 C ATOM 1053 C GLU A 66 9.718 -8.077 3.309 1.00 0.00 C ATOM 1054 O GLU A 66 8.716 -8.168 2.598 1.00 0.00 O ATOM 1055 CB GLU A 66 11.209 -10.103 3.928 1.00 0.00 C ATOM 1056 CG GLU A 66 12.617 -9.663 4.308 1.00 0.00 C ATOM 1057 CD GLU A 66 13.099 -8.522 3.505 1.00 0.00 C ATOM 1058 OE1 GLU A 66 13.443 -8.725 2.331 1.00 0.00 O ATOM 1059 OE2 GLU A 66 13.050 -7.390 4.004 1.00 0.00 O ATOM 0 H GLU A 66 8.247 -9.895 3.542 1.00 0.00 H new ATOM 0 HA GLU A 66 10.294 -8.711 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.033 -11.081 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.182 -10.238 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.635 -9.391 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.301 -10.503 4.184 1.00 0.00 H new ATOM 1066 N ARG A 67 10.545 -7.084 3.228 1.00 0.00 N ATOM 1067 CA ARG A 67 10.305 -5.972 2.362 1.00 0.00 C ATOM 1068 C ARG A 67 10.830 -6.207 0.968 1.00 0.00 C ATOM 1069 O ARG A 67 10.196 -5.834 -0.030 1.00 0.00 O ATOM 1070 CB ARG A 67 10.882 -4.697 2.948 1.00 0.00 C ATOM 1071 CG ARG A 67 10.541 -3.458 2.142 1.00 0.00 C ATOM 1072 CD ARG A 67 9.061 -3.451 1.792 1.00 0.00 C ATOM 1073 NE ARG A 67 8.189 -3.527 2.990 1.00 0.00 N ATOM 1074 CZ ARG A 67 7.209 -4.454 3.197 1.00 0.00 C ATOM 1075 NH1 ARG A 67 6.943 -5.383 2.269 1.00 0.00 N ATOM 1076 NH2 ARG A 67 6.524 -4.454 4.338 1.00 0.00 N ATOM 0 H ARG A 67 11.411 -7.020 3.763 1.00 0.00 H new ATOM 0 HA ARG A 67 9.224 -5.860 2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.512 -4.573 3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.966 -4.793 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.792 -2.564 2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.138 -3.432 1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.828 -2.544 1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.843 -4.293 1.135 1.00 0.00 H new ATOM 0 HE ARG A 67 8.334 -2.829 3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.475 -5.402 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.209 -6.072 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.731 -3.761 5.057 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.791 -5.147 4.493 1.00 0.00 H new ATOM 1090 N SER A 68 11.950 -6.825 0.890 1.00 0.00 N ATOM 1091 CA SER A 68 12.549 -7.153 -0.372 1.00 0.00 C ATOM 1092 C SER A 68 12.065 -8.552 -0.775 1.00 0.00 C ATOM 1093 O SER A 68 12.719 -9.306 -1.498 1.00 0.00 O ATOM 1094 CB SER A 68 14.080 -7.055 -0.266 1.00 0.00 C ATOM 1095 OG SER A 68 14.707 -7.169 -1.542 1.00 0.00 O ATOM 0 H SER A 68 12.490 -7.125 1.701 1.00 0.00 H new ATOM 0 HA SER A 68 12.251 -6.450 -1.150 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.353 -6.103 0.189 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.450 -7.841 0.392 1.00 0.00 H new ATOM 0 HG SER A 68 14.150 -6.734 -2.220 1.00 0.00 H new ATOM 1101 N THR A 69 10.889 -8.839 -0.331 1.00 0.00 N ATOM 1102 CA THR A 69 10.200 -10.050 -0.558 1.00 0.00 C ATOM 1103 C THR A 69 8.739 -9.621 -0.650 1.00 0.00 C ATOM 1104 O THR A 69 8.439 -8.456 -0.360 1.00 0.00 O ATOM 1105 CB THR A 69 10.408 -10.999 0.656 1.00 0.00 C ATOM 1106 OG1 THR A 69 11.817 -11.060 0.992 1.00 0.00 O ATOM 1107 CG2 THR A 69 9.940 -12.409 0.343 1.00 0.00 C ATOM 0 H THR A 69 10.353 -8.184 0.238 1.00 0.00 H new ATOM 0 HA THR A 69 10.539 -10.583 -1.446 1.00 0.00 H new ATOM 0 HB THR A 69 9.825 -10.602 1.487 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.993 -11.867 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.100 -13.047 1.212 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.879 -12.393 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.505 -12.801 -0.503 1.00 0.00 H new ATOM 1115 N VAL A 70 7.861 -10.483 -1.050 1.00 0.00 N ATOM 1116 CA VAL A 70 6.482 -10.128 -1.114 1.00 0.00 C ATOM 1117 C VAL A 70 5.870 -10.374 0.228 1.00 0.00 C ATOM 1118 O VAL A 70 6.409 -11.143 1.036 1.00 0.00 O ATOM 1119 CB VAL A 70 5.701 -10.904 -2.214 1.00 0.00 C ATOM 1120 CG1 VAL A 70 6.241 -10.595 -3.590 1.00 0.00 C ATOM 1121 CG2 VAL A 70 5.691 -12.401 -1.964 1.00 0.00 C ATOM 0 H VAL A 70 8.075 -11.438 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 70 6.417 -9.075 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 70 4.668 -10.561 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.675 -11.152 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.147 -9.527 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.291 -10.883 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.134 -12.899 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.715 -12.774 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.217 -12.606 -1.004 1.00 0.00 H new ATOM 1131 N MET A 71 4.815 -9.707 0.469 1.00 0.00 N ATOM 1132 CA MET A 71 4.075 -9.836 1.681 1.00 0.00 C ATOM 1133 C MET A 71 2.729 -10.385 1.297 1.00 0.00 C ATOM 1134 O MET A 71 2.217 -10.042 0.223 1.00 0.00 O ATOM 1135 CB MET A 71 3.938 -8.452 2.354 1.00 0.00 C ATOM 1136 CG MET A 71 3.169 -7.425 1.527 1.00 0.00 C ATOM 1137 SD MET A 71 3.209 -5.766 2.227 1.00 0.00 S ATOM 1138 CE MET A 71 2.053 -4.921 1.156 1.00 0.00 C ATOM 0 H MET A 71 4.419 -9.031 -0.184 1.00 0.00 H new ATOM 0 HA MET A 71 4.569 -10.497 2.393 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.438 -8.576 3.314 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.934 -8.062 2.562 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.585 -7.396 0.520 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.132 -7.747 1.435 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.199 -3.844 1.241 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.221 -5.230 0.124 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.034 -5.173 1.449 1.00 0.00 H new ATOM 1148 N ILE A 72 2.169 -11.235 2.093 1.00 0.00 N ATOM 1149 CA ILE A 72 0.878 -11.778 1.761 1.00 0.00 C ATOM 1150 C ILE A 72 -0.232 -11.352 2.749 1.00 0.00 C ATOM 1151 O ILE A 72 -0.567 -12.071 3.697 1.00 0.00 O ATOM 1152 CB ILE A 72 0.904 -13.336 1.532 1.00 0.00 C ATOM 1153 CG1 ILE A 72 -0.475 -13.889 1.112 1.00 0.00 C ATOM 1154 CG2 ILE A 72 1.458 -14.095 2.736 1.00 0.00 C ATOM 1155 CD1 ILE A 72 -0.993 -13.339 -0.206 1.00 0.00 C ATOM 0 H ILE A 72 2.572 -11.570 2.968 1.00 0.00 H new ATOM 0 HA ILE A 72 0.619 -11.332 0.801 1.00 0.00 H new ATOM 0 HB ILE A 72 1.590 -13.504 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.411 -14.975 1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.198 -13.664 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.454 -15.164 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.479 -13.768 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.837 -13.895 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.966 -13.779 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.092 -12.256 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.293 -13.587 -1.004 1.00 0.00 H new ATOM 1167 N PRO A 73 -0.777 -10.142 2.599 1.00 0.00 N ATOM 1168 CA PRO A 73 -1.855 -9.694 3.417 1.00 0.00 C ATOM 1169 C PRO A 73 -3.135 -10.200 2.806 1.00 0.00 C ATOM 1170 O PRO A 73 -3.640 -9.635 1.839 1.00 0.00 O ATOM 1171 CB PRO A 73 -1.775 -8.154 3.349 1.00 0.00 C ATOM 1172 CG PRO A 73 -0.606 -7.868 2.460 1.00 0.00 C ATOM 1173 CD PRO A 73 -0.396 -9.112 1.649 1.00 0.00 C ATOM 0 HA PRO A 73 -1.813 -10.044 4.448 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.693 -7.728 2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.633 -7.722 4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.804 -7.011 1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.281 -7.629 3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.018 -9.129 0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.638 -9.218 1.321 1.00 0.00 H new ATOM 1181 N TYR A 74 -3.646 -11.282 3.327 1.00 0.00 N ATOM 1182 CA TYR A 74 -4.817 -11.873 2.770 1.00 0.00 C ATOM 1183 C TYR A 74 -6.019 -11.264 3.415 1.00 0.00 C ATOM 1184 O TYR A 74 -6.722 -11.867 4.245 1.00 0.00 O ATOM 1185 CB TYR A 74 -4.817 -13.389 2.902 1.00 0.00 C ATOM 1186 CG TYR A 74 -5.796 -14.072 1.976 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -5.440 -14.353 0.666 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -7.073 -14.418 2.396 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -6.321 -14.959 -0.196 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -7.961 -15.022 1.535 1.00 0.00 C ATOM 1191 CZ TYR A 74 -7.579 -15.289 0.244 1.00 0.00 C ATOM 1192 OH TYR A 74 -8.465 -15.884 -0.620 1.00 0.00 O ATOM 0 H TYR A 74 -3.264 -11.768 4.138 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.837 -11.668 1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.814 -13.764 2.699 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.055 -13.657 3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.452 -14.091 0.317 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.374 -14.210 3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.026 -15.174 -1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.953 -15.284 1.873 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.311 -16.055 -0.155 1.00 0.00 H new ATOM 1202 N THR A 75 -6.181 -10.051 3.121 1.00 0.00 N ATOM 1203 CA THR A 75 -7.223 -9.318 3.613 1.00 0.00 C ATOM 1204 C THR A 75 -8.249 -9.137 2.513 1.00 0.00 C ATOM 1205 O THR A 75 -7.894 -8.980 1.333 1.00 0.00 O ATOM 1206 CB THR A 75 -6.710 -7.963 4.142 1.00 0.00 C ATOM 1207 OG1 THR A 75 -5.842 -7.356 3.171 1.00 0.00 O ATOM 1208 CG2 THR A 75 -5.952 -8.123 5.454 1.00 0.00 C ATOM 0 H THR A 75 -5.558 -9.530 2.504 1.00 0.00 H new ATOM 0 HA THR A 75 -7.693 -9.836 4.449 1.00 0.00 H new ATOM 0 HB THR A 75 -7.579 -7.329 4.320 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.397 -6.580 3.570 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.606 -7.147 5.796 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.612 -8.557 6.205 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.095 -8.779 5.301 1.00 0.00 H new ATOM 1216 N LYS A 76 -9.503 -9.251 2.865 1.00 0.00 N ATOM 1217 CA LYS A 76 -10.572 -9.045 1.906 1.00 0.00 C ATOM 1218 C LYS A 76 -11.296 -7.738 2.186 1.00 0.00 C ATOM 1219 O LYS A 76 -12.175 -7.679 3.062 1.00 0.00 O ATOM 1220 CB LYS A 76 -11.576 -10.197 1.901 1.00 0.00 C ATOM 1221 CG LYS A 76 -11.013 -11.530 1.457 1.00 0.00 C ATOM 1222 CD LYS A 76 -12.121 -12.557 1.358 1.00 0.00 C ATOM 1223 CE LYS A 76 -11.603 -13.896 0.889 1.00 0.00 C ATOM 1224 NZ LYS A 76 -12.693 -14.868 0.722 1.00 0.00 N ATOM 0 H LYS A 76 -9.816 -9.485 3.807 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.108 -9.003 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.985 -10.308 2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.406 -9.933 1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.520 -11.421 0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.256 -11.868 2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.598 -12.672 2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.886 -12.201 0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.077 -13.772 -0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.879 -14.279 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.302 -15.776 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.179 -15.004 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.370 -14.513 0.017 1.00 0.00 H new ATOM 1238 N PRO A 77 -10.873 -6.649 1.547 1.00 0.00 N ATOM 1239 CA PRO A 77 -11.501 -5.373 1.687 1.00 0.00 C ATOM 1240 C PRO A 77 -12.397 -5.071 0.480 1.00 0.00 C ATOM 1241 O PRO A 77 -12.691 -5.951 -0.325 1.00 0.00 O ATOM 1242 CB PRO A 77 -10.288 -4.434 1.702 1.00 0.00 C ATOM 1243 CG PRO A 77 -9.228 -5.136 0.888 1.00 0.00 C ATOM 1244 CD PRO A 77 -9.714 -6.551 0.648 1.00 0.00 C ATOM 0 HA PRO A 77 -12.146 -5.289 2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.536 -3.464 1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.945 -4.252 2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.064 -4.620 -0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.276 -5.141 1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.994 -6.712 -0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.949 -7.289 0.891 1.00 0.00 H new ATOM 1252 N CYS A 78 -12.792 -3.831 0.343 1.00 0.00 N ATOM 1253 CA CYS A 78 -13.622 -3.413 -0.765 1.00 0.00 C ATOM 1254 C CYS A 78 -12.730 -2.898 -1.903 1.00 0.00 C ATOM 1255 O CYS A 78 -13.210 -2.495 -2.957 1.00 0.00 O ATOM 1256 CB CYS A 78 -14.597 -2.319 -0.291 1.00 0.00 C ATOM 1257 SG CYS A 78 -15.856 -1.802 -1.482 1.00 0.00 S ATOM 0 H CYS A 78 -12.550 -3.083 0.992 1.00 0.00 H new ATOM 0 HA CYS A 78 -14.204 -4.257 -1.136 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -15.101 -2.675 0.608 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -14.016 -1.443 -0.005 1.00 0.00 H new ATOM 0 HG CYS A 78 -15.386 -0.841 -2.220 1.00 0.00 H new ATOM 1263 N TYR A 79 -11.428 -2.938 -1.692 1.00 0.00 N ATOM 1264 CA TYR A 79 -10.505 -2.451 -2.687 1.00 0.00 C ATOM 1265 C TYR A 79 -9.768 -3.620 -3.343 1.00 0.00 C ATOM 1266 O TYR A 79 -10.136 -4.047 -4.428 1.00 0.00 O ATOM 1267 CB TYR A 79 -9.533 -1.430 -2.087 1.00 0.00 C ATOM 1268 CG TYR A 79 -8.710 -0.699 -3.120 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -9.308 0.231 -3.955 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -7.350 -0.924 -3.258 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -8.586 0.917 -4.895 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -6.615 -0.240 -4.203 1.00 0.00 C ATOM 1273 CZ TYR A 79 -7.245 0.682 -5.017 1.00 0.00 C ATOM 1274 OH TYR A 79 -6.523 1.364 -5.960 1.00 0.00 O ATOM 0 H TYR A 79 -10.992 -3.301 -0.844 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.070 -1.934 -3.462 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.098 -0.703 -1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.863 -1.941 -1.396 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.367 0.419 -3.862 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.860 -1.643 -2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.072 1.638 -5.535 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.556 -0.423 -4.306 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.086 0.726 -6.562 1.00 0.00 H new ATOM 1284 N GLY A 80 -8.771 -4.161 -2.667 1.00 0.00 N ATOM 1285 CA GLY A 80 -8.038 -5.280 -3.204 1.00 0.00 C ATOM 1286 C GLY A 80 -6.910 -5.681 -2.292 1.00 0.00 C ATOM 1287 O GLY A 80 -6.705 -5.051 -1.252 1.00 0.00 O ATOM 0 H GLY A 80 -8.456 -3.842 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.712 -6.125 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.641 -5.021 -4.185 1.00 0.00 H new ATOM 1291 N THR A 81 -6.199 -6.708 -2.666 1.00 0.00 N ATOM 1292 CA THR A 81 -5.099 -7.218 -1.910 1.00 0.00 C ATOM 1293 C THR A 81 -3.816 -6.575 -2.409 1.00 0.00 C ATOM 1294 O THR A 81 -3.537 -6.533 -3.626 1.00 0.00 O ATOM 1295 CB THR A 81 -5.045 -8.754 -2.011 1.00 0.00 C ATOM 1296 OG1 THR A 81 -6.303 -9.337 -1.565 1.00 0.00 O ATOM 1297 CG2 THR A 81 -3.893 -9.345 -1.216 1.00 0.00 C ATOM 0 H THR A 81 -6.376 -7.224 -3.528 1.00 0.00 H new ATOM 0 HA THR A 81 -5.224 -6.970 -0.856 1.00 0.00 H new ATOM 0 HB THR A 81 -4.880 -8.998 -3.061 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.499 -9.035 -0.654 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.898 -10.430 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.950 -8.949 -1.593 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.003 -9.080 -0.164 1.00 0.00 H new ATOM 1305 N ALA A 82 -3.040 -6.099 -1.480 1.00 0.00 N ATOM 1306 CA ALA A 82 -1.856 -5.388 -1.778 1.00 0.00 C ATOM 1307 C ALA A 82 -0.612 -6.167 -1.461 1.00 0.00 C ATOM 1308 O ALA A 82 -0.346 -6.485 -0.323 1.00 0.00 O ATOM 1309 CB ALA A 82 -1.861 -4.100 -0.985 1.00 0.00 C ATOM 0 H ALA A 82 -3.225 -6.201 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.841 -5.195 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.954 -3.536 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.732 -3.506 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.901 -4.329 0.080 1.00 0.00 H new ATOM 1315 N VAL A 83 0.143 -6.452 -2.469 1.00 0.00 N ATOM 1316 CA VAL A 83 1.395 -7.127 -2.326 1.00 0.00 C ATOM 1317 C VAL A 83 2.447 -6.180 -2.908 1.00 0.00 C ATOM 1318 O VAL A 83 2.214 -5.568 -3.943 1.00 0.00 O ATOM 1319 CB VAL A 83 1.388 -8.473 -3.107 1.00 0.00 C ATOM 1320 CG1 VAL A 83 2.662 -9.254 -2.857 1.00 0.00 C ATOM 1321 CG2 VAL A 83 0.169 -9.320 -2.742 1.00 0.00 C ATOM 0 H VAL A 83 -0.095 -6.219 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 83 1.600 -7.367 -1.283 1.00 0.00 H new ATOM 0 HB VAL A 83 1.332 -8.233 -4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.630 -10.190 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.519 -8.666 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.754 -9.469 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.193 -10.254 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.184 -9.539 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.741 -8.772 -2.987 1.00 0.00 H new ATOM 1331 N VAL A 84 3.538 -5.977 -2.217 1.00 0.00 N ATOM 1332 CA VAL A 84 4.586 -5.091 -2.706 1.00 0.00 C ATOM 1333 C VAL A 84 5.909 -5.786 -2.510 1.00 0.00 C ATOM 1334 O VAL A 84 6.061 -6.549 -1.545 1.00 0.00 O ATOM 1335 CB VAL A 84 4.602 -3.674 -1.974 1.00 0.00 C ATOM 1336 CG1 VAL A 84 3.256 -3.004 -2.048 1.00 0.00 C ATOM 1337 CG2 VAL A 84 5.078 -3.767 -0.523 1.00 0.00 C ATOM 0 H VAL A 84 3.733 -6.408 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 84 4.394 -4.885 -3.759 1.00 0.00 H new ATOM 0 HB VAL A 84 5.325 -3.060 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.301 -2.041 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.983 -2.851 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.509 -3.634 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.069 -2.774 -0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.413 -4.425 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.091 -4.168 -0.497 1.00 0.00 H new ATOM 1347 N GLU A 85 6.822 -5.593 -3.422 1.00 0.00 N ATOM 1348 CA GLU A 85 8.126 -6.171 -3.292 1.00 0.00 C ATOM 1349 C GLU A 85 9.144 -5.142 -3.700 1.00 0.00 C ATOM 1350 O GLU A 85 9.059 -4.550 -4.779 1.00 0.00 O ATOM 1351 CB GLU A 85 8.287 -7.435 -4.133 1.00 0.00 C ATOM 1352 CG GLU A 85 9.599 -8.154 -3.868 1.00 0.00 C ATOM 1353 CD GLU A 85 9.826 -9.331 -4.765 1.00 0.00 C ATOM 1354 OE1 GLU A 85 10.261 -9.133 -5.910 1.00 0.00 O ATOM 1355 OE2 GLU A 85 9.587 -10.481 -4.343 1.00 0.00 O ATOM 0 H GLU A 85 6.683 -5.037 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 85 8.272 -6.467 -2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.458 -8.112 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.228 -7.173 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.422 -7.450 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.618 -8.489 -2.831 1.00 0.00 H new ATOM 1362 N LEU A 86 10.064 -4.895 -2.846 1.00 0.00 N ATOM 1363 CA LEU A 86 11.070 -3.920 -3.101 1.00 0.00 C ATOM 1364 C LEU A 86 12.354 -4.661 -3.534 1.00 0.00 C ATOM 1365 O LEU A 86 12.670 -5.706 -2.981 1.00 0.00 O ATOM 1366 CB LEU A 86 11.314 -3.157 -1.806 1.00 0.00 C ATOM 1367 CG LEU A 86 12.232 -1.951 -1.876 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.582 -0.791 -2.612 1.00 0.00 C ATOM 1369 CD2 LEU A 86 12.662 -1.551 -0.492 1.00 0.00 C ATOM 0 H LEU A 86 10.147 -5.363 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 86 10.771 -3.225 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.349 -2.826 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.726 -3.853 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 86 13.117 -2.229 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.271 0.053 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.339 -1.096 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.669 -0.497 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.321 -0.685 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.784 -1.299 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.193 -2.379 -0.023 1.00 0.00 H new ATOM 1381 N PRO A 87 13.086 -4.176 -4.544 1.00 0.00 N ATOM 1382 CA PRO A 87 14.347 -4.820 -4.973 1.00 0.00 C ATOM 1383 C PRO A 87 15.528 -4.384 -4.099 1.00 0.00 C ATOM 1384 O PRO A 87 16.647 -4.879 -4.224 1.00 0.00 O ATOM 1385 CB PRO A 87 14.518 -4.306 -6.397 1.00 0.00 C ATOM 1386 CG PRO A 87 13.876 -2.959 -6.394 1.00 0.00 C ATOM 1387 CD PRO A 87 12.752 -3.013 -5.389 1.00 0.00 C ATOM 0 HA PRO A 87 14.316 -5.907 -4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.571 -4.242 -6.671 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.041 -4.970 -7.118 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.598 -2.188 -6.125 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.497 -2.710 -7.385 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.696 -2.096 -4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.785 -3.138 -5.877 1.00 0.00 H new ATOM 1395 N VAL A 88 15.235 -3.483 -3.208 1.00 0.00 N ATOM 1396 CA VAL A 88 16.190 -2.899 -2.310 1.00 0.00 C ATOM 1397 C VAL A 88 15.970 -3.545 -0.960 1.00 0.00 C ATOM 1398 O VAL A 88 14.888 -4.089 -0.709 1.00 0.00 O ATOM 1399 CB VAL A 88 15.933 -1.359 -2.186 1.00 0.00 C ATOM 1400 CG1 VAL A 88 16.978 -0.644 -1.343 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.816 -0.707 -3.549 1.00 0.00 C ATOM 0 H VAL A 88 14.290 -3.121 -3.081 1.00 0.00 H new ATOM 0 HA VAL A 88 17.207 -3.055 -2.671 1.00 0.00 H new ATOM 0 HB VAL A 88 14.981 -1.257 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.743 0.419 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.979 -1.060 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.962 -0.778 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.638 0.361 -3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.741 -0.860 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.985 -1.153 -4.096 1.00 0.00 H new ATOM 1411 N ASP A 89 16.965 -3.490 -0.116 1.00 0.00 N ATOM 1412 CA ASP A 89 16.899 -4.048 1.227 1.00 0.00 C ATOM 1413 C ASP A 89 15.839 -3.329 2.066 1.00 0.00 C ATOM 1414 O ASP A 89 15.468 -2.180 1.766 1.00 0.00 O ATOM 1415 CB ASP A 89 18.272 -3.958 1.932 1.00 0.00 C ATOM 1416 CG ASP A 89 19.303 -4.902 1.383 1.00 0.00 C ATOM 1417 OD1 ASP A 89 20.042 -4.522 0.449 1.00 0.00 O ATOM 1418 OD2 ASP A 89 19.417 -6.037 1.879 1.00 0.00 O ATOM 0 H ASP A 89 17.860 -3.053 -0.335 1.00 0.00 H new ATOM 0 HA ASP A 89 16.621 -5.098 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.646 -2.938 1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.137 -4.161 2.994 1.00 0.00 H new ATOM 1423 N PRO A 90 15.341 -3.978 3.150 1.00 0.00 N ATOM 1424 CA PRO A 90 14.321 -3.403 4.063 1.00 0.00 C ATOM 1425 C PRO A 90 14.754 -2.079 4.716 1.00 0.00 C ATOM 1426 O PRO A 90 13.941 -1.393 5.328 1.00 0.00 O ATOM 1427 CB PRO A 90 14.153 -4.477 5.143 1.00 0.00 C ATOM 1428 CG PRO A 90 15.369 -5.329 5.021 1.00 0.00 C ATOM 1429 CD PRO A 90 15.684 -5.353 3.564 1.00 0.00 C ATOM 0 HA PRO A 90 13.409 -3.161 3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 90 14.079 -4.032 6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 90 13.245 -5.058 4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 90 16.198 -4.917 5.596 1.00 0.00 H new ATOM 0 HG3 PRO A 90 15.186 -6.334 5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 90 16.733 -5.585 3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 90 15.093 -6.098 3.032 1.00 0.00 H new ATOM 1437 N GLU A 91 16.030 -1.725 4.554 1.00 0.00 N ATOM 1438 CA GLU A 91 16.605 -0.475 5.058 1.00 0.00 C ATOM 1439 C GLU A 91 15.829 0.732 4.512 1.00 0.00 C ATOM 1440 O GLU A 91 15.776 1.800 5.137 1.00 0.00 O ATOM 1441 CB GLU A 91 18.077 -0.380 4.634 1.00 0.00 C ATOM 1442 CG GLU A 91 18.281 -0.508 3.131 1.00 0.00 C ATOM 1443 CD GLU A 91 19.713 -0.385 2.708 1.00 0.00 C ATOM 1444 OE1 GLU A 91 20.498 -1.328 2.924 1.00 0.00 O ATOM 1445 OE2 GLU A 91 20.076 0.651 2.130 1.00 0.00 O ATOM 0 H GLU A 91 16.705 -2.309 4.060 1.00 0.00 H new ATOM 0 HA GLU A 91 16.537 -0.469 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.483 0.575 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.644 -1.162 5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.895 -1.472 2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.694 0.260 2.626 1.00 0.00 H new ATOM 1452 N GLU A 92 15.202 0.528 3.357 1.00 0.00 N ATOM 1453 CA GLU A 92 14.417 1.542 2.701 1.00 0.00 C ATOM 1454 C GLU A 92 13.214 1.910 3.587 1.00 0.00 C ATOM 1455 O GLU A 92 12.812 3.046 3.624 1.00 0.00 O ATOM 1456 CB GLU A 92 13.933 1.016 1.347 1.00 0.00 C ATOM 1457 CG GLU A 92 13.285 2.050 0.424 1.00 0.00 C ATOM 1458 CD GLU A 92 14.284 2.966 -0.254 1.00 0.00 C ATOM 1459 OE1 GLU A 92 14.824 3.874 0.390 1.00 0.00 O ATOM 1460 OE2 GLU A 92 14.524 2.804 -1.475 1.00 0.00 O ATOM 0 H GLU A 92 15.232 -0.359 2.854 1.00 0.00 H new ATOM 0 HA GLU A 92 15.026 2.432 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.782 0.573 0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.215 0.215 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.704 1.531 -0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.585 2.653 1.002 1.00 0.00 H new ATOM 1467 N ILE A 93 12.701 0.931 4.364 1.00 0.00 N ATOM 1468 CA ILE A 93 11.522 1.142 5.230 1.00 0.00 C ATOM 1469 C ILE A 93 11.789 2.229 6.244 1.00 0.00 C ATOM 1470 O ILE A 93 10.956 3.082 6.466 1.00 0.00 O ATOM 1471 CB ILE A 93 11.093 -0.143 6.016 1.00 0.00 C ATOM 1472 CG1 ILE A 93 10.650 -1.253 5.072 1.00 0.00 C ATOM 1473 CG2 ILE A 93 9.972 0.167 7.023 1.00 0.00 C ATOM 1474 CD1 ILE A 93 10.228 -2.519 5.795 1.00 0.00 C ATOM 0 H ILE A 93 13.085 -0.013 4.409 1.00 0.00 H new ATOM 0 HA ILE A 93 10.715 1.423 4.553 1.00 0.00 H new ATOM 0 HB ILE A 93 11.969 -0.488 6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.819 -0.895 4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.466 -1.487 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.696 -0.745 7.553 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.321 0.911 7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.103 0.555 6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.924 -3.270 5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.065 -2.900 6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.392 -2.298 6.458 1.00 0.00 H new ATOM 1486 N GLU A 94 12.963 2.203 6.817 1.00 0.00 N ATOM 1487 CA GLU A 94 13.346 3.144 7.851 1.00 0.00 C ATOM 1488 C GLU A 94 13.408 4.568 7.282 1.00 0.00 C ATOM 1489 O GLU A 94 12.972 5.533 7.918 1.00 0.00 O ATOM 1490 CB GLU A 94 14.653 2.672 8.476 1.00 0.00 C ATOM 1491 CG GLU A 94 14.527 1.225 8.959 1.00 0.00 C ATOM 1492 CD GLU A 94 15.760 0.668 9.603 1.00 0.00 C ATOM 1493 OE1 GLU A 94 16.669 0.209 8.888 1.00 0.00 O ATOM 1494 OE2 GLU A 94 15.828 0.639 10.851 1.00 0.00 O ATOM 0 H GLU A 94 13.689 1.526 6.582 1.00 0.00 H new ATOM 0 HA GLU A 94 12.600 3.181 8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.460 2.749 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.917 3.319 9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.704 1.165 9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.261 0.595 8.110 1.00 0.00 H new ATOM 1501 N ARG A 95 13.863 4.666 6.055 1.00 0.00 N ATOM 1502 CA ARG A 95 13.924 5.932 5.340 1.00 0.00 C ATOM 1503 C ARG A 95 12.495 6.348 4.978 1.00 0.00 C ATOM 1504 O ARG A 95 12.086 7.494 5.138 1.00 0.00 O ATOM 1505 CB ARG A 95 14.728 5.730 4.074 1.00 0.00 C ATOM 1506 CG ARG A 95 14.796 6.932 3.170 1.00 0.00 C ATOM 1507 CD ARG A 95 15.377 6.528 1.853 1.00 0.00 C ATOM 1508 NE ARG A 95 15.410 7.621 0.901 1.00 0.00 N ATOM 1509 CZ ARG A 95 15.198 7.488 -0.404 1.00 0.00 C ATOM 1510 NH1 ARG A 95 14.936 6.283 -0.930 1.00 0.00 N ATOM 1511 NH2 ARG A 95 15.248 8.562 -1.187 1.00 0.00 N ATOM 0 H ARG A 95 14.204 3.870 5.517 1.00 0.00 H new ATOM 0 HA ARG A 95 14.391 6.703 5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 95 15.743 5.441 4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.298 4.898 3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.800 7.351 3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.407 7.711 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.389 6.153 2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.792 5.707 1.438 1.00 0.00 H new ATOM 0 HE ARG A 95 15.610 8.556 1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 95 14.898 5.461 -0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.774 6.188 -1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.448 9.478 -0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.087 8.470 -2.190 1.00 0.00 H new ATOM 1525 N ILE A 96 11.745 5.368 4.543 1.00 0.00 N ATOM 1526 CA ILE A 96 10.352 5.482 4.171 1.00 0.00 C ATOM 1527 C ILE A 96 9.479 5.832 5.400 1.00 0.00 C ATOM 1528 O ILE A 96 8.365 6.312 5.271 1.00 0.00 O ATOM 1529 CB ILE A 96 9.927 4.153 3.447 1.00 0.00 C ATOM 1530 CG1 ILE A 96 10.365 4.140 1.960 1.00 0.00 C ATOM 1531 CG2 ILE A 96 8.480 3.727 3.627 1.00 0.00 C ATOM 1532 CD1 ILE A 96 9.759 5.237 1.099 1.00 0.00 C ATOM 0 H ILE A 96 12.105 4.420 4.432 1.00 0.00 H new ATOM 0 HA ILE A 96 10.200 6.306 3.474 1.00 0.00 H new ATOM 0 HB ILE A 96 10.483 3.379 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 96 11.451 4.224 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 96 10.102 3.174 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.304 2.799 3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.276 3.572 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.821 4.505 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.127 5.142 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.673 5.145 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.042 6.211 1.498 1.00 0.00 H new ATOM 1544 N LEU A 97 10.022 5.617 6.581 1.00 0.00 N ATOM 1545 CA LEU A 97 9.354 5.954 7.821 1.00 0.00 C ATOM 1546 C LEU A 97 9.481 7.461 8.064 1.00 0.00 C ATOM 1547 O LEU A 97 8.628 8.079 8.693 1.00 0.00 O ATOM 1548 CB LEU A 97 9.956 5.149 8.981 1.00 0.00 C ATOM 1549 CG LEU A 97 9.325 5.344 10.361 1.00 0.00 C ATOM 1550 CD1 LEU A 97 7.855 4.935 10.361 1.00 0.00 C ATOM 1551 CD2 LEU A 97 10.096 4.556 11.404 1.00 0.00 C ATOM 0 H LEU A 97 10.945 5.201 6.708 1.00 0.00 H new ATOM 0 HA LEU A 97 8.297 5.698 7.755 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.895 4.091 8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.014 5.399 9.054 1.00 0.00 H new ATOM 0 HG LEU A 97 9.375 6.404 10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.435 5.085 11.356 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.308 5.543 9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.770 3.884 10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.638 4.702 12.382 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.075 3.497 11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.129 4.902 11.432 1.00 0.00 H new ATOM 1563 N GLU A 98 10.544 8.043 7.553 1.00 0.00 N ATOM 1564 CA GLU A 98 10.756 9.482 7.652 1.00 0.00 C ATOM 1565 C GLU A 98 9.952 10.150 6.540 1.00 0.00 C ATOM 1566 O GLU A 98 9.225 11.125 6.744 1.00 0.00 O ATOM 1567 CB GLU A 98 12.229 9.800 7.453 1.00 0.00 C ATOM 1568 CG GLU A 98 12.583 11.250 7.727 1.00 0.00 C ATOM 1569 CD GLU A 98 14.023 11.561 7.447 1.00 0.00 C ATOM 1570 OE1 GLU A 98 14.917 11.018 8.148 1.00 0.00 O ATOM 1571 OE2 GLU A 98 14.296 12.347 6.522 1.00 0.00 O ATOM 0 H GLU A 98 11.284 7.543 7.060 1.00 0.00 H new ATOM 0 HA GLU A 98 10.442 9.841 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.821 9.161 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.509 9.554 6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.952 11.895 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.362 11.482 8.769 1.00 0.00 H new ATOM 1578 N VAL A 99 10.046 9.547 5.371 1.00 0.00 N ATOM 1579 CA VAL A 99 9.369 9.992 4.155 1.00 0.00 C ATOM 1580 C VAL A 99 7.875 9.536 4.187 1.00 0.00 C ATOM 1581 O VAL A 99 7.132 9.630 3.192 1.00 0.00 O ATOM 1582 CB VAL A 99 10.134 9.405 2.905 1.00 0.00 C ATOM 1583 CG1 VAL A 99 9.537 9.841 1.567 1.00 0.00 C ATOM 1584 CG2 VAL A 99 11.599 9.808 2.949 1.00 0.00 C ATOM 0 H VAL A 99 10.610 8.709 5.230 1.00 0.00 H new ATOM 0 HA VAL A 99 9.378 11.080 4.087 1.00 0.00 H new ATOM 0 HB VAL A 99 10.030 8.322 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.112 9.401 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.502 9.505 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.571 10.928 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.116 9.397 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.678 10.895 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.056 9.421 3.860 1.00 0.00 H new ATOM 1594 N ALA A 100 7.443 9.070 5.364 1.00 0.00 N ATOM 1595 CA ALA A 100 6.081 8.602 5.601 1.00 0.00 C ATOM 1596 C ALA A 100 5.091 9.670 5.224 1.00 0.00 C ATOM 1597 O ALA A 100 4.184 9.446 4.415 1.00 0.00 O ATOM 1598 CB ALA A 100 5.902 8.224 7.062 1.00 0.00 C ATOM 0 H ALA A 100 8.041 9.008 6.188 1.00 0.00 H new ATOM 0 HA ALA A 100 5.904 7.721 4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.882 7.877 7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.602 7.429 7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.094 9.095 7.689 1.00 0.00 H new ATOM 1604 N GLU A 101 5.323 10.841 5.742 1.00 0.00 N ATOM 1605 CA GLU A 101 4.477 11.960 5.507 1.00 0.00 C ATOM 1606 C GLU A 101 5.277 13.088 4.850 1.00 0.00 C ATOM 1607 O GLU A 101 5.962 13.853 5.527 1.00 0.00 O ATOM 1608 CB GLU A 101 3.822 12.440 6.808 1.00 0.00 C ATOM 1609 CG GLU A 101 2.840 11.451 7.422 1.00 0.00 C ATOM 1610 CD GLU A 101 2.222 11.972 8.694 1.00 0.00 C ATOM 1611 OE1 GLU A 101 1.215 12.699 8.631 1.00 0.00 O ATOM 1612 OE2 GLU A 101 2.737 11.667 9.789 1.00 0.00 O ATOM 0 H GLU A 101 6.119 11.042 6.348 1.00 0.00 H new ATOM 0 HA GLU A 101 3.678 11.656 4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.604 12.656 7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.301 13.377 6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.052 11.231 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.355 10.513 7.629 1.00 0.00 H new ATOM 1619 N PRO A 102 5.280 13.135 3.521 1.00 0.00 N ATOM 1620 CA PRO A 102 5.954 14.169 2.750 1.00 0.00 C ATOM 1621 C PRO A 102 5.089 15.417 2.645 1.00 0.00 C ATOM 1622 O PRO A 102 4.010 15.366 2.020 1.00 0.00 O ATOM 1623 CB PRO A 102 6.147 13.516 1.364 1.00 0.00 C ATOM 1624 CG PRO A 102 5.694 12.105 1.551 1.00 0.00 C ATOM 1625 CD PRO A 102 4.677 12.166 2.634 1.00 0.00 C ATOM 1626 OXT PRO A 102 5.480 16.470 3.176 1.00 0.00 O ATOM 0 HA PRO A 102 6.892 14.493 3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.559 14.024 0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 102 7.189 13.560 1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 102 5.268 11.703 0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 102 6.526 11.457 1.827 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.703 12.491 2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 102 4.530 11.200 3.117 1.00 0.00 H new