USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 603 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 40:sc= 0.409 USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= 0.156 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 62:sc= 0.358 USER MOD Single : A 24 SER OG : rot 180:sc= -0.289 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 30 ASN : amide:sc= -2.45! C(o=-2.5!,f=-8.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -123:sc= -3.45! (180deg=-7.71!) USER MOD Single : A 48 MET CE :methyl 168:sc= -3.73! (180deg=-4.21!) USER MOD Single : A 52 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.051) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 154:sc= -0.978 (180deg=-2.7!) USER MOD Single : A 62 MET CE :methyl -122:sc= -0.854 (180deg=-4.2!) USER MOD Single : A 66 THR OG1 : rot 104:sc= 0.801 USER MOD Single : A 69 SER OG : rot 93:sc= 0.147 USER MOD Single : A 70 MET CE :methyl 156:sc= -0.313 (180deg=-1.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.937 20.164 -9.338 1.00 0.00 N ATOM 2 CA MET A 1 1.179 19.344 -8.352 1.00 0.00 C ATOM 3 C MET A 1 -0.316 19.650 -8.475 1.00 0.00 C ATOM 4 O MET A 1 -0.801 20.644 -7.972 1.00 0.00 O ATOM 5 CB MET A 1 1.653 19.682 -6.936 1.00 0.00 C ATOM 6 CG MET A 1 2.758 18.709 -6.521 1.00 0.00 C ATOM 7 SD MET A 1 3.269 19.066 -4.822 1.00 0.00 S ATOM 8 CE MET A 1 4.612 17.857 -4.731 1.00 0.00 C ATOM 0 H1 MET A 1 2.953 19.956 -9.255 1.00 0.00 H new ATOM 0 H2 MET A 1 1.615 19.936 -10.300 1.00 0.00 H new ATOM 0 H3 MET A 1 1.774 21.173 -9.149 1.00 0.00 H new ATOM 0 HA MET A 1 1.351 18.286 -8.551 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.024 20.706 -6.900 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.819 19.620 -6.237 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.400 17.682 -6.596 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.610 18.800 -7.195 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.078 17.905 -3.747 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.212 16.856 -4.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.355 18.081 -5.496 1.00 0.00 H new ATOM 20 N THR A 2 -1.052 18.803 -9.142 1.00 0.00 N ATOM 21 CA THR A 2 -2.514 19.047 -9.298 1.00 0.00 C ATOM 22 C THR A 2 -3.220 18.784 -7.964 1.00 0.00 C ATOM 23 O THR A 2 -2.621 18.322 -7.013 1.00 0.00 O ATOM 24 CB THR A 2 -3.077 18.107 -10.367 1.00 0.00 C ATOM 25 OG1 THR A 2 -2.083 17.867 -11.352 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.303 18.749 -11.019 1.00 0.00 C ATOM 0 H THR A 2 -0.704 17.953 -9.585 1.00 0.00 H new ATOM 0 HA THR A 2 -2.680 20.081 -9.600 1.00 0.00 H new ATOM 0 HB THR A 2 -3.368 17.163 -9.907 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.440 17.264 -12.037 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.703 18.079 -11.780 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.064 18.933 -10.261 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.016 19.693 -11.482 1.00 0.00 H new ATOM 34 N PHE A 3 -4.490 19.076 -7.887 1.00 0.00 N ATOM 35 CA PHE A 3 -5.235 18.845 -6.617 1.00 0.00 C ATOM 36 C PHE A 3 -6.067 17.567 -6.738 1.00 0.00 C ATOM 37 O PHE A 3 -6.724 17.335 -7.733 1.00 0.00 O ATOM 38 CB PHE A 3 -6.158 20.034 -6.343 1.00 0.00 C ATOM 39 CG PHE A 3 -5.367 21.318 -6.430 1.00 0.00 C ATOM 40 CD1 PHE A 3 -4.396 21.611 -5.464 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.607 22.219 -7.475 1.00 0.00 C ATOM 42 CE1 PHE A 3 -3.665 22.802 -5.544 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.876 23.410 -7.555 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.905 23.702 -6.590 1.00 0.00 C ATOM 0 H PHE A 3 -5.044 19.465 -8.650 1.00 0.00 H new ATOM 0 HA PHE A 3 -4.527 18.739 -5.795 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -6.974 20.048 -7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -6.608 19.938 -5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -4.211 20.918 -4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.357 21.995 -8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.916 23.027 -4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -5.061 24.104 -8.362 1.00 0.00 H new ATOM 0 HZ PHE A 3 -3.341 24.621 -6.652 1.00 0.00 H new ATOM 54 N ILE A 4 -6.043 16.733 -5.734 1.00 0.00 N ATOM 55 CA ILE A 4 -6.831 15.470 -5.794 1.00 0.00 C ATOM 56 C ILE A 4 -7.867 15.458 -4.666 1.00 0.00 C ATOM 57 O ILE A 4 -7.635 15.974 -3.591 1.00 0.00 O ATOM 58 CB ILE A 4 -5.891 14.274 -5.632 1.00 0.00 C ATOM 59 CG1 ILE A 4 -4.731 14.401 -6.621 1.00 0.00 C ATOM 60 CG2 ILE A 4 -6.658 12.981 -5.912 1.00 0.00 C ATOM 61 CD1 ILE A 4 -3.556 13.544 -6.143 1.00 0.00 C ATOM 0 H ILE A 4 -5.511 16.872 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.340 15.407 -6.756 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.502 14.253 -4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.049 14.081 -7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.424 15.443 -6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.989 12.129 -5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.486 12.890 -5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.047 13.002 -6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.729 13.634 -6.848 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.233 13.885 -5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.868 12.501 -6.081 1.00 0.00 H new ATOM 73 N THR A 5 -9.008 14.870 -4.903 1.00 0.00 N ATOM 74 CA THR A 5 -10.057 14.823 -3.846 1.00 0.00 C ATOM 75 C THR A 5 -10.560 13.385 -3.694 1.00 0.00 C ATOM 76 O THR A 5 -10.543 12.609 -4.629 1.00 0.00 O ATOM 77 CB THR A 5 -11.223 15.733 -4.242 1.00 0.00 C ATOM 78 OG1 THR A 5 -12.073 15.043 -5.147 1.00 0.00 O ATOM 79 CG2 THR A 5 -10.681 16.997 -4.910 1.00 0.00 C ATOM 0 H THR A 5 -9.259 14.420 -5.783 1.00 0.00 H new ATOM 0 HA THR A 5 -9.637 15.164 -2.900 1.00 0.00 H new ATOM 0 HB THR A 5 -11.788 16.010 -3.352 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.821 15.623 -5.400 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.511 17.644 -5.192 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.029 17.525 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.116 16.724 -5.801 1.00 0.00 H new ATOM 87 N LYS A 6 -11.006 13.022 -2.523 1.00 0.00 N ATOM 88 CA LYS A 6 -11.505 11.633 -2.317 1.00 0.00 C ATOM 89 C LYS A 6 -10.320 10.667 -2.326 1.00 0.00 C ATOM 90 O LYS A 6 -9.752 10.378 -3.360 1.00 0.00 O ATOM 91 CB LYS A 6 -12.472 11.268 -3.444 1.00 0.00 C ATOM 92 CG LYS A 6 -13.454 10.205 -2.951 1.00 0.00 C ATOM 93 CD LYS A 6 -14.452 9.875 -4.064 1.00 0.00 C ATOM 94 CE LYS A 6 -13.727 9.147 -5.197 1.00 0.00 C ATOM 95 NZ LYS A 6 -14.576 9.163 -6.422 1.00 0.00 N ATOM 0 H LYS A 6 -11.047 13.625 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.023 11.566 -1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.014 12.154 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.918 10.895 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.914 9.306 -2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.983 10.565 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.257 9.252 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.911 10.790 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.770 9.628 -5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.512 8.119 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.083 8.668 -7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.479 8.685 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.760 10.147 -6.704 1.00 0.00 H new ATOM 109 N THR A 7 -9.937 10.168 -1.183 1.00 0.00 N ATOM 110 CA THR A 7 -8.784 9.226 -1.134 1.00 0.00 C ATOM 111 C THR A 7 -9.130 8.034 -0.229 1.00 0.00 C ATOM 112 O THR A 7 -9.379 8.210 0.946 1.00 0.00 O ATOM 113 CB THR A 7 -7.561 9.953 -0.565 1.00 0.00 C ATOM 114 OG1 THR A 7 -7.922 10.602 0.646 1.00 0.00 O ATOM 115 CG2 THR A 7 -7.069 10.991 -1.574 1.00 0.00 C ATOM 0 H THR A 7 -10.372 10.371 -0.283 1.00 0.00 H new ATOM 0 HA THR A 7 -8.566 8.867 -2.140 1.00 0.00 H new ATOM 0 HB THR A 7 -6.766 9.233 -0.370 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.518 10.021 1.164 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.199 11.508 -1.169 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.795 10.493 -2.504 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.862 11.713 -1.769 1.00 0.00 H new ATOM 123 N PRO A 8 -9.126 6.853 -0.800 1.00 0.00 N ATOM 124 CA PRO A 8 -9.427 5.615 -0.057 1.00 0.00 C ATOM 125 C PRO A 8 -8.231 5.223 0.820 1.00 0.00 C ATOM 126 O PRO A 8 -7.196 5.859 0.773 1.00 0.00 O ATOM 127 CB PRO A 8 -9.672 4.583 -1.162 1.00 0.00 C ATOM 128 CG PRO A 8 -8.970 5.122 -2.428 1.00 0.00 C ATOM 129 CD PRO A 8 -8.823 6.642 -2.232 1.00 0.00 C ATOM 0 HA PRO A 8 -10.278 5.708 0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.270 3.610 -0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.739 4.448 -1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.996 4.652 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.555 4.901 -3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.817 6.980 -2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.512 7.195 -2.871 1.00 0.00 H new ATOM 137 N PRO A 9 -8.408 4.188 1.600 1.00 0.00 N ATOM 138 CA PRO A 9 -7.355 3.693 2.504 1.00 0.00 C ATOM 139 C PRO A 9 -6.298 2.914 1.715 1.00 0.00 C ATOM 140 O PRO A 9 -6.602 2.243 0.749 1.00 0.00 O ATOM 141 CB PRO A 9 -8.113 2.779 3.471 1.00 0.00 C ATOM 142 CG PRO A 9 -9.415 2.361 2.746 1.00 0.00 C ATOM 143 CD PRO A 9 -9.667 3.415 1.651 1.00 0.00 C ATOM 0 HA PRO A 9 -6.817 4.489 3.019 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.515 1.905 3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.337 3.299 4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.314 1.367 2.311 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.251 2.320 3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.887 2.948 0.691 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.516 4.052 1.898 1.00 0.00 H new ATOM 151 N ALA A 10 -5.058 3.003 2.115 1.00 0.00 N ATOM 152 CA ALA A 10 -3.984 2.272 1.383 1.00 0.00 C ATOM 153 C ALA A 10 -4.201 0.765 1.526 1.00 0.00 C ATOM 154 O ALA A 10 -3.822 -0.011 0.673 1.00 0.00 O ATOM 155 CB ALA A 10 -2.619 2.647 1.967 1.00 0.00 C ATOM 0 H ALA A 10 -4.743 3.550 2.916 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.016 2.545 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.835 2.112 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.462 3.721 1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.588 2.375 3.022 1.00 0.00 H new ATOM 161 N ALA A 11 -4.814 0.344 2.597 1.00 0.00 N ATOM 162 CA ALA A 11 -5.056 -1.113 2.796 1.00 0.00 C ATOM 163 C ALA A 11 -5.986 -1.649 1.699 1.00 0.00 C ATOM 164 O ALA A 11 -6.204 -2.839 1.588 1.00 0.00 O ATOM 165 CB ALA A 11 -5.704 -1.335 4.164 1.00 0.00 C ATOM 0 H ALA A 11 -5.158 0.947 3.344 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.105 -1.643 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.883 -2.400 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.040 -0.965 4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.652 -0.798 4.209 1.00 0.00 H new ATOM 171 N VAL A 12 -6.544 -0.784 0.895 1.00 0.00 N ATOM 172 CA VAL A 12 -7.463 -1.250 -0.181 1.00 0.00 C ATOM 173 C VAL A 12 -6.780 -1.115 -1.547 1.00 0.00 C ATOM 174 O VAL A 12 -7.053 -1.861 -2.466 1.00 0.00 O ATOM 175 CB VAL A 12 -8.738 -0.397 -0.143 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.523 0.914 -0.904 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.894 -1.171 -0.779 1.00 0.00 C ATOM 0 H VAL A 12 -6.402 0.225 0.938 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.717 -2.298 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.977 -0.169 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.436 1.509 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.708 1.472 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.272 0.695 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.798 -0.563 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.648 -1.407 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.061 -2.095 -0.226 1.00 0.00 H new ATOM 187 N LEU A 13 -5.904 -0.159 -1.688 1.00 0.00 N ATOM 188 CA LEU A 13 -5.211 0.037 -2.994 1.00 0.00 C ATOM 189 C LEU A 13 -4.053 -0.951 -3.124 1.00 0.00 C ATOM 190 O LEU A 13 -3.916 -1.631 -4.121 1.00 0.00 O ATOM 191 CB LEU A 13 -4.665 1.464 -3.066 1.00 0.00 C ATOM 192 CG LEU A 13 -5.735 2.397 -3.634 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.359 3.848 -3.327 1.00 0.00 C ATOM 194 CD2 LEU A 13 -5.824 2.206 -5.150 1.00 0.00 C ATOM 0 H LEU A 13 -5.637 0.497 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.920 -0.132 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.366 1.800 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.774 1.492 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.698 2.165 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.121 4.515 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.292 3.986 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.396 4.079 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.586 2.871 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.861 2.439 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.088 1.172 -5.372 1.00 0.00 H new ATOM 206 N LEU A 14 -3.215 -1.034 -2.128 1.00 0.00 N ATOM 207 CA LEU A 14 -2.065 -1.978 -2.210 1.00 0.00 C ATOM 208 C LEU A 14 -2.585 -3.368 -2.571 1.00 0.00 C ATOM 209 O LEU A 14 -2.229 -3.930 -3.587 1.00 0.00 O ATOM 210 CB LEU A 14 -1.339 -2.023 -0.863 1.00 0.00 C ATOM 211 CG LEU A 14 -0.984 -0.600 -0.412 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.132 -0.656 0.625 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.506 0.229 -1.608 1.00 0.00 C ATOM 0 H LEU A 14 -3.276 -0.493 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.366 -1.643 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.971 -2.504 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.433 -2.623 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.872 -0.138 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.383 0.355 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.200 -1.236 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.012 -1.127 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.257 1.237 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.377 -0.238 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.297 0.279 -2.356 1.00 0.00 H new ATOM 225 N LYS A 15 -3.431 -3.926 -1.753 1.00 0.00 N ATOM 226 CA LYS A 15 -3.979 -5.276 -2.062 1.00 0.00 C ATOM 227 C LYS A 15 -4.525 -5.281 -3.493 1.00 0.00 C ATOM 228 O LYS A 15 -4.546 -6.298 -4.158 1.00 0.00 O ATOM 229 CB LYS A 15 -5.114 -5.600 -1.088 1.00 0.00 C ATOM 230 CG LYS A 15 -4.528 -6.075 0.241 1.00 0.00 C ATOM 231 CD LYS A 15 -5.213 -7.376 0.667 1.00 0.00 C ATOM 232 CE LYS A 15 -6.227 -7.081 1.774 1.00 0.00 C ATOM 233 NZ LYS A 15 -5.711 -7.597 3.073 1.00 0.00 N ATOM 0 H LYS A 15 -3.767 -3.508 -0.885 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.191 -6.022 -1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.734 -4.717 -0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.759 -6.371 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.454 -6.233 0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.668 -5.311 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.714 -7.832 -0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.470 -8.091 1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.405 -6.008 1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.183 -7.548 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.510 -7.870 3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.107 -8.426 2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.155 -6.855 3.545 1.00 0.00 H new ATOM 247 N LYS A 16 -4.972 -4.149 -3.969 1.00 0.00 N ATOM 248 CA LYS A 16 -5.523 -4.082 -5.354 1.00 0.00 C ATOM 249 C LYS A 16 -4.404 -4.319 -6.371 1.00 0.00 C ATOM 250 O LYS A 16 -4.587 -4.994 -7.364 1.00 0.00 O ATOM 251 CB LYS A 16 -6.136 -2.700 -5.592 1.00 0.00 C ATOM 252 CG LYS A 16 -7.438 -2.848 -6.383 1.00 0.00 C ATOM 253 CD LYS A 16 -7.735 -1.542 -7.124 1.00 0.00 C ATOM 254 CE LYS A 16 -8.799 -1.792 -8.194 1.00 0.00 C ATOM 255 NZ LYS A 16 -9.140 -0.505 -8.864 1.00 0.00 N ATOM 0 H LYS A 16 -4.979 -3.267 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.287 -4.850 -5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.331 -2.208 -4.639 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.435 -2.069 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.353 -3.671 -7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.260 -3.092 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.082 -0.784 -6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.825 -1.158 -7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.431 -2.510 -8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.690 -2.226 -7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.863 -0.674 -9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.507 0.166 -8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.287 -0.109 -9.309 1.00 0.00 H new ATOM 269 N ALA A 17 -3.247 -3.763 -6.136 1.00 0.00 N ATOM 270 CA ALA A 17 -2.119 -3.953 -7.091 1.00 0.00 C ATOM 271 C ALA A 17 -1.803 -5.444 -7.226 1.00 0.00 C ATOM 272 O ALA A 17 -1.539 -5.937 -8.304 1.00 0.00 O ATOM 273 CB ALA A 17 -0.884 -3.215 -6.572 1.00 0.00 C ATOM 0 H ALA A 17 -3.034 -3.185 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.400 -3.555 -8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.058 -3.353 -7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.107 -2.152 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.605 -3.613 -5.596 1.00 0.00 H new ATOM 279 N ALA A 18 -1.824 -6.166 -6.139 1.00 0.00 N ATOM 280 CA ALA A 18 -1.523 -7.624 -6.208 1.00 0.00 C ATOM 281 C ALA A 18 -2.707 -8.362 -6.834 1.00 0.00 C ATOM 282 O ALA A 18 -2.594 -9.500 -7.244 1.00 0.00 O ATOM 283 CB ALA A 18 -1.276 -8.159 -4.796 1.00 0.00 C ATOM 0 H ALA A 18 -2.036 -5.810 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.634 -7.783 -6.819 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.056 -9.225 -4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.431 -7.634 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.165 -8.000 -4.186 1.00 0.00 H new ATOM 289 N GLY A 19 -3.842 -7.725 -6.910 1.00 0.00 N ATOM 290 CA GLY A 19 -5.033 -8.393 -7.509 1.00 0.00 C ATOM 291 C GLY A 19 -5.520 -9.497 -6.572 1.00 0.00 C ATOM 292 O GLY A 19 -5.758 -10.615 -6.983 1.00 0.00 O ATOM 0 H GLY A 19 -3.997 -6.771 -6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.827 -7.665 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.777 -8.813 -8.482 1.00 0.00 H new ATOM 296 N ILE A 20 -5.669 -9.193 -5.311 1.00 0.00 N ATOM 297 CA ILE A 20 -6.140 -10.228 -4.347 1.00 0.00 C ATOM 298 C ILE A 20 -7.610 -9.970 -4.007 1.00 0.00 C ATOM 299 O ILE A 20 -7.978 -8.892 -3.585 1.00 0.00 O ATOM 300 CB ILE A 20 -5.305 -10.164 -3.064 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.921 -9.579 -3.371 1.00 0.00 C ATOM 302 CG2 ILE A 20 -5.140 -11.574 -2.494 1.00 0.00 C ATOM 303 CD1 ILE A 20 -3.136 -9.417 -2.069 1.00 0.00 C ATOM 0 H ILE A 20 -5.485 -8.274 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.032 -11.215 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.813 -9.529 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.381 -10.234 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.024 -8.615 -3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.546 -11.530 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.121 -11.993 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.635 -12.205 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.152 -9.001 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.674 -8.745 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.021 -10.389 -1.590 1.00 0.00 H new ATOM 315 N GLU A 21 -8.452 -10.951 -4.185 1.00 0.00 N ATOM 316 CA GLU A 21 -9.897 -10.757 -3.869 1.00 0.00 C ATOM 317 C GLU A 21 -10.354 -11.843 -2.892 1.00 0.00 C ATOM 318 O GLU A 21 -10.975 -11.564 -1.886 1.00 0.00 O ATOM 319 CB GLU A 21 -10.721 -10.849 -5.157 1.00 0.00 C ATOM 320 CG GLU A 21 -9.891 -10.342 -6.338 1.00 0.00 C ATOM 321 CD GLU A 21 -9.444 -8.904 -6.069 1.00 0.00 C ATOM 322 OE1 GLU A 21 -10.295 -8.089 -5.751 1.00 0.00 O ATOM 323 OE2 GLU A 21 -8.259 -8.642 -6.183 1.00 0.00 O ATOM 0 H GLU A 21 -8.203 -11.876 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.041 -9.776 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.027 -11.881 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.632 -10.258 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.022 -10.982 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.479 -10.386 -7.255 1.00 0.00 H new ATOM 330 N SER A 22 -10.052 -13.080 -3.180 1.00 0.00 N ATOM 331 CA SER A 22 -10.470 -14.180 -2.268 1.00 0.00 C ATOM 332 C SER A 22 -10.034 -15.525 -2.854 1.00 0.00 C ATOM 333 O SER A 22 -9.715 -16.451 -2.134 1.00 0.00 O ATOM 334 CB SER A 22 -11.989 -14.161 -2.109 1.00 0.00 C ATOM 335 OG SER A 22 -12.318 -13.764 -0.785 1.00 0.00 O ATOM 0 H SER A 22 -9.534 -13.375 -4.008 1.00 0.00 H new ATOM 0 HA SER A 22 -10.001 -14.041 -1.294 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.433 -13.473 -2.828 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.400 -15.149 -2.318 1.00 0.00 H new ATOM 0 HG SER A 22 -11.991 -12.854 -0.626 1.00 0.00 H new ATOM 341 N GLY A 23 -10.017 -15.641 -4.154 1.00 0.00 N ATOM 342 CA GLY A 23 -9.603 -16.928 -4.780 1.00 0.00 C ATOM 343 C GLY A 23 -9.318 -16.709 -6.267 1.00 0.00 C ATOM 344 O GLY A 23 -10.197 -16.817 -7.099 1.00 0.00 O ATOM 0 H GLY A 23 -10.272 -14.901 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.714 -17.316 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.389 -17.673 -4.656 1.00 0.00 H new ATOM 348 N SER A 24 -8.097 -16.400 -6.610 1.00 0.00 N ATOM 349 CA SER A 24 -7.758 -16.176 -8.044 1.00 0.00 C ATOM 350 C SER A 24 -6.263 -16.420 -8.258 1.00 0.00 C ATOM 351 O SER A 24 -5.442 -16.062 -7.437 1.00 0.00 O ATOM 352 CB SER A 24 -8.101 -14.735 -8.428 1.00 0.00 C ATOM 353 OG SER A 24 -8.827 -14.128 -7.368 1.00 0.00 O ATOM 0 H SER A 24 -7.319 -16.293 -5.959 1.00 0.00 H new ATOM 0 HA SER A 24 -8.330 -16.864 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.189 -14.173 -8.628 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.692 -14.721 -9.344 1.00 0.00 H new ATOM 0 HG SER A 24 -9.047 -13.204 -7.609 1.00 0.00 H new ATOM 359 N GLY A 25 -5.900 -17.030 -9.354 1.00 0.00 N ATOM 360 CA GLY A 25 -4.457 -17.297 -9.615 1.00 0.00 C ATOM 361 C GLY A 25 -3.885 -18.154 -8.483 1.00 0.00 C ATOM 362 O GLY A 25 -2.706 -18.110 -8.193 1.00 0.00 O ATOM 0 H GLY A 25 -6.540 -17.355 -10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.338 -17.809 -10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.909 -16.357 -9.687 1.00 0.00 H new ATOM 366 N GLU A 26 -4.713 -18.932 -7.841 1.00 0.00 N ATOM 367 CA GLU A 26 -4.220 -19.791 -6.728 1.00 0.00 C ATOM 368 C GLU A 26 -3.092 -20.696 -7.241 1.00 0.00 C ATOM 369 O GLU A 26 -3.288 -21.447 -8.177 1.00 0.00 O ATOM 370 CB GLU A 26 -5.371 -20.659 -6.211 1.00 0.00 C ATOM 371 CG GLU A 26 -6.147 -19.894 -5.137 1.00 0.00 C ATOM 372 CD GLU A 26 -7.425 -19.313 -5.745 1.00 0.00 C ATOM 373 OE1 GLU A 26 -7.344 -18.760 -6.829 1.00 0.00 O ATOM 374 OE2 GLU A 26 -8.463 -19.431 -5.115 1.00 0.00 O ATOM 0 H GLU A 26 -5.710 -19.010 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.843 -19.162 -5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.035 -20.927 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.981 -21.590 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.395 -20.559 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.530 -19.094 -4.728 1.00 0.00 H new ATOM 381 N PRO A 27 -1.943 -20.604 -6.616 1.00 0.00 N ATOM 382 CA PRO A 27 -0.770 -21.412 -6.994 1.00 0.00 C ATOM 383 C PRO A 27 -0.908 -22.833 -6.444 1.00 0.00 C ATOM 384 O PRO A 27 -1.095 -23.782 -7.178 1.00 0.00 O ATOM 385 CB PRO A 27 0.399 -20.682 -6.329 1.00 0.00 C ATOM 386 CG PRO A 27 -0.205 -19.857 -5.168 1.00 0.00 C ATOM 387 CD PRO A 27 -1.704 -19.690 -5.480 1.00 0.00 C ATOM 0 HA PRO A 27 -0.645 -21.511 -8.072 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.139 -21.391 -5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.908 -20.034 -7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.062 -20.367 -4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.284 -18.886 -5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.321 -19.953 -4.621 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.944 -18.659 -5.741 1.00 0.00 H new ATOM 395 N ASN A 28 -0.820 -22.979 -5.153 1.00 0.00 N ATOM 396 CA ASN A 28 -0.947 -24.331 -4.540 1.00 0.00 C ATOM 397 C ASN A 28 -1.223 -24.179 -3.044 1.00 0.00 C ATOM 398 O ASN A 28 -2.144 -24.764 -2.509 1.00 0.00 O ATOM 399 CB ASN A 28 0.354 -25.109 -4.744 1.00 0.00 C ATOM 400 CG ASN A 28 0.065 -26.609 -4.684 1.00 0.00 C ATOM 401 OD1 ASN A 28 0.319 -27.249 -3.683 1.00 0.00 O ATOM 402 ND2 ASN A 28 -0.460 -27.202 -5.720 1.00 0.00 N ATOM 0 H ASN A 28 -0.665 -22.218 -4.492 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.767 -24.872 -5.011 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.797 -24.851 -5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.078 -24.836 -3.976 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.657 -28.202 -5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.674 -26.665 -6.561 1.00 0.00 H new ATOM 409 N ARG A 29 -0.436 -23.392 -2.372 1.00 0.00 N ATOM 410 CA ARG A 29 -0.647 -23.188 -0.912 1.00 0.00 C ATOM 411 C ARG A 29 0.198 -22.005 -0.440 1.00 0.00 C ATOM 412 O ARG A 29 0.726 -21.252 -1.236 1.00 0.00 O ATOM 413 CB ARG A 29 -0.235 -24.450 -0.149 1.00 0.00 C ATOM 414 CG ARG A 29 1.175 -24.867 -0.570 1.00 0.00 C ATOM 415 CD ARG A 29 1.705 -25.923 0.401 1.00 0.00 C ATOM 416 NE ARG A 29 1.193 -27.263 0.005 1.00 0.00 N ATOM 417 CZ ARG A 29 2.029 -28.223 -0.278 1.00 0.00 C ATOM 418 NH1 ARG A 29 2.655 -28.227 -1.423 1.00 0.00 N ATOM 419 NH2 ARG A 29 2.241 -29.179 0.584 1.00 0.00 N ATOM 0 H ARG A 29 0.349 -22.878 -2.771 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.701 -22.983 -0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.265 -24.264 0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.940 -25.256 -0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.160 -25.265 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.835 -24.000 -0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.795 -25.922 0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.391 -25.688 1.418 1.00 0.00 H new ATOM 0 HE ARG A 29 0.188 -27.431 -0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.490 -27.479 -2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.309 -28.978 -1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.753 -29.176 1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.895 -29.930 0.362 1.00 0.00 H new ATOM 433 N ASN A 30 0.333 -21.831 0.846 1.00 0.00 N ATOM 434 CA ASN A 30 1.144 -20.692 1.358 1.00 0.00 C ATOM 435 C ASN A 30 0.655 -19.394 0.714 1.00 0.00 C ATOM 436 O ASN A 30 -0.238 -18.740 1.214 1.00 0.00 O ATOM 437 CB ASN A 30 2.616 -20.915 1.005 1.00 0.00 C ATOM 438 CG ASN A 30 3.424 -19.669 1.372 1.00 0.00 C ATOM 439 OD1 ASN A 30 3.381 -18.675 0.676 1.00 0.00 O ATOM 440 ND2 ASN A 30 4.168 -19.682 2.445 1.00 0.00 N ATOM 0 H ASN A 30 -0.082 -22.427 1.562 1.00 0.00 H new ATOM 0 HA ASN A 30 1.038 -20.625 2.441 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.002 -21.782 1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.718 -21.127 -0.059 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.713 -18.857 2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.205 -20.517 3.030 1.00 0.00 H new ATOM 447 N LYS A 31 1.230 -19.018 -0.397 1.00 0.00 N ATOM 448 CA LYS A 31 0.795 -17.764 -1.074 1.00 0.00 C ATOM 449 C LYS A 31 0.841 -16.604 -0.080 1.00 0.00 C ATOM 450 O LYS A 31 -0.079 -16.392 0.686 1.00 0.00 O ATOM 451 CB LYS A 31 -0.635 -17.942 -1.593 1.00 0.00 C ATOM 452 CG LYS A 31 -1.210 -16.583 -2.001 1.00 0.00 C ATOM 453 CD LYS A 31 -2.694 -16.740 -2.340 1.00 0.00 C ATOM 454 CE LYS A 31 -3.013 -15.964 -3.620 1.00 0.00 C ATOM 455 NZ LYS A 31 -3.907 -14.816 -3.296 1.00 0.00 N ATOM 0 H LYS A 31 1.982 -19.525 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 31 1.462 -17.547 -1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.641 -18.621 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.258 -18.394 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.085 -15.865 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.669 -16.190 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.938 -17.794 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.306 -16.371 -1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.092 -15.603 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.494 -16.620 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.124 -14.289 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.790 -15.171 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.432 -14.186 -2.619 1.00 0.00 H new ATOM 469 N VAL A 32 1.906 -15.848 -0.082 1.00 0.00 N ATOM 470 CA VAL A 32 2.005 -14.702 0.866 1.00 0.00 C ATOM 471 C VAL A 32 1.846 -13.390 0.100 1.00 0.00 C ATOM 472 O VAL A 32 2.290 -12.346 0.535 1.00 0.00 O ATOM 473 CB VAL A 32 3.366 -14.730 1.566 1.00 0.00 C ATOM 474 CG1 VAL A 32 4.457 -14.298 0.586 1.00 0.00 C ATOM 475 CG2 VAL A 32 3.341 -13.771 2.757 1.00 0.00 C ATOM 0 H VAL A 32 2.709 -15.974 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 32 1.215 -14.781 1.613 1.00 0.00 H new ATOM 0 HB VAL A 32 3.575 -15.741 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.425 -14.319 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.473 -14.980 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.252 -13.287 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.309 -13.788 3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.132 -12.760 2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.564 -14.080 3.457 1.00 0.00 H new ATOM 485 N ALA A 33 1.204 -13.445 -1.032 1.00 0.00 N ATOM 486 CA ALA A 33 0.987 -12.214 -1.851 1.00 0.00 C ATOM 487 C ALA A 33 2.219 -11.307 -1.790 1.00 0.00 C ATOM 488 O ALA A 33 2.369 -10.508 -0.887 1.00 0.00 O ATOM 489 CB ALA A 33 -0.226 -11.454 -1.314 1.00 0.00 C ATOM 0 H ALA A 33 0.815 -14.299 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 33 0.814 -12.507 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.386 -10.556 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.109 -12.090 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.049 -11.174 -0.276 1.00 0.00 H new ATOM 495 N THR A 34 3.096 -11.414 -2.748 1.00 0.00 N ATOM 496 CA THR A 34 4.309 -10.548 -2.743 1.00 0.00 C ATOM 497 C THR A 34 4.036 -9.294 -3.578 1.00 0.00 C ATOM 498 O THR A 34 3.540 -9.369 -4.685 1.00 0.00 O ATOM 499 CB THR A 34 5.491 -11.317 -3.340 1.00 0.00 C ATOM 500 OG1 THR A 34 5.008 -12.461 -4.030 1.00 0.00 O ATOM 501 CG2 THR A 34 6.434 -11.752 -2.218 1.00 0.00 C ATOM 0 H THR A 34 3.027 -12.062 -3.533 1.00 0.00 H new ATOM 0 HA THR A 34 4.549 -10.260 -1.720 1.00 0.00 H new ATOM 0 HB THR A 34 6.031 -10.676 -4.036 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.763 -12.954 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.276 -12.300 -2.642 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.802 -10.872 -1.691 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.897 -12.395 -1.520 1.00 0.00 H new ATOM 509 N ILE A 35 4.352 -8.141 -3.054 1.00 0.00 N ATOM 510 CA ILE A 35 4.108 -6.882 -3.813 1.00 0.00 C ATOM 511 C ILE A 35 5.446 -6.276 -4.241 1.00 0.00 C ATOM 512 O ILE A 35 6.230 -5.842 -3.422 1.00 0.00 O ATOM 513 CB ILE A 35 3.368 -5.883 -2.922 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.011 -6.467 -2.510 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.154 -4.575 -3.688 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.026 -6.365 -3.677 1.00 0.00 C ATOM 0 H ILE A 35 4.769 -8.017 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 35 3.506 -7.104 -4.694 1.00 0.00 H new ATOM 0 HB ILE A 35 3.961 -5.686 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.129 -7.509 -2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.621 -5.930 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.627 -3.863 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.120 -4.159 -3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.563 -4.770 -4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.064 -6.781 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.898 -5.319 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.414 -6.922 -4.530 1.00 0.00 H new ATOM 528 N LYS A 36 5.713 -6.238 -5.517 1.00 0.00 N ATOM 529 CA LYS A 36 7.000 -5.653 -5.986 1.00 0.00 C ATOM 530 C LYS A 36 7.118 -4.218 -5.466 1.00 0.00 C ATOM 531 O LYS A 36 6.130 -3.540 -5.264 1.00 0.00 O ATOM 532 CB LYS A 36 7.032 -5.648 -7.517 1.00 0.00 C ATOM 533 CG LYS A 36 7.595 -6.979 -8.022 1.00 0.00 C ATOM 534 CD LYS A 36 9.054 -6.790 -8.444 1.00 0.00 C ATOM 535 CE LYS A 36 9.465 -7.922 -9.387 1.00 0.00 C ATOM 536 NZ LYS A 36 10.401 -8.842 -8.680 1.00 0.00 N ATOM 0 H LYS A 36 5.098 -6.585 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 36 7.832 -6.248 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.028 -5.493 -7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.646 -4.822 -7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.527 -7.735 -7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.005 -7.339 -8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.178 -5.827 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.699 -6.782 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.584 -8.469 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.943 -7.513 -10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.681 -9.612 -9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.247 -8.315 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.929 -9.242 -7.844 1.00 0.00 H new ATOM 550 N ARG A 37 8.316 -3.746 -5.251 1.00 0.00 N ATOM 551 CA ARG A 37 8.486 -2.355 -4.752 1.00 0.00 C ATOM 552 C ARG A 37 8.173 -1.389 -5.886 1.00 0.00 C ATOM 553 O ARG A 37 7.716 -0.283 -5.673 1.00 0.00 O ATOM 554 CB ARG A 37 9.932 -2.150 -4.298 1.00 0.00 C ATOM 555 CG ARG A 37 9.956 -1.287 -3.034 1.00 0.00 C ATOM 556 CD ARG A 37 9.481 -2.114 -1.838 1.00 0.00 C ATOM 557 NE ARG A 37 10.623 -2.341 -0.907 1.00 0.00 N ATOM 558 CZ ARG A 37 10.817 -1.536 0.102 1.00 0.00 C ATOM 559 NH1 ARG A 37 10.507 -0.272 -0.002 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.320 -1.994 1.216 1.00 0.00 N ATOM 0 H ARG A 37 9.182 -4.264 -5.400 1.00 0.00 H new ATOM 0 HA ARG A 37 7.815 -2.176 -3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.402 -3.114 -4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.508 -1.670 -5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.965 -0.916 -2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.314 -0.416 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.674 -1.595 -1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.080 -3.069 -2.178 1.00 0.00 H new ATOM 0 HE ARG A 37 11.254 -3.128 -1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.113 0.087 -0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.659 0.357 0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.562 -2.982 1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.471 -1.364 2.004 1.00 0.00 H new ATOM 574 N ASP A 38 8.419 -1.802 -7.094 1.00 0.00 N ATOM 575 CA ASP A 38 8.141 -0.914 -8.252 1.00 0.00 C ATOM 576 C ASP A 38 6.653 -0.555 -8.274 1.00 0.00 C ATOM 577 O ASP A 38 6.237 0.362 -8.953 1.00 0.00 O ATOM 578 CB ASP A 38 8.518 -1.632 -9.551 1.00 0.00 C ATOM 579 CG ASP A 38 8.412 -0.656 -10.723 1.00 0.00 C ATOM 580 OD1 ASP A 38 9.337 0.119 -10.907 1.00 0.00 O ATOM 581 OD2 ASP A 38 7.411 -0.700 -11.417 1.00 0.00 O ATOM 0 H ASP A 38 8.801 -2.718 -7.330 1.00 0.00 H new ATOM 0 HA ASP A 38 8.731 -0.002 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.533 -2.024 -9.481 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.858 -2.484 -9.713 1.00 0.00 H new ATOM 586 N LYS A 39 5.848 -1.270 -7.534 1.00 0.00 N ATOM 587 CA LYS A 39 4.388 -0.968 -7.510 1.00 0.00 C ATOM 588 C LYS A 39 4.007 -0.392 -6.145 1.00 0.00 C ATOM 589 O LYS A 39 3.458 0.688 -6.049 1.00 0.00 O ATOM 590 CB LYS A 39 3.595 -2.255 -7.753 1.00 0.00 C ATOM 591 CG LYS A 39 3.116 -2.294 -9.206 1.00 0.00 C ATOM 592 CD LYS A 39 1.681 -2.822 -9.259 1.00 0.00 C ATOM 593 CE LYS A 39 1.311 -3.149 -10.708 1.00 0.00 C ATOM 594 NZ LYS A 39 0.167 -4.104 -10.727 1.00 0.00 N ATOM 0 H LYS A 39 6.139 -2.050 -6.945 1.00 0.00 H new ATOM 0 HA LYS A 39 4.157 -0.243 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.218 -3.124 -7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.742 -2.302 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.163 -1.296 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.771 -2.932 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.587 -3.713 -8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.993 -2.079 -8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.045 -2.236 -11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.168 -3.582 -11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.084 -4.326 -11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.437 -4.979 -10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.651 -3.675 -10.250 1.00 0.00 H new ATOM 608 N VAL A 40 4.287 -1.105 -5.088 1.00 0.00 N ATOM 609 CA VAL A 40 3.933 -0.597 -3.733 1.00 0.00 C ATOM 610 C VAL A 40 4.334 0.880 -3.624 1.00 0.00 C ATOM 611 O VAL A 40 3.587 1.704 -3.137 1.00 0.00 O ATOM 612 CB VAL A 40 4.651 -1.447 -2.662 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.925 -0.750 -2.162 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.705 -1.669 -1.480 1.00 0.00 C ATOM 0 H VAL A 40 4.745 -2.016 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 40 2.858 -0.676 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 40 4.932 -2.400 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.409 -1.372 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.607 -0.596 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.665 0.213 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.206 -2.269 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.423 -0.706 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.811 -2.191 -1.822 1.00 0.00 H new ATOM 624 N ARG A 41 5.512 1.214 -4.077 1.00 0.00 N ATOM 625 CA ARG A 41 5.967 2.632 -4.005 1.00 0.00 C ATOM 626 C ARG A 41 5.102 3.492 -4.930 1.00 0.00 C ATOM 627 O ARG A 41 4.748 4.607 -4.602 1.00 0.00 O ATOM 628 CB ARG A 41 7.430 2.717 -4.446 1.00 0.00 C ATOM 629 CG ARG A 41 7.985 4.106 -4.123 1.00 0.00 C ATOM 630 CD ARG A 41 9.510 4.036 -4.021 1.00 0.00 C ATOM 631 NE ARG A 41 10.118 4.601 -5.258 1.00 0.00 N ATOM 632 CZ ARG A 41 11.263 5.226 -5.196 1.00 0.00 C ATOM 633 NH1 ARG A 41 11.319 6.439 -4.718 1.00 0.00 N ATOM 634 NH2 ARG A 41 12.352 4.638 -5.612 1.00 0.00 N ATOM 0 H ARG A 41 6.180 0.565 -4.494 1.00 0.00 H new ATOM 0 HA ARG A 41 5.874 2.995 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.018 1.953 -3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.510 2.522 -5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.694 4.815 -4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.564 4.469 -3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.852 4.592 -3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.829 3.002 -3.886 1.00 0.00 H new ATOM 0 HE ARG A 41 9.640 4.500 -6.153 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.469 6.899 -4.393 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.213 6.927 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.309 3.690 -5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.246 5.127 -5.563 1.00 0.00 H new ATOM 648 N GLU A 42 4.759 2.981 -6.081 1.00 0.00 N ATOM 649 CA GLU A 42 3.917 3.770 -7.026 1.00 0.00 C ATOM 650 C GLU A 42 2.643 4.228 -6.313 1.00 0.00 C ATOM 651 O GLU A 42 2.165 5.327 -6.521 1.00 0.00 O ATOM 652 CB GLU A 42 3.542 2.896 -8.226 1.00 0.00 C ATOM 653 CG GLU A 42 4.562 3.100 -9.348 1.00 0.00 C ATOM 654 CD GLU A 42 4.090 2.370 -10.606 1.00 0.00 C ATOM 655 OE1 GLU A 42 3.593 1.264 -10.473 1.00 0.00 O ATOM 656 OE2 GLU A 42 4.236 2.928 -11.682 1.00 0.00 O ATOM 0 H GLU A 42 5.025 2.052 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 42 4.475 4.641 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.516 1.847 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.543 3.153 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.682 4.163 -9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.537 2.723 -9.040 1.00 0.00 H new ATOM 663 N ILE A 43 2.089 3.396 -5.474 1.00 0.00 N ATOM 664 CA ILE A 43 0.846 3.785 -4.750 1.00 0.00 C ATOM 665 C ILE A 43 1.180 4.846 -3.699 1.00 0.00 C ATOM 666 O ILE A 43 0.489 5.836 -3.560 1.00 0.00 O ATOM 667 CB ILE A 43 0.249 2.556 -4.062 1.00 0.00 C ATOM 668 CG1 ILE A 43 0.133 1.413 -5.072 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.139 2.899 -3.521 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.925 1.765 -6.121 1.00 0.00 C ATOM 0 H ILE A 43 2.443 2.464 -5.259 1.00 0.00 H new ATOM 0 HA ILE A 43 0.124 4.190 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 43 0.895 2.251 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.095 1.240 -5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.138 0.489 -4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.565 2.024 -3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.058 3.714 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.785 3.204 -4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.008 0.951 -6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.887 1.916 -5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.634 2.679 -6.639 1.00 0.00 H new ATOM 682 N ALA A 44 2.237 4.646 -2.960 1.00 0.00 N ATOM 683 CA ALA A 44 2.617 5.641 -1.919 1.00 0.00 C ATOM 684 C ALA A 44 2.970 6.971 -2.588 1.00 0.00 C ATOM 685 O ALA A 44 3.009 8.006 -1.950 1.00 0.00 O ATOM 686 CB ALA A 44 3.829 5.125 -1.140 1.00 0.00 C ATOM 0 H ALA A 44 2.853 3.837 -3.033 1.00 0.00 H new ATOM 0 HA ALA A 44 1.781 5.789 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.108 5.852 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.578 4.178 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.665 4.977 -1.824 1.00 0.00 H new ATOM 692 N GLU A 45 3.228 6.954 -3.867 1.00 0.00 N ATOM 693 CA GLU A 45 3.578 8.219 -4.572 1.00 0.00 C ATOM 694 C GLU A 45 2.297 8.911 -5.042 1.00 0.00 C ATOM 695 O GLU A 45 2.128 10.103 -4.878 1.00 0.00 O ATOM 696 CB GLU A 45 4.460 7.900 -5.782 1.00 0.00 C ATOM 697 CG GLU A 45 5.853 7.484 -5.304 1.00 0.00 C ATOM 698 CD GLU A 45 6.704 7.071 -6.506 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.322 7.396 -7.617 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.725 6.434 -6.294 1.00 0.00 O ATOM 0 H GLU A 45 3.212 6.120 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 45 4.118 8.878 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.012 7.100 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.533 8.772 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.329 8.310 -4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.775 6.656 -4.599 1.00 0.00 H new ATOM 707 N LEU A 46 1.391 8.172 -5.624 1.00 0.00 N ATOM 708 CA LEU A 46 0.120 8.788 -6.102 1.00 0.00 C ATOM 709 C LEU A 46 -0.661 9.339 -4.904 1.00 0.00 C ATOM 710 O LEU A 46 -1.461 10.243 -5.036 1.00 0.00 O ATOM 711 CB LEU A 46 -0.724 7.731 -6.817 1.00 0.00 C ATOM 712 CG LEU A 46 -1.125 8.245 -8.201 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.672 9.668 -8.081 1.00 0.00 C ATOM 714 CD2 LEU A 46 0.101 8.248 -9.118 1.00 0.00 C ATOM 0 H LEU A 46 1.476 7.169 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 46 0.348 9.599 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.159 6.803 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.614 7.504 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.893 7.595 -8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.957 10.033 -9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.545 9.668 -7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.905 10.319 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.183 8.614 -10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.868 8.898 -8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.492 7.234 -9.206 1.00 0.00 H new ATOM 726 N LYS A 47 -0.432 8.801 -3.737 1.00 0.00 N ATOM 727 CA LYS A 47 -1.157 9.292 -2.530 1.00 0.00 C ATOM 728 C LYS A 47 -0.165 9.958 -1.575 1.00 0.00 C ATOM 729 O LYS A 47 -0.496 10.304 -0.459 1.00 0.00 O ATOM 730 CB LYS A 47 -1.823 8.110 -1.824 1.00 0.00 C ATOM 731 CG LYS A 47 -2.681 7.337 -2.825 1.00 0.00 C ATOM 732 CD LYS A 47 -4.138 7.771 -2.679 1.00 0.00 C ATOM 733 CE LYS A 47 -4.673 7.307 -1.324 1.00 0.00 C ATOM 734 NZ LYS A 47 -5.840 6.405 -1.535 1.00 0.00 N ATOM 0 H LYS A 47 0.227 8.041 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.915 10.015 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.065 7.454 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.440 8.466 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.333 7.524 -3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.589 6.265 -2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.216 8.855 -2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.738 7.346 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.892 6.785 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.968 8.167 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.668 6.785 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.050 6.341 -2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.618 5.458 -1.168 1.00 0.00 H new ATOM 748 N MET A 48 1.054 10.133 -2.004 1.00 0.00 N ATOM 749 CA MET A 48 2.073 10.766 -1.122 1.00 0.00 C ATOM 750 C MET A 48 1.581 12.127 -0.601 1.00 0.00 C ATOM 751 O MET A 48 1.739 12.418 0.568 1.00 0.00 O ATOM 752 CB MET A 48 3.383 10.948 -1.896 1.00 0.00 C ATOM 753 CG MET A 48 4.324 11.855 -1.103 1.00 0.00 C ATOM 754 SD MET A 48 4.569 13.404 -2.004 1.00 0.00 S ATOM 755 CE MET A 48 6.298 13.653 -1.536 1.00 0.00 C ATOM 0 H MET A 48 1.389 9.864 -2.929 1.00 0.00 H new ATOM 0 HA MET A 48 2.242 10.113 -0.266 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.853 9.980 -2.068 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.182 11.383 -2.875 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.906 12.058 -0.117 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.281 11.357 -0.947 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.731 14.443 -2.149 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.353 13.938 -0.485 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.854 12.728 -1.691 1.00 0.00 H new ATOM 765 N PRO A 49 1.010 12.932 -1.469 1.00 0.00 N ATOM 766 CA PRO A 49 0.511 14.266 -1.083 1.00 0.00 C ATOM 767 C PRO A 49 -0.833 14.155 -0.356 1.00 0.00 C ATOM 768 O PRO A 49 -1.241 15.053 0.352 1.00 0.00 O ATOM 769 CB PRO A 49 0.353 14.994 -2.420 1.00 0.00 C ATOM 770 CG PRO A 49 0.220 13.896 -3.502 1.00 0.00 C ATOM 771 CD PRO A 49 0.804 12.605 -2.896 1.00 0.00 C ATOM 0 HA PRO A 49 1.179 14.787 -0.396 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.526 15.638 -2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.214 15.633 -2.619 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.823 13.754 -3.783 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.759 14.177 -4.407 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.121 11.764 -3.017 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.740 12.327 -3.380 1.00 0.00 H new ATOM 779 N ASP A 50 -1.525 13.062 -0.523 1.00 0.00 N ATOM 780 CA ASP A 50 -2.839 12.905 0.161 1.00 0.00 C ATOM 781 C ASP A 50 -2.629 12.229 1.517 1.00 0.00 C ATOM 782 O ASP A 50 -3.558 11.743 2.131 1.00 0.00 O ATOM 783 CB ASP A 50 -3.765 12.047 -0.702 1.00 0.00 C ATOM 784 CG ASP A 50 -3.587 12.426 -2.173 1.00 0.00 C ATOM 785 OD1 ASP A 50 -2.611 11.992 -2.762 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.428 13.145 -2.686 1.00 0.00 O ATOM 0 H ASP A 50 -1.238 12.273 -1.102 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.291 13.885 0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.539 10.991 -0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.802 12.195 -0.400 1.00 0.00 H new ATOM 791 N LEU A 51 -1.413 12.195 1.989 1.00 0.00 N ATOM 792 CA LEU A 51 -1.141 11.550 3.304 1.00 0.00 C ATOM 793 C LEU A 51 -0.230 12.452 4.138 1.00 0.00 C ATOM 794 O LEU A 51 0.475 11.997 5.016 1.00 0.00 O ATOM 795 CB LEU A 51 -0.448 10.205 3.079 1.00 0.00 C ATOM 796 CG LEU A 51 -1.235 9.389 2.052 1.00 0.00 C ATOM 797 CD1 LEU A 51 -0.284 8.450 1.307 1.00 0.00 C ATOM 798 CD2 LEU A 51 -2.306 8.564 2.771 1.00 0.00 C ATOM 0 H LEU A 51 -0.596 12.586 1.520 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.082 11.394 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.572 10.364 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.380 9.657 4.019 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.710 10.063 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.845 7.869 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.480 9.036 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.192 7.775 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.868 7.982 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.829 7.890 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.984 9.232 3.302 1.00 0.00 H new ATOM 810 N ASN A 52 -0.236 13.728 3.869 1.00 0.00 N ATOM 811 CA ASN A 52 0.634 14.654 4.645 1.00 0.00 C ATOM 812 C ASN A 52 2.065 14.115 4.650 1.00 0.00 C ATOM 813 O ASN A 52 2.848 14.408 5.531 1.00 0.00 O ATOM 814 CB ASN A 52 0.121 14.750 6.084 1.00 0.00 C ATOM 815 CG ASN A 52 0.192 16.205 6.555 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.673 16.666 7.272 1.00 0.00 O ATOM 817 ND2 ASN A 52 1.195 16.950 6.180 1.00 0.00 N ATOM 0 H ASN A 52 -0.805 14.169 3.146 1.00 0.00 H new ATOM 0 HA ASN A 52 0.616 15.643 4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.906 14.388 6.140 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.719 14.115 6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.253 17.920 6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.921 16.562 5.578 1.00 0.00 H new ATOM 824 N ALA A 53 2.412 13.324 3.671 1.00 0.00 N ATOM 825 CA ALA A 53 3.791 12.762 3.617 1.00 0.00 C ATOM 826 C ALA A 53 4.765 13.840 3.139 1.00 0.00 C ATOM 827 O ALA A 53 4.707 14.286 2.011 1.00 0.00 O ATOM 828 CB ALA A 53 3.826 11.585 2.641 1.00 0.00 C ATOM 0 H ALA A 53 1.799 13.043 2.906 1.00 0.00 H new ATOM 0 HA ALA A 53 4.080 12.422 4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.835 11.175 2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.133 10.813 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.535 11.927 1.648 1.00 0.00 H new ATOM 834 N ALA A 54 5.661 14.260 3.988 1.00 0.00 N ATOM 835 CA ALA A 54 6.639 15.304 3.576 1.00 0.00 C ATOM 836 C ALA A 54 7.425 14.808 2.360 1.00 0.00 C ATOM 837 O ALA A 54 8.013 15.580 1.630 1.00 0.00 O ATOM 838 CB ALA A 54 7.605 15.582 4.728 1.00 0.00 C ATOM 0 H ALA A 54 5.758 13.926 4.947 1.00 0.00 H new ATOM 0 HA ALA A 54 6.108 16.221 3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.321 16.346 4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.045 15.931 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.138 14.667 4.985 1.00 0.00 H new ATOM 844 N SER A 55 7.441 13.522 2.139 1.00 0.00 N ATOM 845 CA SER A 55 8.188 12.977 0.972 1.00 0.00 C ATOM 846 C SER A 55 7.753 11.535 0.713 1.00 0.00 C ATOM 847 O SER A 55 7.022 10.943 1.485 1.00 0.00 O ATOM 848 CB SER A 55 9.688 13.008 1.267 1.00 0.00 C ATOM 849 OG SER A 55 9.905 12.681 2.633 1.00 0.00 O ATOM 0 H SER A 55 6.969 12.826 2.716 1.00 0.00 H new ATOM 0 HA SER A 55 7.976 13.584 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.211 12.300 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.093 13.996 1.049 1.00 0.00 H new ATOM 0 HG SER A 55 10.866 12.698 2.825 1.00 0.00 H new ATOM 855 N ILE A 56 8.201 10.961 -0.369 1.00 0.00 N ATOM 856 CA ILE A 56 7.817 9.558 -0.674 1.00 0.00 C ATOM 857 C ILE A 56 8.371 8.643 0.414 1.00 0.00 C ATOM 858 O ILE A 56 7.711 7.732 0.862 1.00 0.00 O ATOM 859 CB ILE A 56 8.395 9.149 -2.026 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.045 10.208 -3.075 1.00 0.00 C ATOM 861 CG2 ILE A 56 7.805 7.801 -2.446 1.00 0.00 C ATOM 862 CD1 ILE A 56 6.525 10.303 -3.219 1.00 0.00 C ATOM 0 H ILE A 56 8.815 11.403 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 56 6.731 9.475 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 56 9.479 9.063 -1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.454 11.175 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.496 9.949 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.217 7.508 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.055 7.046 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.721 7.887 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.277 11.057 -3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.128 9.337 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.086 10.582 -2.261 1.00 0.00 H new ATOM 874 N GLU A 57 9.579 8.881 0.852 1.00 0.00 N ATOM 875 CA GLU A 57 10.156 8.021 1.923 1.00 0.00 C ATOM 876 C GLU A 57 9.223 8.060 3.131 1.00 0.00 C ATOM 877 O GLU A 57 9.240 7.187 3.976 1.00 0.00 O ATOM 878 CB GLU A 57 11.535 8.549 2.327 1.00 0.00 C ATOM 879 CG GLU A 57 12.484 8.478 1.130 1.00 0.00 C ATOM 880 CD GLU A 57 13.836 9.083 1.514 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.893 9.761 2.526 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.792 8.855 0.791 1.00 0.00 O ATOM 0 H GLU A 57 10.186 9.629 0.517 1.00 0.00 H new ATOM 0 HA GLU A 57 10.261 6.999 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.453 9.578 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.932 7.961 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.613 7.442 0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.059 9.017 0.283 1.00 0.00 H new ATOM 889 N ALA A 58 8.402 9.071 3.210 1.00 0.00 N ATOM 890 CA ALA A 58 7.454 9.179 4.352 1.00 0.00 C ATOM 891 C ALA A 58 6.192 8.379 4.032 1.00 0.00 C ATOM 892 O ALA A 58 5.555 7.828 4.908 1.00 0.00 O ATOM 893 CB ALA A 58 7.091 10.647 4.577 1.00 0.00 C ATOM 0 H ALA A 58 8.348 9.829 2.530 1.00 0.00 H new ATOM 0 HA ALA A 58 7.918 8.783 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.397 10.726 5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.994 11.215 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.623 11.048 3.678 1.00 0.00 H new ATOM 899 N ALA A 59 5.823 8.303 2.780 1.00 0.00 N ATOM 900 CA ALA A 59 4.601 7.527 2.416 1.00 0.00 C ATOM 901 C ALA A 59 4.974 6.052 2.230 1.00 0.00 C ATOM 902 O ALA A 59 4.121 5.188 2.141 1.00 0.00 O ATOM 903 CB ALA A 59 4.010 8.075 1.116 1.00 0.00 C ATOM 0 H ALA A 59 6.311 8.741 1.999 1.00 0.00 H new ATOM 0 HA ALA A 59 3.862 7.619 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.118 7.506 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.745 9.124 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.745 7.986 0.316 1.00 0.00 H new ATOM 909 N MET A 60 6.246 5.755 2.179 1.00 0.00 N ATOM 910 CA MET A 60 6.680 4.340 2.006 1.00 0.00 C ATOM 911 C MET A 60 6.462 3.593 3.318 1.00 0.00 C ATOM 912 O MET A 60 6.369 2.383 3.349 1.00 0.00 O ATOM 913 CB MET A 60 8.163 4.300 1.635 1.00 0.00 C ATOM 914 CG MET A 60 8.657 2.852 1.655 1.00 0.00 C ATOM 915 SD MET A 60 7.914 1.945 0.276 1.00 0.00 S ATOM 916 CE MET A 60 8.797 2.794 -1.054 1.00 0.00 C ATOM 0 H MET A 60 7.004 6.434 2.250 1.00 0.00 H new ATOM 0 HA MET A 60 6.100 3.870 1.212 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.313 4.733 0.646 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.740 4.902 2.337 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.744 2.826 1.578 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.393 2.379 2.601 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.866 2.138 -1.922 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.258 3.702 -1.327 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.800 3.055 -0.716 1.00 0.00 H new ATOM 926 N ARG A 61 6.374 4.308 4.403 1.00 0.00 N ATOM 927 CA ARG A 61 6.151 3.647 5.717 1.00 0.00 C ATOM 928 C ARG A 61 4.677 3.257 5.826 1.00 0.00 C ATOM 929 O ARG A 61 4.317 2.331 6.523 1.00 0.00 O ATOM 930 CB ARG A 61 6.514 4.618 6.841 1.00 0.00 C ATOM 931 CG ARG A 61 8.026 4.849 6.848 1.00 0.00 C ATOM 932 CD ARG A 61 8.362 6.023 7.768 1.00 0.00 C ATOM 933 NE ARG A 61 9.485 5.641 8.669 1.00 0.00 N ATOM 934 CZ ARG A 61 9.599 6.201 9.842 1.00 0.00 C ATOM 935 NH1 ARG A 61 8.557 6.298 10.622 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.754 6.662 10.236 1.00 0.00 N ATOM 0 H ARG A 61 6.447 5.325 4.436 1.00 0.00 H new ATOM 0 HA ARG A 61 6.774 2.757 5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.992 5.564 6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.193 4.215 7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.540 3.950 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.377 5.054 5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.637 6.896 7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.487 6.300 8.356 1.00 0.00 H new ATOM 0 HE ARG A 61 10.165 4.942 8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.654 5.936 10.314 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.645 6.736 11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.569 6.585 9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.842 7.100 11.153 1.00 0.00 H new ATOM 950 N MET A 62 3.822 3.959 5.132 1.00 0.00 N ATOM 951 CA MET A 62 2.370 3.631 5.183 1.00 0.00 C ATOM 952 C MET A 62 2.080 2.480 4.218 1.00 0.00 C ATOM 953 O MET A 62 1.208 1.667 4.451 1.00 0.00 O ATOM 954 CB MET A 62 1.556 4.861 4.771 1.00 0.00 C ATOM 955 CG MET A 62 1.681 5.942 5.846 1.00 0.00 C ATOM 956 SD MET A 62 0.697 7.383 5.367 1.00 0.00 S ATOM 957 CE MET A 62 2.079 8.492 5.002 1.00 0.00 C ATOM 0 H MET A 62 4.068 4.746 4.532 1.00 0.00 H new ATOM 0 HA MET A 62 2.095 3.337 6.196 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.913 5.242 3.814 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.509 4.588 4.635 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.338 5.557 6.806 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.726 6.227 5.971 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.004 9.384 5.624 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.020 7.982 5.210 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.047 8.780 3.951 1.00 0.00 H new ATOM 967 N ILE A 63 2.802 2.406 3.133 1.00 0.00 N ATOM 968 CA ILE A 63 2.561 1.307 2.155 1.00 0.00 C ATOM 969 C ILE A 63 3.348 0.064 2.566 1.00 0.00 C ATOM 970 O ILE A 63 2.971 -1.047 2.255 1.00 0.00 O ATOM 971 CB ILE A 63 3.001 1.760 0.761 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.303 3.080 0.410 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.624 0.692 -0.266 1.00 0.00 C ATOM 974 CD1 ILE A 63 0.819 2.996 0.777 1.00 0.00 C ATOM 0 H ILE A 63 3.546 3.057 2.882 1.00 0.00 H new ATOM 0 HA ILE A 63 1.498 1.065 2.139 1.00 0.00 H new ATOM 0 HB ILE A 63 4.081 1.906 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.773 3.904 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.413 3.288 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.938 1.015 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.121 -0.245 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.544 0.544 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.328 3.936 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.352 2.183 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.719 2.809 1.846 1.00 0.00 H new ATOM 986 N GLU A 64 4.430 0.236 3.268 1.00 0.00 N ATOM 987 CA GLU A 64 5.223 -0.945 3.701 1.00 0.00 C ATOM 988 C GLU A 64 4.685 -1.435 5.045 1.00 0.00 C ATOM 989 O GLU A 64 4.680 -2.616 5.330 1.00 0.00 O ATOM 990 CB GLU A 64 6.696 -0.557 3.843 1.00 0.00 C ATOM 991 CG GLU A 64 6.862 0.377 5.041 1.00 0.00 C ATOM 992 CD GLU A 64 7.109 -0.452 6.303 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.333 -1.645 6.170 1.00 0.00 O ATOM 994 OE2 GLU A 64 7.070 0.118 7.381 1.00 0.00 O ATOM 0 H GLU A 64 4.799 1.141 3.560 1.00 0.00 H new ATOM 0 HA GLU A 64 5.138 -1.738 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.307 -1.450 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.043 -0.066 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.696 1.059 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.969 0.990 5.164 1.00 0.00 H new ATOM 1001 N GLY A 65 4.219 -0.535 5.870 1.00 0.00 N ATOM 1002 CA GLY A 65 3.666 -0.949 7.191 1.00 0.00 C ATOM 1003 C GLY A 65 2.214 -1.393 7.010 1.00 0.00 C ATOM 1004 O GLY A 65 1.723 -2.252 7.715 1.00 0.00 O ATOM 0 H GLY A 65 4.198 0.468 5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.259 -1.763 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.720 -0.121 7.897 1.00 0.00 H new ATOM 1008 N THR A 66 1.525 -0.818 6.061 1.00 0.00 N ATOM 1009 CA THR A 66 0.108 -1.212 5.826 1.00 0.00 C ATOM 1010 C THR A 66 0.077 -2.451 4.933 1.00 0.00 C ATOM 1011 O THR A 66 -0.796 -3.289 5.044 1.00 0.00 O ATOM 1012 CB THR A 66 -0.636 -0.066 5.133 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.517 1.114 5.915 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.114 -0.432 4.983 1.00 0.00 C ATOM 0 H THR A 66 1.883 -0.093 5.439 1.00 0.00 H new ATOM 0 HA THR A 66 -0.375 -1.430 6.779 1.00 0.00 H new ATOM 0 HB THR A 66 -0.204 0.105 4.147 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.138 1.715 5.503 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.643 0.384 4.490 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.205 -1.338 4.384 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.548 -0.603 5.968 1.00 0.00 H new ATOM 1022 N ALA A 67 1.027 -2.574 4.047 1.00 0.00 N ATOM 1023 CA ALA A 67 1.058 -3.758 3.148 1.00 0.00 C ATOM 1024 C ALA A 67 1.889 -4.869 3.795 1.00 0.00 C ATOM 1025 O ALA A 67 2.338 -5.784 3.135 1.00 0.00 O ATOM 1026 CB ALA A 67 1.681 -3.358 1.810 1.00 0.00 C ATOM 0 H ALA A 67 1.783 -1.904 3.908 1.00 0.00 H new ATOM 0 HA ALA A 67 0.044 -4.120 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.706 -4.223 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.085 -2.568 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.696 -2.998 1.975 1.00 0.00 H new ATOM 1032 N ARG A 68 2.098 -4.795 5.083 1.00 0.00 N ATOM 1033 CA ARG A 68 2.901 -5.847 5.767 1.00 0.00 C ATOM 1034 C ARG A 68 2.206 -6.261 7.067 1.00 0.00 C ATOM 1035 O ARG A 68 2.209 -7.416 7.443 1.00 0.00 O ATOM 1036 CB ARG A 68 4.295 -5.301 6.085 1.00 0.00 C ATOM 1037 CG ARG A 68 4.204 -4.296 7.236 1.00 0.00 C ATOM 1038 CD ARG A 68 5.610 -3.829 7.618 1.00 0.00 C ATOM 1039 NE ARG A 68 5.632 -3.447 9.057 1.00 0.00 N ATOM 1040 CZ ARG A 68 6.769 -3.216 9.654 1.00 0.00 C ATOM 1041 NH1 ARG A 68 7.632 -4.182 9.811 1.00 0.00 N ATOM 1042 NH2 ARG A 68 7.042 -2.018 10.095 1.00 0.00 N ATOM 0 H ARG A 68 1.748 -4.053 5.689 1.00 0.00 H new ATOM 0 HA ARG A 68 2.991 -6.714 5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.964 -6.118 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.718 -4.821 5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.594 -3.443 6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.716 -4.755 8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.332 -4.624 7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.903 -2.980 7.001 1.00 0.00 H new ATOM 0 HE ARG A 68 4.758 -3.366 9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.418 -5.118 9.467 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.521 -4.001 10.278 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.367 -1.263 9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.931 -1.837 10.562 1.00 0.00 H new ATOM 1056 N SER A 69 1.610 -5.327 7.757 1.00 0.00 N ATOM 1057 CA SER A 69 0.918 -5.669 9.031 1.00 0.00 C ATOM 1058 C SER A 69 -0.229 -6.640 8.742 1.00 0.00 C ATOM 1059 O SER A 69 -0.695 -7.344 9.616 1.00 0.00 O ATOM 1060 CB SER A 69 0.360 -4.396 9.667 1.00 0.00 C ATOM 1061 OG SER A 69 1.404 -3.716 10.350 1.00 0.00 O ATOM 0 H SER A 69 1.573 -4.342 7.493 1.00 0.00 H new ATOM 0 HA SER A 69 1.626 -6.135 9.716 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.069 -3.751 8.901 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.443 -4.644 10.361 1.00 0.00 H new ATOM 0 HG SER A 69 1.807 -3.052 9.753 1.00 0.00 H new ATOM 1067 N MET A 70 -0.690 -6.684 7.522 1.00 0.00 N ATOM 1068 CA MET A 70 -1.806 -7.609 7.183 1.00 0.00 C ATOM 1069 C MET A 70 -1.240 -8.988 6.843 1.00 0.00 C ATOM 1070 O MET A 70 -1.738 -10.001 7.291 1.00 0.00 O ATOM 1071 CB MET A 70 -2.574 -7.065 5.976 1.00 0.00 C ATOM 1072 CG MET A 70 -2.853 -5.575 6.179 1.00 0.00 C ATOM 1073 SD MET A 70 -4.308 -5.096 5.216 1.00 0.00 S ATOM 1074 CE MET A 70 -3.425 -4.271 3.870 1.00 0.00 C ATOM 0 H MET A 70 -0.342 -6.120 6.747 1.00 0.00 H new ATOM 0 HA MET A 70 -2.479 -7.691 8.036 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.995 -7.217 5.065 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.511 -7.608 5.853 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.018 -5.366 7.236 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.989 -4.987 5.869 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.046 -4.270 2.974 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.201 -3.244 4.158 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.495 -4.802 3.666 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.200 -9.036 6.058 1.00 0.00 N ATOM 1085 CA GLY A 71 0.397 -10.351 5.693 1.00 0.00 C ATOM 1086 C GLY A 71 1.109 -10.242 4.343 1.00 0.00 C ATOM 1087 O GLY A 71 1.916 -11.078 3.990 1.00 0.00 O ATOM 0 H GLY A 71 0.262 -8.222 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.103 -10.666 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.381 -11.112 5.643 1.00 0.00 H new ATOM 1091 N ILE A 72 0.821 -9.219 3.585 1.00 0.00 N ATOM 1092 CA ILE A 72 1.489 -9.065 2.263 1.00 0.00 C ATOM 1093 C ILE A 72 2.934 -8.619 2.479 1.00 0.00 C ATOM 1094 O ILE A 72 3.244 -7.933 3.432 1.00 0.00 O ATOM 1095 CB ILE A 72 0.749 -8.013 1.437 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.685 -8.482 1.185 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.463 -7.817 0.098 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.602 -7.267 1.059 1.00 0.00 C ATOM 0 H ILE A 72 0.154 -8.485 3.824 1.00 0.00 H new ATOM 0 HA ILE A 72 1.475 -10.017 1.732 1.00 0.00 H new ATOM 0 HB ILE A 72 0.735 -7.069 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.729 -9.080 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.019 -9.120 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.934 -7.067 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.485 -7.484 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.479 -8.761 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.624 -7.600 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.566 -6.687 1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.271 -6.646 0.227 1.00 0.00 H new ATOM 1110 N VAL A 73 3.821 -9.001 1.606 1.00 0.00 N ATOM 1111 CA VAL A 73 5.243 -8.594 1.772 1.00 0.00 C ATOM 1112 C VAL A 73 5.623 -7.625 0.644 1.00 0.00 C ATOM 1113 O VAL A 73 4.823 -7.322 -0.218 1.00 0.00 O ATOM 1114 CB VAL A 73 6.138 -9.850 1.751 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.718 -10.092 0.353 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.282 -9.667 2.750 1.00 0.00 C ATOM 0 H VAL A 73 3.624 -9.576 0.787 1.00 0.00 H new ATOM 0 HA VAL A 73 5.385 -8.087 2.727 1.00 0.00 H new ATOM 0 HB VAL A 73 5.531 -10.713 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.345 -10.984 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.905 -10.232 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.318 -9.232 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.919 -10.552 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.871 -8.793 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.872 -9.526 3.750 1.00 0.00 H new ATOM 1126 N VAL A 74 6.833 -7.138 0.644 1.00 0.00 N ATOM 1127 CA VAL A 74 7.248 -6.194 -0.432 1.00 0.00 C ATOM 1128 C VAL A 74 8.684 -6.525 -0.860 1.00 0.00 C ATOM 1129 O VAL A 74 9.551 -6.749 -0.038 1.00 0.00 O ATOM 1130 CB VAL A 74 7.139 -4.747 0.094 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.512 -4.199 0.503 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.540 -3.857 -0.997 1.00 0.00 C ATOM 0 H VAL A 74 7.549 -7.351 1.338 1.00 0.00 H new ATOM 0 HA VAL A 74 6.597 -6.292 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 74 6.497 -4.749 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.402 -3.178 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.933 -4.824 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.178 -4.205 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.461 -2.834 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.183 -3.878 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.549 -4.224 -1.263 1.00 0.00 H new ATOM 1142 N GLU A 75 8.940 -6.564 -2.139 1.00 0.00 N ATOM 1143 CA GLU A 75 10.315 -6.889 -2.612 1.00 0.00 C ATOM 1144 C GLU A 75 11.149 -5.608 -2.698 1.00 0.00 C ATOM 1145 O GLU A 75 10.644 -4.515 -2.544 1.00 0.00 O ATOM 1146 CB GLU A 75 10.235 -7.538 -3.995 1.00 0.00 C ATOM 1147 CG GLU A 75 10.692 -8.995 -3.901 1.00 0.00 C ATOM 1148 CD GLU A 75 11.649 -9.305 -5.054 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.557 -8.521 -5.270 1.00 0.00 O ATOM 1150 OE2 GLU A 75 11.456 -10.322 -5.700 1.00 0.00 O ATOM 0 H GLU A 75 8.258 -6.385 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 75 10.785 -7.578 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.214 -7.490 -4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.862 -6.994 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.187 -9.171 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.830 -9.661 -3.941 1.00 0.00 H new ATOM 1157 N ASP A 76 12.425 -5.739 -2.944 1.00 0.00 N ATOM 1158 CA ASP A 76 13.295 -4.533 -3.042 1.00 0.00 C ATOM 1159 C ASP A 76 13.821 -4.403 -4.474 1.00 0.00 C ATOM 1160 O ASP A 76 13.108 -4.793 -5.383 1.00 0.00 O ATOM 1161 CB ASP A 76 14.472 -4.675 -2.076 1.00 0.00 C ATOM 1162 CG ASP A 76 15.208 -3.339 -1.963 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.643 -2.419 -1.397 1.00 0.00 O ATOM 1164 OD2 ASP A 76 16.327 -3.260 -2.444 1.00 0.00 O ATOM 1165 OXT ASP A 76 14.928 -3.917 -4.634 1.00 0.00 O ATOM 0 H ASP A 76 12.902 -6.630 -3.081 1.00 0.00 H new ATOM 0 HA ASP A 76 12.719 -3.644 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.115 -4.989 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.154 -5.449 -2.429 1.00 0.00 H new TER 1170 ASP A 76