USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 CYS SG : rot 132:sc= -1.48! USER MOD Set 1.2: A 61 MET CE :methyl 172:sc= -12.6! (180deg=-12.5!) USER MOD Set 2.1: A 14 MET CE :methyl -132:sc= -5.43! (180deg=-9.97!) USER MOD Set 2.2: A 40 SER OG : rot 180:sc= 0.0839 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -2.36 K(o=-2.4,f=-1.8) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.8) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 17 HIS : no HD1:sc= -7.2! C(o=-7.2!,f=-4.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.424 K(o=-0.42,f=0.56) USER MOD Single : A 34 THR OG1 : rot 22:sc= -8.55! USER MOD Single : A 43 THR OG1 : rot -118:sc= 0.0342 USER MOD Single : A 53 SER OG : rot 170:sc= -1.24! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -142:sc= -0.239 (180deg=-2.53!) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.215 (180deg=-0.73) USER MOD Single : A 66 GLN : amide:sc= -7.19! C(o=-7.2!,f=-6.8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.434 8.451 4.002 1.00 0.00 N ATOM 2 CA PRO A 1 -3.034 7.322 3.106 1.00 0.00 C ATOM 3 C PRO A 1 -3.550 6.000 3.679 1.00 0.00 C ATOM 4 O PRO A 1 -4.236 5.250 3.014 1.00 0.00 O ATOM 5 CB PRO A 1 -1.507 7.292 3.028 1.00 0.00 C ATOM 6 CG PRO A 1 -0.988 8.457 3.861 1.00 0.00 C ATOM 7 CD PRO A 1 -2.202 9.160 4.467 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.961 8.098 4.801 1.00 0.00 H new ATOM 0 H3 PRO A 1 -4.046 9.097 3.504 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.459 7.461 2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -1.121 6.346 3.408 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.173 7.380 1.994 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.319 8.101 4.645 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.414 9.147 3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -2.144 9.147 5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -2.227 10.206 4.161 1.00 0.00 H new ATOM 17 N ILE A 2 -3.230 5.709 4.910 1.00 0.00 N ATOM 18 CA ILE A 2 -3.708 4.436 5.522 1.00 0.00 C ATOM 19 C ILE A 2 -5.206 4.543 5.812 1.00 0.00 C ATOM 20 O ILE A 2 -6.012 3.835 5.238 1.00 0.00 O ATOM 21 CB ILE A 2 -2.955 4.181 6.830 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.502 4.645 6.688 1.00 0.00 C ATOM 23 CG2 ILE A 2 -2.980 2.686 7.151 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.927 4.139 5.363 1.00 0.00 C ATOM 0 H ILE A 2 -2.659 6.296 5.518 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.526 3.612 4.832 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.436 4.736 7.635 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.452 5.733 6.725 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.907 4.270 7.521 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.444 2.505 8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.013 2.354 7.256 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.501 2.132 6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.107 4.471 5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.962 3.050 5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.516 4.536 4.536 1.00 0.00 H new ATOM 36 N SER A 3 -5.587 5.423 6.698 1.00 0.00 N ATOM 37 CA SER A 3 -7.032 5.574 7.022 1.00 0.00 C ATOM 38 C SER A 3 -7.817 5.796 5.730 1.00 0.00 C ATOM 39 O SER A 3 -8.978 5.449 5.633 1.00 0.00 O ATOM 40 CB SER A 3 -7.224 6.772 7.950 1.00 0.00 C ATOM 41 OG SER A 3 -7.366 7.952 7.171 1.00 0.00 O ATOM 0 H SER A 3 -4.960 6.043 7.210 1.00 0.00 H new ATOM 0 HA SER A 3 -7.393 4.673 7.518 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.106 6.626 8.573 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.371 6.867 8.622 1.00 0.00 H new ATOM 0 HG SER A 3 -7.491 8.722 7.764 1.00 0.00 H new ATOM 47 N GLN A 4 -7.195 6.363 4.733 1.00 0.00 N ATOM 48 CA GLN A 4 -7.912 6.591 3.449 1.00 0.00 C ATOM 49 C GLN A 4 -8.215 5.237 2.814 1.00 0.00 C ATOM 50 O GLN A 4 -9.341 4.939 2.465 1.00 0.00 O ATOM 51 CB GLN A 4 -7.037 7.417 2.506 1.00 0.00 C ATOM 52 CG GLN A 4 -7.022 8.875 2.970 1.00 0.00 C ATOM 53 CD GLN A 4 -7.276 9.794 1.774 1.00 0.00 C ATOM 54 OE1 GLN A 4 -8.329 10.391 1.665 1.00 0.00 O ATOM 55 NE2 GLN A 4 -6.349 9.935 0.866 1.00 0.00 N ATOM 0 H GLN A 4 -6.225 6.677 4.753 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.839 7.133 3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.023 7.018 2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.420 7.352 1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.785 9.033 3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.061 9.112 3.427 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.465 9.434 0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.508 10.546 0.065 1.00 0.00 H new ATOM 64 N VAL A 5 -7.222 4.402 2.675 1.00 0.00 N ATOM 65 CA VAL A 5 -7.473 3.064 2.082 1.00 0.00 C ATOM 66 C VAL A 5 -8.511 2.357 2.936 1.00 0.00 C ATOM 67 O VAL A 5 -9.569 2.019 2.475 1.00 0.00 O ATOM 68 CB VAL A 5 -6.187 2.233 2.073 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.395 0.953 1.263 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.036 3.042 1.469 1.00 0.00 C ATOM 0 H VAL A 5 -6.256 4.589 2.945 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.822 3.179 1.056 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.936 1.971 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.475 0.369 1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.197 0.366 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.662 1.210 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.128 2.439 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.286 3.322 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.874 3.942 2.062 1.00 0.00 H new ATOM 80 N HIS A 6 -8.226 2.139 4.184 1.00 0.00 N ATOM 81 CA HIS A 6 -9.220 1.463 5.053 1.00 0.00 C ATOM 82 C HIS A 6 -10.605 2.051 4.780 1.00 0.00 C ATOM 83 O HIS A 6 -11.596 1.349 4.733 1.00 0.00 O ATOM 84 CB HIS A 6 -8.839 1.705 6.510 1.00 0.00 C ATOM 85 CG HIS A 6 -7.588 0.936 6.837 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.607 -0.418 7.133 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.274 1.320 6.916 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.338 -0.797 7.374 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.485 0.224 7.255 1.00 0.00 N ATOM 0 H HIS A 6 -7.351 2.399 4.639 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.235 0.392 4.848 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.680 2.769 6.683 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.652 1.393 7.166 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.907 2.321 6.742 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.045 -1.804 7.632 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.473 0.205 7.385 1.00 0.00 H new ATOM 97 N GLU A 7 -10.674 3.342 4.597 1.00 0.00 N ATOM 98 CA GLU A 7 -11.985 4.001 4.334 1.00 0.00 C ATOM 99 C GLU A 7 -12.627 3.454 3.054 1.00 0.00 C ATOM 100 O GLU A 7 -13.685 2.868 3.093 1.00 0.00 O ATOM 101 CB GLU A 7 -11.775 5.510 4.191 1.00 0.00 C ATOM 102 CG GLU A 7 -11.820 6.166 5.572 1.00 0.00 C ATOM 103 CD GLU A 7 -13.179 6.842 5.772 1.00 0.00 C ATOM 104 OE1 GLU A 7 -14.183 6.197 5.521 1.00 0.00 O ATOM 105 OE2 GLU A 7 -13.191 7.995 6.173 1.00 0.00 O ATOM 0 H GLU A 7 -9.872 3.972 4.619 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.651 3.793 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.816 5.710 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.546 5.936 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.657 5.418 6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.020 6.900 5.664 1.00 0.00 H new ATOM 112 N ILE A 8 -12.014 3.659 1.916 1.00 0.00 N ATOM 113 CA ILE A 8 -12.621 3.166 0.643 1.00 0.00 C ATOM 114 C ILE A 8 -12.609 1.637 0.594 1.00 0.00 C ATOM 115 O ILE A 8 -13.602 1.007 0.298 1.00 0.00 O ATOM 116 CB ILE A 8 -11.820 3.712 -0.543 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.334 3.366 -0.377 1.00 0.00 C ATOM 118 CG2 ILE A 8 -11.979 5.231 -0.608 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.020 2.040 -1.082 1.00 0.00 C ATOM 0 H ILE A 8 -11.123 4.145 1.813 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.654 3.511 0.593 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.194 3.261 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.718 4.163 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.086 3.292 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.409 5.621 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.032 5.481 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.609 5.675 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.963 1.804 -0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.623 1.244 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.250 2.129 -2.144 1.00 0.00 H new ATOM 131 N GLY A 9 -11.487 1.043 0.856 1.00 0.00 N ATOM 132 CA GLY A 9 -11.381 -0.432 0.806 1.00 0.00 C ATOM 133 C GLY A 9 -12.542 -1.061 1.575 1.00 0.00 C ATOM 134 O GLY A 9 -13.226 -1.928 1.079 1.00 0.00 O ATOM 0 H GLY A 9 -10.624 1.526 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.392 -0.772 -0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.432 -0.752 1.236 1.00 0.00 H new ATOM 138 N ILE A 10 -12.772 -0.646 2.788 1.00 0.00 N ATOM 139 CA ILE A 10 -13.894 -1.253 3.559 1.00 0.00 C ATOM 140 C ILE A 10 -15.237 -0.802 2.969 1.00 0.00 C ATOM 141 O ILE A 10 -16.138 -1.592 2.771 1.00 0.00 O ATOM 142 CB ILE A 10 -13.773 -0.838 5.038 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.245 -2.032 5.820 1.00 0.00 C ATOM 144 CG2 ILE A 10 -15.131 -0.423 5.622 1.00 0.00 C ATOM 145 CD1 ILE A 10 -14.195 -3.211 5.609 1.00 0.00 C ATOM 0 H ILE A 10 -12.241 0.076 3.275 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.845 -2.340 3.494 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.101 0.017 5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.241 -2.290 5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.174 -1.789 6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.006 -0.137 6.666 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.526 0.423 5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.827 -1.260 5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.830 -4.076 6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.190 -2.945 5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.243 -3.454 4.548 1.00 0.00 H new ATOM 157 N LYS A 11 -15.378 0.464 2.703 1.00 0.00 N ATOM 158 CA LYS A 11 -16.659 0.979 2.146 1.00 0.00 C ATOM 159 C LYS A 11 -16.903 0.395 0.753 1.00 0.00 C ATOM 160 O LYS A 11 -17.965 0.551 0.183 1.00 0.00 O ATOM 161 CB LYS A 11 -16.579 2.501 2.042 1.00 0.00 C ATOM 162 CG LYS A 11 -17.485 3.139 3.096 1.00 0.00 C ATOM 163 CD LYS A 11 -18.030 4.468 2.568 1.00 0.00 C ATOM 164 CE LYS A 11 -17.353 5.627 3.301 1.00 0.00 C ATOM 165 NZ LYS A 11 -16.480 6.373 2.351 1.00 0.00 N ATOM 0 H LYS A 11 -14.656 1.170 2.848 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.478 0.687 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.550 2.831 2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.881 2.823 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.308 2.467 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.927 3.304 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.849 4.547 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.109 4.513 2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.105 6.295 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.761 5.248 4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.019 7.161 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.754 5.733 1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.056 6.746 1.570 1.00 0.00 H new ATOM 179 N ARG A 12 -15.929 -0.266 0.197 1.00 0.00 N ATOM 180 CA ARG A 12 -16.109 -0.844 -1.167 1.00 0.00 C ATOM 181 C ARG A 12 -15.809 -2.342 -1.135 1.00 0.00 C ATOM 182 O ARG A 12 -15.613 -2.967 -2.159 1.00 0.00 O ATOM 183 CB ARG A 12 -15.151 -0.156 -2.141 1.00 0.00 C ATOM 184 CG ARG A 12 -15.827 -0.017 -3.507 1.00 0.00 C ATOM 185 CD ARG A 12 -16.684 1.253 -3.523 1.00 0.00 C ATOM 186 NE ARG A 12 -18.132 0.898 -3.422 1.00 0.00 N ATOM 187 CZ ARG A 12 -18.599 -0.153 -4.040 1.00 0.00 C ATOM 188 NH1 ARG A 12 -18.826 -0.109 -5.324 1.00 0.00 N ATOM 189 NH2 ARG A 12 -18.840 -1.248 -3.373 1.00 0.00 N ATOM 0 H ARG A 12 -15.018 -0.432 0.624 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.138 -0.688 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.871 0.826 -1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.232 -0.735 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.075 0.029 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -16.447 -0.890 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.402 1.902 -2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.502 1.812 -4.441 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.759 1.480 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -18.639 0.747 -5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -19.191 -0.931 -5.806 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -18.664 -1.283 -2.369 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -19.205 -2.069 -3.856 1.00 0.00 H new ATOM 203 N ASN A 13 -15.765 -2.920 0.034 1.00 0.00 N ATOM 204 CA ASN A 13 -15.477 -4.380 0.150 1.00 0.00 C ATOM 205 C ASN A 13 -13.992 -4.653 -0.154 1.00 0.00 C ATOM 206 O ASN A 13 -13.517 -5.756 0.024 1.00 0.00 O ATOM 207 CB ASN A 13 -16.405 -5.163 -0.807 1.00 0.00 C ATOM 208 CG ASN A 13 -15.635 -6.258 -1.560 1.00 0.00 C ATOM 209 OD1 ASN A 13 -15.410 -7.330 -1.035 1.00 0.00 O ATOM 210 ND2 ASN A 13 -15.224 -6.027 -2.776 1.00 0.00 N ATOM 0 H ASN A 13 -15.917 -2.441 0.921 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.672 -4.715 1.169 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.220 -5.613 -0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -16.857 -4.476 -1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.713 -6.747 -3.287 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.413 -5.126 -3.216 1.00 0.00 H new ATOM 217 N MET A 14 -13.248 -3.670 -0.598 1.00 0.00 N ATOM 218 CA MET A 14 -11.810 -3.911 -0.886 1.00 0.00 C ATOM 219 C MET A 14 -11.030 -3.883 0.430 1.00 0.00 C ATOM 220 O MET A 14 -10.609 -2.844 0.890 1.00 0.00 O ATOM 221 CB MET A 14 -11.295 -2.816 -1.822 1.00 0.00 C ATOM 222 CG MET A 14 -11.506 -3.254 -3.272 1.00 0.00 C ATOM 223 SD MET A 14 -10.867 -1.986 -4.393 1.00 0.00 S ATOM 224 CE MET A 14 -10.081 -3.114 -5.569 1.00 0.00 C ATOM 0 H MET A 14 -13.576 -2.720 -0.771 1.00 0.00 H new ATOM 0 HA MET A 14 -11.679 -4.881 -1.365 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.822 -1.881 -1.632 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.237 -2.630 -1.636 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.999 -4.202 -3.453 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.567 -3.419 -3.461 1.00 0.00 H new ATOM 0 HE1 MET A 14 -9.067 -2.774 -5.777 1.00 0.00 H new ATOM 0 HE2 MET A 14 -10.047 -4.117 -5.144 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.655 -3.132 -6.495 1.00 0.00 H new ATOM 234 N THR A 15 -10.844 -5.020 1.044 1.00 0.00 N ATOM 235 CA THR A 15 -10.101 -5.060 2.337 1.00 0.00 C ATOM 236 C THR A 15 -8.875 -4.146 2.268 1.00 0.00 C ATOM 237 O THR A 15 -8.489 -3.681 1.220 1.00 0.00 O ATOM 238 CB THR A 15 -9.656 -6.498 2.635 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.161 -7.368 1.631 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.205 -6.916 3.999 1.00 0.00 C ATOM 0 H THR A 15 -11.175 -5.924 0.706 1.00 0.00 H new ATOM 0 HA THR A 15 -10.759 -4.712 3.133 1.00 0.00 H new ATOM 0 HB THR A 15 -8.567 -6.554 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.876 -8.286 1.820 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.894 -7.937 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.820 -6.246 4.767 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.294 -6.864 3.985 1.00 0.00 H new ATOM 248 N VAL A 16 -8.262 -3.888 3.384 1.00 0.00 N ATOM 249 CA VAL A 16 -7.061 -3.010 3.390 1.00 0.00 C ATOM 250 C VAL A 16 -6.021 -3.624 4.319 1.00 0.00 C ATOM 251 O VAL A 16 -5.921 -3.262 5.475 1.00 0.00 O ATOM 252 CB VAL A 16 -7.444 -1.618 3.899 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.197 -0.733 3.963 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.464 -0.993 2.945 1.00 0.00 C ATOM 0 H VAL A 16 -8.540 -4.248 4.297 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.658 -2.920 2.381 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.878 -1.702 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.472 0.257 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.469 -1.178 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.761 -0.647 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.739 -0.001 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.028 -0.910 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.353 -1.622 2.900 1.00 0.00 H new ATOM 264 N HIS A 17 -5.251 -4.562 3.839 1.00 0.00 N ATOM 265 CA HIS A 17 -4.236 -5.190 4.745 1.00 0.00 C ATOM 266 C HIS A 17 -2.828 -4.706 4.392 1.00 0.00 C ATOM 267 O HIS A 17 -2.153 -5.266 3.551 1.00 0.00 O ATOM 268 CB HIS A 17 -4.303 -6.716 4.643 1.00 0.00 C ATOM 269 CG HIS A 17 -5.595 -7.201 5.248 1.00 0.00 C ATOM 270 ND1 HIS A 17 -6.095 -6.678 6.430 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.503 -8.156 4.848 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.251 -7.312 6.699 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.547 -8.222 5.766 1.00 0.00 N ATOM 0 H HIS A 17 -5.275 -4.917 2.883 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.462 -4.893 5.769 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.238 -7.025 3.600 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.455 -7.164 5.161 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.418 -8.761 3.958 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.865 -7.110 7.564 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.363 -8.833 5.734 1.00 0.00 H new ATOM 281 N PHE A 18 -2.387 -3.663 5.041 1.00 0.00 N ATOM 282 CA PHE A 18 -1.031 -3.113 4.779 1.00 0.00 C ATOM 283 C PHE A 18 0.032 -3.962 5.476 1.00 0.00 C ATOM 284 O PHE A 18 0.023 -4.126 6.679 1.00 0.00 O ATOM 285 CB PHE A 18 -0.965 -1.692 5.332 1.00 0.00 C ATOM 286 CG PHE A 18 -1.603 -0.760 4.345 1.00 0.00 C ATOM 287 CD1 PHE A 18 -0.879 -0.342 3.230 1.00 0.00 C ATOM 288 CD2 PHE A 18 -2.922 -0.331 4.530 1.00 0.00 C ATOM 289 CE1 PHE A 18 -1.468 0.509 2.297 1.00 0.00 C ATOM 290 CE2 PHE A 18 -3.511 0.524 3.597 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.786 0.941 2.480 1.00 0.00 C ATOM 0 H PHE A 18 -2.919 -3.162 5.753 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.844 -3.119 3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.479 -1.636 6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.071 -1.403 5.509 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.138 -0.677 3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.483 -0.660 5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.907 0.835 1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.527 0.862 3.739 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.243 1.598 1.755 1.00 0.00 H new ATOM 301 N LYS A 19 0.957 -4.485 4.723 1.00 0.00 N ATOM 302 CA LYS A 19 2.038 -5.307 5.320 1.00 0.00 C ATOM 303 C LYS A 19 3.280 -5.154 4.448 1.00 0.00 C ATOM 304 O LYS A 19 3.255 -5.438 3.267 1.00 0.00 O ATOM 305 CB LYS A 19 1.607 -6.774 5.357 1.00 0.00 C ATOM 306 CG LYS A 19 2.093 -7.419 6.657 1.00 0.00 C ATOM 307 CD LYS A 19 2.667 -8.804 6.353 1.00 0.00 C ATOM 308 CE LYS A 19 4.078 -8.911 6.936 1.00 0.00 C ATOM 309 NZ LYS A 19 4.712 -10.177 6.474 1.00 0.00 N ATOM 0 H LYS A 19 1.009 -4.376 3.710 1.00 0.00 H new ATOM 0 HA LYS A 19 2.248 -4.980 6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.522 -6.847 5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.018 -7.306 4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.853 -6.793 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.268 -7.502 7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.027 -9.576 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.693 -8.970 5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.678 -8.056 6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.036 -8.889 8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.671 -10.250 6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.143 -10.987 6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.765 -10.180 5.435 1.00 0.00 H new ATOM 323 N VAL A 20 4.366 -4.705 5.007 1.00 0.00 N ATOM 324 CA VAL A 20 5.592 -4.536 4.185 1.00 0.00 C ATOM 325 C VAL A 20 6.222 -5.901 3.972 1.00 0.00 C ATOM 326 O VAL A 20 6.394 -6.681 4.888 1.00 0.00 O ATOM 327 CB VAL A 20 6.554 -3.585 4.889 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.905 -3.595 4.171 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.961 -2.171 4.847 1.00 0.00 C ATOM 0 H VAL A 20 4.458 -4.449 5.990 1.00 0.00 H new ATOM 0 HA VAL A 20 5.347 -4.104 3.215 1.00 0.00 H new ATOM 0 HB VAL A 20 6.699 -3.900 5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.591 -2.915 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.318 -4.604 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.770 -3.274 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.637 -1.478 5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.827 -1.863 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.996 -2.166 5.354 1.00 0.00 H new ATOM 339 N LEU A 21 6.523 -6.204 2.746 1.00 0.00 N ATOM 340 CA LEU A 21 7.099 -7.530 2.418 1.00 0.00 C ATOM 341 C LEU A 21 8.617 -7.468 2.532 1.00 0.00 C ATOM 342 O LEU A 21 9.271 -8.474 2.719 1.00 0.00 O ATOM 343 CB LEU A 21 6.708 -7.915 0.984 1.00 0.00 C ATOM 344 CG LEU A 21 5.433 -7.183 0.560 1.00 0.00 C ATOM 345 CD1 LEU A 21 4.973 -7.714 -0.799 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.332 -7.428 1.596 1.00 0.00 C ATOM 0 H LEU A 21 6.393 -5.582 1.948 1.00 0.00 H new ATOM 0 HA LEU A 21 6.714 -8.276 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.520 -7.668 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.554 -8.992 0.920 1.00 0.00 H new ATOM 0 HG LEU A 21 5.635 -6.114 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.065 -7.195 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.754 -7.544 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.772 -8.783 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.424 -6.906 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.130 -8.497 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.657 -7.056 2.567 1.00 0.00 H new ATOM 358 N ARG A 22 9.183 -6.295 2.431 1.00 0.00 N ATOM 359 CA ARG A 22 10.671 -6.178 2.545 1.00 0.00 C ATOM 360 C ARG A 22 11.152 -4.864 1.926 1.00 0.00 C ATOM 361 O ARG A 22 10.379 -3.963 1.667 1.00 0.00 O ATOM 362 CB ARG A 22 11.338 -7.343 1.808 1.00 0.00 C ATOM 363 CG ARG A 22 11.931 -8.323 2.824 1.00 0.00 C ATOM 364 CD ARG A 22 11.660 -9.758 2.368 1.00 0.00 C ATOM 365 NE ARG A 22 12.930 -10.385 1.895 1.00 0.00 N ATOM 366 CZ ARG A 22 13.817 -9.672 1.256 1.00 0.00 C ATOM 367 NH1 ARG A 22 13.722 -9.516 -0.036 1.00 0.00 N ATOM 368 NH2 ARG A 22 14.800 -9.114 1.909 1.00 0.00 N ATOM 0 H ARG A 22 8.686 -5.418 2.276 1.00 0.00 H new ATOM 0 HA ARG A 22 10.939 -6.200 3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.609 -7.853 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.121 -6.969 1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.004 -8.158 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.492 -8.154 3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.241 -10.338 3.190 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.921 -9.762 1.567 1.00 0.00 H new ATOM 0 HE ARG A 22 13.105 -11.374 2.072 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.954 -9.951 -0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.416 -8.959 -0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.875 -9.235 2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.493 -8.557 1.409 1.00 0.00 H new ATOM 499 N ASN A 31 13.970 2.218 -0.009 1.00 0.00 N ATOM 500 CA ASN A 31 12.556 2.099 -0.469 1.00 0.00 C ATOM 501 C ASN A 31 12.024 0.711 -0.117 1.00 0.00 C ATOM 502 O ASN A 31 12.677 -0.289 -0.340 1.00 0.00 O ATOM 503 CB ASN A 31 12.479 2.304 -1.984 1.00 0.00 C ATOM 504 CG ASN A 31 12.955 3.714 -2.334 1.00 0.00 C ATOM 505 OD1 ASN A 31 14.041 4.111 -1.963 1.00 0.00 O ATOM 506 ND2 ASN A 31 12.181 4.495 -3.038 1.00 0.00 N ATOM 0 HA ASN A 31 11.954 2.861 0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.096 1.564 -2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.456 2.158 -2.330 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.489 5.438 -3.276 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.269 4.162 -3.350 1.00 0.00 H new ATOM 513 N PHE A 32 10.849 0.642 0.444 1.00 0.00 N ATOM 514 CA PHE A 32 10.285 -0.682 0.822 1.00 0.00 C ATOM 515 C PHE A 32 9.013 -0.965 0.026 1.00 0.00 C ATOM 516 O PHE A 32 8.211 -0.082 -0.222 1.00 0.00 O ATOM 517 CB PHE A 32 9.948 -0.679 2.313 1.00 0.00 C ATOM 518 CG PHE A 32 11.208 -0.888 3.114 1.00 0.00 C ATOM 519 CD1 PHE A 32 12.308 -0.044 2.924 1.00 0.00 C ATOM 520 CD2 PHE A 32 11.275 -1.930 4.045 1.00 0.00 C ATOM 521 CE1 PHE A 32 13.476 -0.242 3.668 1.00 0.00 C ATOM 522 CE2 PHE A 32 12.442 -2.128 4.790 1.00 0.00 C ATOM 523 CZ PHE A 32 13.544 -1.285 4.600 1.00 0.00 C ATOM 0 H PHE A 32 10.256 1.444 0.657 1.00 0.00 H new ATOM 0 HA PHE A 32 11.022 -1.454 0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.481 0.267 2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.228 -1.467 2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.255 0.759 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.426 -2.581 4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.325 0.409 3.524 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.493 -2.930 5.511 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.447 -1.439 5.172 1.00 0.00 H new ATOM 533 N ILE A 33 8.808 -2.199 -0.355 1.00 0.00 N ATOM 534 CA ILE A 33 7.574 -2.544 -1.104 1.00 0.00 C ATOM 535 C ILE A 33 6.508 -2.940 -0.091 1.00 0.00 C ATOM 536 O ILE A 33 6.620 -3.947 0.578 1.00 0.00 O ATOM 537 CB ILE A 33 7.831 -3.716 -2.049 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.245 -3.614 -2.625 1.00 0.00 C ATOM 539 CG2 ILE A 33 6.810 -3.682 -3.186 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.356 -2.352 -3.479 1.00 0.00 C ATOM 0 H ILE A 33 9.443 -2.978 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 33 7.251 -1.688 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 33 7.735 -4.653 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.977 -3.586 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.469 -4.495 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.991 -4.517 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.804 -3.760 -2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.906 -2.744 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.363 -2.278 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.634 -2.400 -4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.150 -1.477 -2.863 1.00 0.00 H new ATOM 552 N THR A 34 5.489 -2.149 0.052 1.00 0.00 N ATOM 553 CA THR A 34 4.442 -2.484 1.053 1.00 0.00 C ATOM 554 C THR A 34 3.191 -3.043 0.364 1.00 0.00 C ATOM 555 O THR A 34 2.561 -2.387 -0.444 1.00 0.00 O ATOM 556 CB THR A 34 4.094 -1.221 1.846 1.00 0.00 C ATOM 557 OG1 THR A 34 5.147 -0.928 2.756 1.00 0.00 O ATOM 558 CG2 THR A 34 2.795 -1.438 2.624 1.00 0.00 C ATOM 0 H THR A 34 5.334 -1.290 -0.476 1.00 0.00 H new ATOM 0 HA THR A 34 4.821 -3.251 1.729 1.00 0.00 H new ATOM 0 HB THR A 34 3.964 -0.388 1.155 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.974 -1.355 2.448 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.553 -0.536 3.186 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.986 -1.660 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.919 -2.273 3.314 1.00 0.00 H new ATOM 566 N ALA A 35 2.842 -4.263 0.677 1.00 0.00 N ATOM 567 CA ALA A 35 1.641 -4.899 0.054 1.00 0.00 C ATOM 568 C ALA A 35 0.363 -4.521 0.807 1.00 0.00 C ATOM 569 O ALA A 35 0.224 -4.806 1.973 1.00 0.00 O ATOM 570 CB ALA A 35 1.796 -6.410 0.133 1.00 0.00 C ATOM 0 H ALA A 35 3.341 -4.852 1.343 1.00 0.00 H new ATOM 0 HA ALA A 35 1.565 -4.554 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.927 -6.889 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.696 -6.712 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.877 -6.713 1.177 1.00 0.00 H new ATOM 576 N CYS A 36 -0.604 -3.944 0.144 1.00 0.00 N ATOM 577 CA CYS A 36 -1.878 -3.631 0.855 1.00 0.00 C ATOM 578 C CYS A 36 -2.966 -4.490 0.221 1.00 0.00 C ATOM 579 O CYS A 36 -3.191 -4.426 -0.963 1.00 0.00 O ATOM 580 CB CYS A 36 -2.226 -2.141 0.735 1.00 0.00 C ATOM 581 SG CYS A 36 -3.966 -1.875 1.169 1.00 0.00 S ATOM 0 H CYS A 36 -0.570 -3.680 -0.841 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.783 -3.848 1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.585 -1.555 1.393 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.039 -1.796 -0.282 1.00 0.00 H new ATOM 0 HG CYS A 36 -4.058 -0.887 2.008 1.00 0.00 H new ATOM 587 N ILE A 37 -3.622 -5.321 0.977 1.00 0.00 N ATOM 588 CA ILE A 37 -4.656 -6.193 0.358 1.00 0.00 C ATOM 589 C ILE A 37 -5.918 -5.389 0.088 1.00 0.00 C ATOM 590 O ILE A 37 -6.415 -4.692 0.961 1.00 0.00 O ATOM 591 CB ILE A 37 -4.962 -7.390 1.284 1.00 0.00 C ATOM 592 CG1 ILE A 37 -5.199 -8.637 0.434 1.00 0.00 C ATOM 593 CG2 ILE A 37 -6.213 -7.142 2.153 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.609 -8.595 -0.150 1.00 0.00 C ATOM 0 H ILE A 37 -3.491 -5.435 1.982 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.279 -6.577 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.106 -7.523 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.463 -8.688 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.072 -9.533 1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.392 -8.009 2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.055 -6.261 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.077 -6.980 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.778 -9.485 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.338 -8.564 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.719 -7.706 -0.771 1.00 0.00 H new ATOM 606 N VAL A 38 -6.427 -5.496 -1.119 1.00 0.00 N ATOM 607 CA VAL A 38 -7.657 -4.772 -1.507 1.00 0.00 C ATOM 608 C VAL A 38 -8.590 -5.723 -2.285 1.00 0.00 C ATOM 609 O VAL A 38 -8.243 -6.233 -3.339 1.00 0.00 O ATOM 610 CB VAL A 38 -7.253 -3.556 -2.352 1.00 0.00 C ATOM 611 CG1 VAL A 38 -8.095 -3.457 -3.623 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.435 -2.293 -1.513 1.00 0.00 C ATOM 0 H VAL A 38 -6.024 -6.070 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.200 -4.424 -0.628 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.211 -3.667 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.784 -2.585 -4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.956 -4.357 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.147 -3.358 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.151 -1.421 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.479 -2.203 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.805 -2.352 -0.625 1.00 0.00 H new ATOM 622 N GLY A 39 -9.769 -5.934 -1.749 1.00 0.00 N ATOM 623 CA GLY A 39 -10.805 -6.821 -2.377 1.00 0.00 C ATOM 624 C GLY A 39 -10.220 -7.724 -3.466 1.00 0.00 C ATOM 625 O GLY A 39 -9.627 -8.745 -3.184 1.00 0.00 O ATOM 0 H GLY A 39 -10.067 -5.512 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.266 -7.439 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.595 -6.205 -2.806 1.00 0.00 H new ATOM 629 N SER A 40 -10.422 -7.353 -4.707 1.00 0.00 N ATOM 630 CA SER A 40 -9.925 -8.165 -5.863 1.00 0.00 C ATOM 631 C SER A 40 -8.684 -8.973 -5.480 1.00 0.00 C ATOM 632 O SER A 40 -8.680 -10.187 -5.549 1.00 0.00 O ATOM 633 CB SER A 40 -9.576 -7.228 -7.020 1.00 0.00 C ATOM 634 OG SER A 40 -10.392 -6.067 -6.946 1.00 0.00 O ATOM 0 H SER A 40 -10.921 -6.504 -4.973 1.00 0.00 H new ATOM 0 HA SER A 40 -10.711 -8.861 -6.158 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.523 -6.950 -6.973 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.730 -7.735 -7.973 1.00 0.00 H new ATOM 0 HG SER A 40 -10.170 -5.463 -7.685 1.00 0.00 H new ATOM 640 N ILE A 41 -7.627 -8.319 -5.093 1.00 0.00 N ATOM 641 CA ILE A 41 -6.392 -9.056 -4.727 1.00 0.00 C ATOM 642 C ILE A 41 -5.469 -8.111 -3.968 1.00 0.00 C ATOM 643 O ILE A 41 -5.868 -7.040 -3.562 1.00 0.00 O ATOM 644 CB ILE A 41 -5.662 -9.559 -5.980 1.00 0.00 C ATOM 645 CG1 ILE A 41 -6.259 -8.969 -7.272 1.00 0.00 C ATOM 646 CG2 ILE A 41 -5.749 -11.085 -6.040 1.00 0.00 C ATOM 647 CD1 ILE A 41 -5.184 -8.158 -7.993 1.00 0.00 C ATOM 0 H ILE A 41 -7.566 -7.304 -5.015 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.663 -9.915 -4.113 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.624 -9.235 -5.911 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.623 -9.768 -7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.114 -8.335 -7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.231 -11.444 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.283 -11.511 -5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.795 -11.388 -6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.599 -7.737 -8.909 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.841 -7.351 -7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.343 -8.807 -8.240 1.00 0.00 H new ATOM 659 N VAL A 42 -4.234 -8.485 -3.775 1.00 0.00 N ATOM 660 CA VAL A 42 -3.312 -7.579 -3.043 1.00 0.00 C ATOM 661 C VAL A 42 -2.616 -6.644 -4.015 1.00 0.00 C ATOM 662 O VAL A 42 -2.095 -7.047 -5.037 1.00 0.00 O ATOM 663 CB VAL A 42 -2.231 -8.360 -2.305 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.903 -7.656 -0.989 1.00 0.00 C ATOM 665 CG2 VAL A 42 -2.707 -9.788 -2.029 1.00 0.00 C ATOM 0 H VAL A 42 -3.830 -9.367 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.915 -7.021 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.335 -8.404 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.130 -8.214 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.545 -6.647 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.799 -7.604 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.926 -10.336 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.608 -9.759 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.926 -10.287 -2.973 1.00 0.00 H new ATOM 675 N THR A 43 -2.570 -5.406 -3.666 1.00 0.00 N ATOM 676 CA THR A 43 -1.872 -4.407 -4.507 1.00 0.00 C ATOM 677 C THR A 43 -0.813 -3.737 -3.630 1.00 0.00 C ATOM 678 O THR A 43 -1.116 -2.986 -2.720 1.00 0.00 O ATOM 679 CB THR A 43 -2.873 -3.372 -5.041 1.00 0.00 C ATOM 680 OG1 THR A 43 -3.543 -3.909 -6.172 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.138 -2.091 -5.448 1.00 0.00 C ATOM 0 H THR A 43 -2.993 -5.030 -2.817 1.00 0.00 H new ATOM 0 HA THR A 43 -1.404 -4.882 -5.369 1.00 0.00 H new ATOM 0 HB THR A 43 -3.595 -3.136 -4.259 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.352 -3.356 -6.958 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.857 -1.363 -5.825 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.623 -1.676 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.411 -2.321 -6.227 1.00 0.00 H new ATOM 689 N GLU A 44 0.428 -4.040 -3.868 1.00 0.00 N ATOM 690 CA GLU A 44 1.503 -3.447 -3.032 1.00 0.00 C ATOM 691 C GLU A 44 1.980 -2.136 -3.641 1.00 0.00 C ATOM 692 O GLU A 44 1.433 -1.640 -4.605 1.00 0.00 O ATOM 693 CB GLU A 44 2.686 -4.414 -2.946 1.00 0.00 C ATOM 694 CG GLU A 44 3.271 -4.633 -4.343 1.00 0.00 C ATOM 695 CD GLU A 44 3.476 -6.129 -4.583 1.00 0.00 C ATOM 696 OE1 GLU A 44 4.127 -6.757 -3.763 1.00 0.00 O ATOM 697 OE2 GLU A 44 2.981 -6.623 -5.582 1.00 0.00 O ATOM 0 H GLU A 44 0.745 -4.671 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 44 1.104 -3.260 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.449 -4.013 -2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.362 -5.365 -2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.601 -4.222 -5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.220 -4.106 -4.438 1.00 0.00 H new ATOM 704 N GLY A 45 3.008 -1.580 -3.074 1.00 0.00 N ATOM 705 CA GLY A 45 3.556 -0.299 -3.596 1.00 0.00 C ATOM 706 C GLY A 45 5.023 -0.218 -3.200 1.00 0.00 C ATOM 707 O GLY A 45 5.522 -1.078 -2.512 1.00 0.00 O ATOM 0 H GLY A 45 3.498 -1.960 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.451 -0.253 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.004 0.547 -3.186 1.00 0.00 H new ATOM 711 N GLU A 46 5.725 0.792 -3.625 1.00 0.00 N ATOM 712 CA GLU A 46 7.161 0.887 -3.252 1.00 0.00 C ATOM 713 C GLU A 46 7.451 2.269 -2.670 1.00 0.00 C ATOM 714 O GLU A 46 7.738 3.209 -3.386 1.00 0.00 O ATOM 715 CB GLU A 46 8.041 0.651 -4.481 1.00 0.00 C ATOM 716 CG GLU A 46 7.234 0.874 -5.765 1.00 0.00 C ATOM 717 CD GLU A 46 8.095 0.509 -6.976 1.00 0.00 C ATOM 718 OE1 GLU A 46 8.968 1.291 -7.315 1.00 0.00 O ATOM 719 OE2 GLU A 46 7.866 -0.546 -7.544 1.00 0.00 O ATOM 0 H GLU A 46 5.371 1.550 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 46 7.384 0.125 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.896 1.326 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.436 -0.365 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.330 0.264 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.916 1.914 -5.832 1.00 0.00 H new ATOM 726 N GLY A 47 7.387 2.397 -1.375 1.00 0.00 N ATOM 727 CA GLY A 47 7.669 3.718 -0.744 1.00 0.00 C ATOM 728 C GLY A 47 9.148 3.791 -0.379 1.00 0.00 C ATOM 729 O GLY A 47 9.929 2.936 -0.744 1.00 0.00 O ATOM 0 H GLY A 47 7.152 1.646 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.411 4.525 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.055 3.848 0.147 1.00 0.00 H new ATOM 798 N VAL A 52 7.412 5.130 5.797 1.00 0.00 N ATOM 799 CA VAL A 52 6.840 5.588 4.501 1.00 0.00 C ATOM 800 C VAL A 52 6.252 4.395 3.745 1.00 0.00 C ATOM 801 O VAL A 52 5.203 4.480 3.144 1.00 0.00 O ATOM 802 CB VAL A 52 7.960 6.230 3.673 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.800 5.153 2.979 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.350 7.159 2.621 1.00 0.00 C ATOM 0 HA VAL A 52 6.047 6.314 4.679 1.00 0.00 H new ATOM 0 HB VAL A 52 8.605 6.802 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.590 5.627 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.245 4.499 3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.164 4.565 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.146 7.615 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.697 6.585 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.772 7.939 3.116 1.00 0.00 H new ATOM 814 N SER A 53 6.937 3.290 3.768 1.00 0.00 N ATOM 815 CA SER A 53 6.449 2.079 3.046 1.00 0.00 C ATOM 816 C SER A 53 4.932 1.939 3.196 1.00 0.00 C ATOM 817 O SER A 53 4.230 1.678 2.242 1.00 0.00 O ATOM 818 CB SER A 53 7.131 0.837 3.619 1.00 0.00 C ATOM 819 OG SER A 53 8.381 1.208 4.184 1.00 0.00 O ATOM 0 H SER A 53 7.823 3.169 4.260 1.00 0.00 H new ATOM 0 HA SER A 53 6.690 2.181 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.498 0.377 4.378 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.279 0.095 2.835 1.00 0.00 H new ATOM 0 HG SER A 53 8.747 0.454 4.692 1.00 0.00 H new ATOM 825 N LYS A 54 4.423 2.099 4.385 1.00 0.00 N ATOM 826 CA LYS A 54 2.950 1.963 4.593 1.00 0.00 C ATOM 827 C LYS A 54 2.204 3.029 3.785 1.00 0.00 C ATOM 828 O LYS A 54 1.352 2.720 2.977 1.00 0.00 O ATOM 829 CB LYS A 54 2.628 2.133 6.079 1.00 0.00 C ATOM 830 CG LYS A 54 1.832 0.921 6.572 1.00 0.00 C ATOM 831 CD LYS A 54 2.430 0.420 7.889 1.00 0.00 C ATOM 832 CE LYS A 54 1.846 -0.953 8.227 1.00 0.00 C ATOM 833 NZ LYS A 54 2.449 -1.452 9.495 1.00 0.00 N ATOM 0 H LYS A 54 4.961 2.318 5.223 1.00 0.00 H new ATOM 0 HA LYS A 54 2.633 0.975 4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.550 2.234 6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.054 3.046 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.786 1.193 6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.856 0.128 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.515 0.355 7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.213 1.126 8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.763 -0.884 8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.045 -1.654 7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.052 -2.385 9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.480 -1.533 9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.237 -0.787 10.266 1.00 0.00 H new ATOM 847 N LYS A 55 2.509 4.278 3.998 1.00 0.00 N ATOM 848 CA LYS A 55 1.809 5.359 3.244 1.00 0.00 C ATOM 849 C LYS A 55 1.954 5.114 1.738 1.00 0.00 C ATOM 850 O LYS A 55 0.988 4.863 1.043 1.00 0.00 O ATOM 851 CB LYS A 55 2.427 6.711 3.607 1.00 0.00 C ATOM 852 CG LYS A 55 1.947 7.779 2.621 1.00 0.00 C ATOM 853 CD LYS A 55 3.146 8.341 1.855 1.00 0.00 C ATOM 854 CE LYS A 55 3.809 9.445 2.682 1.00 0.00 C ATOM 855 NZ LYS A 55 5.179 9.705 2.155 1.00 0.00 N ATOM 0 H LYS A 55 3.213 4.599 4.662 1.00 0.00 H new ATOM 0 HA LYS A 55 0.751 5.360 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.147 6.989 4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.515 6.643 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.226 7.349 1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.436 8.579 3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.863 7.547 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.823 8.737 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.212 10.356 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.861 9.148 3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.826 9.893 2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.511 8.873 1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.157 10.531 1.523 1.00 0.00 H new ATOM 869 N ARG A 56 3.152 5.193 1.229 1.00 0.00 N ATOM 870 CA ARG A 56 3.362 4.971 -0.228 1.00 0.00 C ATOM 871 C ARG A 56 2.552 3.758 -0.691 1.00 0.00 C ATOM 872 O ARG A 56 1.939 3.777 -1.737 1.00 0.00 O ATOM 873 CB ARG A 56 4.847 4.725 -0.495 1.00 0.00 C ATOM 874 CG ARG A 56 5.523 6.051 -0.848 1.00 0.00 C ATOM 875 CD ARG A 56 5.279 6.373 -2.325 1.00 0.00 C ATOM 876 NE ARG A 56 5.798 7.737 -2.634 1.00 0.00 N ATOM 877 CZ ARG A 56 5.699 8.692 -1.750 1.00 0.00 C ATOM 878 NH1 ARG A 56 4.530 9.017 -1.270 1.00 0.00 N ATOM 879 NH2 ARG A 56 6.768 9.320 -1.344 1.00 0.00 N ATOM 0 H ARG A 56 3.997 5.402 1.761 1.00 0.00 H new ATOM 0 HA ARG A 56 3.032 5.853 -0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.319 4.286 0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.969 4.013 -1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.129 6.850 -0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.593 5.989 -0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.774 5.634 -2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.213 6.320 -2.548 1.00 0.00 H new ATOM 0 HE ARG A 56 6.231 7.924 -3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.694 8.525 -1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.452 9.763 -0.579 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.682 9.065 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.690 10.066 -0.653 1.00 0.00 H new ATOM 893 N ALA A 57 2.539 2.703 0.079 1.00 0.00 N ATOM 894 CA ALA A 57 1.760 1.500 -0.325 1.00 0.00 C ATOM 895 C ALA A 57 0.291 1.896 -0.487 1.00 0.00 C ATOM 896 O ALA A 57 -0.357 1.538 -1.447 1.00 0.00 O ATOM 897 CB ALA A 57 1.876 0.412 0.748 1.00 0.00 C ATOM 0 H ALA A 57 3.033 2.623 0.968 1.00 0.00 H new ATOM 0 HA ALA A 57 2.152 1.112 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.303 -0.463 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.923 0.134 0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.485 0.790 1.693 1.00 0.00 H new ATOM 903 N ALA A 58 -0.234 2.628 0.459 1.00 0.00 N ATOM 904 CA ALA A 58 -1.662 3.053 0.391 1.00 0.00 C ATOM 905 C ALA A 58 -1.900 3.911 -0.852 1.00 0.00 C ATOM 906 O ALA A 58 -2.724 3.588 -1.686 1.00 0.00 O ATOM 907 CB ALA A 58 -2.010 3.866 1.640 1.00 0.00 C ATOM 0 H ALA A 58 0.271 2.953 1.284 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.293 2.166 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.053 4.178 1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.855 3.253 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.370 4.747 1.691 1.00 0.00 H new ATOM 913 N GLU A 59 -1.194 5.002 -0.993 1.00 0.00 N ATOM 914 CA GLU A 59 -1.407 5.849 -2.198 1.00 0.00 C ATOM 915 C GLU A 59 -1.377 4.943 -3.421 1.00 0.00 C ATOM 916 O GLU A 59 -2.160 5.084 -4.334 1.00 0.00 O ATOM 917 CB GLU A 59 -0.302 6.898 -2.314 1.00 0.00 C ATOM 918 CG GLU A 59 -0.696 8.144 -1.518 1.00 0.00 C ATOM 919 CD GLU A 59 -1.060 9.274 -2.482 1.00 0.00 C ATOM 920 OE1 GLU A 59 -0.156 9.825 -3.086 1.00 0.00 O ATOM 921 OE2 GLU A 59 -2.238 9.568 -2.599 1.00 0.00 O ATOM 0 H GLU A 59 -0.490 5.338 -0.336 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.364 6.365 -2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.638 6.495 -1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.141 7.158 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.542 7.920 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.128 8.452 -0.874 1.00 0.00 H new ATOM 928 N LYS A 60 -0.480 4.001 -3.428 1.00 0.00 N ATOM 929 CA LYS A 60 -0.389 3.057 -4.573 1.00 0.00 C ATOM 930 C LYS A 60 -1.722 2.317 -4.709 1.00 0.00 C ATOM 931 O LYS A 60 -2.240 2.138 -5.793 1.00 0.00 O ATOM 932 CB LYS A 60 0.734 2.052 -4.302 1.00 0.00 C ATOM 933 CG LYS A 60 1.788 2.151 -5.406 1.00 0.00 C ATOM 934 CD LYS A 60 1.265 1.472 -6.673 1.00 0.00 C ATOM 935 CE LYS A 60 2.392 1.372 -7.701 1.00 0.00 C ATOM 936 NZ LYS A 60 3.254 2.585 -7.610 1.00 0.00 N ATOM 0 H LYS A 60 0.200 3.843 -2.684 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.176 3.599 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.189 2.252 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.329 1.041 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.019 3.196 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.715 1.677 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.886 0.478 -6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.432 2.041 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.986 0.476 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.977 1.282 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.819 2.675 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.656 3.428 -7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.889 2.499 -6.791 1.00 0.00 H new ATOM 950 N MET A 61 -2.274 1.887 -3.608 1.00 0.00 N ATOM 951 CA MET A 61 -3.569 1.156 -3.641 1.00 0.00 C ATOM 952 C MET A 61 -4.697 2.092 -4.077 1.00 0.00 C ATOM 953 O MET A 61 -5.238 1.972 -5.158 1.00 0.00 O ATOM 954 CB MET A 61 -3.884 0.636 -2.241 1.00 0.00 C ATOM 955 CG MET A 61 -5.273 0.008 -2.248 1.00 0.00 C ATOM 956 SD MET A 61 -5.242 -1.451 -3.311 1.00 0.00 S ATOM 957 CE MET A 61 -4.269 -2.483 -2.192 1.00 0.00 C ATOM 0 H MET A 61 -1.877 2.013 -2.677 1.00 0.00 H new ATOM 0 HA MET A 61 -3.490 0.331 -4.349 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.140 -0.099 -1.936 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.842 1.451 -1.518 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.568 -0.268 -1.236 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.010 0.724 -2.611 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.234 -3.503 -2.575 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.256 -2.087 -2.121 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.729 -2.482 -1.204 1.00 0.00 H new ATOM 967 N LEU A 62 -5.068 3.013 -3.235 1.00 0.00 N ATOM 968 CA LEU A 62 -6.172 3.943 -3.598 1.00 0.00 C ATOM 969 C LEU A 62 -5.940 4.444 -5.020 1.00 0.00 C ATOM 970 O LEU A 62 -6.739 4.228 -5.911 1.00 0.00 O ATOM 971 CB LEU A 62 -6.188 5.120 -2.627 1.00 0.00 C ATOM 972 CG LEU A 62 -6.395 4.654 -1.167 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.384 5.601 -0.501 1.00 0.00 C ATOM 974 CD2 LEU A 62 -6.972 3.222 -1.067 1.00 0.00 C ATOM 0 H LEU A 62 -4.657 3.162 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.131 3.427 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.249 5.668 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.984 5.810 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.419 4.657 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.546 5.291 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.984 6.615 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.331 5.576 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.095 2.952 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.940 3.184 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.289 2.520 -1.545 1.00 0.00 H new ATOM 986 N VAL A 63 -4.838 5.094 -5.245 1.00 0.00 N ATOM 987 CA VAL A 63 -4.539 5.589 -6.612 1.00 0.00 C ATOM 988 C VAL A 63 -4.758 4.446 -7.604 1.00 0.00 C ATOM 989 O VAL A 63 -5.267 4.638 -8.688 1.00 0.00 O ATOM 990 CB VAL A 63 -3.083 6.048 -6.673 1.00 0.00 C ATOM 991 CG1 VAL A 63 -2.735 6.438 -8.103 1.00 0.00 C ATOM 992 CG2 VAL A 63 -2.888 7.252 -5.749 1.00 0.00 C ATOM 0 H VAL A 63 -4.130 5.304 -4.541 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.191 6.426 -6.861 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.431 5.237 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.696 6.766 -8.148 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.873 5.578 -8.758 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.386 7.250 -8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.849 7.580 -5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.539 8.066 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.137 6.970 -4.726 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.374 3.255 -7.231 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.556 2.085 -8.138 1.00 0.00 C ATOM 1004 C GLU A 64 -6.037 1.928 -8.497 1.00 0.00 C ATOM 1005 O GLU A 64 -6.430 2.134 -9.627 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.065 0.810 -7.446 1.00 0.00 C ATOM 1007 CG GLU A 64 -2.767 0.335 -8.102 1.00 0.00 C ATOM 1008 CD GLU A 64 -3.071 -0.822 -9.055 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -3.578 -0.559 -10.133 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -2.791 -1.952 -8.691 1.00 0.00 O ATOM 0 H GLU A 64 -3.940 3.041 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.979 2.251 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.899 1.001 -6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.825 0.032 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.301 1.156 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.057 0.015 -7.339 1.00 0.00 H new ATOM 1017 N LEU A 65 -6.865 1.547 -7.556 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.310 1.367 -7.889 1.00 0.00 C ATOM 1019 C LEU A 65 -8.803 2.559 -8.714 1.00 0.00 C ATOM 1020 O LEU A 65 -9.643 2.414 -9.581 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.182 1.235 -6.631 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.464 1.768 -5.396 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.452 2.570 -4.548 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -7.938 0.586 -4.581 1.00 0.00 C ATOM 0 H LEU A 65 -6.608 1.356 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.398 0.443 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.115 1.780 -6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.445 0.188 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.635 2.410 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.944 2.954 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.841 3.403 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.276 1.925 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.422 0.956 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.772 -0.047 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.244 0.005 -5.189 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.300 3.739 -8.459 1.00 0.00 N ATOM 1037 CA GLN A 66 -8.768 4.917 -9.246 1.00 0.00 C ATOM 1038 C GLN A 66 -8.387 4.735 -10.716 1.00 0.00 C ATOM 1039 O GLN A 66 -9.179 4.969 -11.608 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.123 6.201 -8.708 1.00 0.00 C ATOM 1041 CG GLN A 66 -8.468 6.405 -7.222 1.00 0.00 C ATOM 1042 CD GLN A 66 -9.824 5.835 -6.892 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -10.788 6.031 -7.605 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -9.926 5.129 -5.818 1.00 0.00 N ATOM 0 H GLN A 66 -7.595 3.936 -7.749 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.851 4.996 -9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.041 6.149 -8.831 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.469 7.057 -9.287 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.710 5.928 -6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.451 7.469 -6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.107 4.974 -5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.826 4.726 -5.556 1.00 0.00 H new ATOM 1053 N LYS A 67 -7.178 4.321 -10.979 1.00 0.00 N ATOM 1054 CA LYS A 67 -6.746 4.127 -12.393 1.00 0.00 C ATOM 1055 C LYS A 67 -7.628 3.069 -13.054 1.00 0.00 C ATOM 1056 O LYS A 67 -8.127 3.255 -14.145 1.00 0.00 O ATOM 1057 CB LYS A 67 -5.287 3.667 -12.421 1.00 0.00 C ATOM 1058 CG LYS A 67 -4.385 4.805 -11.936 1.00 0.00 C ATOM 1059 CD LYS A 67 -3.091 4.816 -12.752 1.00 0.00 C ATOM 1060 CE LYS A 67 -2.340 6.124 -12.500 1.00 0.00 C ATOM 1061 NZ LYS A 67 -1.104 5.843 -11.716 1.00 0.00 N ATOM 0 H LYS A 67 -6.470 4.108 -10.276 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.840 5.068 -12.935 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.158 2.791 -11.786 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.007 3.372 -13.432 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.900 5.760 -12.039 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.158 4.677 -10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.467 3.967 -12.475 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.317 4.713 -13.813 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.083 6.597 -13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.977 6.823 -11.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.592 6.732 -11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.361 5.410 -10.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.495 5.191 -12.250 1.00 0.00 H new ATOM 1075 N LEU A 68 -7.818 1.960 -12.401 1.00 0.00 N ATOM 1076 CA LEU A 68 -8.661 0.885 -12.982 1.00 0.00 C ATOM 1077 C LEU A 68 -10.138 1.258 -12.837 1.00 0.00 C ATOM 1078 O LEU A 68 -10.442 2.073 -11.982 1.00 0.00 O ATOM 1079 CB LEU A 68 -8.384 -0.419 -12.236 1.00 0.00 C ATOM 1080 CG LEU A 68 -6.879 -0.564 -12.006 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -6.571 -1.976 -11.508 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -6.136 -0.315 -13.321 1.00 0.00 C ATOM 1083 OXT LEU A 68 -10.940 0.721 -13.583 1.00 0.00 O ATOM 0 H LEU A 68 -7.423 1.752 -11.484 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.427 0.761 -14.039 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.911 -0.424 -11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.758 -1.266 -12.811 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.555 0.162 -11.261 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.498 -2.078 -11.344 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.099 -2.155 -10.572 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.895 -2.703 -12.252 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.063 -0.418 -13.158 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.461 -1.041 -14.066 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.354 0.692 -13.677 1.00 0.00 H new