USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 532 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 4 MET CE :methyl -173:sc= -0.442 (180deg=-0.752) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= -0.0872 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -0.0401 X(o=-0.2,f=-0.54) USER MOD Set 2.2: A 28 MET CE :methyl 159:sc= -0.163 (180deg=-0.0279) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.543! (180deg=-0.815!) USER MOD Single : A 2 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0538) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.893! (180deg=-1.71!) USER MOD Single : A 8 THR OG1 : rot 2:sc= 0.528 USER MOD Single : A 10 THR OG1 : rot 18:sc= 0.772 USER MOD Single : A 13 SER OG : rot 180:sc= -1.76! USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -140:sc= 0.322 (180deg=-0.561) USER MOD Single : A 30 ASN : amide:sc= 0.209 K(o=0.21,f=-12!) USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= 0.389 (180deg=-0.104) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.54 X(o=-0.54,f=-0.86) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 146:sc= -0.404 (180deg=-1.83!) USER MOD Single : A 55 THR OG1 : rot -87:sc= 0.241 USER MOD Single : A 65 LYS NZ :NH3+ 167:sc= 0.991 (180deg=0.739) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.222 1.807 -2.497 1.00 0.00 N ATOM 2 CA MET A 1 2.161 0.814 -1.396 1.00 0.00 C ATOM 3 C MET A 1 1.846 -0.558 -1.975 1.00 0.00 C ATOM 4 O MET A 1 0.997 -0.671 -2.851 1.00 0.00 O ATOM 5 CB MET A 1 1.080 1.208 -0.376 1.00 0.00 C ATOM 6 CG MET A 1 1.215 2.631 0.156 1.00 0.00 C ATOM 7 SD MET A 1 1.051 3.871 -1.146 1.00 0.00 S ATOM 8 CE MET A 1 1.179 5.390 -0.205 1.00 0.00 C ATOM 0 H1 MET A 1 3.130 2.313 -2.458 1.00 0.00 H new ATOM 0 H2 MET A 1 2.137 1.318 -3.411 1.00 0.00 H new ATOM 0 H3 MET A 1 1.442 2.487 -2.394 1.00 0.00 H new ATOM 0 HA MET A 1 3.125 0.787 -0.887 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.100 1.096 -0.840 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.117 0.513 0.463 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.455 2.805 0.917 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.184 2.744 0.642 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.095 6.243 -0.878 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.378 5.430 0.533 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.142 5.423 0.304 1.00 0.00 H new ATOM 18 N LYS A 2 2.517 -1.592 -1.479 1.00 0.00 N ATOM 19 CA LYS A 2 2.408 -2.934 -2.033 1.00 0.00 C ATOM 20 C LYS A 2 1.637 -3.845 -1.083 1.00 0.00 C ATOM 21 O LYS A 2 1.747 -3.718 0.139 1.00 0.00 O ATOM 22 CB LYS A 2 3.809 -3.505 -2.279 1.00 0.00 C ATOM 23 CG LYS A 2 4.623 -2.731 -3.316 1.00 0.00 C ATOM 24 CD LYS A 2 6.043 -3.283 -3.464 1.00 0.00 C ATOM 25 CE LYS A 2 6.061 -4.705 -4.023 1.00 0.00 C ATOM 26 NZ LYS A 2 5.571 -4.767 -5.427 1.00 0.00 N ATOM 0 H LYS A 2 3.151 -1.522 -0.683 1.00 0.00 H new ATOM 0 HA LYS A 2 1.866 -2.880 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.356 -3.515 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.716 -4.541 -2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.116 -2.774 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.671 -1.681 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.617 -2.630 -4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.537 -3.271 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.077 -5.098 -3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.442 -5.347 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.743 -5.717 -5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.551 -4.564 -5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.076 -4.063 -6.002 1.00 0.00 H new ATOM 40 N VAL A 3 0.856 -4.756 -1.650 1.00 0.00 N ATOM 41 CA VAL A 3 0.093 -5.723 -0.871 1.00 0.00 C ATOM 42 C VAL A 3 -0.019 -7.037 -1.643 1.00 0.00 C ATOM 43 O VAL A 3 -0.164 -7.035 -2.870 1.00 0.00 O ATOM 44 CB VAL A 3 -1.325 -5.188 -0.539 1.00 0.00 C ATOM 45 CG1 VAL A 3 -2.161 -5.010 -1.806 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.031 -6.099 0.464 1.00 0.00 C ATOM 0 H VAL A 3 0.734 -4.845 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 3 0.620 -5.892 0.068 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.212 -4.206 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.149 -4.634 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.669 -4.299 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.262 -5.970 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.023 -5.702 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.124 -7.100 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.450 -6.145 1.385 1.00 0.00 H new ATOM 56 N MET A 4 0.067 -8.157 -0.934 1.00 0.00 N ATOM 57 CA MET A 4 -0.017 -9.469 -1.569 1.00 0.00 C ATOM 58 C MET A 4 -1.404 -10.067 -1.364 1.00 0.00 C ATOM 59 O MET A 4 -1.795 -10.386 -0.238 1.00 0.00 O ATOM 60 CB MET A 4 1.055 -10.416 -1.010 1.00 0.00 C ATOM 61 CG MET A 4 1.075 -11.783 -1.690 1.00 0.00 C ATOM 62 SD MET A 4 2.347 -12.881 -1.030 1.00 0.00 S ATOM 63 CE MET A 4 3.832 -11.933 -1.378 1.00 0.00 C ATOM 0 H MET A 4 0.194 -8.184 0.078 1.00 0.00 H new ATOM 0 HA MET A 4 0.160 -9.343 -2.637 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.034 -9.950 -1.121 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.886 -10.553 0.058 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.099 -12.255 -1.573 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.238 -11.648 -2.759 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.711 -12.533 -1.142 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.851 -11.661 -2.433 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.837 -11.028 -0.770 1.00 0.00 H new ATOM 73 N ILE A 5 -2.150 -10.197 -2.455 1.00 0.00 N ATOM 74 CA ILE A 5 -3.481 -10.789 -2.419 1.00 0.00 C ATOM 75 C ILE A 5 -3.391 -12.270 -2.780 1.00 0.00 C ATOM 76 O ILE A 5 -2.862 -12.628 -3.836 1.00 0.00 O ATOM 77 CB ILE A 5 -4.443 -10.071 -3.397 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.442 -8.553 -3.132 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.858 -10.643 -3.281 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.915 -8.161 -1.746 1.00 0.00 C ATOM 0 H ILE A 5 -1.852 -9.897 -3.383 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.878 -10.676 -1.410 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.093 -10.242 -4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.432 -8.171 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.078 -8.067 -3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.518 -10.125 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.841 -11.706 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.224 -10.506 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.883 -7.076 -1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.937 -8.509 -1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.265 -8.615 -0.998 1.00 0.00 H new ATOM 92 N ARG A 6 -3.897 -13.126 -1.901 1.00 0.00 N ATOM 93 CA ARG A 6 -3.788 -14.568 -2.079 1.00 0.00 C ATOM 94 C ARG A 6 -5.061 -15.136 -2.697 1.00 0.00 C ATOM 95 O ARG A 6 -6.149 -15.039 -2.121 1.00 0.00 O ATOM 96 CB ARG A 6 -3.508 -15.244 -0.732 1.00 0.00 C ATOM 97 CG ARG A 6 -2.250 -14.725 -0.042 1.00 0.00 C ATOM 98 CD ARG A 6 -2.038 -15.376 1.320 1.00 0.00 C ATOM 99 NE ARG A 6 -0.865 -14.829 2.004 1.00 0.00 N ATOM 100 CZ ARG A 6 -0.614 -14.978 3.303 1.00 0.00 C ATOM 101 NH1 ARG A 6 -1.417 -15.708 4.069 1.00 0.00 N ATOM 102 NH2 ARG A 6 0.460 -14.407 3.830 1.00 0.00 N ATOM 0 H ARG A 6 -4.389 -12.844 -1.053 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.959 -14.769 -2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.363 -15.092 -0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.411 -16.319 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.384 -14.917 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.322 -13.644 0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.923 -15.224 1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.917 -16.452 1.194 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.195 -14.298 1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.236 -16.161 3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.215 -15.815 5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.087 -13.858 3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.660 -14.516 4.824 1.00 0.00 H new ATOM 116 N LYS A 7 -4.909 -15.720 -3.878 1.00 0.00 N ATOM 117 CA LYS A 7 -6.006 -16.369 -4.579 1.00 0.00 C ATOM 118 C LYS A 7 -5.953 -17.873 -4.338 1.00 0.00 C ATOM 119 O LYS A 7 -4.988 -18.532 -4.723 1.00 0.00 O ATOM 120 CB LYS A 7 -5.915 -16.073 -6.085 1.00 0.00 C ATOM 121 CG LYS A 7 -6.159 -14.610 -6.451 1.00 0.00 C ATOM 122 CD LYS A 7 -7.645 -14.235 -6.398 1.00 0.00 C ATOM 123 CE LYS A 7 -8.405 -14.649 -7.665 1.00 0.00 C ATOM 124 NZ LYS A 7 -8.403 -16.120 -7.890 1.00 0.00 N ATOM 0 H LYS A 7 -4.020 -15.757 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.952 -15.981 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.928 -16.366 -6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.641 -16.693 -6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.601 -13.969 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.774 -14.420 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.105 -14.710 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.739 -13.158 -6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.435 -14.299 -7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.959 -14.154 -8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.160 -16.370 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.485 -16.410 -8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.563 -16.610 -6.986 1.00 0.00 H new ATOM 138 N THR A 8 -6.980 -18.406 -3.688 1.00 0.00 N ATOM 139 CA THR A 8 -7.086 -19.844 -3.454 1.00 0.00 C ATOM 140 C THR A 8 -8.499 -20.323 -3.778 1.00 0.00 C ATOM 141 O THR A 8 -9.427 -19.512 -3.870 1.00 0.00 O ATOM 142 CB THR A 8 -6.708 -20.211 -1.992 1.00 0.00 C ATOM 143 OG1 THR A 8 -7.323 -19.295 -1.074 1.00 0.00 O ATOM 144 CG2 THR A 8 -5.194 -20.192 -1.789 1.00 0.00 C ATOM 0 H THR A 8 -7.756 -17.862 -3.311 1.00 0.00 H new ATOM 0 HA THR A 8 -6.379 -20.348 -4.113 1.00 0.00 H new ATOM 0 HB THR A 8 -7.072 -21.221 -1.800 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.876 -18.656 -1.570 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.962 -20.453 -0.756 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.728 -20.914 -2.459 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.810 -19.195 -2.006 1.00 0.00 H new ATOM 152 N ALA A 9 -8.658 -21.630 -3.976 1.00 0.00 N ATOM 153 CA ALA A 9 -9.954 -22.210 -4.323 1.00 0.00 C ATOM 154 C ALA A 9 -10.997 -21.890 -3.251 1.00 0.00 C ATOM 155 O ALA A 9 -10.877 -22.346 -2.111 1.00 0.00 O ATOM 156 CB ALA A 9 -9.823 -23.715 -4.520 1.00 0.00 C ATOM 0 H ALA A 9 -7.902 -22.310 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.291 -21.768 -5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.796 -24.134 -4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.116 -23.916 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.464 -24.173 -3.598 1.00 0.00 H new ATOM 162 N THR A 10 -11.992 -21.078 -3.628 1.00 0.00 N ATOM 163 CA THR A 10 -13.055 -20.620 -2.722 1.00 0.00 C ATOM 164 C THR A 10 -12.481 -19.990 -1.448 1.00 0.00 C ATOM 165 O THR A 10 -13.157 -19.899 -0.420 1.00 0.00 O ATOM 166 CB THR A 10 -14.053 -21.758 -2.362 1.00 0.00 C ATOM 167 OG1 THR A 10 -13.363 -22.904 -1.839 1.00 0.00 O ATOM 168 CG2 THR A 10 -14.868 -22.170 -3.583 1.00 0.00 C ATOM 0 H THR A 10 -12.084 -20.717 -4.578 1.00 0.00 H new ATOM 0 HA THR A 10 -13.609 -19.853 -3.263 1.00 0.00 H new ATOM 0 HB THR A 10 -14.726 -21.372 -1.596 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.463 -22.642 -1.553 1.00 0.00 H new ATOM 0 HG21 THR A 10 -15.559 -22.967 -3.307 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.431 -21.312 -3.951 1.00 0.00 H new ATOM 0 HG23 THR A 10 -14.197 -22.526 -4.365 1.00 0.00 H new ATOM 176 N GLY A 11 -11.239 -19.522 -1.543 1.00 0.00 N ATOM 177 CA GLY A 11 -10.582 -18.882 -0.421 1.00 0.00 C ATOM 178 C GLY A 11 -9.940 -17.577 -0.835 1.00 0.00 C ATOM 179 O GLY A 11 -9.284 -17.506 -1.880 1.00 0.00 O ATOM 0 H GLY A 11 -10.672 -19.577 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.307 -18.698 0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.824 -19.549 -0.011 1.00 0.00 H new ATOM 183 N HIS A 12 -10.129 -16.541 -0.034 1.00 0.00 N ATOM 184 CA HIS A 12 -9.597 -15.220 -0.347 1.00 0.00 C ATOM 185 C HIS A 12 -8.927 -14.626 0.887 1.00 0.00 C ATOM 186 O HIS A 12 -9.578 -14.410 1.909 1.00 0.00 O ATOM 187 CB HIS A 12 -10.715 -14.281 -0.831 1.00 0.00 C ATOM 188 CG HIS A 12 -11.461 -14.774 -2.039 1.00 0.00 C ATOM 189 ND1 HIS A 12 -12.827 -14.944 -2.061 1.00 0.00 N ATOM 190 CD2 HIS A 12 -11.026 -15.105 -3.279 1.00 0.00 C ATOM 191 CE1 HIS A 12 -13.199 -15.358 -3.256 1.00 0.00 C ATOM 192 NE2 HIS A 12 -12.128 -15.463 -4.017 1.00 0.00 N ATOM 0 H HIS A 12 -10.649 -16.588 0.842 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.863 -15.326 -1.146 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.424 -14.131 -0.017 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.281 -13.307 -1.059 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.002 -15.090 -3.623 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.212 -15.575 -3.561 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -12.119 -15.761 -4.993 1.00 0.00 H new ATOM 201 N SER A 13 -7.629 -14.373 0.792 1.00 0.00 N ATOM 202 CA SER A 13 -6.870 -13.783 1.891 1.00 0.00 C ATOM 203 C SER A 13 -5.947 -12.688 1.362 1.00 0.00 C ATOM 204 O SER A 13 -5.676 -12.625 0.160 1.00 0.00 O ATOM 205 CB SER A 13 -6.072 -14.872 2.623 1.00 0.00 C ATOM 206 OG SER A 13 -5.349 -15.684 1.711 1.00 0.00 O ATOM 0 H SER A 13 -7.074 -14.568 -0.041 1.00 0.00 H new ATOM 0 HA SER A 13 -7.561 -13.330 2.602 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.381 -14.408 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.752 -15.493 3.206 1.00 0.00 H new ATOM 0 HG SER A 13 -4.850 -16.367 2.206 1.00 0.00 H new ATOM 212 N ALA A 14 -5.480 -11.820 2.253 1.00 0.00 N ATOM 213 CA ALA A 14 -4.610 -10.714 1.869 1.00 0.00 C ATOM 214 C ALA A 14 -3.605 -10.416 2.975 1.00 0.00 C ATOM 215 O ALA A 14 -3.915 -10.568 4.161 1.00 0.00 O ATOM 216 CB ALA A 14 -5.441 -9.477 1.550 1.00 0.00 C ATOM 0 H ALA A 14 -5.690 -11.861 3.250 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.057 -11.000 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.780 -8.658 1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.121 -9.698 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.017 -9.189 2.429 1.00 0.00 H new ATOM 222 N TYR A 15 -2.404 -10.000 2.584 1.00 0.00 N ATOM 223 CA TYR A 15 -1.345 -9.699 3.538 1.00 0.00 C ATOM 224 C TYR A 15 -0.732 -8.324 3.262 1.00 0.00 C ATOM 225 O TYR A 15 -0.061 -8.120 2.244 1.00 0.00 O ATOM 226 CB TYR A 15 -0.257 -10.784 3.491 1.00 0.00 C ATOM 227 CG TYR A 15 0.878 -10.553 4.474 1.00 0.00 C ATOM 228 CD1 TYR A 15 0.621 -10.387 5.829 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.202 -10.499 4.048 1.00 0.00 C ATOM 230 CE1 TYR A 15 1.642 -10.173 6.731 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.230 -10.284 4.948 1.00 0.00 C ATOM 232 CZ TYR A 15 2.944 -10.124 6.288 1.00 0.00 C ATOM 233 OH TYR A 15 3.962 -9.910 7.187 1.00 0.00 O ATOM 0 H TYR A 15 -2.141 -9.864 1.608 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.784 -9.683 4.535 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.713 -11.752 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.152 -10.832 2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.399 -10.426 6.183 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.430 -10.627 3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.421 -10.044 7.780 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.253 -10.242 4.603 1.00 0.00 H new ATOM 0 HH TYR A 15 4.820 -9.904 6.714 1.00 0.00 H new ATOM 243 N VAL A 16 -0.994 -7.381 4.164 1.00 0.00 N ATOM 244 CA VAL A 16 -0.352 -6.070 4.136 1.00 0.00 C ATOM 245 C VAL A 16 0.958 -6.140 4.919 1.00 0.00 C ATOM 246 O VAL A 16 0.971 -6.023 6.150 1.00 0.00 O ATOM 247 CB VAL A 16 -1.266 -4.970 4.740 1.00 0.00 C ATOM 248 CG1 VAL A 16 -0.598 -3.597 4.659 1.00 0.00 C ATOM 249 CG2 VAL A 16 -2.628 -4.955 4.045 1.00 0.00 C ATOM 0 H VAL A 16 -1.654 -7.504 4.932 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.159 -5.804 3.097 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.424 -5.204 5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.259 -2.845 5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.340 -3.615 5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.398 -3.351 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.252 -4.177 4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.492 -4.754 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.112 -5.923 4.172 1.00 0.00 H new ATOM 259 N ALA A 17 2.051 -6.344 4.194 1.00 0.00 N ATOM 260 CA ALA A 17 3.354 -6.619 4.794 1.00 0.00 C ATOM 261 C ALA A 17 3.836 -5.472 5.682 1.00 0.00 C ATOM 262 O ALA A 17 4.420 -5.708 6.740 1.00 0.00 O ATOM 263 CB ALA A 17 4.377 -6.913 3.704 1.00 0.00 C ATOM 0 H ALA A 17 2.061 -6.324 3.174 1.00 0.00 H new ATOM 0 HA ALA A 17 3.243 -7.494 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.346 -7.117 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.056 -7.782 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.462 -6.051 3.042 1.00 0.00 H new ATOM 269 N LYS A 18 3.571 -4.238 5.262 1.00 0.00 N ATOM 270 CA LYS A 18 4.085 -3.057 5.963 1.00 0.00 C ATOM 271 C LYS A 18 3.538 -2.971 7.391 1.00 0.00 C ATOM 272 O LYS A 18 4.141 -2.334 8.257 1.00 0.00 O ATOM 273 CB LYS A 18 3.767 -1.769 5.168 1.00 0.00 C ATOM 274 CG LYS A 18 2.304 -1.302 5.226 1.00 0.00 C ATOM 275 CD LYS A 18 2.071 -0.265 6.332 1.00 0.00 C ATOM 276 CE LYS A 18 0.626 0.223 6.368 1.00 0.00 C ATOM 277 NZ LYS A 18 0.418 1.276 7.403 1.00 0.00 N ATOM 0 H LYS A 18 3.004 -4.026 4.441 1.00 0.00 H new ATOM 0 HA LYS A 18 5.168 -3.156 6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.402 -0.966 5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.038 -1.930 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.022 -0.874 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.656 -2.162 5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.330 -0.701 7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.736 0.585 6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.352 0.617 5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.036 -0.619 6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.577 1.580 7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.655 0.893 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.031 2.091 7.197 1.00 0.00 H new ATOM 291 N LYS A 19 2.399 -3.617 7.634 1.00 0.00 N ATOM 292 CA LYS A 19 1.761 -3.586 8.953 1.00 0.00 C ATOM 293 C LYS A 19 1.656 -5.002 9.535 1.00 0.00 C ATOM 294 O LYS A 19 1.219 -5.183 10.672 1.00 0.00 O ATOM 295 CB LYS A 19 0.372 -2.914 8.849 1.00 0.00 C ATOM 296 CG LYS A 19 -0.293 -2.608 10.198 1.00 0.00 C ATOM 297 CD LYS A 19 -1.240 -3.722 10.654 1.00 0.00 C ATOM 298 CE LYS A 19 -1.515 -3.656 12.152 1.00 0.00 C ATOM 299 NZ LYS A 19 -0.279 -3.867 12.950 1.00 0.00 N ATOM 0 H LYS A 19 1.898 -4.168 6.937 1.00 0.00 H new ATOM 0 HA LYS A 19 2.376 -2.997 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.474 -1.984 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.288 -3.562 8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.478 -2.460 10.954 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.848 -1.673 10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.180 -3.645 10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.806 -4.691 10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.947 -2.686 12.400 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.254 -4.411 12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.496 -4.459 13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.436 -4.342 12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.089 -2.948 13.269 1.00 0.00 H new ATOM 313 N ASP A 20 2.090 -5.995 8.755 1.00 0.00 N ATOM 314 CA ASP A 20 2.002 -7.407 9.155 1.00 0.00 C ATOM 315 C ASP A 20 0.543 -7.837 9.300 1.00 0.00 C ATOM 316 O ASP A 20 0.227 -8.760 10.055 1.00 0.00 O ATOM 317 CB ASP A 20 2.768 -7.674 10.467 1.00 0.00 C ATOM 318 CG ASP A 20 4.277 -7.616 10.300 1.00 0.00 C ATOM 319 OD1 ASP A 20 4.842 -6.500 10.305 1.00 0.00 O ATOM 320 OD2 ASP A 20 4.909 -8.687 10.169 1.00 0.00 O ATOM 0 H ASP A 20 2.509 -5.849 7.837 1.00 0.00 H new ATOM 0 HA ASP A 20 2.468 -7.999 8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.463 -6.941 11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.489 -8.655 10.850 1.00 0.00 H new ATOM 325 N LEU A 21 -0.337 -7.179 8.551 1.00 0.00 N ATOM 326 CA LEU A 21 -1.761 -7.501 8.573 1.00 0.00 C ATOM 327 C LEU A 21 -2.054 -8.661 7.629 1.00 0.00 C ATOM 328 O LEU A 21 -1.948 -8.518 6.414 1.00 0.00 O ATOM 329 CB LEU A 21 -2.602 -6.280 8.168 1.00 0.00 C ATOM 330 CG LEU A 21 -4.113 -6.546 8.012 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.744 -6.919 9.352 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.820 -5.340 7.391 1.00 0.00 C ATOM 0 H LEU A 21 -0.088 -6.417 7.920 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.028 -7.788 9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.462 -5.499 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.218 -5.891 7.225 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.236 -7.392 7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.810 -7.101 9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.269 -7.820 9.740 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.604 -6.102 10.060 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.884 -5.553 7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.683 -4.468 8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.397 -5.137 6.407 1.00 0.00 H new ATOM 344 N GLU A 22 -2.413 -9.802 8.195 1.00 0.00 N ATOM 345 CA GLU A 22 -2.796 -10.970 7.411 1.00 0.00 C ATOM 346 C GLU A 22 -4.189 -11.408 7.834 1.00 0.00 C ATOM 347 O GLU A 22 -4.389 -11.843 8.971 1.00 0.00 O ATOM 348 CB GLU A 22 -1.787 -12.112 7.603 1.00 0.00 C ATOM 349 CG GLU A 22 -1.995 -13.276 6.640 1.00 0.00 C ATOM 350 CD GLU A 22 -0.911 -14.339 6.744 1.00 0.00 C ATOM 351 OE1 GLU A 22 0.272 -14.016 6.512 1.00 0.00 O ATOM 352 OE2 GLU A 22 -1.240 -15.516 7.008 1.00 0.00 O ATOM 0 H GLU A 22 -2.448 -9.947 9.204 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.800 -10.711 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.778 -11.720 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.858 -12.480 8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.964 -13.734 6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.024 -12.894 5.619 1.00 0.00 H new ATOM 359 N GLU A 23 -5.153 -11.276 6.931 1.00 0.00 N ATOM 360 CA GLU A 23 -6.547 -11.527 7.268 1.00 0.00 C ATOM 361 C GLU A 23 -7.307 -12.074 6.062 1.00 0.00 C ATOM 362 O GLU A 23 -6.847 -11.964 4.920 1.00 0.00 O ATOM 363 CB GLU A 23 -7.201 -10.225 7.764 1.00 0.00 C ATOM 364 CG GLU A 23 -8.576 -10.413 8.395 1.00 0.00 C ATOM 365 CD GLU A 23 -8.586 -11.438 9.518 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.135 -11.112 10.634 1.00 0.00 O ATOM 367 OE2 GLU A 23 -9.056 -12.572 9.289 1.00 0.00 O ATOM 0 H GLU A 23 -4.995 -10.997 5.963 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.586 -12.275 8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.541 -9.756 8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.291 -9.535 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.924 -9.456 8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.283 -10.721 7.625 1.00 0.00 H new ATOM 374 N LEU A 24 -8.467 -12.666 6.327 1.00 0.00 N ATOM 375 CA LEU A 24 -9.327 -13.192 5.276 1.00 0.00 C ATOM 376 C LEU A 24 -10.205 -12.083 4.705 1.00 0.00 C ATOM 377 O LEU A 24 -10.533 -11.112 5.395 1.00 0.00 O ATOM 378 CB LEU A 24 -10.202 -14.334 5.813 1.00 0.00 C ATOM 379 CG LEU A 24 -9.435 -15.566 6.326 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.403 -16.640 6.811 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.510 -16.120 5.240 1.00 0.00 C ATOM 0 H LEU A 24 -8.834 -12.794 7.270 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.694 -13.585 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.818 -13.947 6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.880 -14.653 5.022 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.819 -15.256 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.840 -17.502 7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.012 -16.241 7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.050 -16.945 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.978 -16.990 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.101 -16.411 4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.791 -15.354 4.949 1.00 0.00 H new ATOM 393 N ILE A 25 -10.574 -12.234 3.444 1.00 0.00 N ATOM 394 CA ILE A 25 -11.401 -11.261 2.747 1.00 0.00 C ATOM 395 C ILE A 25 -12.881 -11.624 2.870 1.00 0.00 C ATOM 396 O ILE A 25 -13.372 -12.521 2.183 1.00 0.00 O ATOM 397 CB ILE A 25 -10.983 -11.177 1.257 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.538 -10.650 1.154 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.954 -10.306 0.463 1.00 0.00 C ATOM 400 CD1 ILE A 25 -8.987 -10.592 -0.257 1.00 0.00 C ATOM 0 H ILE A 25 -10.308 -13.036 2.873 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.252 -10.284 3.208 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.020 -12.175 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.498 -9.651 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.890 -11.285 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.637 -10.264 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.956 -10.732 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.964 -9.299 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.966 -10.210 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.990 -11.592 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.608 -9.932 -0.863 1.00 0.00 H new ATOM 412 N VAL A 26 -13.579 -10.937 3.772 1.00 0.00 N ATOM 413 CA VAL A 26 -15.007 -11.165 3.987 1.00 0.00 C ATOM 414 C VAL A 26 -15.842 -10.380 2.980 1.00 0.00 C ATOM 415 O VAL A 26 -16.871 -10.861 2.504 1.00 0.00 O ATOM 416 CB VAL A 26 -15.445 -10.789 5.427 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.864 -11.772 6.442 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.036 -9.354 5.768 1.00 0.00 C ATOM 0 H VAL A 26 -13.177 -10.214 4.369 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.179 -12.232 3.845 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.532 -10.850 5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.183 -11.490 7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.218 -12.778 6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.776 -11.750 6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.355 -9.116 6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.953 -9.258 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.509 -8.665 5.068 1.00 0.00 H new ATOM 428 N GLU A 27 -15.393 -9.173 2.659 1.00 0.00 N ATOM 429 CA GLU A 27 -16.084 -8.321 1.698 1.00 0.00 C ATOM 430 C GLU A 27 -15.127 -7.898 0.595 1.00 0.00 C ATOM 431 O GLU A 27 -13.961 -7.597 0.856 1.00 0.00 O ATOM 432 CB GLU A 27 -16.674 -7.084 2.386 1.00 0.00 C ATOM 433 CG GLU A 27 -17.782 -7.395 3.384 1.00 0.00 C ATOM 434 CD GLU A 27 -18.441 -6.138 3.925 1.00 0.00 C ATOM 435 OE1 GLU A 27 -17.890 -5.527 4.867 1.00 0.00 O ATOM 436 OE2 GLU A 27 -19.504 -5.744 3.398 1.00 0.00 O ATOM 0 H GLU A 27 -14.548 -8.760 3.053 1.00 0.00 H new ATOM 0 HA GLU A 27 -16.904 -8.892 1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.874 -6.553 2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.065 -6.410 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.535 -8.020 2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.370 -7.972 4.212 1.00 0.00 H new ATOM 443 N MET A 28 -15.624 -7.880 -0.631 1.00 0.00 N ATOM 444 CA MET A 28 -14.823 -7.537 -1.798 1.00 0.00 C ATOM 445 C MET A 28 -15.711 -6.919 -2.873 1.00 0.00 C ATOM 446 O MET A 28 -16.925 -7.124 -2.879 1.00 0.00 O ATOM 447 CB MET A 28 -14.105 -8.788 -2.328 1.00 0.00 C ATOM 448 CG MET A 28 -15.017 -9.999 -2.469 1.00 0.00 C ATOM 449 SD MET A 28 -14.138 -11.487 -2.981 1.00 0.00 S ATOM 450 CE MET A 28 -15.504 -12.633 -3.154 1.00 0.00 C ATOM 0 H MET A 28 -16.596 -8.103 -0.847 1.00 0.00 H new ATOM 0 HA MET A 28 -14.067 -6.804 -1.516 1.00 0.00 H new ATOM 0 HB2 MET A 28 -13.664 -8.560 -3.299 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.284 -9.038 -1.656 1.00 0.00 H new ATOM 0 HG2 MET A 28 -15.513 -10.186 -1.517 1.00 0.00 H new ATOM 0 HG3 MET A 28 -15.798 -9.776 -3.196 1.00 0.00 H new ATOM 0 HE1 MET A 28 -15.207 -13.458 -3.802 1.00 0.00 H new ATOM 0 HE2 MET A 28 -15.779 -13.022 -2.174 1.00 0.00 H new ATOM 0 HE3 MET A 28 -16.358 -12.117 -3.592 1.00 0.00 H new ATOM 460 N GLU A 29 -15.106 -6.141 -3.760 1.00 0.00 N ATOM 461 CA GLU A 29 -15.849 -5.424 -4.793 1.00 0.00 C ATOM 462 C GLU A 29 -16.470 -6.389 -5.799 1.00 0.00 C ATOM 463 O GLU A 29 -17.584 -6.177 -6.279 1.00 0.00 O ATOM 464 CB GLU A 29 -14.922 -4.454 -5.527 1.00 0.00 C ATOM 465 CG GLU A 29 -15.656 -3.410 -6.356 1.00 0.00 C ATOM 466 CD GLU A 29 -16.396 -2.406 -5.491 1.00 0.00 C ATOM 467 OE1 GLU A 29 -15.730 -1.562 -4.863 1.00 0.00 O ATOM 468 OE2 GLU A 29 -17.640 -2.464 -5.417 1.00 0.00 O ATOM 0 H GLU A 29 -14.098 -5.988 -3.787 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.651 -4.870 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.291 -3.947 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.260 -5.023 -6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.942 -2.884 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.364 -3.907 -7.019 1.00 0.00 H new ATOM 475 N ASN A 30 -15.736 -7.447 -6.108 1.00 0.00 N ATOM 476 CA ASN A 30 -16.116 -8.379 -7.164 1.00 0.00 C ATOM 477 C ASN A 30 -16.349 -9.767 -6.578 1.00 0.00 C ATOM 478 O ASN A 30 -15.580 -10.214 -5.726 1.00 0.00 O ATOM 479 CB ASN A 30 -14.994 -8.411 -8.213 1.00 0.00 C ATOM 480 CG ASN A 30 -15.283 -9.242 -9.457 1.00 0.00 C ATOM 481 OD1 ASN A 30 -15.965 -10.258 -9.412 1.00 0.00 O ATOM 482 ND2 ASN A 30 -14.741 -8.811 -10.584 1.00 0.00 N ATOM 0 H ASN A 30 -14.863 -7.685 -5.637 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.044 -8.055 -7.635 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.780 -7.388 -8.522 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.090 -8.797 -7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.886 -9.329 -11.450 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.178 -7.960 -10.587 1.00 0.00 H new ATOM 489 N PRO A 31 -17.423 -10.456 -7.014 1.00 0.00 N ATOM 490 CA PRO A 31 -17.721 -11.839 -6.607 1.00 0.00 C ATOM 491 C PRO A 31 -16.494 -12.747 -6.712 1.00 0.00 C ATOM 492 O PRO A 31 -16.346 -13.705 -5.951 1.00 0.00 O ATOM 493 CB PRO A 31 -18.822 -12.278 -7.599 1.00 0.00 C ATOM 494 CG PRO A 31 -18.866 -11.201 -8.639 1.00 0.00 C ATOM 495 CD PRO A 31 -18.448 -9.948 -7.934 1.00 0.00 C ATOM 0 HA PRO A 31 -18.030 -11.905 -5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.588 -13.245 -8.044 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -19.785 -12.381 -7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.195 -11.428 -9.468 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -19.867 -11.100 -9.058 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.048 -9.204 -8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.278 -9.479 -7.405 1.00 0.00 H new ATOM 503 N ALA A 32 -15.625 -12.444 -7.673 1.00 0.00 N ATOM 504 CA ALA A 32 -14.343 -13.125 -7.795 1.00 0.00 C ATOM 505 C ALA A 32 -13.375 -12.583 -6.747 1.00 0.00 C ATOM 506 O ALA A 32 -12.915 -13.327 -5.874 1.00 0.00 O ATOM 507 CB ALA A 32 -13.777 -12.948 -9.198 1.00 0.00 C ATOM 0 H ALA A 32 -15.788 -11.728 -8.381 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.486 -14.192 -7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.819 -13.463 -9.272 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.471 -13.367 -9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.635 -11.887 -9.402 1.00 0.00 H new ATOM 513 N LEU A 33 -13.085 -11.276 -6.848 1.00 0.00 N ATOM 514 CA LEU A 33 -12.251 -10.565 -5.872 1.00 0.00 C ATOM 515 C LEU A 33 -11.946 -9.140 -6.353 1.00 0.00 C ATOM 516 O LEU A 33 -12.417 -8.157 -5.774 1.00 0.00 O ATOM 517 CB LEU A 33 -10.923 -11.311 -5.606 1.00 0.00 C ATOM 518 CG LEU A 33 -10.617 -11.593 -4.124 1.00 0.00 C ATOM 519 CD1 LEU A 33 -9.217 -12.176 -3.958 1.00 0.00 C ATOM 520 CD2 LEU A 33 -10.784 -10.332 -3.282 1.00 0.00 C ATOM 0 H LEU A 33 -13.423 -10.685 -7.608 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.816 -10.521 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.943 -12.259 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.105 -10.725 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.335 -12.332 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.025 -12.366 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.144 -13.110 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.481 -11.468 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.562 -10.559 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.100 -9.562 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.810 -9.973 -3.365 1.00 0.00 H new ATOM 532 N TRP A 34 -11.168 -9.055 -7.429 1.00 0.00 N ATOM 533 CA TRP A 34 -10.624 -7.787 -7.923 1.00 0.00 C ATOM 534 C TRP A 34 -11.701 -6.945 -8.607 1.00 0.00 C ATOM 535 O TRP A 34 -12.452 -7.457 -9.441 1.00 0.00 O ATOM 536 CB TRP A 34 -9.484 -8.075 -8.910 1.00 0.00 C ATOM 537 CG TRP A 34 -8.421 -8.979 -8.350 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.479 -10.340 -8.229 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.144 -8.587 -7.840 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.320 -10.811 -7.665 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.485 -9.757 -7.423 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.493 -7.361 -7.696 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.212 -9.736 -6.871 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.227 -7.342 -7.149 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.596 -8.522 -6.743 1.00 0.00 C ATOM 0 H TRP A 34 -10.895 -9.864 -7.986 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.248 -7.220 -7.072 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.899 -8.529 -9.810 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.027 -7.132 -9.210 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.314 -10.954 -8.533 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.115 -11.789 -7.460 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.972 -6.444 -8.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.725 -10.646 -6.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.714 -6.399 -7.032 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.603 -8.474 -6.320 1.00 0.00 H new ATOM 556 N GLY A 35 -11.761 -5.652 -8.272 1.00 0.00 N ATOM 557 CA GLY A 35 -12.762 -4.776 -8.861 1.00 0.00 C ATOM 558 C GLY A 35 -12.568 -3.312 -8.494 1.00 0.00 C ATOM 559 O GLY A 35 -12.431 -2.457 -9.377 1.00 0.00 O ATOM 0 H GLY A 35 -11.135 -5.200 -7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.732 -4.879 -9.946 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.752 -5.097 -8.537 1.00 0.00 H new ATOM 563 N GLY A 36 -12.544 -3.018 -7.193 1.00 0.00 N ATOM 564 CA GLY A 36 -12.477 -1.637 -6.735 1.00 0.00 C ATOM 565 C GLY A 36 -11.927 -1.518 -5.326 1.00 0.00 C ATOM 566 O GLY A 36 -10.845 -0.968 -5.121 1.00 0.00 O ATOM 0 H GLY A 36 -12.570 -3.713 -6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.850 -1.062 -7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.474 -1.197 -6.771 1.00 0.00 H new ATOM 570 N LYS A 37 -12.676 -2.010 -4.342 1.00 0.00 N ATOM 571 CA LYS A 37 -12.199 -2.035 -2.959 1.00 0.00 C ATOM 572 C LYS A 37 -12.478 -3.384 -2.305 1.00 0.00 C ATOM 573 O LYS A 37 -13.206 -4.217 -2.851 1.00 0.00 O ATOM 574 CB LYS A 37 -12.794 -0.869 -2.138 1.00 0.00 C ATOM 575 CG LYS A 37 -14.322 -0.746 -2.164 1.00 0.00 C ATOM 576 CD LYS A 37 -15.023 -1.769 -1.269 1.00 0.00 C ATOM 577 CE LYS A 37 -16.531 -1.536 -1.222 1.00 0.00 C ATOM 578 NZ LYS A 37 -17.167 -1.688 -2.559 1.00 0.00 N ATOM 0 H LYS A 37 -13.611 -2.395 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.118 -1.898 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.475 -0.979 -1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.367 0.064 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.605 0.258 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.673 -0.868 -3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.821 -2.775 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.614 -1.711 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.984 -2.240 -0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.730 -0.535 -0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.096 -1.221 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.562 -1.251 -3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.288 -2.699 -2.773 1.00 0.00 H new ATOM 592 N VAL A 38 -11.882 -3.587 -1.140 1.00 0.00 N ATOM 593 CA VAL A 38 -11.989 -4.835 -0.400 1.00 0.00 C ATOM 594 C VAL A 38 -11.954 -4.542 1.104 1.00 0.00 C ATOM 595 O VAL A 38 -11.527 -3.460 1.521 1.00 0.00 O ATOM 596 CB VAL A 38 -10.840 -5.808 -0.794 1.00 0.00 C ATOM 597 CG1 VAL A 38 -9.474 -5.235 -0.427 1.00 0.00 C ATOM 598 CG2 VAL A 38 -11.032 -7.182 -0.167 1.00 0.00 C ATOM 0 H VAL A 38 -11.305 -2.884 -0.678 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.935 -5.315 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.877 -5.925 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.694 -5.940 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.323 -4.291 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.428 -5.064 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.211 -7.835 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.046 -7.088 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.976 -7.608 -0.507 1.00 0.00 H new ATOM 608 N THR A 39 -12.427 -5.485 1.911 1.00 0.00 N ATOM 609 CA THR A 39 -12.433 -5.330 3.360 1.00 0.00 C ATOM 610 C THR A 39 -12.030 -6.639 4.036 1.00 0.00 C ATOM 611 O THR A 39 -12.610 -7.697 3.765 1.00 0.00 O ATOM 612 CB THR A 39 -13.827 -4.891 3.868 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.254 -3.716 3.160 1.00 0.00 O ATOM 614 CG2 THR A 39 -13.809 -4.603 5.368 1.00 0.00 C ATOM 0 H THR A 39 -12.813 -6.370 1.583 1.00 0.00 H new ATOM 0 HA THR A 39 -11.711 -4.554 3.615 1.00 0.00 H new ATOM 0 HB THR A 39 -14.524 -5.709 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.138 -3.442 3.483 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.804 -4.297 5.692 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.512 -5.502 5.908 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.098 -3.804 5.576 1.00 0.00 H new ATOM 622 N LEU A 40 -11.024 -6.563 4.904 1.00 0.00 N ATOM 623 CA LEU A 40 -10.550 -7.728 5.640 1.00 0.00 C ATOM 624 C LEU A 40 -11.480 -8.025 6.808 1.00 0.00 C ATOM 625 O LEU A 40 -12.206 -7.144 7.272 1.00 0.00 O ATOM 626 CB LEU A 40 -9.117 -7.509 6.161 1.00 0.00 C ATOM 627 CG LEU A 40 -8.019 -7.385 5.088 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.125 -8.518 4.072 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.063 -6.021 4.402 1.00 0.00 C ATOM 0 H LEU A 40 -10.520 -5.701 5.114 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.543 -8.577 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.107 -6.604 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.861 -8.338 6.820 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.053 -7.468 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.340 -8.410 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.012 -9.475 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.099 -8.479 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.275 -5.966 3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.032 -5.886 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.913 -5.236 5.143 1.00 0.00 H new ATOM 641 N ALA A 41 -11.437 -9.260 7.295 1.00 0.00 N ATOM 642 CA ALA A 41 -12.270 -9.680 8.419 1.00 0.00 C ATOM 643 C ALA A 41 -11.889 -8.930 9.697 1.00 0.00 C ATOM 644 O ALA A 41 -12.615 -8.965 10.692 1.00 0.00 O ATOM 645 CB ALA A 41 -12.150 -11.186 8.623 1.00 0.00 C ATOM 0 H ALA A 41 -10.831 -9.993 6.927 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.307 -9.437 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.774 -11.490 9.463 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.478 -11.703 7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.111 -11.443 8.831 1.00 0.00 H new ATOM 651 N ASN A 42 -10.750 -8.240 9.654 1.00 0.00 N ATOM 652 CA ASN A 42 -10.264 -7.461 10.794 1.00 0.00 C ATOM 653 C ASN A 42 -10.893 -6.061 10.795 1.00 0.00 C ATOM 654 O ASN A 42 -10.569 -5.219 11.635 1.00 0.00 O ATOM 655 CB ASN A 42 -8.728 -7.365 10.751 1.00 0.00 C ATOM 656 CG ASN A 42 -8.128 -6.786 12.024 1.00 0.00 C ATOM 657 OD1 ASN A 42 -8.669 -6.953 13.118 1.00 0.00 O ATOM 658 ND2 ASN A 42 -6.997 -6.113 11.896 1.00 0.00 N ATOM 0 H ASN A 42 -10.142 -8.204 8.836 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.556 -7.966 11.715 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.313 -8.358 10.580 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.433 -6.746 9.904 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.545 -5.713 12.719 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.576 -5.994 10.975 1.00 0.00 H new ATOM 665 N GLY A 43 -11.784 -5.816 9.835 1.00 0.00 N ATOM 666 CA GLY A 43 -12.518 -4.559 9.790 1.00 0.00 C ATOM 667 C GLY A 43 -11.813 -3.473 8.998 1.00 0.00 C ATOM 668 O GLY A 43 -12.391 -2.412 8.749 1.00 0.00 O ATOM 0 H GLY A 43 -12.012 -6.468 9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.500 -4.737 9.352 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.682 -4.207 10.808 1.00 0.00 H new ATOM 672 N TRP A 44 -10.569 -3.721 8.606 1.00 0.00 N ATOM 673 CA TRP A 44 -9.797 -2.736 7.850 1.00 0.00 C ATOM 674 C TRP A 44 -10.082 -2.839 6.353 1.00 0.00 C ATOM 675 O TRP A 44 -10.269 -3.934 5.813 1.00 0.00 O ATOM 676 CB TRP A 44 -8.292 -2.876 8.137 1.00 0.00 C ATOM 677 CG TRP A 44 -7.890 -2.282 9.459 1.00 0.00 C ATOM 678 CD1 TRP A 44 -8.472 -1.217 10.077 1.00 0.00 C ATOM 679 CD2 TRP A 44 -6.815 -2.696 10.310 1.00 0.00 C ATOM 680 NE1 TRP A 44 -7.837 -0.950 11.263 1.00 0.00 N ATOM 681 CE2 TRP A 44 -6.816 -1.842 11.429 1.00 0.00 C ATOM 682 CE3 TRP A 44 -5.858 -3.706 10.241 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -5.896 -1.969 12.464 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -4.944 -3.830 11.269 1.00 0.00 C ATOM 685 CH2 TRP A 44 -4.970 -2.966 12.367 1.00 0.00 C ATOM 0 H TRP A 44 -10.073 -4.591 8.797 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.111 -1.745 8.179 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.021 -3.932 8.121 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.729 -2.391 7.340 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.313 -0.662 9.689 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.087 -0.206 11.915 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.831 -4.381 9.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.914 -1.303 13.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.196 -4.608 11.223 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.242 -3.090 13.155 1.00 0.00 H new ATOM 696 N GLN A 45 -10.117 -1.680 5.702 1.00 0.00 N ATOM 697 CA GLN A 45 -10.451 -1.572 4.284 1.00 0.00 C ATOM 698 C GLN A 45 -9.189 -1.389 3.443 1.00 0.00 C ATOM 699 O GLN A 45 -8.144 -0.972 3.954 1.00 0.00 O ATOM 700 CB GLN A 45 -11.404 -0.390 4.072 1.00 0.00 C ATOM 701 CG GLN A 45 -12.719 -0.524 4.832 1.00 0.00 C ATOM 702 CD GLN A 45 -13.516 0.768 4.870 1.00 0.00 C ATOM 703 OE1 GLN A 45 -13.370 1.574 5.790 1.00 0.00 O ATOM 704 NE2 GLN A 45 -14.359 0.981 3.872 1.00 0.00 N ATOM 0 H GLN A 45 -9.913 -0.784 6.145 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.939 -2.493 3.966 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.906 0.528 4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.617 -0.292 3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.323 -1.304 4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.512 -0.847 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.453 0.290 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.915 1.836 3.847 1.00 0.00 H new ATOM 713 N LEU A 46 -9.299 -1.691 2.152 1.00 0.00 N ATOM 714 CA LEU A 46 -8.163 -1.648 1.236 1.00 0.00 C ATOM 715 C LEU A 46 -8.685 -1.535 -0.203 1.00 0.00 C ATOM 716 O LEU A 46 -9.654 -2.199 -0.560 1.00 0.00 O ATOM 717 CB LEU A 46 -7.314 -2.927 1.448 1.00 0.00 C ATOM 718 CG LEU A 46 -5.923 -2.984 0.781 1.00 0.00 C ATOM 719 CD1 LEU A 46 -6.026 -3.265 -0.715 1.00 0.00 C ATOM 720 CD2 LEU A 46 -5.143 -1.695 1.043 1.00 0.00 C ATOM 0 H LEU A 46 -10.176 -1.972 1.712 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.530 -0.781 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.177 -3.065 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.893 -3.777 1.089 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.377 -3.813 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.027 -3.298 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.521 -4.223 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.604 -2.475 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.166 -1.757 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.694 -0.847 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.013 -1.561 2.117 1.00 0.00 H new ATOM 732 N GLU A 47 -8.076 -0.671 -1.016 1.00 0.00 N ATOM 733 CA GLU A 47 -8.496 -0.513 -2.412 1.00 0.00 C ATOM 734 C GLU A 47 -7.857 -1.594 -3.283 1.00 0.00 C ATOM 735 O GLU A 47 -6.630 -1.705 -3.347 1.00 0.00 O ATOM 736 CB GLU A 47 -8.126 0.873 -2.957 1.00 0.00 C ATOM 737 CG GLU A 47 -8.626 1.114 -4.381 1.00 0.00 C ATOM 738 CD GLU A 47 -8.157 2.433 -4.968 1.00 0.00 C ATOM 739 OE1 GLU A 47 -8.744 3.484 -4.633 1.00 0.00 O ATOM 740 OE2 GLU A 47 -7.200 2.426 -5.770 1.00 0.00 O ATOM 0 H GLU A 47 -7.297 -0.074 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.581 -0.614 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.540 1.637 -2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.042 0.987 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.287 0.299 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.716 1.090 -4.385 1.00 0.00 H new ATOM 747 N LEU A 48 -8.694 -2.364 -3.967 1.00 0.00 N ATOM 748 CA LEU A 48 -8.239 -3.507 -4.751 1.00 0.00 C ATOM 749 C LEU A 48 -8.518 -3.271 -6.236 1.00 0.00 C ATOM 750 O LEU A 48 -9.680 -3.242 -6.649 1.00 0.00 O ATOM 751 CB LEU A 48 -8.961 -4.779 -4.278 1.00 0.00 C ATOM 752 CG LEU A 48 -8.373 -6.100 -4.793 1.00 0.00 C ATOM 753 CD1 LEU A 48 -6.936 -6.269 -4.308 1.00 0.00 C ATOM 754 CD2 LEU A 48 -9.237 -7.280 -4.357 1.00 0.00 C ATOM 0 H LEU A 48 -9.703 -2.216 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.165 -3.630 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.952 -4.797 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.005 -4.720 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.364 -6.073 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.534 -7.211 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.328 -5.443 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.918 -6.274 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.803 -8.207 -4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.282 -7.315 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.243 -7.162 -4.759 1.00 0.00 H new ATOM 766 N PRO A 49 -7.466 -3.115 -7.064 1.00 0.00 N ATOM 767 CA PRO A 49 -7.630 -2.793 -8.489 1.00 0.00 C ATOM 768 C PRO A 49 -8.240 -3.957 -9.272 1.00 0.00 C ATOM 769 O PRO A 49 -8.174 -5.110 -8.841 1.00 0.00 O ATOM 770 CB PRO A 49 -6.194 -2.513 -8.955 1.00 0.00 C ATOM 771 CG PRO A 49 -5.343 -3.315 -8.029 1.00 0.00 C ATOM 772 CD PRO A 49 -6.040 -3.273 -6.696 1.00 0.00 C ATOM 0 HA PRO A 49 -8.310 -1.956 -8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.047 -2.814 -9.992 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.956 -1.451 -8.895 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.237 -4.340 -8.383 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.339 -2.897 -7.959 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.871 -4.185 -6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.688 -2.443 -6.084 1.00 0.00 H new ATOM 780 N ALA A 50 -8.840 -3.655 -10.418 1.00 0.00 N ATOM 781 CA ALA A 50 -9.419 -4.687 -11.269 1.00 0.00 C ATOM 782 C ALA A 50 -8.323 -5.422 -12.041 1.00 0.00 C ATOM 783 O ALA A 50 -8.091 -5.159 -13.223 1.00 0.00 O ATOM 784 CB ALA A 50 -10.450 -4.084 -12.218 1.00 0.00 C ATOM 0 H ALA A 50 -8.938 -2.706 -10.778 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.930 -5.413 -10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.871 -4.870 -12.845 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.246 -3.615 -11.640 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.970 -3.335 -12.848 1.00 0.00 H new ATOM 790 N MET A 51 -7.622 -6.316 -11.350 1.00 0.00 N ATOM 791 CA MET A 51 -6.549 -7.103 -11.960 1.00 0.00 C ATOM 792 C MET A 51 -7.118 -8.424 -12.493 1.00 0.00 C ATOM 793 O MET A 51 -8.337 -8.570 -12.632 1.00 0.00 O ATOM 794 CB MET A 51 -5.428 -7.358 -10.928 1.00 0.00 C ATOM 795 CG MET A 51 -3.997 -7.195 -11.456 1.00 0.00 C ATOM 796 SD MET A 51 -3.570 -8.332 -12.798 1.00 0.00 S ATOM 797 CE MET A 51 -4.019 -7.374 -14.250 1.00 0.00 C ATOM 0 H MET A 51 -7.777 -6.516 -10.362 1.00 0.00 H new ATOM 0 HA MET A 51 -6.120 -6.549 -12.795 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.568 -6.676 -10.089 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.540 -8.370 -10.538 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.865 -6.171 -11.806 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.298 -7.343 -10.633 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.330 -7.601 -15.063 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.035 -7.628 -14.553 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.965 -6.311 -14.015 1.00 0.00 H new ATOM 807 N ALA A 52 -6.244 -9.378 -12.792 1.00 0.00 N ATOM 808 CA ALA A 52 -6.658 -10.665 -13.337 1.00 0.00 C ATOM 809 C ALA A 52 -7.089 -11.617 -12.223 1.00 0.00 C ATOM 810 O ALA A 52 -6.260 -12.087 -11.439 1.00 0.00 O ATOM 811 CB ALA A 52 -5.526 -11.279 -14.155 1.00 0.00 C ATOM 0 H ALA A 52 -5.236 -9.283 -12.665 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.515 -10.500 -13.990 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.847 -12.240 -14.557 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.267 -10.611 -14.976 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.654 -11.426 -13.517 1.00 0.00 H new ATOM 817 N ALA A 53 -8.390 -11.891 -12.154 1.00 0.00 N ATOM 818 CA ALA A 53 -8.936 -12.823 -11.167 1.00 0.00 C ATOM 819 C ALA A 53 -8.642 -14.269 -11.568 1.00 0.00 C ATOM 820 O ALA A 53 -8.894 -15.201 -10.801 1.00 0.00 O ATOM 821 CB ALA A 53 -10.438 -12.603 -11.004 1.00 0.00 C ATOM 0 H ALA A 53 -9.089 -11.479 -12.772 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.453 -12.633 -10.209 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.830 -13.303 -10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.622 -11.582 -10.669 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.935 -12.766 -11.960 1.00 0.00 H new ATOM 827 N ASP A 54 -8.104 -14.436 -12.776 1.00 0.00 N ATOM 828 CA ASP A 54 -7.727 -15.749 -13.306 1.00 0.00 C ATOM 829 C ASP A 54 -6.667 -16.405 -12.425 1.00 0.00 C ATOM 830 O ASP A 54 -6.539 -17.630 -12.396 1.00 0.00 O ATOM 831 CB ASP A 54 -7.169 -15.605 -14.731 1.00 0.00 C ATOM 832 CG ASP A 54 -8.114 -14.887 -15.679 1.00 0.00 C ATOM 833 OD1 ASP A 54 -8.279 -13.654 -15.540 1.00 0.00 O ATOM 834 OD2 ASP A 54 -8.684 -15.545 -16.576 1.00 0.00 O ATOM 0 H ASP A 54 -7.917 -13.665 -13.416 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.620 -16.374 -13.319 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.225 -15.062 -14.690 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.950 -16.596 -15.129 1.00 0.00 H new ATOM 839 N THR A 55 -5.908 -15.570 -11.724 1.00 0.00 N ATOM 840 CA THR A 55 -4.805 -16.020 -10.885 1.00 0.00 C ATOM 841 C THR A 55 -5.266 -17.032 -9.826 1.00 0.00 C ATOM 842 O THR A 55 -6.099 -16.716 -8.980 1.00 0.00 O ATOM 843 CB THR A 55 -4.134 -14.810 -10.191 1.00 0.00 C ATOM 844 OG1 THR A 55 -5.141 -13.962 -9.611 1.00 0.00 O ATOM 845 CG2 THR A 55 -3.294 -14.005 -11.179 1.00 0.00 C ATOM 0 H THR A 55 -6.041 -14.559 -11.722 1.00 0.00 H new ATOM 0 HA THR A 55 -4.085 -16.518 -11.534 1.00 0.00 H new ATOM 0 HB THR A 55 -3.476 -15.188 -9.409 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.457 -13.323 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.835 -13.161 -10.663 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.515 -14.642 -11.598 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.932 -13.636 -11.982 1.00 0.00 H new ATOM 853 N PRO A 56 -4.748 -18.275 -9.879 1.00 0.00 N ATOM 854 CA PRO A 56 -5.020 -19.300 -8.868 1.00 0.00 C ATOM 855 C PRO A 56 -3.968 -19.292 -7.758 1.00 0.00 C ATOM 856 O PRO A 56 -3.905 -20.202 -6.931 1.00 0.00 O ATOM 857 CB PRO A 56 -4.920 -20.579 -9.694 1.00 0.00 C ATOM 858 CG PRO A 56 -3.815 -20.291 -10.660 1.00 0.00 C ATOM 859 CD PRO A 56 -3.878 -18.805 -10.952 1.00 0.00 C ATOM 0 HA PRO A 56 -5.972 -19.165 -8.355 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.691 -21.442 -9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.855 -20.797 -10.209 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.848 -20.563 -10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.937 -20.872 -11.574 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.888 -18.349 -10.927 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.295 -18.608 -11.940 1.00 0.00 H new ATOM 867 N LEU A 57 -3.143 -18.250 -7.763 1.00 0.00 N ATOM 868 CA LEU A 57 -2.026 -18.117 -6.835 1.00 0.00 C ATOM 869 C LEU A 57 -1.911 -16.668 -6.349 1.00 0.00 C ATOM 870 O LEU A 57 -2.460 -15.759 -6.977 1.00 0.00 O ATOM 871 CB LEU A 57 -0.729 -18.597 -7.523 1.00 0.00 C ATOM 872 CG LEU A 57 -0.502 -18.106 -8.973 1.00 0.00 C ATOM 873 CD1 LEU A 57 -0.137 -16.624 -9.020 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.572 -18.945 -9.661 1.00 0.00 C ATOM 0 H LEU A 57 -3.231 -17.470 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.197 -18.741 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.119 -18.278 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.726 -19.687 -7.526 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.442 -18.228 -9.511 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.014 -16.319 -10.056 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.944 -16.036 -8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.780 -16.457 -8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.718 -18.585 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.508 -18.861 -9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.258 -19.988 -9.686 1.00 0.00 H new ATOM 886 N PRO A 58 -1.215 -16.431 -5.218 1.00 0.00 N ATOM 887 CA PRO A 58 -1.045 -15.079 -4.662 1.00 0.00 C ATOM 888 C PRO A 58 -0.271 -14.146 -5.600 1.00 0.00 C ATOM 889 O PRO A 58 0.747 -14.530 -6.181 1.00 0.00 O ATOM 890 CB PRO A 58 -0.260 -15.320 -3.359 1.00 0.00 C ATOM 891 CG PRO A 58 0.403 -16.642 -3.551 1.00 0.00 C ATOM 892 CD PRO A 58 -0.547 -17.453 -4.388 1.00 0.00 C ATOM 0 HA PRO A 58 -2.003 -14.582 -4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.473 -14.532 -3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.923 -15.332 -2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.366 -16.529 -4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.594 -17.127 -2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.021 -18.187 -4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.260 -18.002 -3.772 1.00 0.00 H new ATOM 900 N ILE A 59 -0.768 -12.922 -5.742 1.00 0.00 N ATOM 901 CA ILE A 59 -0.125 -11.903 -6.567 1.00 0.00 C ATOM 902 C ILE A 59 0.006 -10.598 -5.780 1.00 0.00 C ATOM 903 O ILE A 59 -0.899 -10.227 -5.026 1.00 0.00 O ATOM 904 CB ILE A 59 -0.917 -11.661 -7.883 1.00 0.00 C ATOM 905 CG1 ILE A 59 -0.326 -10.475 -8.669 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.401 -11.441 -7.589 1.00 0.00 C ATOM 907 CD1 ILE A 59 -1.075 -10.139 -9.945 1.00 0.00 C ATOM 0 H ILE A 59 -1.626 -12.608 -5.290 1.00 0.00 H new ATOM 0 HA ILE A 59 0.869 -12.261 -6.835 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.826 -12.552 -8.504 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.316 -9.596 -8.025 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.711 -10.700 -8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.936 -11.274 -8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.808 -12.321 -7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.519 -10.571 -6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.594 -9.293 -10.437 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.063 -11.001 -10.612 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.106 -9.880 -9.704 1.00 0.00 H new ATOM 919 N THR A 60 1.138 -9.923 -5.940 1.00 0.00 N ATOM 920 CA THR A 60 1.403 -8.678 -5.231 1.00 0.00 C ATOM 921 C THR A 60 1.161 -7.472 -6.142 1.00 0.00 C ATOM 922 O THR A 60 1.807 -7.325 -7.185 1.00 0.00 O ATOM 923 CB THR A 60 2.854 -8.643 -4.695 1.00 0.00 C ATOM 924 OG1 THR A 60 3.104 -9.810 -3.896 1.00 0.00 O ATOM 925 CG2 THR A 60 3.112 -7.389 -3.861 1.00 0.00 C ATOM 0 H THR A 60 1.892 -10.220 -6.559 1.00 0.00 H new ATOM 0 HA THR A 60 0.716 -8.627 -4.386 1.00 0.00 H new ATOM 0 HB THR A 60 3.528 -8.627 -5.551 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.024 -9.785 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.141 -7.397 -3.500 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.950 -6.504 -4.476 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.430 -7.371 -3.011 1.00 0.00 H new ATOM 933 N VAL A 61 0.220 -6.622 -5.744 1.00 0.00 N ATOM 934 CA VAL A 61 -0.105 -5.403 -6.481 1.00 0.00 C ATOM 935 C VAL A 61 0.065 -4.193 -5.573 1.00 0.00 C ATOM 936 O VAL A 61 0.275 -4.345 -4.369 1.00 0.00 O ATOM 937 CB VAL A 61 -1.565 -5.425 -7.010 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.780 -6.575 -7.990 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.559 -5.502 -5.848 1.00 0.00 C ATOM 0 H VAL A 61 -0.339 -6.758 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 61 0.573 -5.343 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.742 -4.494 -7.549 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.811 -6.564 -8.343 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.105 -6.461 -8.838 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.578 -7.522 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.576 -5.516 -6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.378 -6.411 -5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.431 -4.634 -5.202 1.00 0.00 H new ATOM 949 N GLU A 62 -0.007 -2.995 -6.143 1.00 0.00 N ATOM 950 CA GLU A 62 -0.037 -1.784 -5.334 1.00 0.00 C ATOM 951 C GLU A 62 -1.461 -1.526 -4.860 1.00 0.00 C ATOM 952 O GLU A 62 -2.421 -2.000 -5.472 1.00 0.00 O ATOM 953 CB GLU A 62 0.520 -0.565 -6.086 1.00 0.00 C ATOM 954 CG GLU A 62 2.044 -0.571 -6.213 1.00 0.00 C ATOM 955 CD GLU A 62 2.642 0.829 -6.227 1.00 0.00 C ATOM 956 OE1 GLU A 62 2.659 1.477 -5.157 1.00 0.00 O ATOM 957 OE2 GLU A 62 3.096 1.287 -7.296 1.00 0.00 O ATOM 0 H GLU A 62 -0.045 -2.838 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 62 0.612 -1.938 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.080 -0.531 -7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.210 0.343 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.471 -1.135 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.325 -1.090 -7.129 1.00 0.00 H new ATOM 964 N ALA A 63 -1.598 -0.778 -3.773 1.00 0.00 N ATOM 965 CA ALA A 63 -2.890 -0.597 -3.132 1.00 0.00 C ATOM 966 C ALA A 63 -3.004 0.761 -2.458 1.00 0.00 C ATOM 967 O ALA A 63 -2.005 1.450 -2.234 1.00 0.00 O ATOM 968 CB ALA A 63 -3.104 -1.700 -2.109 1.00 0.00 C ATOM 0 H ALA A 63 -0.828 -0.287 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.659 -0.646 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.072 -1.566 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.078 -2.669 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.316 -1.657 -1.357 1.00 0.00 H new ATOM 974 N ARG A 64 -4.240 1.128 -2.139 1.00 0.00 N ATOM 975 CA ARG A 64 -4.544 2.349 -1.402 1.00 0.00 C ATOM 976 C ARG A 64 -5.182 1.969 -0.071 1.00 0.00 C ATOM 977 O ARG A 64 -6.168 1.227 -0.049 1.00 0.00 O ATOM 978 CB ARG A 64 -5.523 3.219 -2.204 1.00 0.00 C ATOM 979 CG ARG A 64 -5.074 3.527 -3.628 1.00 0.00 C ATOM 980 CD ARG A 64 -4.109 4.704 -3.699 1.00 0.00 C ATOM 981 NE ARG A 64 -3.758 5.046 -5.083 1.00 0.00 N ATOM 982 CZ ARG A 64 -4.648 5.331 -6.049 1.00 0.00 C ATOM 983 NH1 ARG A 64 -5.956 5.319 -5.799 1.00 0.00 N ATOM 984 NH2 ARG A 64 -4.225 5.642 -7.267 1.00 0.00 N ATOM 0 H ARG A 64 -5.066 0.582 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.626 2.912 -1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.489 2.716 -2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.674 4.159 -1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.596 2.644 -4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.949 3.742 -4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.558 5.571 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.202 4.463 -3.144 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.768 5.069 -5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.294 5.091 -4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.619 5.537 -6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.226 5.665 -7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.899 5.859 -8.001 1.00 0.00 H new ATOM 998 N LYS A 65 -4.627 2.452 1.031 1.00 0.00 N ATOM 999 CA LYS A 65 -5.165 2.127 2.346 1.00 0.00 C ATOM 1000 C LYS A 65 -6.349 3.033 2.674 1.00 0.00 C ATOM 1001 O LYS A 65 -6.185 4.234 2.906 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.083 2.233 3.431 1.00 0.00 C ATOM 1003 CG LYS A 65 -4.604 1.973 4.847 1.00 0.00 C ATOM 1004 CD LYS A 65 -5.310 0.619 4.967 1.00 0.00 C ATOM 1005 CE LYS A 65 -5.940 0.427 6.344 1.00 0.00 C ATOM 1006 NZ LYS A 65 -6.913 1.505 6.663 1.00 0.00 N ATOM 0 H LYS A 65 -3.812 3.065 1.043 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.513 1.094 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.288 1.521 3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.640 3.228 3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.772 2.010 5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.295 2.767 5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.081 0.542 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.594 -0.182 4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.443 -0.539 6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.157 0.408 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.476 1.230 7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.400 2.386 6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.545 1.654 5.850 1.00 0.00 H new ATOM 1020 N LEU A 66 -7.539 2.449 2.662 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.764 3.168 2.979 1.00 0.00 C ATOM 1022 C LEU A 66 -8.977 3.179 4.491 1.00 0.00 C ATOM 1023 O LEU A 66 -9.131 2.088 5.077 1.00 0.00 O ATOM 1024 CB LEU A 66 -9.961 2.513 2.270 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.837 2.398 0.741 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -11.066 1.712 0.149 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -9.625 3.774 0.108 1.00 0.00 C ATOM 1028 OXT LEU A 66 -8.975 4.272 5.092 1.00 0.00 O ATOM 0 H LEU A 66 -7.682 1.465 2.433 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.678 4.196 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.104 1.514 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.858 3.086 2.503 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.965 1.784 0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.957 1.641 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.162 0.711 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.957 2.293 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.540 3.668 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.473 4.418 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.711 4.219 0.502 1.00 0.00 H new