USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 622 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 46 THR OG1 : rot -74:sc= 0.00355 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.701 USER MOD Set 2.1: A 17 TYR OH : rot 135:sc= 0.458 USER MOD Set 2.2: A 79 SER OG : rot 32:sc= 0.165 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -155:sc= -0.0661 (180deg=-0.387) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.374 USER MOD Single : A 12 GLN : amide:sc= -0.634! C(o=-0.63!,f=-0.63!) USER MOD Single : A 15 HIS : no HD1:sc= -2.35 X(o=-2.3,f=-2.4!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= -1.4! (180deg=-1.61!) USER MOD Single : A 21 THR OG1 : rot -16:sc= 0.467 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.81! C(o=-2.8!,f=-3.1!) USER MOD Single : A 27 TYR OH : rot 90:sc= -0.255 USER MOD Single : A 29 CYS SG : rot 37:sc= 0.0828 USER MOD Single : A 32 SER OG : rot -102:sc= 1.34 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 37 HIS : no HD1:sc= -2.48 X(o=-2.5,f=-2.7!) USER MOD Single : A 40 THR OG1 : rot 18:sc= 0.428 USER MOD Single : A 42 THR OG1 : rot -126:sc= 0.0717 USER MOD Single : A 52 CYS SG : rot -110:sc= -1.44 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -130:sc= -0.78 USER MOD Single : A 58 SER OG : rot -119:sc= -0.416 USER MOD Single : A 59 LYS NZ :NH3+ -138:sc= 0.529 (180deg=0.000849) USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= -0.0123 (180deg=-0.139) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= 0.302 (180deg=0.227) USER MOD Single : A 64 HIS : no HD1:sc= -7.57! C(o=-7.6!,f=-8.2!) USER MOD Single : A 72 ASN : amide:sc= 0.2 X(o=0.2,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.250 21.118 1.578 1.00 0.00 N ATOM 2 CA GLY A 1 -20.510 20.236 2.701 1.00 0.00 C ATOM 3 C GLY A 1 -21.198 18.952 2.282 1.00 0.00 C ATOM 4 O GLY A 1 -22.190 18.546 2.887 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.779 21.981 1.916 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.636 20.635 0.892 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.149 21.371 1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.569 19.996 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.130 20.756 3.431 1.00 0.00 H new ATOM 8 N SER A 2 -20.671 18.311 1.243 1.00 0.00 N ATOM 9 CA SER A 2 -21.245 17.068 0.741 1.00 0.00 C ATOM 10 C SER A 2 -21.299 16.012 1.840 1.00 0.00 C ATOM 11 O SER A 2 -20.267 15.503 2.279 1.00 0.00 O ATOM 12 CB SER A 2 -20.428 16.547 -0.443 1.00 0.00 C ATOM 13 OG SER A 2 -21.015 15.381 -0.994 1.00 0.00 O ATOM 0 H SER A 2 -19.848 18.632 0.733 1.00 0.00 H new ATOM 0 HA SER A 2 -22.263 17.274 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.358 17.320 -1.209 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.411 16.327 -0.118 1.00 0.00 H new ATOM 0 HG SER A 2 -20.475 15.069 -1.750 1.00 0.00 H new ATOM 19 N SER A 3 -22.510 15.687 2.281 1.00 0.00 N ATOM 20 CA SER A 3 -22.701 14.694 3.332 1.00 0.00 C ATOM 21 C SER A 3 -22.816 13.292 2.740 1.00 0.00 C ATOM 22 O SER A 3 -23.653 13.039 1.875 1.00 0.00 O ATOM 23 CB SER A 3 -23.952 15.020 4.150 1.00 0.00 C ATOM 24 OG SER A 3 -24.096 14.124 5.239 1.00 0.00 O ATOM 0 H SER A 3 -23.374 16.097 1.927 1.00 0.00 H new ATOM 0 HA SER A 3 -21.831 14.722 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.891 16.043 4.522 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.833 14.965 3.511 1.00 0.00 H new ATOM 0 HG SER A 3 -24.902 14.354 5.747 1.00 0.00 H new ATOM 30 N GLY A 4 -21.969 12.385 3.215 1.00 0.00 N ATOM 31 CA GLY A 4 -21.991 11.020 2.723 1.00 0.00 C ATOM 32 C GLY A 4 -20.643 10.572 2.193 1.00 0.00 C ATOM 33 O GLY A 4 -20.124 11.145 1.235 1.00 0.00 O ATOM 0 H GLY A 4 -21.268 12.571 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.302 10.353 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.736 10.934 1.932 1.00 0.00 H new ATOM 37 N SER A 5 -20.075 9.546 2.817 1.00 0.00 N ATOM 38 CA SER A 5 -18.776 9.025 2.406 1.00 0.00 C ATOM 39 C SER A 5 -18.935 7.955 1.331 1.00 0.00 C ATOM 40 O SER A 5 -18.269 7.993 0.298 1.00 0.00 O ATOM 41 CB SER A 5 -18.030 8.448 3.611 1.00 0.00 C ATOM 42 OG SER A 5 -17.301 9.456 4.290 1.00 0.00 O ATOM 0 H SER A 5 -20.493 9.058 3.609 1.00 0.00 H new ATOM 0 HA SER A 5 -18.197 9.849 1.990 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.741 7.985 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.350 7.663 3.280 1.00 0.00 H new ATOM 0 HG SER A 5 -16.835 9.062 5.057 1.00 0.00 H new ATOM 48 N SER A 6 -19.824 6.999 1.584 1.00 0.00 N ATOM 49 CA SER A 6 -20.070 5.915 0.641 1.00 0.00 C ATOM 50 C SER A 6 -20.871 6.410 -0.560 1.00 0.00 C ATOM 51 O SER A 6 -21.905 7.059 -0.405 1.00 0.00 O ATOM 52 CB SER A 6 -20.817 4.771 1.330 1.00 0.00 C ATOM 53 OG SER A 6 -20.079 4.271 2.432 1.00 0.00 O ATOM 0 H SER A 6 -20.386 6.954 2.434 1.00 0.00 H new ATOM 0 HA SER A 6 -19.106 5.549 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.792 5.121 1.670 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.998 3.968 0.615 1.00 0.00 H new ATOM 0 HG SER A 6 -20.578 3.542 2.856 1.00 0.00 H new ATOM 59 N GLY A 7 -20.385 6.098 -1.757 1.00 0.00 N ATOM 60 CA GLY A 7 -21.066 6.518 -2.967 1.00 0.00 C ATOM 61 C GLY A 7 -20.425 5.954 -4.220 1.00 0.00 C ATOM 62 O GLY A 7 -20.541 4.761 -4.502 1.00 0.00 O ATOM 0 H GLY A 7 -19.531 5.561 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.108 6.202 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.066 7.607 -3.021 1.00 0.00 H new ATOM 66 N LYS A 8 -19.748 6.813 -4.974 1.00 0.00 N ATOM 67 CA LYS A 8 -19.086 6.394 -6.204 1.00 0.00 C ATOM 68 C LYS A 8 -17.593 6.185 -5.974 1.00 0.00 C ATOM 69 O LYS A 8 -16.977 6.872 -5.159 1.00 0.00 O ATOM 70 CB LYS A 8 -19.302 7.437 -7.304 1.00 0.00 C ATOM 71 CG LYS A 8 -20.542 7.185 -8.145 1.00 0.00 C ATOM 72 CD LYS A 8 -20.337 7.626 -9.585 1.00 0.00 C ATOM 73 CE LYS A 8 -21.154 6.778 -10.549 1.00 0.00 C ATOM 74 NZ LYS A 8 -20.665 5.372 -10.601 1.00 0.00 N ATOM 0 H LYS A 8 -19.643 7.804 -4.755 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.524 5.446 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.377 8.424 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.428 7.452 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -20.790 6.124 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.389 7.721 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.620 8.673 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.280 7.555 -9.842 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.200 6.788 -10.244 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -21.108 7.216 -11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.923 4.948 -11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.631 5.360 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.099 4.825 -9.830 1.00 0.00 H new ATOM 88 N THR A 9 -17.015 5.232 -6.700 1.00 0.00 N ATOM 89 CA THR A 9 -15.594 4.933 -6.575 1.00 0.00 C ATOM 90 C THR A 9 -14.742 6.076 -7.114 1.00 0.00 C ATOM 91 O THR A 9 -15.178 6.865 -7.953 1.00 0.00 O ATOM 92 CB THR A 9 -15.225 3.637 -7.321 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.794 3.943 -8.652 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.412 2.686 -7.373 1.00 0.00 C ATOM 0 H THR A 9 -17.509 4.655 -7.380 1.00 0.00 H new ATOM 0 HA THR A 9 -15.391 4.802 -5.512 1.00 0.00 H new ATOM 0 HB THR A 9 -14.413 3.151 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.560 3.114 -9.119 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.128 1.778 -7.905 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.719 2.432 -6.359 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.241 3.166 -7.893 1.00 0.00 H new ATOM 102 N PRO A 10 -13.497 6.169 -6.624 1.00 0.00 N ATOM 103 CA PRO A 10 -12.557 7.213 -7.044 1.00 0.00 C ATOM 104 C PRO A 10 -12.082 7.021 -8.481 1.00 0.00 C ATOM 105 O PRO A 10 -11.467 7.913 -9.065 1.00 0.00 O ATOM 106 CB PRO A 10 -11.388 7.051 -6.069 1.00 0.00 C ATOM 107 CG PRO A 10 -11.452 5.627 -5.634 1.00 0.00 C ATOM 108 CD PRO A 10 -12.911 5.263 -5.623 1.00 0.00 C ATOM 0 HA PRO A 10 -13.012 8.203 -7.025 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.436 7.275 -6.551 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.483 7.729 -5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.895 4.985 -6.316 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.011 5.501 -4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.066 4.217 -5.888 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.355 5.411 -4.638 1.00 0.00 H new ATOM 116 N ILE A 11 -12.371 5.853 -9.044 1.00 0.00 N ATOM 117 CA ILE A 11 -11.975 5.546 -10.412 1.00 0.00 C ATOM 118 C ILE A 11 -13.076 5.917 -11.400 1.00 0.00 C ATOM 119 O ILE A 11 -12.801 6.278 -12.544 1.00 0.00 O ATOM 120 CB ILE A 11 -11.634 4.053 -10.579 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.586 3.629 -9.547 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.138 3.777 -11.990 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.205 4.178 -9.829 1.00 0.00 C ATOM 0 H ILE A 11 -12.878 5.104 -8.573 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.085 6.139 -10.623 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.538 3.468 -10.413 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.905 3.961 -8.559 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.537 2.541 -9.517 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.901 2.718 -12.092 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.913 4.046 -12.707 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.243 4.369 -12.183 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.514 3.838 -9.058 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.865 3.825 -10.803 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.240 5.267 -9.830 1.00 0.00 H new ATOM 135 N GLN A 12 -14.323 5.827 -10.949 1.00 0.00 N ATOM 136 CA GLN A 12 -15.466 6.155 -11.793 1.00 0.00 C ATOM 137 C GLN A 12 -15.733 7.656 -11.788 1.00 0.00 C ATOM 138 O GLN A 12 -16.189 8.220 -12.783 1.00 0.00 O ATOM 139 CB GLN A 12 -16.710 5.402 -11.318 1.00 0.00 C ATOM 140 CG GLN A 12 -16.770 3.962 -11.801 1.00 0.00 C ATOM 141 CD GLN A 12 -16.285 3.804 -13.229 1.00 0.00 C ATOM 142 OE1 GLN A 12 -16.951 4.228 -14.173 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.119 3.191 -13.393 1.00 0.00 N ATOM 0 H GLN A 12 -14.567 5.530 -10.004 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.232 5.849 -12.813 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.737 5.413 -10.228 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.599 5.930 -11.664 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.164 3.337 -11.145 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.796 3.601 -11.728 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.601 2.855 -12.581 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.741 3.056 -14.331 1.00 0.00 H new ATOM 152 N VAL A 13 -15.447 8.300 -10.660 1.00 0.00 N ATOM 153 CA VAL A 13 -15.656 9.737 -10.526 1.00 0.00 C ATOM 154 C VAL A 13 -14.574 10.520 -11.260 1.00 0.00 C ATOM 155 O VAL A 13 -14.866 11.302 -12.166 1.00 0.00 O ATOM 156 CB VAL A 13 -15.670 10.166 -9.046 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.884 11.667 -8.928 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.742 9.404 -8.282 1.00 0.00 C ATOM 0 H VAL A 13 -15.070 7.849 -9.826 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.626 9.959 -10.971 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.702 9.926 -8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.891 11.952 -7.876 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.077 12.191 -9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.837 11.935 -9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.738 9.719 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.718 9.612 -8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.539 8.335 -8.339 1.00 0.00 H new ATOM 168 N LEU A 14 -13.325 10.306 -10.865 1.00 0.00 N ATOM 169 CA LEU A 14 -12.197 10.992 -11.486 1.00 0.00 C ATOM 170 C LEU A 14 -12.309 10.957 -13.007 1.00 0.00 C ATOM 171 O LEU A 14 -12.453 11.995 -13.654 1.00 0.00 O ATOM 172 CB LEU A 14 -10.879 10.352 -11.046 1.00 0.00 C ATOM 173 CG LEU A 14 -9.667 11.282 -10.992 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.379 10.475 -10.925 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.654 12.211 -12.197 1.00 0.00 C ATOM 0 H LEU A 14 -13.067 9.662 -10.117 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.214 12.033 -11.162 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.022 9.916 -10.057 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.652 9.531 -11.726 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.739 11.890 -10.090 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.526 11.153 -10.887 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.387 9.851 -10.031 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.300 9.842 -11.809 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.784 12.866 -12.142 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.606 11.620 -13.112 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.562 12.814 -12.202 1.00 0.00 H new ATOM 187 N HIS A 15 -12.244 9.755 -13.572 1.00 0.00 N ATOM 188 CA HIS A 15 -12.341 9.584 -15.018 1.00 0.00 C ATOM 189 C HIS A 15 -13.557 10.321 -15.572 1.00 0.00 C ATOM 190 O HIS A 15 -13.423 11.356 -16.223 1.00 0.00 O ATOM 191 CB HIS A 15 -12.424 8.099 -15.372 1.00 0.00 C ATOM 192 CG HIS A 15 -12.390 7.832 -16.846 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.307 8.142 -17.641 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.313 7.280 -17.667 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.566 7.793 -18.889 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.777 7.267 -18.931 1.00 0.00 N ATOM 0 H HIS A 15 -12.125 8.886 -13.051 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.445 10.008 -15.471 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.596 7.574 -14.897 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.343 7.686 -14.957 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.289 6.917 -17.381 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.901 7.917 -19.731 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.239 6.909 -19.767 1.00 0.00 H new ATOM 204 N GLU A 16 -14.742 9.779 -15.308 1.00 0.00 N ATOM 205 CA GLU A 16 -15.981 10.385 -15.782 1.00 0.00 C ATOM 206 C GLU A 16 -15.920 11.906 -15.672 1.00 0.00 C ATOM 207 O GLU A 16 -16.376 12.622 -16.563 1.00 0.00 O ATOM 208 CB GLU A 16 -17.173 9.852 -14.984 1.00 0.00 C ATOM 209 CG GLU A 16 -17.522 8.408 -15.302 1.00 0.00 C ATOM 210 CD GLU A 16 -18.892 8.012 -14.787 1.00 0.00 C ATOM 211 OE1 GLU A 16 -18.982 7.556 -13.628 1.00 0.00 O ATOM 212 OE2 GLU A 16 -19.875 8.158 -15.544 1.00 0.00 O ATOM 0 H GLU A 16 -14.870 8.922 -14.769 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.107 10.119 -16.831 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.954 9.938 -13.920 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.042 10.479 -15.183 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.487 8.259 -16.381 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.770 7.752 -14.865 1.00 0.00 H new ATOM 219 N TYR A 17 -15.353 12.391 -14.572 1.00 0.00 N ATOM 220 CA TYR A 17 -15.235 13.826 -14.343 1.00 0.00 C ATOM 221 C TYR A 17 -14.343 14.474 -15.397 1.00 0.00 C ATOM 222 O TYR A 17 -14.770 15.373 -16.120 1.00 0.00 O ATOM 223 CB TYR A 17 -14.672 14.095 -12.947 1.00 0.00 C ATOM 224 CG TYR A 17 -13.978 15.433 -12.822 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.707 16.602 -12.644 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.593 15.527 -12.880 1.00 0.00 C ATOM 227 CE1 TYR A 17 -14.077 17.826 -12.531 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.954 16.747 -12.765 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.701 17.894 -12.591 1.00 0.00 C ATOM 230 OH TYR A 17 -12.069 19.111 -12.477 1.00 0.00 O ATOM 0 H TYR A 17 -14.968 11.812 -13.826 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.230 14.264 -14.417 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.484 14.047 -12.221 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.967 13.304 -12.690 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.785 16.553 -12.593 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.006 14.631 -13.017 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.659 18.726 -12.396 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.876 16.802 -12.811 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.306 19.028 -11.867 1.00 0.00 H new ATOM 240 N GLY A 18 -13.100 14.009 -15.478 1.00 0.00 N ATOM 241 CA GLY A 18 -12.166 14.554 -16.447 1.00 0.00 C ATOM 242 C GLY A 18 -12.843 14.956 -17.742 1.00 0.00 C ATOM 243 O GLY A 18 -12.601 16.044 -18.265 1.00 0.00 O ATOM 0 H GLY A 18 -12.723 13.265 -14.891 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.666 15.422 -16.017 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.394 13.814 -16.659 1.00 0.00 H new ATOM 247 N MET A 19 -13.693 14.076 -18.262 1.00 0.00 N ATOM 248 CA MET A 19 -14.406 14.346 -19.505 1.00 0.00 C ATOM 249 C MET A 19 -14.884 15.794 -19.554 1.00 0.00 C ATOM 250 O MET A 19 -14.699 16.486 -20.556 1.00 0.00 O ATOM 251 CB MET A 19 -15.599 13.399 -19.650 1.00 0.00 C ATOM 252 CG MET A 19 -15.202 11.936 -19.764 1.00 0.00 C ATOM 253 SD MET A 19 -16.622 10.825 -19.723 1.00 0.00 S ATOM 254 CE MET A 19 -15.805 9.233 -19.659 1.00 0.00 C ATOM 0 H MET A 19 -13.904 13.171 -17.842 1.00 0.00 H new ATOM 0 HA MET A 19 -13.717 14.181 -20.333 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.257 13.523 -18.790 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.172 13.682 -20.533 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.653 11.784 -20.694 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.524 11.683 -18.949 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.553 8.441 -19.629 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.180 9.109 -20.543 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.184 9.179 -18.765 1.00 0.00 H new ATOM 264 N LYS A 20 -15.499 16.247 -18.467 1.00 0.00 N ATOM 265 CA LYS A 20 -16.002 17.613 -18.385 1.00 0.00 C ATOM 266 C LYS A 20 -14.900 18.619 -18.701 1.00 0.00 C ATOM 267 O LYS A 20 -15.072 19.501 -19.544 1.00 0.00 O ATOM 268 CB LYS A 20 -16.572 17.886 -16.992 1.00 0.00 C ATOM 269 CG LYS A 20 -18.054 17.574 -16.869 1.00 0.00 C ATOM 270 CD LYS A 20 -18.287 16.143 -16.416 1.00 0.00 C ATOM 271 CE LYS A 20 -18.029 15.980 -14.927 1.00 0.00 C ATOM 272 NZ LYS A 20 -18.489 14.655 -14.425 1.00 0.00 N ATOM 0 H LYS A 20 -15.661 15.687 -17.630 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.795 17.726 -19.124 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.023 17.293 -16.261 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.408 18.934 -16.740 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.514 18.261 -16.158 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.542 17.736 -17.830 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.312 15.851 -16.643 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.634 15.473 -16.975 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.963 16.093 -14.729 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.541 16.773 -14.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.091 14.485 -13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.527 14.646 -14.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.171 13.908 -15.075 1.00 0.00 H new ATOM 286 N THR A 21 -13.766 18.481 -18.021 1.00 0.00 N ATOM 287 CA THR A 21 -12.636 19.377 -18.229 1.00 0.00 C ATOM 288 C THR A 21 -11.794 18.932 -19.419 1.00 0.00 C ATOM 289 O THR A 21 -10.574 19.103 -19.429 1.00 0.00 O ATOM 290 CB THR A 21 -11.739 19.450 -16.979 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.149 18.171 -16.724 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.539 19.896 -15.764 1.00 0.00 C ATOM 0 H THR A 21 -13.606 17.757 -17.321 1.00 0.00 H new ATOM 0 HA THR A 21 -13.049 20.366 -18.429 1.00 0.00 H new ATOM 0 HB THR A 21 -10.953 20.182 -17.166 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.630 17.482 -17.229 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.884 19.940 -14.894 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.963 20.883 -15.950 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.344 19.185 -15.577 1.00 0.00 H new ATOM 300 N LYS A 22 -12.451 18.362 -20.423 1.00 0.00 N ATOM 301 CA LYS A 22 -11.764 17.894 -21.621 1.00 0.00 C ATOM 302 C LYS A 22 -10.391 17.326 -21.273 1.00 0.00 C ATOM 303 O LYS A 22 -9.455 17.410 -22.067 1.00 0.00 O ATOM 304 CB LYS A 22 -11.614 19.037 -22.628 1.00 0.00 C ATOM 305 CG LYS A 22 -12.932 19.688 -23.009 1.00 0.00 C ATOM 306 CD LYS A 22 -13.807 18.744 -23.817 1.00 0.00 C ATOM 307 CE LYS A 22 -14.891 19.498 -24.572 1.00 0.00 C ATOM 308 NZ LYS A 22 -15.446 18.694 -25.696 1.00 0.00 N ATOM 0 H LYS A 22 -13.460 18.213 -20.431 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.364 17.101 -22.068 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.952 19.795 -22.209 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.133 18.656 -23.529 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.462 19.994 -22.107 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.739 20.591 -23.587 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.190 18.189 -24.523 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.267 18.013 -23.152 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.694 19.764 -23.885 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.481 20.431 -24.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.182 19.243 -26.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.685 18.461 -26.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.860 17.816 -25.323 1.00 0.00 H new ATOM 322 N ASN A 23 -10.280 16.746 -20.082 1.00 0.00 N ATOM 323 CA ASN A 23 -9.022 16.163 -19.631 1.00 0.00 C ATOM 324 C ASN A 23 -9.262 14.836 -18.917 1.00 0.00 C ATOM 325 O ASN A 23 -9.837 14.801 -17.828 1.00 0.00 O ATOM 326 CB ASN A 23 -8.293 17.132 -18.698 1.00 0.00 C ATOM 327 CG ASN A 23 -7.961 18.448 -19.375 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.549 18.475 -20.535 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.141 19.547 -18.651 1.00 0.00 N ATOM 0 H ASN A 23 -11.046 16.667 -19.413 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.402 15.976 -20.508 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.912 17.324 -17.822 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.373 16.667 -18.343 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.936 20.462 -19.053 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.485 19.476 -17.693 1.00 0.00 H new ATOM 336 N ILE A 24 -8.819 13.748 -19.538 1.00 0.00 N ATOM 337 CA ILE A 24 -8.985 12.419 -18.961 1.00 0.00 C ATOM 338 C ILE A 24 -7.755 12.012 -18.157 1.00 0.00 C ATOM 339 O ILE A 24 -6.615 12.243 -18.560 1.00 0.00 O ATOM 340 CB ILE A 24 -9.246 11.362 -20.050 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.502 11.719 -20.848 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.383 9.981 -19.425 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.733 11.901 -19.987 1.00 0.00 C ATOM 0 H ILE A 24 -8.343 13.760 -20.440 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.849 12.467 -18.299 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.397 11.348 -20.733 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.320 12.638 -21.406 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.693 10.934 -21.580 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.567 9.244 -20.207 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.464 9.728 -18.897 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.216 9.981 -18.723 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.585 12.152 -20.619 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.941 10.976 -19.449 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.561 12.706 -19.272 1.00 0.00 H new ATOM 355 N PRO A 25 -7.989 11.389 -16.993 1.00 0.00 N ATOM 356 CA PRO A 25 -6.913 10.934 -16.108 1.00 0.00 C ATOM 357 C PRO A 25 -6.140 9.757 -16.694 1.00 0.00 C ATOM 358 O PRO A 25 -6.669 8.653 -16.816 1.00 0.00 O ATOM 359 CB PRO A 25 -7.653 10.508 -14.838 1.00 0.00 C ATOM 360 CG PRO A 25 -9.027 10.160 -15.299 1.00 0.00 C ATOM 361 CD PRO A 25 -9.323 11.082 -16.450 1.00 0.00 C ATOM 0 HA PRO A 25 -6.166 11.711 -15.942 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.167 9.656 -14.364 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.674 11.313 -14.103 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.082 9.117 -15.610 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.753 10.292 -14.497 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.960 10.604 -17.194 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.840 11.983 -16.120 1.00 0.00 H new ATOM 369 N VAL A 26 -4.884 10.001 -17.055 1.00 0.00 N ATOM 370 CA VAL A 26 -4.037 8.961 -17.626 1.00 0.00 C ATOM 371 C VAL A 26 -3.445 8.074 -16.537 1.00 0.00 C ATOM 372 O VAL A 26 -3.192 8.529 -15.421 1.00 0.00 O ATOM 373 CB VAL A 26 -2.892 9.565 -18.461 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.438 10.550 -19.483 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.870 10.235 -17.555 1.00 0.00 C ATOM 0 H VAL A 26 -4.431 10.910 -16.962 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.671 8.358 -18.276 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.394 8.759 -19.000 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.614 10.966 -20.063 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.129 10.036 -20.151 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.962 11.355 -18.968 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.068 10.657 -18.161 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.353 11.031 -16.988 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.456 9.498 -16.866 1.00 0.00 H new ATOM 385 N TYR A 27 -3.225 6.807 -16.868 1.00 0.00 N ATOM 386 CA TYR A 27 -2.663 5.854 -15.917 1.00 0.00 C ATOM 387 C TYR A 27 -1.534 5.050 -16.554 1.00 0.00 C ATOM 388 O TYR A 27 -1.759 4.271 -17.479 1.00 0.00 O ATOM 389 CB TYR A 27 -3.752 4.910 -15.406 1.00 0.00 C ATOM 390 CG TYR A 27 -4.843 5.608 -14.627 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.808 6.371 -15.274 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.910 5.505 -13.243 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.806 7.011 -14.566 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.905 6.141 -12.526 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.850 6.893 -13.192 1.00 0.00 C ATOM 396 OH TYR A 27 -7.844 7.529 -12.483 1.00 0.00 O ATOM 0 H TYR A 27 -3.427 6.415 -17.788 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.255 6.415 -15.077 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.198 4.391 -16.254 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.294 4.150 -14.772 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.777 6.465 -16.349 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.171 4.917 -12.718 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.548 7.600 -15.085 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.943 6.050 -11.451 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.617 6.933 -12.397 1.00 0.00 H new ATOM 406 N GLU A 28 -0.320 5.246 -16.050 1.00 0.00 N ATOM 407 CA GLU A 28 0.845 4.539 -16.570 1.00 0.00 C ATOM 408 C GLU A 28 1.632 3.882 -15.439 1.00 0.00 C ATOM 409 O GLU A 28 1.767 4.447 -14.353 1.00 0.00 O ATOM 410 CB GLU A 28 1.750 5.501 -17.343 1.00 0.00 C ATOM 411 CG GLU A 28 1.451 5.554 -18.832 1.00 0.00 C ATOM 412 CD GLU A 28 0.374 6.564 -19.175 1.00 0.00 C ATOM 413 OE1 GLU A 28 0.194 7.526 -18.398 1.00 0.00 O ATOM 414 OE2 GLU A 28 -0.289 6.394 -20.219 1.00 0.00 O ATOM 0 H GLU A 28 -0.117 5.887 -15.283 1.00 0.00 H new ATOM 0 HA GLU A 28 0.493 3.760 -17.246 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.644 6.502 -16.924 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.789 5.203 -17.200 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.364 5.804 -19.373 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.139 4.566 -19.172 1.00 0.00 H new ATOM 421 N CYS A 29 2.147 2.686 -15.703 1.00 0.00 N ATOM 422 CA CYS A 29 2.918 1.950 -14.707 1.00 0.00 C ATOM 423 C CYS A 29 4.405 2.267 -14.830 1.00 0.00 C ATOM 424 O CYS A 29 5.027 1.986 -15.854 1.00 0.00 O ATOM 425 CB CYS A 29 2.690 0.446 -14.865 1.00 0.00 C ATOM 426 SG CYS A 29 3.084 -0.192 -16.510 1.00 0.00 S ATOM 0 H CYS A 29 2.045 2.206 -16.597 1.00 0.00 H new ATOM 0 HA CYS A 29 2.579 2.259 -13.718 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.295 -0.082 -14.128 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.647 0.222 -14.640 1.00 0.00 H new ATOM 0 HG CYS A 29 4.130 0.424 -16.975 1.00 0.00 H new ATOM 432 N GLU A 30 4.969 2.853 -13.778 1.00 0.00 N ATOM 433 CA GLU A 30 6.383 3.210 -13.770 1.00 0.00 C ATOM 434 C GLU A 30 7.239 2.030 -13.320 1.00 0.00 C ATOM 435 O GLU A 30 8.078 1.535 -14.073 1.00 0.00 O ATOM 436 CB GLU A 30 6.624 4.409 -12.851 1.00 0.00 C ATOM 437 CG GLU A 30 6.171 5.732 -13.444 1.00 0.00 C ATOM 438 CD GLU A 30 7.207 6.343 -14.368 1.00 0.00 C ATOM 439 OE1 GLU A 30 7.635 5.655 -15.318 1.00 0.00 O ATOM 440 OE2 GLU A 30 7.590 7.509 -14.140 1.00 0.00 O ATOM 0 H GLU A 30 4.469 3.090 -12.921 1.00 0.00 H new ATOM 0 HA GLU A 30 6.670 3.478 -14.787 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.101 4.245 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.687 4.470 -12.619 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.243 5.580 -13.995 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.952 6.431 -12.637 1.00 0.00 H new ATOM 447 N ARG A 31 7.022 1.585 -12.087 1.00 0.00 N ATOM 448 CA ARG A 31 7.774 0.464 -11.535 1.00 0.00 C ATOM 449 C ARG A 31 6.869 -0.746 -11.323 1.00 0.00 C ATOM 450 O ARG A 31 5.780 -0.628 -10.761 1.00 0.00 O ATOM 451 CB ARG A 31 8.428 0.864 -10.211 1.00 0.00 C ATOM 452 CG ARG A 31 9.804 1.488 -10.376 1.00 0.00 C ATOM 453 CD ARG A 31 10.862 0.434 -10.664 1.00 0.00 C ATOM 454 NE ARG A 31 11.358 -0.193 -9.442 1.00 0.00 N ATOM 455 CZ ARG A 31 12.316 0.330 -8.684 1.00 0.00 C ATOM 456 NH1 ARG A 31 12.878 1.482 -9.021 1.00 0.00 N ATOM 457 NH2 ARG A 31 12.712 -0.301 -7.586 1.00 0.00 N ATOM 0 H ARG A 31 6.331 1.983 -11.451 1.00 0.00 H new ATOM 0 HA ARG A 31 8.552 0.193 -12.249 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.778 1.569 -9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.512 -0.018 -9.576 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.781 2.214 -11.189 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.069 2.033 -9.470 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.443 -0.330 -11.319 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.694 0.892 -11.199 1.00 0.00 H new ATOM 0 HE ARG A 31 10.947 -1.081 -9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.575 1.970 -9.864 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.613 1.881 -8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.281 -1.188 -7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.447 0.100 -7.004 1.00 0.00 H new ATOM 471 N SER A 32 7.328 -1.908 -11.776 1.00 0.00 N ATOM 472 CA SER A 32 6.558 -3.139 -11.640 1.00 0.00 C ATOM 473 C SER A 32 7.423 -4.260 -11.070 1.00 0.00 C ATOM 474 O SER A 32 8.216 -4.872 -11.786 1.00 0.00 O ATOM 475 CB SER A 32 5.985 -3.560 -12.994 1.00 0.00 C ATOM 476 OG SER A 32 5.078 -2.589 -13.488 1.00 0.00 O ATOM 0 H SER A 32 8.229 -2.023 -12.240 1.00 0.00 H new ATOM 0 HA SER A 32 5.736 -2.950 -10.949 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.796 -3.701 -13.708 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.477 -4.519 -12.895 1.00 0.00 H new ATOM 0 HG SER A 32 4.159 -2.895 -13.340 1.00 0.00 H new ATOM 482 N ASP A 33 7.264 -4.523 -9.778 1.00 0.00 N ATOM 483 CA ASP A 33 8.028 -5.570 -9.111 1.00 0.00 C ATOM 484 C ASP A 33 7.129 -6.743 -8.734 1.00 0.00 C ATOM 485 O ASP A 33 6.112 -6.569 -8.062 1.00 0.00 O ATOM 486 CB ASP A 33 8.713 -5.014 -7.861 1.00 0.00 C ATOM 487 CG ASP A 33 10.079 -4.430 -8.160 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.238 -3.815 -9.235 1.00 0.00 O ATOM 489 OD2 ASP A 33 10.990 -4.588 -7.320 1.00 0.00 O ATOM 0 H ASP A 33 6.612 -4.025 -9.171 1.00 0.00 H new ATOM 0 HA ASP A 33 8.789 -5.927 -9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.082 -4.245 -7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.815 -5.809 -7.122 1.00 0.00 H new ATOM 494 N VAL A 34 7.509 -7.939 -9.173 1.00 0.00 N ATOM 495 CA VAL A 34 6.738 -9.141 -8.882 1.00 0.00 C ATOM 496 C VAL A 34 7.512 -10.083 -7.966 1.00 0.00 C ATOM 497 O VAL A 34 8.443 -10.760 -8.401 1.00 0.00 O ATOM 498 CB VAL A 34 6.361 -9.892 -10.173 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.260 -9.154 -10.918 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.584 -10.076 -11.058 1.00 0.00 C ATOM 0 H VAL A 34 8.347 -8.101 -9.732 1.00 0.00 H new ATOM 0 HA VAL A 34 5.827 -8.818 -8.379 1.00 0.00 H new ATOM 0 HB VAL A 34 5.985 -10.879 -9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.007 -9.699 -11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.378 -9.079 -10.282 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.605 -8.154 -11.179 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.300 -10.608 -11.966 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.992 -9.100 -11.322 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.338 -10.651 -10.521 1.00 0.00 H new ATOM 510 N GLN A 35 7.119 -10.121 -6.697 1.00 0.00 N ATOM 511 CA GLN A 35 7.777 -10.980 -5.720 1.00 0.00 C ATOM 512 C GLN A 35 6.761 -11.858 -4.997 1.00 0.00 C ATOM 513 O GLN A 35 6.936 -13.073 -4.899 1.00 0.00 O ATOM 514 CB GLN A 35 8.552 -10.135 -4.706 1.00 0.00 C ATOM 515 CG GLN A 35 9.592 -9.227 -5.341 1.00 0.00 C ATOM 516 CD GLN A 35 10.333 -8.386 -4.320 1.00 0.00 C ATOM 517 OE1 GLN A 35 9.854 -8.178 -3.205 1.00 0.00 O ATOM 518 NE2 GLN A 35 11.509 -7.898 -4.696 1.00 0.00 N ATOM 0 H GLN A 35 6.349 -9.567 -6.322 1.00 0.00 H new ATOM 0 HA GLN A 35 8.475 -11.626 -6.253 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.848 -9.526 -4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.045 -10.797 -3.995 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.308 -9.833 -5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.104 -8.571 -6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.868 -8.096 -5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.053 -7.326 -4.051 1.00 0.00 H new ATOM 527 N ILE A 36 5.701 -11.236 -4.492 1.00 0.00 N ATOM 528 CA ILE A 36 4.658 -11.962 -3.778 1.00 0.00 C ATOM 529 C ILE A 36 3.375 -12.029 -4.599 1.00 0.00 C ATOM 530 O ILE A 36 3.258 -11.383 -5.642 1.00 0.00 O ATOM 531 CB ILE A 36 4.350 -11.312 -2.417 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.719 -9.932 -2.617 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.618 -11.204 -1.582 1.00 0.00 C ATOM 534 CD1 ILE A 36 4.713 -8.866 -3.021 1.00 0.00 C ATOM 0 H ILE A 36 5.542 -10.231 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 36 5.034 -12.972 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 36 3.639 -11.942 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.944 -10.003 -3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.228 -9.628 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.384 -10.742 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.029 -12.199 -1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.350 -10.593 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.196 -7.915 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.475 -8.767 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.186 -9.147 -3.962 1.00 0.00 H new ATOM 546 N HIS A 37 2.413 -12.812 -4.122 1.00 0.00 N ATOM 547 CA HIS A 37 1.136 -12.961 -4.810 1.00 0.00 C ATOM 548 C HIS A 37 0.645 -11.618 -5.341 1.00 0.00 C ATOM 549 O HIS A 37 0.242 -11.506 -6.499 1.00 0.00 O ATOM 550 CB HIS A 37 0.092 -13.563 -3.869 1.00 0.00 C ATOM 551 CG HIS A 37 -0.172 -12.728 -2.655 1.00 0.00 C ATOM 552 ND1 HIS A 37 -1.406 -12.183 -2.370 1.00 0.00 N ATOM 553 CD2 HIS A 37 0.647 -12.346 -1.647 1.00 0.00 C ATOM 554 CE1 HIS A 37 -1.334 -11.500 -1.241 1.00 0.00 C ATOM 555 NE2 HIS A 37 -0.099 -11.584 -0.782 1.00 0.00 N ATOM 0 H HIS A 37 2.494 -13.353 -3.261 1.00 0.00 H new ATOM 0 HA HIS A 37 1.283 -13.634 -5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.841 -13.700 -4.415 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.426 -14.552 -3.554 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.693 -12.594 -1.543 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.147 -10.964 -0.773 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.245 -11.153 0.076 1.00 0.00 H new ATOM 563 N VAL A 38 0.681 -10.600 -4.487 1.00 0.00 N ATOM 564 CA VAL A 38 0.240 -9.264 -4.869 1.00 0.00 C ATOM 565 C VAL A 38 1.429 -8.347 -5.130 1.00 0.00 C ATOM 566 O VAL A 38 2.047 -7.814 -4.208 1.00 0.00 O ATOM 567 CB VAL A 38 -0.652 -8.635 -3.783 1.00 0.00 C ATOM 568 CG1 VAL A 38 0.065 -8.627 -2.442 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.066 -7.227 -4.184 1.00 0.00 C ATOM 0 H VAL A 38 1.011 -10.675 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.340 -9.372 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.553 -9.239 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.581 -8.179 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.306 -9.650 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.984 -8.047 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.696 -6.797 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.177 -6.609 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.622 -7.264 -5.121 1.00 0.00 H new ATOM 579 N PRO A 39 1.759 -8.156 -6.416 1.00 0.00 N ATOM 580 CA PRO A 39 2.877 -7.301 -6.828 1.00 0.00 C ATOM 581 C PRO A 39 2.598 -5.823 -6.578 1.00 0.00 C ATOM 582 O PRO A 39 1.544 -5.458 -6.057 1.00 0.00 O ATOM 583 CB PRO A 39 2.999 -7.576 -8.328 1.00 0.00 C ATOM 584 CG PRO A 39 1.639 -8.021 -8.744 1.00 0.00 C ATOM 585 CD PRO A 39 1.067 -8.760 -7.566 1.00 0.00 C ATOM 0 HA PRO A 39 3.785 -7.518 -6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.306 -6.682 -8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.746 -8.344 -8.530 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.014 -7.169 -9.011 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.691 -8.666 -9.621 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.013 -8.632 -7.497 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.258 -9.831 -7.632 1.00 0.00 H new ATOM 593 N THR A 40 3.550 -4.974 -6.953 1.00 0.00 N ATOM 594 CA THR A 40 3.408 -3.536 -6.770 1.00 0.00 C ATOM 595 C THR A 40 3.539 -2.796 -8.096 1.00 0.00 C ATOM 596 O THR A 40 4.517 -2.974 -8.824 1.00 0.00 O ATOM 597 CB THR A 40 4.458 -2.988 -5.784 1.00 0.00 C ATOM 598 OG1 THR A 40 5.767 -3.098 -6.352 1.00 0.00 O ATOM 599 CG2 THR A 40 4.407 -3.745 -4.465 1.00 0.00 C ATOM 0 H THR A 40 4.429 -5.259 -7.386 1.00 0.00 H new ATOM 0 HA THR A 40 2.412 -3.368 -6.360 1.00 0.00 H new ATOM 0 HB THR A 40 4.233 -1.939 -5.592 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.694 -3.216 -7.322 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.157 -3.341 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.418 -3.636 -4.021 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.610 -4.801 -4.643 1.00 0.00 H new ATOM 607 N PHE A 41 2.549 -1.965 -8.406 1.00 0.00 N ATOM 608 CA PHE A 41 2.555 -1.198 -9.646 1.00 0.00 C ATOM 609 C PHE A 41 2.347 0.287 -9.368 1.00 0.00 C ATOM 610 O PHE A 41 1.349 0.685 -8.766 1.00 0.00 O ATOM 611 CB PHE A 41 1.465 -1.709 -10.591 1.00 0.00 C ATOM 612 CG PHE A 41 1.824 -2.993 -11.282 1.00 0.00 C ATOM 613 CD1 PHE A 41 2.001 -4.160 -10.556 1.00 0.00 C ATOM 614 CD2 PHE A 41 1.986 -3.033 -12.658 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.332 -5.344 -11.189 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.316 -4.214 -13.296 1.00 0.00 C ATOM 617 CZ PHE A 41 2.490 -5.370 -12.561 1.00 0.00 C ATOM 0 H PHE A 41 1.733 -1.806 -7.816 1.00 0.00 H new ATOM 0 HA PHE A 41 3.528 -1.328 -10.120 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.545 -1.855 -10.026 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.260 -0.946 -11.342 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.879 -4.145 -9.483 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.853 -2.132 -13.238 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.467 -6.247 -10.612 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.438 -4.233 -14.369 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.749 -6.293 -13.058 1.00 0.00 H new ATOM 627 N THR A 42 3.297 1.105 -9.810 1.00 0.00 N ATOM 628 CA THR A 42 3.221 2.546 -9.608 1.00 0.00 C ATOM 629 C THR A 42 2.462 3.221 -10.744 1.00 0.00 C ATOM 630 O THR A 42 3.006 3.432 -11.828 1.00 0.00 O ATOM 631 CB THR A 42 4.623 3.173 -9.498 1.00 0.00 C ATOM 632 OG1 THR A 42 5.358 2.549 -8.439 1.00 0.00 O ATOM 633 CG2 THR A 42 4.528 4.670 -9.242 1.00 0.00 C ATOM 0 H THR A 42 4.129 0.793 -10.311 1.00 0.00 H new ATOM 0 HA THR A 42 2.686 2.706 -8.672 1.00 0.00 H new ATOM 0 HB THR A 42 5.143 3.014 -10.443 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.685 3.234 -7.820 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.531 5.091 -9.168 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.994 5.147 -10.064 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.991 4.846 -8.310 1.00 0.00 H new ATOM 641 N PHE A 43 1.202 3.559 -10.490 1.00 0.00 N ATOM 642 CA PHE A 43 0.368 4.211 -11.493 1.00 0.00 C ATOM 643 C PHE A 43 0.408 5.727 -11.331 1.00 0.00 C ATOM 644 O PHE A 43 0.166 6.253 -10.245 1.00 0.00 O ATOM 645 CB PHE A 43 -1.075 3.713 -11.388 1.00 0.00 C ATOM 646 CG PHE A 43 -1.358 2.510 -12.241 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.274 2.587 -13.621 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.708 1.300 -11.661 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.534 1.481 -14.408 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.969 0.191 -12.443 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.881 0.281 -13.818 1.00 0.00 C ATOM 0 H PHE A 43 0.736 3.392 -9.598 1.00 0.00 H new ATOM 0 HA PHE A 43 0.762 3.958 -12.478 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.292 3.470 -10.348 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.751 4.519 -11.675 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.002 3.522 -14.088 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.777 1.224 -10.586 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.466 1.555 -15.483 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.242 -0.745 -11.979 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.083 -0.585 -14.431 1.00 0.00 H new ATOM 661 N ARG A 44 0.716 6.424 -12.420 1.00 0.00 N ATOM 662 CA ARG A 44 0.790 7.880 -12.400 1.00 0.00 C ATOM 663 C ARG A 44 -0.475 8.497 -12.987 1.00 0.00 C ATOM 664 O ARG A 44 -0.869 8.182 -14.111 1.00 0.00 O ATOM 665 CB ARG A 44 2.015 8.361 -13.181 1.00 0.00 C ATOM 666 CG ARG A 44 2.278 9.852 -13.045 1.00 0.00 C ATOM 667 CD ARG A 44 3.761 10.168 -13.155 1.00 0.00 C ATOM 668 NE ARG A 44 4.299 9.821 -14.468 1.00 0.00 N ATOM 669 CZ ARG A 44 5.433 10.315 -14.952 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.145 11.173 -14.235 1.00 0.00 N ATOM 671 NH2 ARG A 44 5.856 9.951 -16.155 1.00 0.00 N ATOM 0 H ARG A 44 0.918 6.004 -13.327 1.00 0.00 H new ATOM 0 HA ARG A 44 0.881 8.199 -11.362 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.892 7.813 -12.837 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.881 8.119 -14.235 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.732 10.391 -13.819 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.900 10.203 -12.085 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.920 11.230 -12.967 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.306 9.623 -12.384 1.00 0.00 H new ATOM 0 HE ARG A 44 3.775 9.163 -15.045 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.822 11.455 -13.309 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.016 11.551 -14.609 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.310 9.291 -16.709 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.727 10.331 -16.526 1.00 0.00 H new ATOM 685 N VAL A 45 -1.110 9.378 -12.220 1.00 0.00 N ATOM 686 CA VAL A 45 -2.331 10.039 -12.664 1.00 0.00 C ATOM 687 C VAL A 45 -2.068 11.500 -13.015 1.00 0.00 C ATOM 688 O VAL A 45 -1.633 12.285 -12.171 1.00 0.00 O ATOM 689 CB VAL A 45 -3.430 9.971 -11.587 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.223 11.059 -10.543 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.807 10.086 -12.223 1.00 0.00 C ATOM 0 H VAL A 45 -0.798 9.650 -11.288 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.672 9.510 -13.554 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.365 9.004 -11.087 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.009 10.995 -9.790 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.252 10.926 -10.066 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.260 12.036 -11.024 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.571 10.036 -11.447 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.886 11.037 -12.750 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.952 9.268 -12.928 1.00 0.00 H new ATOM 701 N THR A 46 -2.335 11.859 -14.267 1.00 0.00 N ATOM 702 CA THR A 46 -2.127 13.225 -14.730 1.00 0.00 C ATOM 703 C THR A 46 -3.428 13.838 -15.235 1.00 0.00 C ATOM 704 O THR A 46 -3.968 13.419 -16.259 1.00 0.00 O ATOM 705 CB THR A 46 -1.076 13.282 -15.855 1.00 0.00 C ATOM 706 OG1 THR A 46 0.145 12.676 -15.416 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.811 14.720 -16.275 1.00 0.00 C ATOM 0 H THR A 46 -2.696 11.223 -14.978 1.00 0.00 H new ATOM 0 HA THR A 46 -1.766 13.797 -13.875 1.00 0.00 H new ATOM 0 HB THR A 46 -1.465 12.735 -16.714 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.601 13.276 -14.789 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.066 14.735 -17.070 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.736 15.170 -16.636 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.441 15.286 -15.420 1.00 0.00 H new ATOM 715 N VAL A 47 -3.927 14.835 -14.510 1.00 0.00 N ATOM 716 CA VAL A 47 -5.165 15.508 -14.885 1.00 0.00 C ATOM 717 C VAL A 47 -4.951 17.010 -15.031 1.00 0.00 C ATOM 718 O VAL A 47 -4.846 17.732 -14.040 1.00 0.00 O ATOM 719 CB VAL A 47 -6.277 15.256 -13.849 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.503 16.098 -14.167 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.633 13.778 -13.799 1.00 0.00 C ATOM 0 H VAL A 47 -3.493 15.194 -13.660 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.473 15.093 -15.845 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.908 15.551 -12.866 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.278 15.907 -13.425 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.234 17.154 -14.147 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.877 15.837 -15.157 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.420 13.618 -13.062 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.983 13.455 -14.779 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.752 13.201 -13.520 1.00 0.00 H new ATOM 731 N GLY A 48 -4.889 17.476 -16.275 1.00 0.00 N ATOM 732 CA GLY A 48 -4.688 18.890 -16.528 1.00 0.00 C ATOM 733 C GLY A 48 -3.320 19.370 -16.086 1.00 0.00 C ATOM 734 O GLY A 48 -2.373 19.380 -16.873 1.00 0.00 O ATOM 0 H GLY A 48 -4.974 16.899 -17.112 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.812 19.086 -17.593 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.456 19.462 -16.007 1.00 0.00 H new ATOM 738 N ASP A 49 -3.215 19.772 -14.823 1.00 0.00 N ATOM 739 CA ASP A 49 -1.953 20.256 -14.277 1.00 0.00 C ATOM 740 C ASP A 49 -1.538 19.438 -13.059 1.00 0.00 C ATOM 741 O ASP A 49 -0.366 19.417 -12.683 1.00 0.00 O ATOM 742 CB ASP A 49 -2.070 21.734 -13.899 1.00 0.00 C ATOM 743 CG ASP A 49 -2.410 22.611 -15.088 1.00 0.00 C ATOM 744 OD1 ASP A 49 -3.581 22.595 -15.521 1.00 0.00 O ATOM 745 OD2 ASP A 49 -1.504 23.312 -15.586 1.00 0.00 O ATOM 0 H ASP A 49 -3.989 19.772 -14.159 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.187 20.145 -15.044 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.838 21.851 -13.134 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.130 22.069 -13.461 1.00 0.00 H new ATOM 750 N ILE A 50 -2.507 18.766 -12.446 1.00 0.00 N ATOM 751 CA ILE A 50 -2.242 17.946 -11.270 1.00 0.00 C ATOM 752 C ILE A 50 -1.721 16.569 -11.667 1.00 0.00 C ATOM 753 O ILE A 50 -2.303 15.893 -12.516 1.00 0.00 O ATOM 754 CB ILE A 50 -3.505 17.776 -10.406 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.069 19.143 -10.013 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.192 16.950 -9.167 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.507 19.092 -9.546 1.00 0.00 C ATOM 0 H ILE A 50 -3.482 18.773 -12.744 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.481 18.466 -10.687 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.258 17.248 -10.990 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.453 19.567 -9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.997 19.816 -10.867 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.095 16.839 -8.566 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.832 15.966 -9.467 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.425 17.453 -8.579 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.840 20.096 -9.284 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.135 18.698 -10.345 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.583 18.445 -8.672 1.00 0.00 H new ATOM 769 N THR A 51 -0.621 16.156 -11.045 1.00 0.00 N ATOM 770 CA THR A 51 -0.022 14.859 -11.331 1.00 0.00 C ATOM 771 C THR A 51 0.335 14.122 -10.046 1.00 0.00 C ATOM 772 O THR A 51 1.118 14.616 -9.233 1.00 0.00 O ATOM 773 CB THR A 51 1.246 15.005 -12.195 1.00 0.00 C ATOM 774 OG1 THR A 51 0.884 15.276 -13.554 1.00 0.00 O ATOM 775 CG2 THR A 51 2.091 13.741 -12.132 1.00 0.00 C ATOM 0 H THR A 51 -0.127 16.702 -10.339 1.00 0.00 H new ATOM 0 HA THR A 51 -0.765 14.282 -11.882 1.00 0.00 H new ATOM 0 HB THR A 51 1.833 15.836 -11.804 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.695 15.369 -14.096 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.981 13.867 -12.749 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.389 13.553 -11.100 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.510 12.896 -12.501 1.00 0.00 H new ATOM 783 N CYS A 52 -0.243 12.940 -9.867 1.00 0.00 N ATOM 784 CA CYS A 52 0.015 12.134 -8.679 1.00 0.00 C ATOM 785 C CYS A 52 0.470 10.730 -9.062 1.00 0.00 C ATOM 786 O CYS A 52 0.578 10.401 -10.244 1.00 0.00 O ATOM 787 CB CYS A 52 -1.241 12.056 -7.809 1.00 0.00 C ATOM 788 SG CYS A 52 -1.653 13.603 -6.968 1.00 0.00 S ATOM 0 H CYS A 52 -0.894 12.518 -10.529 1.00 0.00 H new ATOM 0 HA CYS A 52 0.813 12.612 -8.112 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.084 11.758 -8.432 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.105 11.274 -7.062 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.445 13.472 -5.692 1.00 0.00 H new ATOM 794 N THR A 53 0.740 9.905 -8.055 1.00 0.00 N ATOM 795 CA THR A 53 1.187 8.537 -8.286 1.00 0.00 C ATOM 796 C THR A 53 0.782 7.625 -7.134 1.00 0.00 C ATOM 797 O THR A 53 0.884 8.000 -5.967 1.00 0.00 O ATOM 798 CB THR A 53 2.715 8.469 -8.467 1.00 0.00 C ATOM 799 OG1 THR A 53 3.366 8.628 -7.202 1.00 0.00 O ATOM 800 CG2 THR A 53 3.194 9.546 -9.429 1.00 0.00 C ATOM 0 H THR A 53 0.657 10.161 -7.071 1.00 0.00 H new ATOM 0 HA THR A 53 0.704 8.197 -9.202 1.00 0.00 H new ATOM 0 HB THR A 53 2.966 7.494 -8.884 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.337 8.582 -7.326 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.276 9.478 -9.541 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.719 9.404 -10.400 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.931 10.528 -9.036 1.00 0.00 H new ATOM 808 N GLY A 54 0.323 6.423 -7.470 1.00 0.00 N ATOM 809 CA GLY A 54 -0.090 5.475 -6.452 1.00 0.00 C ATOM 810 C GLY A 54 0.825 4.269 -6.377 1.00 0.00 C ATOM 811 O GLY A 54 0.717 3.349 -7.188 1.00 0.00 O ATOM 0 H GLY A 54 0.230 6.089 -8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.110 5.973 -5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.107 5.143 -6.660 1.00 0.00 H new ATOM 815 N GLU A 55 1.729 4.273 -5.403 1.00 0.00 N ATOM 816 CA GLU A 55 2.668 3.172 -5.228 1.00 0.00 C ATOM 817 C GLU A 55 2.358 2.388 -3.956 1.00 0.00 C ATOM 818 O GLU A 55 1.964 2.962 -2.941 1.00 0.00 O ATOM 819 CB GLU A 55 4.104 3.699 -5.178 1.00 0.00 C ATOM 820 CG GLU A 55 5.149 2.606 -5.036 1.00 0.00 C ATOM 821 CD GLU A 55 6.566 3.133 -5.162 1.00 0.00 C ATOM 822 OE1 GLU A 55 6.800 4.006 -6.024 1.00 0.00 O ATOM 823 OE2 GLU A 55 7.440 2.671 -4.399 1.00 0.00 O ATOM 0 H GLU A 55 1.831 5.026 -4.723 1.00 0.00 H new ATOM 0 HA GLU A 55 2.564 2.502 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.305 4.267 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.199 4.392 -4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.031 2.119 -4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.979 1.845 -5.798 1.00 0.00 H new ATOM 830 N GLY A 56 2.537 1.072 -4.020 1.00 0.00 N ATOM 831 CA GLY A 56 2.271 0.231 -2.868 1.00 0.00 C ATOM 832 C GLY A 56 1.722 -1.128 -3.257 1.00 0.00 C ATOM 833 O GLY A 56 2.180 -2.157 -2.760 1.00 0.00 O ATOM 0 H GLY A 56 2.861 0.574 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.191 0.098 -2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.560 0.733 -2.212 1.00 0.00 H new ATOM 837 N THR A 57 0.735 -1.133 -4.148 1.00 0.00 N ATOM 838 CA THR A 57 0.121 -2.375 -4.601 1.00 0.00 C ATOM 839 C THR A 57 -0.044 -2.385 -6.116 1.00 0.00 C ATOM 840 O THR A 57 0.356 -1.443 -6.801 1.00 0.00 O ATOM 841 CB THR A 57 -1.255 -2.593 -3.945 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.274 -2.006 -2.639 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.577 -4.076 -3.844 1.00 0.00 C ATOM 0 H THR A 57 0.344 -0.291 -4.570 1.00 0.00 H new ATOM 0 HA THR A 57 0.789 -3.184 -4.305 1.00 0.00 H new ATOM 0 HB THR A 57 -2.010 -2.115 -4.569 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.613 -2.659 -1.992 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.554 -4.205 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.591 -4.514 -4.842 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.818 -4.573 -3.240 1.00 0.00 H new ATOM 851 N SER A 58 -0.635 -3.457 -6.635 1.00 0.00 N ATOM 852 CA SER A 58 -0.851 -3.591 -8.071 1.00 0.00 C ATOM 853 C SER A 58 -2.146 -2.905 -8.493 1.00 0.00 C ATOM 854 O SER A 58 -2.841 -2.304 -7.672 1.00 0.00 O ATOM 855 CB SER A 58 -0.891 -5.068 -8.466 1.00 0.00 C ATOM 856 OG SER A 58 -1.963 -5.739 -7.827 1.00 0.00 O ATOM 0 H SER A 58 -0.973 -4.245 -6.082 1.00 0.00 H new ATOM 0 HA SER A 58 -0.020 -3.107 -8.585 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.996 -5.156 -9.547 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.052 -5.545 -8.198 1.00 0.00 H new ATOM 0 HG SER A 58 -1.609 -6.456 -7.261 1.00 0.00 H new ATOM 862 N LYS A 59 -2.466 -2.998 -9.779 1.00 0.00 N ATOM 863 CA LYS A 59 -3.678 -2.389 -10.313 1.00 0.00 C ATOM 864 C LYS A 59 -4.817 -2.465 -9.301 1.00 0.00 C ATOM 865 O LYS A 59 -5.705 -1.612 -9.283 1.00 0.00 O ATOM 866 CB LYS A 59 -4.091 -3.080 -11.614 1.00 0.00 C ATOM 867 CG LYS A 59 -3.028 -3.023 -12.697 1.00 0.00 C ATOM 868 CD LYS A 59 -3.094 -4.238 -13.608 1.00 0.00 C ATOM 869 CE LYS A 59 -1.734 -4.562 -14.205 1.00 0.00 C ATOM 870 NZ LYS A 59 -0.914 -5.406 -13.292 1.00 0.00 N ATOM 0 H LYS A 59 -1.902 -3.490 -10.472 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.467 -1.339 -10.518 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.327 -4.123 -11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.004 -2.616 -11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.158 -2.116 -13.288 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.041 -2.965 -12.237 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.459 -5.097 -13.045 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.810 -4.055 -14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.868 -5.079 -15.155 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.201 -3.635 -14.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.068 -5.064 -13.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.300 -5.351 -12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.936 -6.393 -13.618 1.00 0.00 H new ATOM 884 N LYS A 60 -4.785 -3.492 -8.457 1.00 0.00 N ATOM 885 CA LYS A 60 -5.812 -3.679 -7.439 1.00 0.00 C ATOM 886 C LYS A 60 -6.019 -2.400 -6.634 1.00 0.00 C ATOM 887 O LYS A 60 -7.035 -1.719 -6.781 1.00 0.00 O ATOM 888 CB LYS A 60 -5.428 -4.827 -6.504 1.00 0.00 C ATOM 889 CG LYS A 60 -5.930 -6.184 -6.968 1.00 0.00 C ATOM 890 CD LYS A 60 -4.920 -6.874 -7.869 1.00 0.00 C ATOM 891 CE LYS A 60 -3.953 -7.732 -7.067 1.00 0.00 C ATOM 892 NZ LYS A 60 -4.605 -8.967 -6.550 1.00 0.00 N ATOM 0 H LYS A 60 -4.058 -4.208 -8.458 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.747 -3.926 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.342 -4.862 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.825 -4.623 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.135 -6.813 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.872 -6.061 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.444 -7.496 -8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.363 -6.126 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.104 -8.005 -7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.560 -7.152 -6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.876 -9.652 -6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.195 -8.730 -5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.200 -9.383 -7.295 1.00 0.00 H new ATOM 906 N LEU A 61 -5.050 -2.079 -5.784 1.00 0.00 N ATOM 907 CA LEU A 61 -5.126 -0.880 -4.956 1.00 0.00 C ATOM 908 C LEU A 61 -4.407 0.289 -5.622 1.00 0.00 C ATOM 909 O LEU A 61 -4.973 1.371 -5.778 1.00 0.00 O ATOM 910 CB LEU A 61 -4.517 -1.149 -3.578 1.00 0.00 C ATOM 911 CG LEU A 61 -3.870 0.051 -2.885 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.754 1.282 -3.012 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.597 -0.263 -1.421 1.00 0.00 C ATOM 0 H LEU A 61 -4.203 -2.631 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.177 -0.616 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.299 -1.541 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.766 -1.932 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.919 0.260 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.277 2.125 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.899 1.519 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.721 1.085 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.137 0.602 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.535 -0.499 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.924 -1.117 -1.352 1.00 0.00 H new ATOM 925 N ALA A 62 -3.158 0.062 -6.016 1.00 0.00 N ATOM 926 CA ALA A 62 -2.364 1.094 -6.670 1.00 0.00 C ATOM 927 C ALA A 62 -3.247 2.029 -7.490 1.00 0.00 C ATOM 928 O ALA A 62 -3.167 3.251 -7.358 1.00 0.00 O ATOM 929 CB ALA A 62 -1.299 0.461 -7.553 1.00 0.00 C ATOM 0 H ALA A 62 -2.675 -0.828 -5.893 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.874 1.685 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.714 1.244 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.642 -0.160 -6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.777 -0.156 -8.314 1.00 0.00 H new ATOM 935 N LYS A 63 -4.089 1.448 -8.338 1.00 0.00 N ATOM 936 CA LYS A 63 -4.988 2.228 -9.180 1.00 0.00 C ATOM 937 C LYS A 63 -5.905 3.103 -8.332 1.00 0.00 C ATOM 938 O LYS A 63 -5.934 4.324 -8.488 1.00 0.00 O ATOM 939 CB LYS A 63 -5.824 1.300 -10.064 1.00 0.00 C ATOM 940 CG LYS A 63 -6.211 1.917 -11.398 1.00 0.00 C ATOM 941 CD LYS A 63 -5.169 1.632 -12.467 1.00 0.00 C ATOM 942 CE LYS A 63 -5.589 2.193 -13.817 1.00 0.00 C ATOM 943 NZ LYS A 63 -5.046 1.387 -14.945 1.00 0.00 N ATOM 0 H LYS A 63 -4.167 0.438 -8.460 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.382 2.875 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.264 0.383 -10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.730 1.019 -9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.177 1.523 -11.716 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.329 2.994 -11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.214 2.068 -12.172 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.016 0.556 -12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.677 2.216 -13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.242 3.223 -13.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.116 1.933 -15.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.049 1.157 -14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.593 0.507 -15.038 1.00 0.00 H new ATOM 957 N HIS A 64 -6.654 2.471 -7.433 1.00 0.00 N ATOM 958 CA HIS A 64 -7.571 3.192 -6.559 1.00 0.00 C ATOM 959 C HIS A 64 -6.890 4.412 -5.945 1.00 0.00 C ATOM 960 O HIS A 64 -7.452 5.508 -5.933 1.00 0.00 O ATOM 961 CB HIS A 64 -8.086 2.271 -5.452 1.00 0.00 C ATOM 962 CG HIS A 64 -9.475 2.599 -4.997 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.605 2.100 -5.609 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.912 3.381 -3.982 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.678 2.562 -4.991 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.284 3.341 -4.000 1.00 0.00 N ATOM 0 H HIS A 64 -6.643 1.461 -7.291 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.414 3.532 -7.160 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.063 1.241 -5.808 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.410 2.329 -4.599 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.296 3.933 -3.288 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.702 2.340 -5.252 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.900 3.833 -3.353 1.00 0.00 H new ATOM 974 N ARG A 65 -5.679 4.214 -5.437 1.00 0.00 N ATOM 975 CA ARG A 65 -4.923 5.298 -4.820 1.00 0.00 C ATOM 976 C ARG A 65 -4.617 6.394 -5.836 1.00 0.00 C ATOM 977 O ARG A 65 -4.797 7.580 -5.557 1.00 0.00 O ATOM 978 CB ARG A 65 -3.619 4.763 -4.223 1.00 0.00 C ATOM 979 CG ARG A 65 -3.750 4.318 -2.776 1.00 0.00 C ATOM 980 CD ARG A 65 -2.524 3.542 -2.319 1.00 0.00 C ATOM 981 NE ARG A 65 -2.279 3.699 -0.888 1.00 0.00 N ATOM 982 CZ ARG A 65 -1.629 4.732 -0.363 1.00 0.00 C ATOM 983 NH1 ARG A 65 -1.163 5.695 -1.147 1.00 0.00 N ATOM 984 NH2 ARG A 65 -1.446 4.805 0.949 1.00 0.00 N ATOM 0 H ARG A 65 -5.200 3.314 -5.440 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.532 5.725 -4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.273 3.922 -4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.855 5.537 -4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.889 5.190 -2.137 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.638 3.696 -2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.657 2.485 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.651 3.883 -2.876 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.626 2.976 -0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.303 5.644 -2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.664 6.487 -0.741 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.804 4.068 1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.947 5.599 1.351 1.00 0.00 H new ATOM 998 N ALA A 66 -4.154 5.990 -7.014 1.00 0.00 N ATOM 999 CA ALA A 66 -3.826 6.938 -8.071 1.00 0.00 C ATOM 1000 C ALA A 66 -4.986 7.891 -8.335 1.00 0.00 C ATOM 1001 O ALA A 66 -4.809 9.109 -8.362 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.449 6.197 -9.346 1.00 0.00 C ATOM 0 H ALA A 66 -3.998 5.013 -7.260 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.972 7.530 -7.741 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.206 6.917 -10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.583 5.563 -9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.287 5.580 -9.669 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.175 7.329 -8.529 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.365 8.130 -8.789 1.00 0.00 C ATOM 1010 C ALA A 67 -7.789 8.904 -7.545 1.00 0.00 C ATOM 1011 O ALA A 67 -8.227 10.050 -7.636 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.502 7.242 -9.273 1.00 0.00 C ATOM 0 H ALA A 67 -6.340 6.323 -8.511 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.124 8.852 -9.569 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.385 7.853 -9.463 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.204 6.738 -10.192 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.733 6.498 -8.510 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.655 8.269 -6.385 1.00 0.00 N ATOM 1019 CA GLU A 68 -8.026 8.899 -5.123 1.00 0.00 C ATOM 1020 C GLU A 68 -7.264 10.206 -4.923 1.00 0.00 C ATOM 1021 O GLU A 68 -7.856 11.245 -4.633 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.752 7.951 -3.954 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.932 7.061 -3.602 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.711 6.278 -2.323 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.761 5.468 -2.279 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.488 6.475 -1.365 1.00 0.00 O ATOM 0 H GLU A 68 -7.293 7.320 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.092 9.122 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.895 7.324 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.477 8.538 -3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.827 7.675 -3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.116 6.366 -4.422 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.945 10.145 -5.079 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.101 11.322 -4.917 1.00 0.00 C ATOM 1035 C ALA A 69 -5.675 12.517 -5.671 1.00 0.00 C ATOM 1036 O ALA A 69 -6.119 13.491 -5.064 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.686 11.026 -5.391 1.00 0.00 C ATOM 0 H ALA A 69 -5.438 9.292 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.072 11.575 -3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.067 11.914 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.270 10.207 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.706 10.745 -6.444 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.661 12.435 -6.998 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.182 13.510 -7.834 1.00 0.00 C ATOM 1045 C ALA A 70 -7.454 14.102 -7.238 1.00 0.00 C ATOM 1046 O ALA A 70 -7.458 15.240 -6.767 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.444 13.001 -9.244 1.00 0.00 C ATOM 0 H ALA A 70 -5.295 11.636 -7.516 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.432 14.300 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.833 13.814 -9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.514 12.633 -9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.173 12.192 -9.209 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.531 13.325 -7.263 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.809 13.775 -6.725 1.00 0.00 C ATOM 1055 C ILE A 71 -9.609 14.670 -5.507 1.00 0.00 C ATOM 1056 O ILE A 71 -9.899 15.864 -5.547 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.704 12.584 -6.332 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.941 11.675 -7.539 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -12.027 13.080 -5.768 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.781 10.458 -7.224 1.00 0.00 C ATOM 0 H ILE A 71 -8.544 12.381 -7.650 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.301 14.345 -7.514 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.196 12.006 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.430 12.250 -8.326 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.978 11.350 -7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.649 12.227 -5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.840 13.690 -4.885 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.542 13.678 -6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.908 9.860 -8.126 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.284 9.861 -6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.758 10.775 -6.859 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.108 14.083 -4.425 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.866 14.828 -3.194 1.00 0.00 C ATOM 1074 C ASN A 72 -8.321 16.220 -3.499 1.00 0.00 C ATOM 1075 O ASN A 72 -8.720 17.203 -2.875 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.886 14.068 -2.298 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.588 13.123 -1.342 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -8.703 13.402 -0.149 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -9.062 11.998 -1.865 1.00 0.00 N ATOM 0 H ASN A 72 -8.862 13.094 -4.375 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.816 14.936 -2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.193 13.502 -2.921 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.291 14.782 -1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.545 11.323 -1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.943 11.809 -2.860 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.408 16.294 -4.461 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.810 17.565 -4.850 1.00 0.00 C ATOM 1088 C ILE A 73 -7.775 18.392 -5.691 1.00 0.00 C ATOM 1089 O ILE A 73 -7.843 19.615 -5.557 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.506 17.355 -5.642 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.459 16.661 -4.769 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -4.978 18.686 -6.155 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.418 15.901 -5.562 1.00 0.00 C ATOM 0 H ILE A 73 -7.066 15.489 -4.986 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.583 18.102 -3.929 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.718 16.716 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.960 17.408 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.962 15.972 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.056 18.521 -6.713 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.720 19.144 -6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.779 19.348 -5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.709 15.435 -4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.906 15.131 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.888 16.589 -6.221 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.523 17.719 -6.558 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.488 18.391 -7.421 1.00 0.00 C ATOM 1107 C LEU A 74 -10.510 19.166 -6.596 1.00 0.00 C ATOM 1108 O LEU A 74 -11.036 20.188 -7.039 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.202 17.373 -8.312 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.539 17.077 -9.658 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.039 16.899 -9.486 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.155 15.839 -10.294 1.00 0.00 C ATOM 0 H LEU A 74 -8.480 16.708 -6.682 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.945 19.097 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.292 16.437 -7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.214 17.731 -8.499 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.710 17.926 -10.321 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.584 16.689 -10.454 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.609 17.812 -9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.847 16.068 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.672 15.643 -11.251 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.015 14.983 -9.634 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.221 16.004 -10.453 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.785 18.676 -5.392 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.740 19.324 -4.501 1.00 0.00 C ATOM 1126 C LYS A 75 -11.140 20.582 -3.881 1.00 0.00 C ATOM 1127 O LYS A 75 -11.608 21.692 -4.132 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.177 18.357 -3.398 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.542 16.974 -3.910 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.301 15.907 -2.855 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.471 15.806 -1.889 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.122 15.016 -0.676 1.00 0.00 N ATOM 0 H LYS A 75 -10.359 17.831 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.611 19.611 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.373 18.264 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.035 18.780 -2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.590 16.961 -4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.954 16.747 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.143 14.943 -3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.390 16.139 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.785 16.807 -1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.319 15.342 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.946 14.970 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.847 14.053 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.329 15.472 -0.181 1.00 0.00 H new ATOM 1146 N ALA A 76 -10.102 20.399 -3.072 1.00 0.00 N ATOM 1147 CA ALA A 76 -9.436 21.520 -2.420 1.00 0.00 C ATOM 1148 C ALA A 76 -8.912 22.520 -3.445 1.00 0.00 C ATOM 1149 O ALA A 76 -9.302 23.687 -3.443 1.00 0.00 O ATOM 1150 CB ALA A 76 -8.300 21.020 -1.540 1.00 0.00 C ATOM 0 H ALA A 76 -9.704 19.486 -2.852 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.168 22.031 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.812 21.868 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.698 20.351 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.575 20.483 -2.152 1.00 0.00 H new ATOM 1156 N ASN A 77 -8.027 22.054 -4.320 1.00 0.00 N ATOM 1157 CA ASN A 77 -7.448 22.909 -5.351 1.00 0.00 C ATOM 1158 C ASN A 77 -8.531 23.450 -6.279 1.00 0.00 C ATOM 1159 O ASN A 77 -8.370 24.508 -6.887 1.00 0.00 O ATOM 1160 CB ASN A 77 -6.407 22.133 -6.160 1.00 0.00 C ATOM 1161 CG ASN A 77 -5.379 23.044 -6.804 1.00 0.00 C ATOM 1162 OD1 ASN A 77 -4.387 23.419 -6.178 1.00 0.00 O ATOM 1163 ND2 ASN A 77 -5.613 23.406 -8.060 1.00 0.00 N ATOM 0 H ASN A 77 -7.695 21.090 -4.336 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.962 23.752 -4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.900 21.422 -5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.910 21.553 -6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.957 24.019 -8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.448 23.071 -8.540 1.00 0.00 H new ATOM 1170 N ALA A 78 -9.634 22.716 -6.384 1.00 0.00 N ATOM 1171 CA ALA A 78 -10.745 23.123 -7.236 1.00 0.00 C ATOM 1172 C ALA A 78 -10.290 23.306 -8.680 1.00 0.00 C ATOM 1173 O ALA A 78 -10.619 24.303 -9.322 1.00 0.00 O ATOM 1174 CB ALA A 78 -11.370 24.407 -6.710 1.00 0.00 C ATOM 0 H ALA A 78 -9.782 21.836 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 78 -11.495 22.332 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.198 24.700 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.739 24.244 -5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.621 25.199 -6.700 1.00 0.00 H new ATOM 1180 N SER A 79 -9.532 22.338 -9.184 1.00 0.00 N ATOM 1181 CA SER A 79 -9.028 22.395 -10.551 1.00 0.00 C ATOM 1182 C SER A 79 -10.041 23.063 -11.476 1.00 0.00 C ATOM 1183 O SER A 79 -11.206 22.670 -11.527 1.00 0.00 O ATOM 1184 CB SER A 79 -8.709 20.987 -11.058 1.00 0.00 C ATOM 1185 OG SER A 79 -9.856 20.156 -11.012 1.00 0.00 O ATOM 0 H SER A 79 -9.253 21.505 -8.666 1.00 0.00 H new ATOM 0 HA SER A 79 -8.114 22.990 -10.551 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.336 21.041 -12.081 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.915 20.550 -10.452 1.00 0.00 H new ATOM 0 HG SER A 79 -10.659 20.698 -11.161 1.00 0.00 H new ATOM 1191 N GLY A 80 -9.588 24.078 -12.205 1.00 0.00 N ATOM 1192 CA GLY A 80 -10.466 24.786 -13.118 1.00 0.00 C ATOM 1193 C GLY A 80 -10.303 26.290 -13.030 1.00 0.00 C ATOM 1194 O GLY A 80 -9.763 26.822 -12.059 1.00 0.00 O ATOM 0 H GLY A 80 -8.628 24.423 -12.180 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.263 24.461 -14.138 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.501 24.522 -12.900 1.00 0.00 H new ATOM 1198 N PRO A 81 -10.775 27.002 -14.064 1.00 0.00 N ATOM 1199 CA PRO A 81 -10.689 28.464 -14.123 1.00 0.00 C ATOM 1200 C PRO A 81 -11.608 29.141 -13.112 1.00 0.00 C ATOM 1201 O PRO A 81 -12.770 28.761 -12.963 1.00 0.00 O ATOM 1202 CB PRO A 81 -11.136 28.788 -15.551 1.00 0.00 C ATOM 1203 CG PRO A 81 -12.000 27.641 -15.947 1.00 0.00 C ATOM 1204 CD PRO A 81 -11.429 26.435 -15.255 1.00 0.00 C ATOM 0 HA PRO A 81 -9.688 28.823 -13.882 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.685 29.729 -15.590 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.281 28.889 -16.220 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.034 27.810 -15.647 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.999 27.507 -17.029 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.207 25.721 -14.984 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.718 25.906 -15.890 1.00 0.00 H new ATOM 1212 N SER A 82 -11.080 30.144 -12.418 1.00 0.00 N ATOM 1213 CA SER A 82 -11.853 30.871 -11.417 1.00 0.00 C ATOM 1214 C SER A 82 -13.091 31.507 -12.043 1.00 0.00 C ATOM 1215 O SER A 82 -14.221 31.159 -11.702 1.00 0.00 O ATOM 1216 CB SER A 82 -10.989 31.949 -10.760 1.00 0.00 C ATOM 1217 OG SER A 82 -11.742 32.710 -9.832 1.00 0.00 O ATOM 0 H SER A 82 -10.121 30.472 -12.530 1.00 0.00 H new ATOM 0 HA SER A 82 -12.176 30.160 -10.656 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.144 31.483 -10.253 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.578 32.607 -11.526 1.00 0.00 H new ATOM 0 HG SER A 82 -11.167 33.391 -9.424 1.00 0.00 H new ATOM 1223 N SER A 83 -12.868 32.441 -12.962 1.00 0.00 N ATOM 1224 CA SER A 83 -13.964 33.130 -13.633 1.00 0.00 C ATOM 1225 C SER A 83 -14.953 32.129 -14.224 1.00 0.00 C ATOM 1226 O SER A 83 -14.568 31.050 -14.673 1.00 0.00 O ATOM 1227 CB SER A 83 -13.423 34.041 -14.737 1.00 0.00 C ATOM 1228 OG SER A 83 -12.809 33.285 -15.767 1.00 0.00 O ATOM 0 H SER A 83 -11.938 32.738 -13.259 1.00 0.00 H new ATOM 0 HA SER A 83 -14.485 33.738 -12.893 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.236 34.635 -15.153 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.701 34.740 -14.315 1.00 0.00 H new ATOM 0 HG SER A 83 -12.473 33.890 -16.461 1.00 0.00 H new ATOM 1234 N GLY A 84 -16.231 32.496 -14.219 1.00 0.00 N ATOM 1235 CA GLY A 84 -17.256 31.621 -14.756 1.00 0.00 C ATOM 1236 C GLY A 84 -17.878 30.736 -13.694 1.00 0.00 C ATOM 1237 O GLY A 84 -18.918 30.118 -13.922 1.00 0.00 O ATOM 0 H GLY A 84 -16.574 33.384 -13.853 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -18.035 32.223 -15.224 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.823 30.996 -15.537 1.00 0.00 H new TER 1241 GLY A 84