USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 633 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 10 TYR OH : rot 14:sc= -4.81! USER MOD Set 1.2: A 39 HIS :FLIP no HD1:sc= -3.46 F(o=-17!,f=-15) USER MOD Set 1.3: A 43 MET CE :methyl -123:sc= -6.56! (180deg=-0.622) USER MOD Set 2.1: A 8 SER OG : rot -34:sc= 0.0292 USER MOD Set 2.2: A 81 SER OG : rot 160:sc= -0.216 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0903 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 73:sc= 1.13 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot -159:sc= -4.35! USER MOD Single : A 24 ASN :FLIP amide:sc= -1.11 F(o=-2.9!,f=-1.1) USER MOD Single : A 27 THR OG1 : rot 131:sc= 0.763 USER MOD Single : A 28 SER OG : rot -36:sc= 1.12 USER MOD Single : A 29 SER OG : rot 82:sc= 0.993 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 79:sc= 0.931 USER MOD Single : A 44 THR OG1 : rot 38:sc= -1.9! USER MOD Single : A 46 HIS : no HD1:sc= -12.7! C(o=-13!,f=-13!) USER MOD Single : A 48 SER OG : rot 170:sc= -2.79! USER MOD Single : A 50 SER OG : rot 180:sc= 0.0792 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= 0.0389 (180deg=0.000266) USER MOD Single : A 63 SER OG : rot 180:sc= 0.112 USER MOD Single : A 65 SER OG : rot 180:sc= -0.856 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 145:sc=-0.00203 (180deg=-0.164) USER MOD Single : A 73 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.0048) USER MOD Single : A 78 ASN : amide:sc= 0.403 X(o=0.4,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.198) USER MOD Single : A 84 LYS NZ :NH3+ 163:sc=-0.00379 (180deg=-0.0758) USER MOD Single : A 85 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.834 -7.632 -6.397 1.00 0.00 N ATOM 2 CA MET A 1 13.653 -7.729 -7.233 1.00 0.00 C ATOM 3 C MET A 1 13.537 -6.493 -8.112 1.00 0.00 C ATOM 4 O MET A 1 14.207 -5.491 -7.871 1.00 0.00 O ATOM 5 CB MET A 1 12.418 -7.881 -6.349 1.00 0.00 C ATOM 6 CG MET A 1 11.353 -8.676 -7.098 1.00 0.00 C ATOM 7 SD MET A 1 10.578 -9.980 -6.109 1.00 0.00 S ATOM 8 CE MET A 1 10.553 -11.303 -7.344 1.00 0.00 C ATOM 0 H1 MET A 1 15.429 -8.473 -6.538 1.00 0.00 H new ATOM 0 H2 MET A 1 15.372 -6.780 -6.654 1.00 0.00 H new ATOM 0 H3 MET A 1 14.549 -7.574 -5.399 1.00 0.00 H new ATOM 0 HA MET A 1 13.733 -8.602 -7.880 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.682 -8.389 -5.421 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.030 -6.900 -6.076 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.580 -7.991 -7.447 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.804 -9.125 -7.983 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.105 -12.197 -6.910 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.967 -10.985 -8.206 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.572 -11.525 -7.660 1.00 0.00 H new ATOM 18 N GLU A 2 12.719 -6.517 -9.119 1.00 1.00 N ATOM 19 CA GLU A 2 12.572 -5.329 -10.005 1.00 1.00 C ATOM 20 C GLU A 2 11.090 -4.964 -10.123 1.00 1.00 C ATOM 21 O GLU A 2 10.451 -5.235 -11.119 1.00 1.00 O ATOM 22 CB GLU A 2 13.128 -5.655 -11.393 1.00 1.00 C ATOM 23 CG GLU A 2 14.651 -5.520 -11.379 1.00 1.00 C ATOM 24 CD GLU A 2 15.140 -5.090 -12.764 1.00 1.00 C ATOM 25 OE1 GLU A 2 15.399 -5.963 -13.575 1.00 1.00 O ATOM 26 OE2 GLU A 2 15.244 -3.895 -12.989 1.00 1.00 O ATOM 0 H GLU A 2 12.138 -7.316 -9.372 1.00 1.00 H new ATOM 0 HA GLU A 2 13.123 -4.489 -9.582 1.00 1.00 H new ATOM 0 HB2 GLU A 2 12.845 -6.668 -11.681 1.00 1.00 H new ATOM 0 HB3 GLU A 2 12.700 -4.981 -12.135 1.00 1.00 H new ATOM 0 HG2 GLU A 2 14.955 -4.787 -10.631 1.00 1.00 H new ATOM 0 HG3 GLU A 2 15.108 -6.469 -11.099 1.00 1.00 H new ATOM 33 N LEU A 3 10.539 -4.355 -9.109 1.00 1.00 N ATOM 34 CA LEU A 3 9.128 -3.972 -9.133 1.00 1.00 C ATOM 35 C LEU A 3 8.954 -2.719 -9.992 1.00 1.00 C ATOM 36 O LEU A 3 9.775 -2.414 -10.835 1.00 1.00 O ATOM 37 CB LEU A 3 8.757 -3.687 -7.693 1.00 1.00 C ATOM 38 CG LEU A 3 7.973 -4.859 -7.118 1.00 1.00 C ATOM 39 CD1 LEU A 3 8.381 -5.084 -5.661 1.00 1.00 C ATOM 40 CD2 LEU A 3 6.485 -4.551 -7.186 1.00 1.00 C ATOM 0 H LEU A 3 11.033 -4.108 -8.251 1.00 1.00 H new ATOM 0 HA LEU A 3 8.495 -4.751 -9.557 1.00 1.00 H new ATOM 0 HB2 LEU A 3 9.658 -3.516 -7.103 1.00 1.00 H new ATOM 0 HB3 LEU A 3 8.161 -2.776 -7.635 1.00 1.00 H new ATOM 0 HG LEU A 3 8.187 -5.758 -7.696 1.00 1.00 H new ATOM 0 HD11 LEU A 3 7.819 -5.923 -5.251 1.00 1.00 H new ATOM 0 HD12 LEU A 3 9.448 -5.303 -5.612 1.00 1.00 H new ATOM 0 HD13 LEU A 3 8.168 -4.186 -5.081 1.00 1.00 H new ATOM 0 HD21 LEU A 3 5.921 -5.388 -6.775 1.00 1.00 H new ATOM 0 HD22 LEU A 3 6.273 -3.652 -6.608 1.00 1.00 H new ATOM 0 HD23 LEU A 3 6.193 -4.392 -8.224 1.00 1.00 H new ATOM 52 N LYS A 4 7.897 -1.992 -9.783 1.00 1.00 N ATOM 53 CA LYS A 4 7.672 -0.760 -10.586 1.00 1.00 C ATOM 54 C LYS A 4 8.304 0.438 -9.882 1.00 1.00 C ATOM 55 O LYS A 4 9.227 0.293 -9.106 1.00 1.00 O ATOM 56 CB LYS A 4 6.192 -0.563 -10.820 1.00 1.00 C ATOM 57 CG LYS A 4 5.716 -1.798 -11.571 1.00 1.00 C ATOM 58 CD LYS A 4 4.782 -1.422 -12.720 1.00 1.00 C ATOM 59 CE LYS A 4 4.829 -2.515 -13.790 1.00 1.00 C ATOM 60 NZ LYS A 4 3.535 -3.253 -13.806 1.00 1.00 N ATOM 0 H LYS A 4 7.177 -2.197 -9.090 1.00 1.00 H new ATOM 0 HA LYS A 4 8.149 -0.860 -11.561 1.00 1.00 H new ATOM 0 HB2 LYS A 4 5.659 -0.452 -9.875 1.00 1.00 H new ATOM 0 HB3 LYS A 4 6.006 0.341 -11.399 1.00 1.00 H new ATOM 0 HG2 LYS A 4 6.576 -2.343 -11.961 1.00 1.00 H new ATOM 0 HG3 LYS A 4 5.199 -2.468 -10.884 1.00 1.00 H new ATOM 0 HD2 LYS A 4 3.763 -1.302 -12.351 1.00 1.00 H new ATOM 0 HD3 LYS A 4 5.081 -0.465 -13.148 1.00 1.00 H new ATOM 0 HE2 LYS A 4 5.019 -2.073 -14.768 1.00 1.00 H new ATOM 0 HE3 LYS A 4 5.649 -3.203 -13.586 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 3.568 -3.996 -14.533 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 3.371 -3.687 -12.875 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 2.761 -2.592 -14.021 1.00 1.00 H new ATOM 74 N HIS A 5 7.850 1.620 -10.164 1.00 1.00 N ATOM 75 CA HIS A 5 8.469 2.820 -9.525 1.00 1.00 C ATOM 76 C HIS A 5 7.567 3.394 -8.428 1.00 1.00 C ATOM 77 O HIS A 5 7.982 3.566 -7.299 1.00 1.00 O ATOM 78 CB HIS A 5 8.701 3.886 -10.594 1.00 1.00 C ATOM 79 CG HIS A 5 9.522 5.009 -10.019 1.00 1.00 C ATOM 80 ND1 HIS A 5 8.981 6.254 -9.741 1.00 1.00 N ATOM 81 CD2 HIS A 5 10.847 5.087 -9.665 1.00 1.00 C ATOM 82 CE1 HIS A 5 9.968 7.022 -9.242 1.00 1.00 C ATOM 83 NE2 HIS A 5 11.125 6.360 -9.175 1.00 1.00 N ATOM 0 H HIS A 5 7.081 1.814 -10.805 1.00 1.00 H new ATOM 0 HA HIS A 5 9.413 2.521 -9.069 1.00 1.00 H new ATOM 0 HB2 HIS A 5 9.213 3.450 -11.451 1.00 1.00 H new ATOM 0 HB3 HIS A 5 7.746 4.268 -10.954 1.00 1.00 H new ATOM 0 HD2 HIS A 5 11.563 4.284 -9.753 1.00 1.00 H new ATOM 0 HE1 HIS A 5 9.839 8.049 -8.933 1.00 1.00 H new ATOM 0 HE2 HIS A 5 12.021 6.712 -8.837 1.00 1.00 H new ATOM 91 N SER A 6 6.349 3.714 -8.757 1.00 1.00 N ATOM 92 CA SER A 6 5.432 4.305 -7.740 1.00 1.00 C ATOM 93 C SER A 6 4.015 3.723 -7.860 1.00 1.00 C ATOM 94 O SER A 6 3.801 2.702 -8.480 1.00 1.00 O ATOM 95 CB SER A 6 5.384 5.806 -7.934 1.00 1.00 C ATOM 96 OG SER A 6 6.290 6.430 -7.032 1.00 1.00 O ATOM 0 H SER A 6 5.946 3.593 -9.686 1.00 1.00 H new ATOM 0 HA SER A 6 5.811 4.063 -6.747 1.00 1.00 H new ATOM 0 HB2 SER A 6 5.645 6.059 -8.962 1.00 1.00 H new ATOM 0 HB3 SER A 6 4.372 6.173 -7.762 1.00 1.00 H new ATOM 0 HG SER A 6 6.261 7.401 -7.158 1.00 1.00 H new ATOM 102 N ILE A 7 3.042 4.357 -7.255 1.00 1.00 N ATOM 103 CA ILE A 7 1.648 3.831 -7.324 1.00 1.00 C ATOM 104 C ILE A 7 1.099 4.001 -8.747 1.00 1.00 C ATOM 105 O ILE A 7 0.138 3.365 -9.134 1.00 1.00 O ATOM 106 CB ILE A 7 0.768 4.580 -6.301 1.00 1.00 C ATOM 107 CG1 ILE A 7 -0.191 3.586 -5.651 1.00 1.00 C ATOM 108 CG2 ILE A 7 -0.046 5.703 -6.964 1.00 1.00 C ATOM 109 CD1 ILE A 7 -0.288 3.886 -4.158 1.00 1.00 C ATOM 0 H ILE A 7 3.155 5.216 -6.717 1.00 1.00 H new ATOM 0 HA ILE A 7 1.641 2.769 -7.080 1.00 1.00 H new ATOM 0 HB ILE A 7 1.423 5.032 -5.556 1.00 1.00 H new ATOM 0 HG12 ILE A 7 -1.176 3.657 -6.113 1.00 1.00 H new ATOM 0 HG13 ILE A 7 0.162 2.567 -5.807 1.00 1.00 H new ATOM 0 HG21 ILE A 7 -0.652 6.206 -6.211 1.00 1.00 H new ATOM 0 HG22 ILE A 7 0.633 6.422 -7.423 1.00 1.00 H new ATOM 0 HG23 ILE A 7 -0.696 5.278 -7.729 1.00 1.00 H new ATOM 0 HD11 ILE A 7 -0.972 3.179 -3.688 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.698 3.793 -3.703 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.660 4.900 -4.014 1.00 1.00 H new ATOM 121 N SER A 8 1.703 4.858 -9.524 1.00 1.00 N ATOM 122 CA SER A 8 1.219 5.077 -10.919 1.00 1.00 C ATOM 123 C SER A 8 1.449 3.810 -11.748 1.00 1.00 C ATOM 124 O SER A 8 0.913 3.652 -12.827 1.00 1.00 O ATOM 125 CB SER A 8 1.985 6.243 -11.544 1.00 1.00 C ATOM 126 OG SER A 8 1.369 6.607 -12.773 1.00 1.00 O ATOM 0 H SER A 8 2.512 5.417 -9.254 1.00 1.00 H new ATOM 0 HA SER A 8 0.154 5.308 -10.902 1.00 1.00 H new ATOM 0 HB2 SER A 8 1.994 7.094 -10.863 1.00 1.00 H new ATOM 0 HB3 SER A 8 3.024 5.961 -11.715 1.00 1.00 H new ATOM 0 HG SER A 8 1.002 5.807 -13.204 1.00 1.00 H new ATOM 132 N ASP A 9 2.241 2.902 -11.244 1.00 1.00 N ATOM 133 CA ASP A 9 2.507 1.638 -11.984 1.00 1.00 C ATOM 134 C ASP A 9 1.506 0.581 -11.523 1.00 1.00 C ATOM 135 O ASP A 9 1.293 -0.418 -12.181 1.00 1.00 O ATOM 136 CB ASP A 9 3.943 1.168 -11.737 1.00 1.00 C ATOM 137 CG ASP A 9 4.679 2.122 -10.807 1.00 1.00 C ATOM 138 OD1 ASP A 9 4.619 3.316 -11.058 1.00 1.00 O ATOM 139 OD2 ASP A 9 5.290 1.647 -9.866 1.00 1.00 O ATOM 0 H ASP A 9 2.717 2.984 -10.346 1.00 1.00 H new ATOM 0 HA ASP A 9 2.391 1.805 -13.055 1.00 1.00 H new ATOM 0 HB2 ASP A 9 3.932 0.168 -11.303 1.00 1.00 H new ATOM 0 HB3 ASP A 9 4.474 1.098 -12.686 1.00 1.00 H new ATOM 144 N TYR A 10 0.868 0.816 -10.411 1.00 1.00 N ATOM 145 CA TYR A 10 -0.151 -0.149 -9.912 1.00 1.00 C ATOM 146 C TYR A 10 -1.518 0.528 -9.959 1.00 1.00 C ATOM 147 O TYR A 10 -1.670 1.654 -9.530 1.00 1.00 O ATOM 148 CB TYR A 10 0.153 -0.537 -8.464 1.00 1.00 C ATOM 149 CG TYR A 10 1.572 -1.024 -8.355 1.00 1.00 C ATOM 150 CD1 TYR A 10 2.627 -0.112 -8.430 1.00 1.00 C ATOM 151 CD2 TYR A 10 1.831 -2.387 -8.170 1.00 1.00 C ATOM 152 CE1 TYR A 10 3.946 -0.560 -8.319 1.00 1.00 C ATOM 153 CE2 TYR A 10 3.150 -2.836 -8.061 1.00 1.00 C ATOM 154 CZ TYR A 10 4.207 -1.921 -8.135 1.00 1.00 C ATOM 155 OH TYR A 10 5.506 -2.359 -8.023 1.00 1.00 O ATOM 0 H TYR A 10 1.009 1.638 -9.824 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.137 -1.045 -10.533 1.00 1.00 H new ATOM 0 HB2 TYR A 10 0.002 0.321 -7.808 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.535 -1.316 -8.134 1.00 1.00 H new ATOM 0 HD1 TYR A 10 2.424 0.939 -8.574 1.00 1.00 H new ATOM 0 HD2 TYR A 10 1.013 -3.090 -8.112 1.00 1.00 H new ATOM 0 HE1 TYR A 10 4.763 0.144 -8.375 1.00 1.00 H new ATOM 0 HE2 TYR A 10 3.354 -3.887 -7.920 1.00 1.00 H new ATOM 0 HH TYR A 10 6.098 -1.593 -7.870 1.00 1.00 H new ATOM 165 N THR A 11 -2.519 -0.141 -10.456 1.00 1.00 N ATOM 166 CA THR A 11 -3.863 0.491 -10.507 1.00 1.00 C ATOM 167 C THR A 11 -4.427 0.532 -9.086 1.00 1.00 C ATOM 168 O THR A 11 -3.801 0.075 -8.154 1.00 1.00 O ATOM 169 CB THR A 11 -4.794 -0.334 -11.399 1.00 1.00 C ATOM 170 OG1 THR A 11 -4.640 -1.712 -11.098 1.00 1.00 O ATOM 171 CG2 THR A 11 -4.448 -0.093 -12.868 1.00 1.00 C ATOM 0 H THR A 11 -2.465 -1.090 -10.826 1.00 1.00 H new ATOM 0 HA THR A 11 -3.785 1.498 -10.916 1.00 1.00 H new ATOM 0 HB THR A 11 -5.826 -0.034 -11.217 1.00 1.00 H new ATOM 0 HG1 THR A 11 -5.237 -2.240 -11.668 1.00 1.00 H new ATOM 0 HG21 THR A 11 -5.113 -0.682 -13.500 1.00 1.00 H new ATOM 0 HG22 THR A 11 -4.569 0.965 -13.101 1.00 1.00 H new ATOM 0 HG23 THR A 11 -3.415 -0.390 -13.052 1.00 1.00 H new ATOM 179 N GLU A 12 -5.597 1.070 -8.904 1.00 1.00 N ATOM 180 CA GLU A 12 -6.174 1.118 -7.532 1.00 1.00 C ATOM 181 C GLU A 12 -6.485 -0.308 -7.073 1.00 1.00 C ATOM 182 O GLU A 12 -6.672 -0.572 -5.902 1.00 1.00 O ATOM 183 CB GLU A 12 -7.458 1.941 -7.550 1.00 1.00 C ATOM 184 CG GLU A 12 -8.351 1.390 -8.645 1.00 1.00 C ATOM 185 CD GLU A 12 -9.592 0.745 -8.024 1.00 1.00 C ATOM 186 OE1 GLU A 12 -10.353 1.460 -7.392 1.00 1.00 O ATOM 187 OE2 GLU A 12 -9.758 -0.451 -8.188 1.00 1.00 O ATOM 0 H GLU A 12 -6.177 1.476 -9.638 1.00 1.00 H new ATOM 0 HA GLU A 12 -5.462 1.578 -6.847 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -7.960 1.885 -6.584 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -7.235 2.992 -7.733 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -8.646 2.190 -9.324 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -7.805 0.655 -9.237 1.00 1.00 H new ATOM 194 N ALA A 13 -6.538 -1.229 -7.997 1.00 1.00 N ATOM 195 CA ALA A 13 -6.841 -2.641 -7.632 1.00 1.00 C ATOM 196 C ALA A 13 -5.541 -3.440 -7.558 1.00 1.00 C ATOM 197 O ALA A 13 -5.330 -4.205 -6.643 1.00 1.00 O ATOM 198 CB ALA A 13 -7.755 -3.247 -8.697 1.00 1.00 C ATOM 0 H ALA A 13 -6.384 -1.063 -8.992 1.00 1.00 H new ATOM 0 HA ALA A 13 -7.337 -2.672 -6.662 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -7.981 -4.281 -8.437 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -8.681 -2.675 -8.750 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -7.255 -3.218 -9.665 1.00 1.00 H new ATOM 204 N GLU A 14 -4.663 -3.266 -8.508 1.00 1.00 N ATOM 205 CA GLU A 14 -3.385 -4.000 -8.479 1.00 1.00 C ATOM 206 C GLU A 14 -2.628 -3.598 -7.215 1.00 1.00 C ATOM 207 O GLU A 14 -1.962 -4.400 -6.587 1.00 1.00 O ATOM 208 CB GLU A 14 -2.591 -3.610 -9.717 1.00 1.00 C ATOM 209 CG GLU A 14 -2.539 -4.795 -10.676 1.00 1.00 C ATOM 210 CD GLU A 14 -1.083 -5.163 -10.964 1.00 1.00 C ATOM 211 OE1 GLU A 14 -0.237 -4.294 -10.837 1.00 1.00 O ATOM 212 OE2 GLU A 14 -0.840 -6.309 -11.307 1.00 1.00 O ATOM 0 H GLU A 14 -4.785 -2.641 -9.305 1.00 1.00 H new ATOM 0 HA GLU A 14 -3.545 -5.078 -8.473 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -3.054 -2.752 -10.205 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -1.581 -3.310 -9.436 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -3.061 -5.648 -10.243 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -3.052 -4.546 -11.605 1.00 1.00 H new ATOM 219 N PHE A 15 -2.752 -2.359 -6.824 1.00 1.00 N ATOM 220 CA PHE A 15 -2.067 -1.899 -5.587 1.00 1.00 C ATOM 221 C PHE A 15 -2.858 -2.417 -4.390 1.00 1.00 C ATOM 222 O PHE A 15 -2.308 -2.982 -3.466 1.00 1.00 O ATOM 223 CB PHE A 15 -2.018 -0.373 -5.555 1.00 1.00 C ATOM 224 CG PHE A 15 -1.019 0.070 -4.513 1.00 1.00 C ATOM 225 CD1 PHE A 15 0.303 -0.382 -4.580 1.00 1.00 C ATOM 226 CD2 PHE A 15 -1.415 0.927 -3.479 1.00 1.00 C ATOM 227 CE1 PHE A 15 1.231 0.023 -3.615 1.00 1.00 C ATOM 228 CE2 PHE A 15 -0.484 1.332 -2.513 1.00 1.00 C ATOM 229 CZ PHE A 15 0.838 0.881 -2.582 1.00 1.00 C ATOM 0 H PHE A 15 -3.298 -1.647 -7.309 1.00 1.00 H new ATOM 0 HA PHE A 15 -1.045 -2.277 -5.559 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -1.736 0.014 -6.534 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -3.004 0.030 -5.325 1.00 1.00 H new ATOM 0 HD1 PHE A 15 0.607 -1.044 -5.377 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -2.436 1.275 -3.426 1.00 1.00 H new ATOM 0 HE1 PHE A 15 2.251 -0.327 -3.667 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -0.788 1.993 -1.715 1.00 1.00 H new ATOM 0 HZ PHE A 15 1.555 1.195 -1.838 1.00 1.00 H new ATOM 239 N LEU A 16 -4.153 -2.252 -4.414 1.00 1.00 N ATOM 240 CA LEU A 16 -4.984 -2.762 -3.293 1.00 1.00 C ATOM 241 C LEU A 16 -4.660 -4.242 -3.106 1.00 1.00 C ATOM 242 O LEU A 16 -4.778 -4.790 -2.030 1.00 1.00 O ATOM 243 CB LEU A 16 -6.463 -2.585 -3.654 1.00 1.00 C ATOM 244 CG LEU A 16 -7.350 -2.758 -2.426 1.00 1.00 C ATOM 245 CD1 LEU A 16 -8.798 -2.440 -2.796 1.00 1.00 C ATOM 246 CD2 LEU A 16 -7.263 -4.197 -1.913 1.00 1.00 C ATOM 0 H LEU A 16 -4.668 -1.787 -5.161 1.00 1.00 H new ATOM 0 HA LEU A 16 -4.778 -2.219 -2.371 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -6.620 -1.596 -4.084 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -6.745 -3.312 -4.416 1.00 1.00 H new ATOM 0 HG LEU A 16 -7.011 -2.079 -1.644 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -9.433 -2.563 -1.919 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -8.865 -1.412 -3.151 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -9.130 -3.118 -3.582 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -7.900 -4.310 -1.036 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -7.595 -4.882 -2.693 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -6.232 -4.426 -1.644 1.00 1.00 H new ATOM 258 N GLN A 17 -4.222 -4.884 -4.154 1.00 1.00 N ATOM 259 CA GLN A 17 -3.857 -6.320 -4.049 1.00 1.00 C ATOM 260 C GLN A 17 -2.609 -6.427 -3.182 1.00 1.00 C ATOM 261 O GLN A 17 -2.516 -7.262 -2.310 1.00 1.00 O ATOM 262 CB GLN A 17 -3.570 -6.882 -5.443 1.00 1.00 C ATOM 263 CG GLN A 17 -4.312 -8.207 -5.623 1.00 1.00 C ATOM 264 CD GLN A 17 -3.322 -9.291 -6.057 1.00 1.00 C ATOM 265 OE1 GLN A 17 -2.717 -9.942 -5.229 1.00 1.00 O ATOM 266 NE2 GLN A 17 -3.128 -9.509 -7.328 1.00 1.00 N ATOM 0 H GLN A 17 -4.102 -4.473 -5.080 1.00 1.00 H new ATOM 0 HA GLN A 17 -4.675 -6.889 -3.606 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -3.886 -6.170 -6.206 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -2.498 -7.033 -5.572 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -4.797 -8.494 -4.690 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -5.098 -8.097 -6.370 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -3.636 -8.962 -8.023 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -2.468 -10.227 -7.627 1.00 1.00 H new ATOM 275 N LEU A 18 -1.651 -5.571 -3.412 1.00 1.00 N ATOM 276 CA LEU A 18 -0.408 -5.606 -2.593 1.00 1.00 C ATOM 277 C LEU A 18 -0.779 -5.481 -1.114 1.00 1.00 C ATOM 278 O LEU A 18 -0.534 -6.375 -0.330 1.00 1.00 O ATOM 279 CB LEU A 18 0.495 -4.435 -2.996 1.00 1.00 C ATOM 280 CG LEU A 18 1.724 -4.382 -2.083 1.00 1.00 C ATOM 281 CD1 LEU A 18 2.978 -4.690 -2.903 1.00 1.00 C ATOM 282 CD2 LEU A 18 1.844 -2.982 -1.475 1.00 1.00 C ATOM 0 H LEU A 18 -1.676 -4.849 -4.132 1.00 1.00 H new ATOM 0 HA LEU A 18 0.119 -6.545 -2.759 1.00 1.00 H new ATOM 0 HB2 LEU A 18 0.808 -4.547 -4.034 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -0.059 -3.498 -2.929 1.00 1.00 H new ATOM 0 HG LEU A 18 1.620 -5.118 -1.286 1.00 1.00 H new ATOM 0 HD11 LEU A 18 3.854 -4.653 -2.256 1.00 1.00 H new ATOM 0 HD12 LEU A 18 2.892 -5.685 -3.340 1.00 1.00 H new ATOM 0 HD13 LEU A 18 3.083 -3.952 -3.698 1.00 1.00 H new ATOM 0 HD21 LEU A 18 2.718 -2.941 -0.825 1.00 1.00 H new ATOM 0 HD22 LEU A 18 1.951 -2.247 -2.273 1.00 1.00 H new ATOM 0 HD23 LEU A 18 0.949 -2.760 -0.894 1.00 1.00 H new ATOM 294 N VAL A 19 -1.375 -4.384 -0.729 1.00 1.00 N ATOM 295 CA VAL A 19 -1.764 -4.204 0.700 1.00 1.00 C ATOM 296 C VAL A 19 -2.495 -5.447 1.198 1.00 1.00 C ATOM 297 O VAL A 19 -2.500 -5.743 2.375 1.00 1.00 O ATOM 298 CB VAL A 19 -2.674 -2.988 0.825 1.00 1.00 C ATOM 299 CG1 VAL A 19 -3.293 -2.948 2.223 1.00 1.00 C ATOM 300 CG2 VAL A 19 -1.860 -1.714 0.591 1.00 1.00 C ATOM 0 H VAL A 19 -1.609 -3.604 -1.343 1.00 1.00 H new ATOM 0 HA VAL A 19 -0.869 -4.053 1.303 1.00 1.00 H new ATOM 0 HB VAL A 19 -3.468 -3.055 0.081 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -3.943 -2.077 2.308 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -3.876 -3.854 2.389 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.501 -2.885 2.970 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -2.511 -0.845 0.680 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -1.064 -1.649 1.333 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -1.424 -1.739 -0.408 1.00 1.00 H new ATOM 310 N THR A 20 -3.107 -6.187 0.318 1.00 1.00 N ATOM 311 CA THR A 20 -3.821 -7.414 0.763 1.00 1.00 C ATOM 312 C THR A 20 -2.790 -8.487 1.108 1.00 1.00 C ATOM 313 O THR A 20 -2.790 -9.037 2.190 1.00 1.00 O ATOM 314 CB THR A 20 -4.732 -7.919 -0.358 1.00 1.00 C ATOM 315 OG1 THR A 20 -5.750 -6.958 -0.607 1.00 1.00 O ATOM 316 CG2 THR A 20 -5.369 -9.243 0.064 1.00 1.00 C ATOM 0 H THR A 20 -3.144 -5.997 -0.684 1.00 1.00 H new ATOM 0 HA THR A 20 -4.429 -7.188 1.639 1.00 1.00 H new ATOM 0 HB THR A 20 -4.147 -8.071 -1.265 1.00 1.00 H new ATOM 0 HG1 THR A 20 -5.364 -6.184 -1.067 1.00 1.00 H new ATOM 0 HG21 THR A 20 -6.019 -9.605 -0.733 1.00 1.00 H new ATOM 0 HG22 THR A 20 -4.587 -9.978 0.257 1.00 1.00 H new ATOM 0 HG23 THR A 20 -5.956 -9.092 0.970 1.00 1.00 H new ATOM 324 N THR A 21 -1.902 -8.783 0.199 1.00 1.00 N ATOM 325 CA THR A 21 -0.865 -9.813 0.473 1.00 1.00 C ATOM 326 C THR A 21 -0.128 -9.456 1.763 1.00 1.00 C ATOM 327 O THR A 21 0.437 -10.306 2.420 1.00 1.00 O ATOM 328 CB THR A 21 0.129 -9.857 -0.691 1.00 1.00 C ATOM 329 OG1 THR A 21 -0.583 -10.009 -1.912 1.00 1.00 O ATOM 330 CG2 THR A 21 1.085 -11.038 -0.503 1.00 1.00 C ATOM 0 H THR A 21 -1.851 -8.353 -0.725 1.00 1.00 H new ATOM 0 HA THR A 21 -1.337 -10.789 0.582 1.00 1.00 H new ATOM 0 HB THR A 21 0.702 -8.930 -0.717 1.00 1.00 H new ATOM 0 HG1 THR A 21 0.051 -10.036 -2.659 1.00 1.00 H new ATOM 0 HG21 THR A 21 1.792 -11.069 -1.332 1.00 1.00 H new ATOM 0 HG22 THR A 21 1.629 -10.920 0.434 1.00 1.00 H new ATOM 0 HG23 THR A 21 0.515 -11.967 -0.477 1.00 1.00 H new ATOM 338 N ILE A 22 -0.128 -8.201 2.131 1.00 1.00 N ATOM 339 CA ILE A 22 0.571 -7.792 3.380 1.00 1.00 C ATOM 340 C ILE A 22 -0.349 -8.035 4.580 1.00 1.00 C ATOM 341 O ILE A 22 -0.112 -8.906 5.386 1.00 1.00 O ATOM 342 CB ILE A 22 0.952 -6.308 3.300 1.00 1.00 C ATOM 343 CG1 ILE A 22 1.386 -5.977 1.861 1.00 1.00 C ATOM 344 CG2 ILE A 22 2.103 -6.030 4.279 1.00 1.00 C ATOM 345 CD1 ILE A 22 2.400 -4.827 1.852 1.00 1.00 C ATOM 0 H ILE A 22 -0.582 -7.444 1.620 1.00 1.00 H new ATOM 0 HA ILE A 22 1.480 -8.382 3.499 1.00 1.00 H new ATOM 0 HB ILE A 22 0.099 -5.685 3.568 1.00 1.00 H new ATOM 0 HG12 ILE A 22 1.825 -6.860 1.396 1.00 1.00 H new ATOM 0 HG13 ILE A 22 0.514 -5.704 1.266 1.00 1.00 H new ATOM 0 HG21 ILE A 22 2.379 -4.977 4.227 1.00 1.00 H new ATOM 0 HG22 ILE A 22 1.785 -6.272 5.293 1.00 1.00 H new ATOM 0 HG23 ILE A 22 2.964 -6.644 4.013 1.00 1.00 H new ATOM 0 HD11 ILE A 22 2.694 -4.609 0.825 1.00 1.00 H new ATOM 0 HD12 ILE A 22 1.948 -3.940 2.296 1.00 1.00 H new ATOM 0 HD13 ILE A 22 3.280 -5.113 2.428 1.00 1.00 H new ATOM 357 N CYS A 23 -1.395 -7.272 4.706 1.00 1.00 N ATOM 358 CA CYS A 23 -2.322 -7.464 5.859 1.00 1.00 C ATOM 359 C CYS A 23 -2.760 -8.929 5.955 1.00 1.00 C ATOM 360 O CYS A 23 -2.558 -9.585 6.956 1.00 1.00 O ATOM 361 CB CYS A 23 -3.555 -6.577 5.670 1.00 1.00 C ATOM 362 SG CYS A 23 -3.703 -5.444 7.073 1.00 1.00 S ATOM 0 H CYS A 23 -1.651 -6.523 4.062 1.00 1.00 H new ATOM 0 HA CYS A 23 -1.804 -7.191 6.778 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -3.472 -6.013 4.741 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -4.451 -7.193 5.590 1.00 1.00 H new ATOM 0 HG CYS A 23 -4.928 -5.018 7.160 1.00 1.00 H new ATOM 368 N ASN A 24 -3.377 -9.432 4.928 1.00 1.00 N ATOM 369 CA ASN A 24 -3.858 -10.847 4.953 1.00 1.00 C ATOM 370 C ASN A 24 -2.713 -11.807 5.297 1.00 1.00 C ATOM 371 O ASN A 24 -2.940 -12.923 5.717 1.00 1.00 O ATOM 372 CB ASN A 24 -4.429 -11.215 3.582 1.00 1.00 C ATOM 373 CG ASN A 24 -5.913 -10.848 3.532 1.00 1.00 C ATOM 374 OD1 ASN A 24 -6.257 -9.599 3.372 1.00 1.00 O flip ATOM 375 ND2 ASN A 24 -6.767 -11.705 3.641 1.00 1.00 N flip ATOM 0 H ASN A 24 -3.573 -8.925 4.065 1.00 1.00 H new ATOM 0 HA ASN A 24 -4.630 -10.936 5.717 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -3.887 -10.688 2.797 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -4.301 -12.282 3.397 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -6.497 -12.681 3.766 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.754 -11.449 3.608 1.00 1.00 H new ATOM 382 N ALA A 25 -1.486 -11.395 5.123 1.00 1.00 N ATOM 383 CA ALA A 25 -0.349 -12.309 5.441 1.00 1.00 C ATOM 384 C ALA A 25 -0.375 -13.494 4.473 1.00 1.00 C ATOM 385 O ALA A 25 -0.650 -14.615 4.856 1.00 1.00 O ATOM 386 CB ALA A 25 -0.491 -12.821 6.877 1.00 1.00 C ATOM 0 H ALA A 25 -1.222 -10.472 4.777 1.00 1.00 H new ATOM 0 HA ALA A 25 0.594 -11.772 5.341 1.00 1.00 H new ATOM 0 HB1 ALA A 25 0.339 -13.488 7.109 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -0.482 -11.977 7.567 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -1.431 -13.363 6.979 1.00 1.00 H new ATOM 392 N ASP A 26 -0.104 -13.255 3.219 1.00 1.00 N ATOM 393 CA ASP A 26 -0.125 -14.357 2.224 1.00 1.00 C ATOM 394 C ASP A 26 1.293 -14.673 1.767 1.00 1.00 C ATOM 395 O ASP A 26 1.509 -15.406 0.824 1.00 1.00 O ATOM 396 CB ASP A 26 -0.943 -13.897 1.032 1.00 1.00 C ATOM 397 CG ASP A 26 -1.799 -15.052 0.510 1.00 1.00 C ATOM 398 OD1 ASP A 26 -1.472 -16.189 0.811 1.00 1.00 O ATOM 399 OD2 ASP A 26 -2.765 -14.781 -0.183 1.00 1.00 O ATOM 0 H ASP A 26 0.132 -12.337 2.842 1.00 1.00 H new ATOM 0 HA ASP A 26 -0.559 -15.253 2.668 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -1.581 -13.061 1.319 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -0.282 -13.538 0.243 1.00 1.00 H new ATOM 404 N THR A 27 2.254 -14.121 2.431 1.00 1.00 N ATOM 405 CA THR A 27 3.663 -14.370 2.056 1.00 1.00 C ATOM 406 C THR A 27 4.152 -15.634 2.749 1.00 1.00 C ATOM 407 O THR A 27 3.392 -16.377 3.336 1.00 1.00 O ATOM 408 CB THR A 27 4.526 -13.184 2.492 1.00 1.00 C ATOM 409 OG1 THR A 27 4.535 -13.105 3.910 1.00 1.00 O ATOM 410 CG2 THR A 27 3.953 -11.890 1.910 1.00 1.00 C ATOM 0 H THR A 27 2.124 -13.499 3.229 1.00 1.00 H new ATOM 0 HA THR A 27 3.736 -14.493 0.975 1.00 1.00 H new ATOM 0 HB THR A 27 5.544 -13.322 2.128 1.00 1.00 H new ATOM 0 HG1 THR A 27 5.458 -13.020 4.227 1.00 1.00 H new ATOM 0 HG21 THR A 27 4.569 -11.047 2.222 1.00 1.00 H new ATOM 0 HG22 THR A 27 3.947 -11.952 0.822 1.00 1.00 H new ATOM 0 HG23 THR A 27 2.934 -11.748 2.271 1.00 1.00 H new ATOM 418 N SER A 28 5.422 -15.866 2.688 1.00 1.00 N ATOM 419 CA SER A 28 5.996 -17.069 3.345 1.00 1.00 C ATOM 420 C SER A 28 6.409 -16.693 4.767 1.00 1.00 C ATOM 421 O SER A 28 7.089 -17.436 5.446 1.00 1.00 O ATOM 422 CB SER A 28 7.222 -17.548 2.566 1.00 1.00 C ATOM 423 OG SER A 28 7.782 -18.678 3.221 1.00 1.00 O ATOM 0 H SER A 28 6.098 -15.272 2.208 1.00 1.00 H new ATOM 0 HA SER A 28 5.257 -17.870 3.367 1.00 1.00 H new ATOM 0 HB2 SER A 28 6.940 -17.807 1.545 1.00 1.00 H new ATOM 0 HB3 SER A 28 7.960 -16.749 2.500 1.00 1.00 H new ATOM 0 HG SER A 28 7.701 -18.567 4.191 1.00 1.00 H new ATOM 429 N SER A 29 5.996 -15.539 5.217 1.00 1.00 N ATOM 430 CA SER A 29 6.358 -15.101 6.591 1.00 1.00 C ATOM 431 C SER A 29 6.147 -13.592 6.716 1.00 1.00 C ATOM 432 O SER A 29 5.980 -12.896 5.733 1.00 1.00 O ATOM 433 CB SER A 29 7.823 -15.435 6.871 1.00 1.00 C ATOM 434 OG SER A 29 7.898 -16.682 7.551 1.00 1.00 O ATOM 0 H SER A 29 5.422 -14.881 4.689 1.00 1.00 H new ATOM 0 HA SER A 29 5.727 -15.620 7.312 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.382 -15.483 5.937 1.00 1.00 H new ATOM 0 HB3 SER A 29 8.278 -14.650 7.475 1.00 1.00 H new ATOM 0 HG SER A 29 7.838 -17.413 6.901 1.00 1.00 H new ATOM 440 N GLU A 30 6.159 -13.081 7.915 1.00 1.00 N ATOM 441 CA GLU A 30 5.962 -11.616 8.100 1.00 1.00 C ATOM 442 C GLU A 30 7.147 -10.864 7.491 1.00 1.00 C ATOM 443 O GLU A 30 7.066 -9.686 7.206 1.00 1.00 O ATOM 444 CB GLU A 30 5.869 -11.300 9.593 1.00 1.00 C ATOM 445 CG GLU A 30 5.740 -9.788 9.789 1.00 1.00 C ATOM 446 CD GLU A 30 5.456 -9.489 11.260 1.00 1.00 C ATOM 447 OE1 GLU A 30 5.230 -10.431 12.002 1.00 1.00 O ATOM 448 OE2 GLU A 30 5.470 -8.323 11.620 1.00 1.00 O ATOM 0 H GLU A 30 6.296 -13.613 8.774 1.00 1.00 H new ATOM 0 HA GLU A 30 5.041 -11.306 7.606 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.010 -11.808 10.030 1.00 1.00 H new ATOM 0 HB3 GLU A 30 6.755 -11.670 10.109 1.00 1.00 H new ATOM 0 HG2 GLU A 30 6.658 -9.290 9.476 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.936 -9.397 9.165 1.00 1.00 H new ATOM 455 N GLU A 31 8.249 -11.536 7.288 1.00 1.00 N ATOM 456 CA GLU A 31 9.435 -10.857 6.696 1.00 1.00 C ATOM 457 C GLU A 31 9.071 -10.327 5.309 1.00 1.00 C ATOM 458 O GLU A 31 9.188 -9.149 5.037 1.00 1.00 O ATOM 459 CB GLU A 31 10.596 -11.849 6.581 1.00 1.00 C ATOM 460 CG GLU A 31 11.875 -11.097 6.208 1.00 1.00 C ATOM 461 CD GLU A 31 12.808 -12.027 5.430 1.00 1.00 C ATOM 462 OE1 GLU A 31 12.463 -12.382 4.315 1.00 1.00 O ATOM 463 OE2 GLU A 31 13.852 -12.366 5.962 1.00 1.00 O ATOM 0 H GLU A 31 8.378 -12.524 7.507 1.00 1.00 H new ATOM 0 HA GLU A 31 9.737 -10.028 7.336 1.00 1.00 H new ATOM 0 HB2 GLU A 31 10.733 -12.375 7.526 1.00 1.00 H new ATOM 0 HB3 GLU A 31 10.371 -12.602 5.826 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.632 -10.222 5.605 1.00 1.00 H new ATOM 0 HG3 GLU A 31 12.372 -10.736 7.108 1.00 1.00 H new ATOM 470 N GLU A 32 8.619 -11.179 4.430 1.00 1.00 N ATOM 471 CA GLU A 32 8.235 -10.704 3.074 1.00 1.00 C ATOM 472 C GLU A 32 7.065 -9.733 3.218 1.00 1.00 C ATOM 473 O GLU A 32 6.872 -8.844 2.413 1.00 1.00 O ATOM 474 CB GLU A 32 7.814 -11.894 2.210 1.00 1.00 C ATOM 475 CG GLU A 32 9.039 -12.459 1.492 1.00 1.00 C ATOM 476 CD GLU A 32 9.063 -13.981 1.644 1.00 1.00 C ATOM 477 OE1 GLU A 32 8.276 -14.637 0.980 1.00 1.00 O ATOM 478 OE2 GLU A 32 9.869 -14.467 2.419 1.00 1.00 O ATOM 0 H GLU A 32 8.500 -12.179 4.593 1.00 1.00 H new ATOM 0 HA GLU A 32 9.080 -10.206 2.598 1.00 1.00 H new ATOM 0 HB2 GLU A 32 7.355 -12.664 2.831 1.00 1.00 H new ATOM 0 HB3 GLU A 32 7.064 -11.582 1.483 1.00 1.00 H new ATOM 0 HG2 GLU A 32 9.012 -12.189 0.436 1.00 1.00 H new ATOM 0 HG3 GLU A 32 9.949 -12.027 1.908 1.00 1.00 H new ATOM 485 N LEU A 33 6.287 -9.898 4.252 1.00 1.00 N ATOM 486 CA LEU A 33 5.132 -8.988 4.477 1.00 1.00 C ATOM 487 C LEU A 33 5.655 -7.601 4.818 1.00 1.00 C ATOM 488 O LEU A 33 5.020 -6.598 4.556 1.00 1.00 O ATOM 489 CB LEU A 33 4.292 -9.525 5.635 1.00 1.00 C ATOM 490 CG LEU A 33 2.817 -9.317 5.337 1.00 1.00 C ATOM 491 CD1 LEU A 33 2.373 -10.364 4.330 1.00 1.00 C ATOM 492 CD2 LEU A 33 2.012 -9.475 6.625 1.00 1.00 C ATOM 0 H LEU A 33 6.404 -10.629 4.954 1.00 1.00 H new ATOM 0 HA LEU A 33 4.516 -8.933 3.580 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.497 -10.585 5.784 1.00 1.00 H new ATOM 0 HB3 LEU A 33 4.562 -9.015 6.560 1.00 1.00 H new ATOM 0 HG LEU A 33 2.654 -8.318 4.932 1.00 1.00 H new ATOM 0 HD11 LEU A 33 1.315 -10.228 4.106 1.00 1.00 H new ATOM 0 HD12 LEU A 33 2.955 -10.258 3.414 1.00 1.00 H new ATOM 0 HD13 LEU A 33 2.530 -11.359 4.746 1.00 1.00 H new ATOM 0 HD21 LEU A 33 0.953 -9.326 6.413 1.00 1.00 H new ATOM 0 HD22 LEU A 33 2.164 -10.476 7.029 1.00 1.00 H new ATOM 0 HD23 LEU A 33 2.343 -8.736 7.354 1.00 1.00 H new ATOM 504 N VAL A 34 6.824 -7.538 5.379 1.00 1.00 N ATOM 505 CA VAL A 34 7.421 -6.226 5.720 1.00 1.00 C ATOM 506 C VAL A 34 7.997 -5.642 4.443 1.00 1.00 C ATOM 507 O VAL A 34 7.687 -4.546 4.061 1.00 1.00 O ATOM 508 CB VAL A 34 8.502 -6.442 6.794 1.00 1.00 C ATOM 509 CG1 VAL A 34 9.906 -6.248 6.219 1.00 1.00 C ATOM 510 CG2 VAL A 34 8.281 -5.457 7.943 1.00 1.00 C ATOM 0 H VAL A 34 7.396 -8.348 5.618 1.00 1.00 H new ATOM 0 HA VAL A 34 6.685 -5.531 6.125 1.00 1.00 H new ATOM 0 HB VAL A 34 8.422 -7.467 7.157 1.00 1.00 H new ATOM 0 HG11 VAL A 34 10.646 -6.408 7.003 1.00 1.00 H new ATOM 0 HG12 VAL A 34 10.071 -6.963 5.413 1.00 1.00 H new ATOM 0 HG13 VAL A 34 10.003 -5.234 5.830 1.00 1.00 H new ATOM 0 HG21 VAL A 34 9.046 -5.609 8.705 1.00 1.00 H new ATOM 0 HG22 VAL A 34 8.343 -4.437 7.565 1.00 1.00 H new ATOM 0 HG23 VAL A 34 7.296 -5.623 8.380 1.00 1.00 H new ATOM 520 N LYS A 35 8.813 -6.382 3.763 1.00 1.00 N ATOM 521 CA LYS A 35 9.367 -5.855 2.493 1.00 1.00 C ATOM 522 C LYS A 35 8.196 -5.502 1.574 1.00 1.00 C ATOM 523 O LYS A 35 8.335 -4.749 0.630 1.00 1.00 O ATOM 524 CB LYS A 35 10.250 -6.914 1.833 1.00 1.00 C ATOM 525 CG LYS A 35 11.719 -6.511 1.972 1.00 1.00 C ATOM 526 CD LYS A 35 12.116 -6.537 3.448 1.00 1.00 C ATOM 527 CE LYS A 35 13.569 -6.996 3.576 1.00 1.00 C ATOM 528 NZ LYS A 35 14.247 -6.206 4.642 1.00 1.00 N ATOM 0 H LYS A 35 9.119 -7.319 4.025 1.00 1.00 H new ATOM 0 HA LYS A 35 9.975 -4.970 2.683 1.00 1.00 H new ATOM 0 HB2 LYS A 35 10.082 -7.885 2.299 1.00 1.00 H new ATOM 0 HB3 LYS A 35 9.988 -7.017 0.780 1.00 1.00 H new ATOM 0 HG2 LYS A 35 12.350 -7.193 1.402 1.00 1.00 H new ATOM 0 HG3 LYS A 35 11.874 -5.514 1.560 1.00 1.00 H new ATOM 0 HD2 LYS A 35 11.996 -5.546 3.885 1.00 1.00 H new ATOM 0 HD3 LYS A 35 11.461 -7.210 4.000 1.00 1.00 H new ATOM 0 HE2 LYS A 35 13.606 -8.058 3.817 1.00 1.00 H new ATOM 0 HE3 LYS A 35 14.088 -6.866 2.626 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 15.235 -6.518 4.730 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 14.223 -5.196 4.394 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 13.756 -6.352 5.547 1.00 1.00 H new ATOM 542 N LEU A 36 7.033 -6.034 1.860 1.00 1.00 N ATOM 543 CA LEU A 36 5.851 -5.743 1.049 1.00 1.00 C ATOM 544 C LEU A 36 5.262 -4.412 1.511 1.00 1.00 C ATOM 545 O LEU A 36 4.880 -3.575 0.717 1.00 1.00 O ATOM 546 CB LEU A 36 4.857 -6.860 1.310 1.00 1.00 C ATOM 547 CG LEU A 36 4.821 -7.819 0.119 1.00 1.00 C ATOM 548 CD1 LEU A 36 4.309 -7.082 -1.118 1.00 1.00 C ATOM 549 CD2 LEU A 36 6.232 -8.346 -0.152 1.00 1.00 C ATOM 0 H LEU A 36 6.868 -6.669 2.641 1.00 1.00 H new ATOM 0 HA LEU A 36 6.091 -5.678 -0.012 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.135 -7.401 2.214 1.00 1.00 H new ATOM 0 HB3 LEU A 36 3.865 -6.442 1.481 1.00 1.00 H new ATOM 0 HG LEU A 36 4.156 -8.652 0.345 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.284 -7.767 -1.965 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.304 -6.705 -0.927 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.973 -6.248 -1.345 1.00 1.00 H new ATOM 0 HD21 LEU A 36 6.208 -9.030 -1.001 1.00 1.00 H new ATOM 0 HD22 LEU A 36 6.895 -7.511 -0.377 1.00 1.00 H new ATOM 0 HD23 LEU A 36 6.599 -8.873 0.729 1.00 1.00 H new ATOM 561 N VAL A 37 5.193 -4.216 2.800 1.00 1.00 N ATOM 562 CA VAL A 37 4.638 -2.947 3.338 1.00 1.00 C ATOM 563 C VAL A 37 5.569 -1.801 2.942 1.00 1.00 C ATOM 564 O VAL A 37 5.144 -0.794 2.412 1.00 1.00 O ATOM 565 CB VAL A 37 4.513 -3.058 4.869 1.00 1.00 C ATOM 566 CG1 VAL A 37 5.795 -2.606 5.560 1.00 1.00 C ATOM 567 CG2 VAL A 37 3.366 -2.178 5.347 1.00 1.00 C ATOM 0 H VAL A 37 5.500 -4.886 3.505 1.00 1.00 H new ATOM 0 HA VAL A 37 3.647 -2.753 2.928 1.00 1.00 H new ATOM 0 HB VAL A 37 4.327 -4.102 5.120 1.00 1.00 H new ATOM 0 HG11 VAL A 37 5.677 -2.695 6.640 1.00 1.00 H new ATOM 0 HG12 VAL A 37 6.625 -3.232 5.232 1.00 1.00 H new ATOM 0 HG13 VAL A 37 6.000 -1.567 5.302 1.00 1.00 H new ATOM 0 HG21 VAL A 37 3.276 -2.255 6.431 1.00 1.00 H new ATOM 0 HG22 VAL A 37 3.563 -1.142 5.072 1.00 1.00 H new ATOM 0 HG23 VAL A 37 2.437 -2.506 4.881 1.00 1.00 H new ATOM 577 N THR A 38 6.842 -1.958 3.175 1.00 1.00 N ATOM 578 CA THR A 38 7.802 -0.910 2.794 1.00 1.00 C ATOM 579 C THR A 38 7.535 -0.525 1.342 1.00 1.00 C ATOM 580 O THR A 38 7.475 0.637 0.996 1.00 1.00 O ATOM 581 CB THR A 38 9.207 -1.477 2.943 1.00 1.00 C ATOM 582 OG1 THR A 38 9.206 -2.485 3.944 1.00 1.00 O ATOM 583 CG2 THR A 38 10.163 -0.365 3.347 1.00 1.00 C ATOM 0 H THR A 38 7.253 -2.780 3.618 1.00 1.00 H new ATOM 0 HA THR A 38 7.701 -0.027 3.425 1.00 1.00 H new ATOM 0 HB THR A 38 9.528 -1.906 1.994 1.00 1.00 H new ATOM 0 HG1 THR A 38 8.844 -3.316 3.571 1.00 1.00 H new ATOM 0 HG21 THR A 38 11.169 -0.771 3.454 1.00 1.00 H new ATOM 0 HG22 THR A 38 10.164 0.410 2.581 1.00 1.00 H new ATOM 0 HG23 THR A 38 9.842 0.064 4.296 1.00 1.00 H new ATOM 591 N HIS A 39 7.345 -1.499 0.490 1.00 1.00 N ATOM 592 CA HIS A 39 7.050 -1.186 -0.931 1.00 1.00 C ATOM 593 C HIS A 39 5.863 -0.223 -0.963 1.00 1.00 C ATOM 594 O HIS A 39 5.881 0.781 -1.645 1.00 1.00 O ATOM 595 CB HIS A 39 6.693 -2.470 -1.683 1.00 1.00 C ATOM 596 CG HIS A 39 6.646 -2.186 -3.159 1.00 1.00 C ATOM 597 ND1 HIS A 39 7.629 -1.869 -4.065 1.00 1.00 N flip ATOM 598 CD2 HIS A 39 5.462 -2.207 -3.879 1.00 1.00 C flip ATOM 599 CE1 HIS A 39 7.066 -1.697 -5.326 1.00 1.00 C flip ATOM 600 NE2 HIS A 39 5.759 -1.912 -5.157 1.00 1.00 N flip ATOM 0 H HIS A 39 7.382 -2.492 0.720 1.00 1.00 H new ATOM 0 HA HIS A 39 7.920 -0.735 -1.408 1.00 1.00 H new ATOM 0 HB2 HIS A 39 7.431 -3.245 -1.474 1.00 1.00 H new ATOM 0 HB3 HIS A 39 5.729 -2.848 -1.343 1.00 1.00 H new ATOM 0 HD2 HIS A 39 4.479 -2.421 -3.485 1.00 1.00 H new ATOM 0 HE1 HIS A 39 7.576 -1.444 -6.244 1.00 1.00 H new ATOM 0 HE2 HIS A 39 5.069 -1.859 -5.907 1.00 1.00 H new ATOM 608 N PHE A 40 4.837 -0.516 -0.207 1.00 1.00 N ATOM 609 CA PHE A 40 3.659 0.393 -0.174 1.00 1.00 C ATOM 610 C PHE A 40 4.151 1.813 0.128 1.00 1.00 C ATOM 611 O PHE A 40 3.711 2.774 -0.471 1.00 1.00 O ATOM 612 CB PHE A 40 2.692 -0.071 0.920 1.00 1.00 C ATOM 613 CG PHE A 40 1.582 0.938 1.090 1.00 1.00 C ATOM 614 CD1 PHE A 40 1.805 2.101 1.837 1.00 1.00 C ATOM 615 CD2 PHE A 40 0.331 0.706 0.508 1.00 1.00 C ATOM 616 CE1 PHE A 40 0.773 3.033 2.002 1.00 1.00 C ATOM 617 CE2 PHE A 40 -0.701 1.639 0.673 1.00 1.00 C ATOM 618 CZ PHE A 40 -0.479 2.802 1.420 1.00 1.00 C ATOM 0 H PHE A 40 4.766 -1.343 0.386 1.00 1.00 H new ATOM 0 HA PHE A 40 3.140 0.379 -1.132 1.00 1.00 H new ATOM 0 HB2 PHE A 40 2.274 -1.043 0.659 1.00 1.00 H new ATOM 0 HB3 PHE A 40 3.228 -0.197 1.861 1.00 1.00 H new ATOM 0 HD1 PHE A 40 2.771 2.279 2.285 1.00 1.00 H new ATOM 0 HD2 PHE A 40 0.161 -0.192 -0.068 1.00 1.00 H new ATOM 0 HE1 PHE A 40 0.943 3.930 2.578 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -1.667 1.461 0.224 1.00 1.00 H new ATOM 0 HZ PHE A 40 -1.274 3.522 1.547 1.00 1.00 H new ATOM 628 N GLU A 41 5.068 1.945 1.049 1.00 1.00 N ATOM 629 CA GLU A 41 5.611 3.256 1.406 1.00 1.00 C ATOM 630 C GLU A 41 6.223 3.936 0.179 1.00 1.00 C ATOM 631 O GLU A 41 5.845 5.030 -0.193 1.00 1.00 O ATOM 632 CB GLU A 41 6.691 2.981 2.430 1.00 1.00 C ATOM 633 CG GLU A 41 6.269 3.571 3.759 1.00 1.00 C ATOM 634 CD GLU A 41 7.304 4.595 4.227 1.00 1.00 C ATOM 635 OE1 GLU A 41 7.337 5.675 3.661 1.00 1.00 O ATOM 636 OE2 GLU A 41 8.046 4.281 5.143 1.00 1.00 O ATOM 0 H GLU A 41 5.464 1.166 1.575 1.00 1.00 H new ATOM 0 HA GLU A 41 4.835 3.918 1.792 1.00 1.00 H new ATOM 0 HB2 GLU A 41 6.852 1.908 2.528 1.00 1.00 H new ATOM 0 HB3 GLU A 41 7.636 3.417 2.107 1.00 1.00 H new ATOM 0 HG2 GLU A 41 5.293 4.046 3.662 1.00 1.00 H new ATOM 0 HG3 GLU A 41 6.166 2.780 4.502 1.00 1.00 H new ATOM 643 N GLU A 42 7.174 3.300 -0.440 1.00 1.00 N ATOM 644 CA GLU A 42 7.831 3.905 -1.633 1.00 1.00 C ATOM 645 C GLU A 42 6.831 4.029 -2.784 1.00 1.00 C ATOM 646 O GLU A 42 7.130 4.597 -3.815 1.00 1.00 O ATOM 647 CB GLU A 42 8.994 3.012 -2.070 1.00 1.00 C ATOM 648 CG GLU A 42 10.222 3.875 -2.360 1.00 1.00 C ATOM 649 CD GLU A 42 10.157 4.384 -3.801 1.00 1.00 C ATOM 650 OE1 GLU A 42 10.184 3.560 -4.700 1.00 1.00 O ATOM 651 OE2 GLU A 42 10.079 5.589 -3.980 1.00 1.00 O ATOM 0 H GLU A 42 7.528 2.382 -0.171 1.00 1.00 H new ATOM 0 HA GLU A 42 8.197 4.898 -1.373 1.00 1.00 H new ATOM 0 HB2 GLU A 42 9.223 2.287 -1.289 1.00 1.00 H new ATOM 0 HB3 GLU A 42 8.717 2.446 -2.959 1.00 1.00 H new ATOM 0 HG2 GLU A 42 10.261 4.716 -1.667 1.00 1.00 H new ATOM 0 HG3 GLU A 42 11.132 3.294 -2.208 1.00 1.00 H new ATOM 658 N MET A 43 5.653 3.489 -2.633 1.00 1.00 N ATOM 659 CA MET A 43 4.660 3.561 -3.718 1.00 1.00 C ATOM 660 C MET A 43 3.803 4.826 -3.578 1.00 1.00 C ATOM 661 O MET A 43 3.833 5.699 -4.422 1.00 1.00 O ATOM 662 CB MET A 43 3.776 2.330 -3.616 1.00 1.00 C ATOM 663 CG MET A 43 4.465 1.149 -4.301 1.00 1.00 C ATOM 664 SD MET A 43 4.375 1.356 -6.095 1.00 1.00 S ATOM 665 CE MET A 43 6.132 1.103 -6.436 1.00 1.00 C ATOM 0 H MET A 43 5.342 2.999 -1.794 1.00 1.00 H new ATOM 0 HA MET A 43 5.163 3.599 -4.684 1.00 1.00 H new ATOM 0 HB2 MET A 43 3.582 2.094 -2.570 1.00 1.00 H new ATOM 0 HB3 MET A 43 2.811 2.523 -4.084 1.00 1.00 H new ATOM 0 HG2 MET A 43 5.506 1.087 -3.983 1.00 1.00 H new ATOM 0 HG3 MET A 43 3.986 0.215 -4.008 1.00 1.00 H new ATOM 0 HE1 MET A 43 6.530 1.972 -6.960 1.00 1.00 H new ATOM 0 HE2 MET A 43 6.669 0.969 -5.497 1.00 1.00 H new ATOM 0 HE3 MET A 43 6.258 0.216 -7.056 1.00 1.00 H new ATOM 675 N THR A 44 3.027 4.925 -2.533 1.00 1.00 N ATOM 676 CA THR A 44 2.160 6.132 -2.366 1.00 1.00 C ATOM 677 C THR A 44 2.885 7.215 -1.571 1.00 1.00 C ATOM 678 O THR A 44 2.325 8.248 -1.262 1.00 1.00 O ATOM 679 CB THR A 44 0.858 5.769 -1.648 1.00 1.00 C ATOM 680 OG1 THR A 44 0.447 6.863 -0.840 1.00 1.00 O ATOM 681 CG2 THR A 44 1.066 4.542 -0.769 1.00 1.00 C ATOM 0 H THR A 44 2.954 4.229 -1.791 1.00 1.00 H new ATOM 0 HA THR A 44 1.929 6.512 -3.361 1.00 1.00 H new ATOM 0 HB THR A 44 0.092 5.547 -2.391 1.00 1.00 H new ATOM 0 HG1 THR A 44 0.640 7.704 -1.305 1.00 1.00 H new ATOM 0 HG21 THR A 44 0.133 4.294 -0.264 1.00 1.00 H new ATOM 0 HG22 THR A 44 1.379 3.700 -1.387 1.00 1.00 H new ATOM 0 HG23 THR A 44 1.836 4.753 -0.026 1.00 1.00 H new ATOM 689 N GLU A 45 4.118 6.994 -1.227 1.00 1.00 N ATOM 690 CA GLU A 45 4.859 8.022 -0.443 1.00 1.00 C ATOM 691 C GLU A 45 4.028 8.412 0.786 1.00 1.00 C ATOM 692 O GLU A 45 4.221 9.455 1.378 1.00 1.00 O ATOM 693 CB GLU A 45 5.095 9.255 -1.318 1.00 1.00 C ATOM 694 CG GLU A 45 6.466 9.150 -1.988 1.00 1.00 C ATOM 695 CD GLU A 45 6.928 10.540 -2.426 1.00 1.00 C ATOM 696 OE1 GLU A 45 6.129 11.459 -2.352 1.00 1.00 O ATOM 697 OE2 GLU A 45 8.072 10.663 -2.831 1.00 1.00 O ATOM 0 H GLU A 45 4.646 6.151 -1.452 1.00 1.00 H new ATOM 0 HA GLU A 45 5.820 7.620 -0.121 1.00 1.00 H new ATOM 0 HB2 GLU A 45 4.314 9.332 -2.074 1.00 1.00 H new ATOM 0 HB3 GLU A 45 5.043 10.160 -0.712 1.00 1.00 H new ATOM 0 HG2 GLU A 45 7.188 8.716 -1.296 1.00 1.00 H new ATOM 0 HG3 GLU A 45 6.411 8.485 -2.850 1.00 1.00 H new ATOM 704 N HIS A 46 3.108 7.570 1.175 1.00 1.00 N ATOM 705 CA HIS A 46 2.258 7.859 2.366 1.00 1.00 C ATOM 706 C HIS A 46 3.167 8.219 3.551 1.00 1.00 C ATOM 707 O HIS A 46 4.264 7.707 3.655 1.00 1.00 O ATOM 708 CB HIS A 46 1.445 6.595 2.683 1.00 1.00 C ATOM 709 CG HIS A 46 0.166 6.948 3.392 1.00 1.00 C ATOM 710 ND1 HIS A 46 0.016 6.763 4.756 1.00 1.00 N ATOM 711 CD2 HIS A 46 -1.031 7.467 2.949 1.00 1.00 C ATOM 712 CE1 HIS A 46 -1.222 7.159 5.089 1.00 1.00 C ATOM 713 NE2 HIS A 46 -1.906 7.598 4.026 1.00 1.00 N ATOM 0 H HIS A 46 2.907 6.684 0.712 1.00 1.00 H new ATOM 0 HA HIS A 46 1.583 8.694 2.175 1.00 1.00 H new ATOM 0 HB2 HIS A 46 1.219 6.061 1.760 1.00 1.00 H new ATOM 0 HB3 HIS A 46 2.037 5.922 3.304 1.00 1.00 H new ATOM 0 HD2 HIS A 46 -1.256 7.731 1.926 1.00 1.00 H new ATOM 0 HE1 HIS A 46 -1.618 7.127 6.093 1.00 1.00 H new ATOM 0 HE2 HIS A 46 -2.862 7.952 4.008 1.00 1.00 H new ATOM 721 N PRO A 47 2.694 9.090 4.411 1.00 1.00 N ATOM 722 CA PRO A 47 3.461 9.527 5.591 1.00 1.00 C ATOM 723 C PRO A 47 3.539 8.400 6.624 1.00 1.00 C ATOM 724 O PRO A 47 4.610 8.035 7.066 1.00 1.00 O ATOM 725 CB PRO A 47 2.680 10.736 6.112 1.00 1.00 C ATOM 726 CG PRO A 47 1.248 10.601 5.550 1.00 1.00 C ATOM 727 CD PRO A 47 1.355 9.710 4.299 1.00 1.00 C ATOM 0 HA PRO A 47 4.496 9.784 5.364 1.00 1.00 H new ATOM 0 HB2 PRO A 47 2.670 10.752 7.202 1.00 1.00 H new ATOM 0 HB3 PRO A 47 3.141 11.668 5.783 1.00 1.00 H new ATOM 0 HG2 PRO A 47 0.581 10.156 6.288 1.00 1.00 H new ATOM 0 HG3 PRO A 47 0.836 11.578 5.297 1.00 1.00 H new ATOM 0 HD2 PRO A 47 0.567 8.957 4.278 1.00 1.00 H new ATOM 0 HD3 PRO A 47 1.262 10.295 3.384 1.00 1.00 H new ATOM 735 N SER A 48 2.429 7.822 6.996 1.00 1.00 N ATOM 736 CA SER A 48 2.486 6.704 7.967 1.00 1.00 C ATOM 737 C SER A 48 3.203 5.547 7.285 1.00 1.00 C ATOM 738 O SER A 48 3.885 4.758 7.907 1.00 1.00 O ATOM 739 CB SER A 48 1.071 6.276 8.337 1.00 1.00 C ATOM 740 OG SER A 48 0.871 6.458 9.733 1.00 1.00 O ATOM 0 H SER A 48 1.496 8.076 6.671 1.00 1.00 H new ATOM 0 HA SER A 48 3.009 7.006 8.874 1.00 1.00 H new ATOM 0 HB2 SER A 48 0.344 6.862 7.775 1.00 1.00 H new ATOM 0 HB3 SER A 48 0.914 5.231 8.069 1.00 1.00 H new ATOM 0 HG SER A 48 -0.078 6.339 9.946 1.00 1.00 H new ATOM 746 N GLY A 49 3.052 5.459 5.993 1.00 1.00 N ATOM 747 CA GLY A 49 3.709 4.381 5.225 1.00 1.00 C ATOM 748 C GLY A 49 3.225 3.032 5.728 1.00 1.00 C ATOM 749 O GLY A 49 2.088 2.646 5.535 1.00 1.00 O ATOM 0 H GLY A 49 2.491 6.102 5.434 1.00 1.00 H new ATOM 0 HA2 GLY A 49 3.484 4.487 4.164 1.00 1.00 H new ATOM 0 HA3 GLY A 49 4.792 4.453 5.330 1.00 1.00 H new ATOM 753 N SER A 50 4.087 2.315 6.374 1.00 1.00 N ATOM 754 CA SER A 50 3.707 0.978 6.897 1.00 1.00 C ATOM 755 C SER A 50 2.845 1.121 8.149 1.00 1.00 C ATOM 756 O SER A 50 2.544 0.151 8.813 1.00 1.00 O ATOM 757 CB SER A 50 4.970 0.187 7.232 1.00 1.00 C ATOM 758 OG SER A 50 5.999 1.090 7.614 1.00 1.00 O ATOM 0 H SER A 50 5.048 2.597 6.566 1.00 1.00 H new ATOM 0 HA SER A 50 3.133 0.450 6.135 1.00 1.00 H new ATOM 0 HB2 SER A 50 4.769 -0.517 8.040 1.00 1.00 H new ATOM 0 HB3 SER A 50 5.286 -0.399 6.369 1.00 1.00 H new ATOM 0 HG SER A 50 6.811 0.587 7.832 1.00 1.00 H new ATOM 764 N ASP A 51 2.421 2.311 8.472 1.00 1.00 N ATOM 765 CA ASP A 51 1.568 2.490 9.647 1.00 1.00 C ATOM 766 C ASP A 51 0.136 2.234 9.214 1.00 1.00 C ATOM 767 O ASP A 51 -0.654 1.672 9.933 1.00 1.00 O ATOM 768 CB ASP A 51 1.692 3.933 10.100 1.00 1.00 C ATOM 769 CG ASP A 51 2.167 3.999 11.553 1.00 1.00 C ATOM 770 OD1 ASP A 51 2.735 3.022 12.013 1.00 1.00 O ATOM 771 OD2 ASP A 51 1.957 5.025 12.179 1.00 1.00 O ATOM 0 H ASP A 51 2.638 3.165 7.959 1.00 1.00 H new ATOM 0 HA ASP A 51 1.853 1.815 10.454 1.00 1.00 H new ATOM 0 HB2 ASP A 51 2.395 4.463 9.457 1.00 1.00 H new ATOM 0 HB3 ASP A 51 0.729 4.435 10.003 1.00 1.00 H new ATOM 776 N LEU A 52 -0.197 2.639 8.020 1.00 1.00 N ATOM 777 CA LEU A 52 -1.573 2.433 7.524 1.00 1.00 C ATOM 778 C LEU A 52 -2.014 1.012 7.858 1.00 1.00 C ATOM 779 O LEU A 52 -3.174 0.745 8.095 1.00 1.00 O ATOM 780 CB LEU A 52 -1.569 2.678 6.023 1.00 1.00 C ATOM 781 CG LEU A 52 -2.522 3.827 5.630 1.00 1.00 C ATOM 782 CD1 LEU A 52 -2.619 4.878 6.743 1.00 1.00 C ATOM 783 CD2 LEU A 52 -1.976 4.509 4.379 1.00 1.00 C ATOM 0 H LEU A 52 0.433 3.106 7.368 1.00 1.00 H new ATOM 0 HA LEU A 52 -2.276 3.121 7.995 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -0.557 2.916 5.696 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -1.865 1.766 5.505 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.512 3.406 5.456 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.298 5.673 6.434 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -2.997 4.411 7.653 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -1.631 5.298 6.934 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -2.640 5.324 4.090 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.982 4.907 4.586 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.915 3.785 3.567 1.00 1.00 H new ATOM 795 N ILE A 53 -1.084 0.104 7.918 1.00 1.00 N ATOM 796 CA ILE A 53 -1.428 -1.297 8.276 1.00 1.00 C ATOM 797 C ILE A 53 -0.993 -1.538 9.723 1.00 1.00 C ATOM 798 O ILE A 53 -1.678 -2.172 10.498 1.00 1.00 O ATOM 799 CB ILE A 53 -0.677 -2.261 7.352 1.00 1.00 C ATOM 800 CG1 ILE A 53 -0.738 -1.740 5.915 1.00 1.00 C ATOM 801 CG2 ILE A 53 -1.315 -3.649 7.418 1.00 1.00 C ATOM 802 CD1 ILE A 53 0.681 -1.638 5.355 1.00 1.00 C ATOM 0 H ILE A 53 -0.095 0.273 7.733 1.00 1.00 H new ATOM 0 HA ILE A 53 -2.500 -1.463 8.168 1.00 1.00 H new ATOM 0 HB ILE A 53 0.362 -2.329 7.674 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -1.338 -2.409 5.298 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -1.222 -0.764 5.890 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -0.776 -4.329 6.759 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -1.269 -4.023 8.441 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -2.356 -3.586 7.102 1.00 1.00 H new ATOM 0 HD11 ILE A 53 0.642 -1.267 4.331 1.00 1.00 H new ATOM 0 HD12 ILE A 53 1.265 -0.952 5.968 1.00 1.00 H new ATOM 0 HD13 ILE A 53 1.148 -2.623 5.367 1.00 1.00 H new ATOM 814 N TYR A 54 0.149 -1.020 10.083 1.00 1.00 N ATOM 815 CA TYR A 54 0.657 -1.190 11.474 1.00 1.00 C ATOM 816 C TYR A 54 0.263 0.023 12.315 1.00 1.00 C ATOM 817 O TYR A 54 0.975 0.421 13.213 1.00 1.00 O ATOM 818 CB TYR A 54 2.181 -1.314 11.447 1.00 1.00 C ATOM 819 CG TYR A 54 2.593 -2.610 10.776 1.00 1.00 C ATOM 820 CD1 TYR A 54 1.628 -3.562 10.412 1.00 1.00 C ATOM 821 CD2 TYR A 54 3.946 -2.858 10.517 1.00 1.00 C ATOM 822 CE1 TYR A 54 2.018 -4.756 9.792 1.00 1.00 C ATOM 823 CE2 TYR A 54 4.335 -4.052 9.897 1.00 1.00 C ATOM 824 CZ TYR A 54 3.372 -5.000 9.535 1.00 1.00 C ATOM 825 OH TYR A 54 3.757 -6.177 8.924 1.00 1.00 O ATOM 0 H TYR A 54 0.758 -0.481 9.467 1.00 1.00 H new ATOM 0 HA TYR A 54 0.224 -2.090 11.910 1.00 1.00 H new ATOM 0 HB2 TYR A 54 2.612 -0.467 10.913 1.00 1.00 H new ATOM 0 HB3 TYR A 54 2.573 -1.282 12.464 1.00 1.00 H new ATOM 0 HD1 TYR A 54 0.583 -3.374 10.610 1.00 1.00 H new ATOM 0 HD2 TYR A 54 4.691 -2.128 10.796 1.00 1.00 H new ATOM 0 HE1 TYR A 54 1.274 -5.488 9.513 1.00 1.00 H new ATOM 0 HE2 TYR A 54 5.380 -4.241 9.698 1.00 1.00 H new ATOM 0 HH TYR A 54 4.731 -6.187 8.818 1.00 1.00 H new ATOM 835 N TYR A 55 -0.854 0.621 12.027 1.00 1.00 N ATOM 836 CA TYR A 55 -1.275 1.819 12.803 1.00 1.00 C ATOM 837 C TYR A 55 -2.783 2.037 12.643 1.00 1.00 C ATOM 838 O TYR A 55 -3.211 3.055 12.138 1.00 1.00 O ATOM 839 CB TYR A 55 -0.527 3.063 12.290 1.00 1.00 C ATOM 840 CG TYR A 55 0.107 3.777 13.462 1.00 1.00 C ATOM 841 CD1 TYR A 55 1.239 3.239 14.087 1.00 1.00 C ATOM 842 CD2 TYR A 55 -0.444 4.978 13.928 1.00 1.00 C ATOM 843 CE1 TYR A 55 1.819 3.899 15.176 1.00 1.00 C ATOM 844 CE2 TYR A 55 0.138 5.639 15.016 1.00 1.00 C ATOM 845 CZ TYR A 55 1.268 5.100 15.641 1.00 1.00 C ATOM 846 OH TYR A 55 1.840 5.751 16.714 1.00 1.00 O ATOM 0 H TYR A 55 -1.496 0.334 11.288 1.00 1.00 H new ATOM 0 HA TYR A 55 -1.039 1.660 13.855 1.00 1.00 H new ATOM 0 HB2 TYR A 55 0.237 2.772 11.569 1.00 1.00 H new ATOM 0 HB3 TYR A 55 -1.217 3.729 11.772 1.00 1.00 H new ATOM 0 HD1 TYR A 55 1.665 2.314 13.728 1.00 1.00 H new ATOM 0 HD2 TYR A 55 -1.318 5.394 13.448 1.00 1.00 H new ATOM 0 HE1 TYR A 55 2.691 3.483 15.658 1.00 1.00 H new ATOM 0 HE2 TYR A 55 -0.286 6.566 15.373 1.00 1.00 H new ATOM 0 HH TYR A 55 1.336 6.569 16.907 1.00 1.00 H new ATOM 856 N PRO A 56 -3.543 1.072 13.092 1.00 1.00 N ATOM 857 CA PRO A 56 -5.013 1.120 13.029 1.00 1.00 C ATOM 858 C PRO A 56 -5.562 1.997 14.159 1.00 1.00 C ATOM 859 O PRO A 56 -5.205 1.837 15.309 1.00 1.00 O ATOM 860 CB PRO A 56 -5.428 -0.341 13.219 1.00 1.00 C ATOM 861 CG PRO A 56 -4.243 -1.043 13.930 1.00 1.00 C ATOM 862 CD PRO A 56 -3.002 -0.159 13.701 1.00 1.00 C ATOM 0 HA PRO A 56 -5.392 1.546 12.100 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -6.337 -0.412 13.817 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -5.640 -0.813 12.259 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -4.444 -1.159 14.995 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -4.086 -2.043 13.525 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -2.486 0.053 14.637 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -2.282 -0.646 13.043 1.00 1.00 H new ATOM 870 N LYS A 57 -6.420 2.928 13.843 1.00 1.00 N ATOM 871 CA LYS A 57 -6.977 3.810 14.897 1.00 1.00 C ATOM 872 C LYS A 57 -7.432 2.962 16.084 1.00 1.00 C ATOM 873 O LYS A 57 -7.478 1.751 16.010 1.00 1.00 O ATOM 874 CB LYS A 57 -8.169 4.590 14.336 1.00 1.00 C ATOM 875 CG LYS A 57 -7.683 5.550 13.248 1.00 1.00 C ATOM 876 CD LYS A 57 -8.535 5.372 11.989 1.00 1.00 C ATOM 877 CE LYS A 57 -9.089 6.729 11.551 1.00 1.00 C ATOM 878 NZ LYS A 57 -10.554 6.777 11.821 1.00 1.00 N ATOM 0 H LYS A 57 -6.757 3.113 12.898 1.00 1.00 H new ATOM 0 HA LYS A 57 -6.210 4.511 15.226 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -8.907 3.901 13.925 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -8.661 5.146 15.134 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -7.748 6.579 13.601 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -6.635 5.357 13.020 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -7.935 4.937 11.190 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -9.353 4.680 12.186 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -8.583 7.531 12.088 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -8.898 6.886 10.489 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -10.979 7.564 11.291 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -10.992 5.882 11.522 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -10.715 6.918 12.839 1.00 1.00 H new ATOM 892 N GLU A 58 -7.772 3.586 17.178 1.00 1.00 N ATOM 893 CA GLU A 58 -8.226 2.810 18.362 1.00 1.00 C ATOM 894 C GLU A 58 -9.744 2.642 18.301 1.00 1.00 C ATOM 895 O GLU A 58 -10.489 3.411 18.873 1.00 1.00 O ATOM 896 CB GLU A 58 -7.840 3.552 19.644 1.00 1.00 C ATOM 897 CG GLU A 58 -8.116 2.659 20.855 1.00 1.00 C ATOM 898 CD GLU A 58 -6.792 2.123 21.407 1.00 1.00 C ATOM 899 OE1 GLU A 58 -6.175 2.822 22.194 1.00 1.00 O ATOM 900 OE2 GLU A 58 -6.421 1.023 21.034 1.00 1.00 O ATOM 0 H GLU A 58 -7.755 4.598 17.302 1.00 1.00 H new ATOM 0 HA GLU A 58 -7.750 1.830 18.361 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -6.786 3.826 19.614 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -8.408 4.479 19.725 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -8.641 3.224 21.625 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -8.765 1.831 20.569 1.00 1.00 H new ATOM 907 N GLY A 59 -10.203 1.641 17.603 1.00 1.00 N ATOM 908 CA GLY A 59 -11.670 1.419 17.491 1.00 1.00 C ATOM 909 C GLY A 59 -12.038 1.209 16.022 1.00 1.00 C ATOM 910 O GLY A 59 -13.160 0.876 15.695 1.00 1.00 O ATOM 0 H GLY A 59 -9.623 0.966 17.104 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -11.964 0.550 18.079 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -12.211 2.275 17.895 1.00 1.00 H new ATOM 914 N ASP A 60 -11.100 1.401 15.131 1.00 1.00 N ATOM 915 CA ASP A 60 -11.399 1.212 13.686 1.00 1.00 C ATOM 916 C ASP A 60 -10.977 -0.194 13.258 1.00 1.00 C ATOM 917 O ASP A 60 -11.105 -1.146 14.003 1.00 1.00 O ATOM 918 CB ASP A 60 -10.626 2.252 12.874 1.00 1.00 C ATOM 919 CG ASP A 60 -11.374 2.546 11.572 1.00 1.00 C ATOM 920 OD1 ASP A 60 -12.072 1.665 11.100 1.00 1.00 O ATOM 921 OD2 ASP A 60 -11.236 3.651 11.070 1.00 1.00 O ATOM 0 H ASP A 60 -10.142 1.680 15.344 1.00 1.00 H new ATOM 0 HA ASP A 60 -12.468 1.334 13.511 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -10.510 3.168 13.453 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -9.623 1.885 12.654 1.00 1.00 H new ATOM 926 N ASP A 61 -10.478 -0.332 12.063 1.00 1.00 N ATOM 927 CA ASP A 61 -10.049 -1.673 11.582 1.00 1.00 C ATOM 928 C ASP A 61 -8.757 -1.535 10.776 1.00 1.00 C ATOM 929 O ASP A 61 -8.458 -0.489 10.234 1.00 1.00 O ATOM 930 CB ASP A 61 -11.143 -2.270 10.693 1.00 1.00 C ATOM 931 CG ASP A 61 -11.621 -1.214 9.695 1.00 1.00 C ATOM 932 OD1 ASP A 61 -10.852 -0.867 8.813 1.00 1.00 O ATOM 933 OD2 ASP A 61 -12.750 -0.770 9.829 1.00 1.00 O ATOM 0 H ASP A 61 -10.348 0.429 11.396 1.00 1.00 H new ATOM 0 HA ASP A 61 -9.877 -2.328 12.436 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -10.760 -3.141 10.162 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -11.978 -2.612 11.305 1.00 1.00 H new ATOM 938 N ASP A 62 -7.989 -2.585 10.694 1.00 1.00 N ATOM 939 CA ASP A 62 -6.713 -2.524 9.926 1.00 1.00 C ATOM 940 C ASP A 62 -6.829 -3.363 8.654 1.00 1.00 C ATOM 941 O ASP A 62 -5.851 -3.886 8.155 1.00 1.00 O ATOM 942 CB ASP A 62 -5.581 -3.057 10.778 1.00 1.00 C ATOM 943 CG ASP A 62 -4.291 -2.306 10.444 1.00 1.00 C ATOM 944 OD1 ASP A 62 -3.696 -2.620 9.427 1.00 1.00 O ATOM 945 OD2 ASP A 62 -3.921 -1.431 11.209 1.00 1.00 O ATOM 0 H ASP A 62 -8.190 -3.486 11.127 1.00 1.00 H new ATOM 0 HA ASP A 62 -6.510 -1.488 9.656 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -5.820 -2.938 11.835 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -5.449 -4.124 10.600 1.00 1.00 H new ATOM 950 N SER A 63 -8.011 -3.493 8.116 1.00 1.00 N ATOM 951 CA SER A 63 -8.173 -4.291 6.870 1.00 1.00 C ATOM 952 C SER A 63 -7.220 -3.745 5.803 1.00 1.00 C ATOM 953 O SER A 63 -6.708 -2.653 5.936 1.00 1.00 O ATOM 954 CB SER A 63 -9.616 -4.180 6.375 1.00 1.00 C ATOM 955 OG SER A 63 -10.464 -3.860 7.472 1.00 1.00 O ATOM 0 H SER A 63 -8.869 -3.082 8.485 1.00 1.00 H new ATOM 0 HA SER A 63 -7.943 -5.338 7.069 1.00 1.00 H new ATOM 0 HB2 SER A 63 -9.691 -3.411 5.606 1.00 1.00 H new ATOM 0 HB3 SER A 63 -9.930 -5.119 5.919 1.00 1.00 H new ATOM 0 HG SER A 63 -11.390 -3.786 7.159 1.00 1.00 H new ATOM 961 N PRO A 64 -7.011 -4.523 4.773 1.00 1.00 N ATOM 962 CA PRO A 64 -6.123 -4.139 3.662 1.00 1.00 C ATOM 963 C PRO A 64 -6.822 -3.124 2.754 1.00 1.00 C ATOM 964 O PRO A 64 -6.311 -2.053 2.499 1.00 1.00 O ATOM 965 CB PRO A 64 -5.873 -5.460 2.929 1.00 1.00 C ATOM 966 CG PRO A 64 -7.049 -6.392 3.301 1.00 1.00 C ATOM 967 CD PRO A 64 -7.641 -5.851 4.615 1.00 1.00 C ATOM 0 HA PRO A 64 -5.198 -3.664 3.990 1.00 1.00 H new ATOM 0 HB2 PRO A 64 -5.827 -5.304 1.851 1.00 1.00 H new ATOM 0 HB3 PRO A 64 -4.921 -5.897 3.229 1.00 1.00 H new ATOM 0 HG2 PRO A 64 -7.801 -6.401 2.512 1.00 1.00 H new ATOM 0 HG3 PRO A 64 -6.705 -7.419 3.425 1.00 1.00 H new ATOM 0 HD2 PRO A 64 -8.727 -5.773 4.561 1.00 1.00 H new ATOM 0 HD3 PRO A 64 -7.409 -6.505 5.456 1.00 1.00 H new ATOM 975 N SER A 65 -7.985 -3.458 2.267 1.00 1.00 N ATOM 976 CA SER A 65 -8.726 -2.520 1.376 1.00 1.00 C ATOM 977 C SER A 65 -8.892 -1.158 2.061 1.00 1.00 C ATOM 978 O SER A 65 -8.653 -0.129 1.469 1.00 1.00 O ATOM 979 CB SER A 65 -10.105 -3.103 1.068 1.00 1.00 C ATOM 980 OG SER A 65 -10.671 -2.413 -0.039 1.00 1.00 O ATOM 0 H SER A 65 -8.456 -4.344 2.448 1.00 1.00 H new ATOM 0 HA SER A 65 -8.163 -2.386 0.452 1.00 1.00 H new ATOM 0 HB2 SER A 65 -10.021 -4.166 0.844 1.00 1.00 H new ATOM 0 HB3 SER A 65 -10.754 -3.011 1.939 1.00 1.00 H new ATOM 0 HG SER A 65 -11.555 -2.786 -0.240 1.00 1.00 H new ATOM 986 N GLY A 66 -9.337 -1.141 3.293 1.00 1.00 N ATOM 987 CA GLY A 66 -9.553 0.147 3.996 1.00 1.00 C ATOM 988 C GLY A 66 -8.274 0.974 4.044 1.00 1.00 C ATOM 989 O GLY A 66 -8.297 2.175 4.231 1.00 1.00 O ATOM 0 H GLY A 66 -9.559 -1.973 3.840 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -10.335 0.713 3.490 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -9.903 -0.044 5.010 1.00 1.00 H new ATOM 993 N ILE A 67 -7.168 0.339 3.870 1.00 1.00 N ATOM 994 CA ILE A 67 -5.865 1.068 3.895 1.00 1.00 C ATOM 995 C ILE A 67 -5.576 1.600 2.493 1.00 1.00 C ATOM 996 O ILE A 67 -4.954 2.628 2.313 1.00 1.00 O ATOM 997 CB ILE A 67 -4.754 0.110 4.331 1.00 1.00 C ATOM 998 CG1 ILE A 67 -4.866 -0.126 5.839 1.00 1.00 C ATOM 999 CG2 ILE A 67 -3.388 0.725 4.011 1.00 1.00 C ATOM 1000 CD1 ILE A 67 -4.323 -1.514 6.187 1.00 1.00 C ATOM 0 H ILE A 67 -7.097 -0.666 3.709 1.00 1.00 H new ATOM 0 HA ILE A 67 -5.911 1.898 4.600 1.00 1.00 H new ATOM 0 HB ILE A 67 -4.854 -0.836 3.799 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -4.308 0.639 6.379 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -5.906 -0.043 6.153 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -2.599 0.041 4.323 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -3.311 0.903 2.938 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -3.280 1.670 4.544 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -4.405 -1.678 7.262 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -4.900 -2.273 5.659 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -3.277 -1.581 5.888 1.00 1.00 H new ATOM 1012 N VAL A 68 -6.057 0.909 1.506 1.00 1.00 N ATOM 1013 CA VAL A 68 -5.866 1.344 0.097 1.00 1.00 C ATOM 1014 C VAL A 68 -6.898 2.425 -0.184 1.00 1.00 C ATOM 1015 O VAL A 68 -6.756 3.233 -1.076 1.00 1.00 O ATOM 1016 CB VAL A 68 -6.101 0.140 -0.816 1.00 1.00 C ATOM 1017 CG1 VAL A 68 -5.254 0.251 -2.085 1.00 1.00 C ATOM 1018 CG2 VAL A 68 -5.721 -1.130 -0.055 1.00 1.00 C ATOM 0 H VAL A 68 -6.585 0.043 1.616 1.00 1.00 H new ATOM 0 HA VAL A 68 -4.861 1.730 -0.076 1.00 1.00 H new ATOM 0 HB VAL A 68 -7.151 0.108 -1.107 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -5.436 -0.615 -2.721 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -5.523 1.159 -2.624 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.198 0.288 -1.816 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -5.883 -1.999 -0.693 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -4.671 -1.082 0.232 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -6.338 -1.217 0.839 1.00 1.00 H new ATOM 1028 N ASN A 69 -7.926 2.455 0.613 1.00 1.00 N ATOM 1029 CA ASN A 69 -8.965 3.500 0.454 1.00 1.00 C ATOM 1030 C ASN A 69 -8.410 4.774 1.083 1.00 1.00 C ATOM 1031 O ASN A 69 -8.656 5.877 0.632 1.00 1.00 O ATOM 1032 CB ASN A 69 -10.239 3.070 1.186 1.00 1.00 C ATOM 1033 CG ASN A 69 -11.432 3.859 0.650 1.00 1.00 C ATOM 1034 OD1 ASN A 69 -11.664 4.982 1.054 1.00 1.00 O ATOM 1035 ND2 ASN A 69 -12.208 3.317 -0.250 1.00 1.00 N ATOM 0 H ASN A 69 -8.090 1.795 1.373 1.00 1.00 H new ATOM 0 HA ASN A 69 -9.210 3.659 -0.596 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -10.406 2.002 1.049 1.00 1.00 H new ATOM 0 HB3 ASN A 69 -10.130 3.240 2.257 1.00 1.00 H new ATOM 0 HD21 ASN A 69 -13.008 3.836 -0.613 1.00 1.00 H new ATOM 0 HD22 ASN A 69 -12.014 2.375 -0.590 1.00 1.00 H new ATOM 1042 N THR A 70 -7.627 4.612 2.120 1.00 1.00 N ATOM 1043 CA THR A 70 -7.013 5.782 2.792 1.00 1.00 C ATOM 1044 C THR A 70 -6.019 6.427 1.819 1.00 1.00 C ATOM 1045 O THR A 70 -6.056 7.617 1.588 1.00 1.00 O ATOM 1046 CB THR A 70 -6.317 5.303 4.085 1.00 1.00 C ATOM 1047 OG1 THR A 70 -7.023 5.810 5.208 1.00 1.00 O ATOM 1048 CG2 THR A 70 -4.862 5.781 4.149 1.00 1.00 C ATOM 0 H THR A 70 -7.389 3.708 2.528 1.00 1.00 H new ATOM 0 HA THR A 70 -7.762 6.525 3.066 1.00 1.00 H new ATOM 0 HB THR A 70 -6.319 4.213 4.090 1.00 1.00 H new ATOM 0 HG1 THR A 70 -6.587 5.508 6.032 1.00 1.00 H new ATOM 0 HG21 THR A 70 -4.403 5.426 5.072 1.00 1.00 H new ATOM 0 HG22 THR A 70 -4.312 5.387 3.295 1.00 1.00 H new ATOM 0 HG23 THR A 70 -4.836 6.870 4.126 1.00 1.00 H new ATOM 1056 N VAL A 71 -5.146 5.647 1.231 1.00 1.00 N ATOM 1057 CA VAL A 71 -4.174 6.226 0.260 1.00 1.00 C ATOM 1058 C VAL A 71 -4.954 6.804 -0.910 1.00 1.00 C ATOM 1059 O VAL A 71 -4.706 7.900 -1.362 1.00 1.00 O ATOM 1060 CB VAL A 71 -3.216 5.148 -0.242 1.00 1.00 C ATOM 1061 CG1 VAL A 71 -3.896 4.300 -1.308 1.00 1.00 C ATOM 1062 CG2 VAL A 71 -1.984 5.822 -0.852 1.00 1.00 C ATOM 0 H VAL A 71 -5.066 4.641 1.381 1.00 1.00 H new ATOM 0 HA VAL A 71 -3.588 7.005 0.748 1.00 1.00 H new ATOM 0 HB VAL A 71 -2.924 4.510 0.592 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -3.205 3.534 -1.660 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -4.780 3.824 -0.885 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -4.191 4.934 -2.144 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -1.294 5.060 -1.213 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -2.291 6.457 -1.683 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -1.489 6.430 -0.094 1.00 1.00 H new ATOM 1072 N LYS A 72 -5.893 6.053 -1.399 1.00 1.00 N ATOM 1073 CA LYS A 72 -6.719 6.525 -2.544 1.00 1.00 C ATOM 1074 C LYS A 72 -7.040 8.009 -2.353 1.00 1.00 C ATOM 1075 O LYS A 72 -7.020 8.785 -3.288 1.00 1.00 O ATOM 1076 CB LYS A 72 -8.022 5.727 -2.594 1.00 1.00 C ATOM 1077 CG LYS A 72 -8.104 4.962 -3.916 1.00 1.00 C ATOM 1078 CD LYS A 72 -9.322 4.036 -3.895 1.00 1.00 C ATOM 1079 CE LYS A 72 -10.531 4.774 -4.471 1.00 1.00 C ATOM 1080 NZ LYS A 72 -11.382 5.276 -3.356 1.00 1.00 N ATOM 0 H LYS A 72 -6.128 5.123 -1.053 1.00 1.00 H new ATOM 0 HA LYS A 72 -6.171 6.384 -3.475 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -8.067 5.031 -1.756 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -8.875 6.398 -2.497 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -8.180 5.661 -4.749 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -7.195 4.381 -4.069 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -9.119 3.137 -4.477 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -9.531 3.714 -2.875 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -10.201 5.605 -5.094 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -11.108 4.106 -5.111 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -11.801 6.190 -3.623 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -12.140 4.591 -3.162 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -10.800 5.398 -2.503 1.00 1.00 H new ATOM 1094 N GLN A 73 -7.330 8.409 -1.144 1.00 1.00 N ATOM 1095 CA GLN A 73 -7.645 9.839 -0.889 1.00 1.00 C ATOM 1096 C GLN A 73 -6.352 10.608 -0.596 1.00 1.00 C ATOM 1097 O GLN A 73 -6.240 11.783 -0.887 1.00 1.00 O ATOM 1098 CB GLN A 73 -8.588 9.945 0.312 1.00 1.00 C ATOM 1099 CG GLN A 73 -10.032 9.773 -0.158 1.00 1.00 C ATOM 1100 CD GLN A 73 -10.850 11.003 0.239 1.00 1.00 C ATOM 1101 OE1 GLN A 73 -11.516 11.597 -0.586 1.00 1.00 O ATOM 1102 NE2 GLN A 73 -10.826 11.415 1.478 1.00 1.00 N ATOM 0 H GLN A 73 -7.362 7.805 -0.323 1.00 1.00 H new ATOM 0 HA GLN A 73 -8.126 10.267 -1.769 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -8.341 9.182 1.050 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -8.466 10.912 0.800 1.00 1.00 H new ATOM 0 HG2 GLN A 73 -10.060 9.639 -1.239 1.00 1.00 H new ATOM 0 HG3 GLN A 73 -10.465 8.877 0.286 1.00 1.00 H new ATOM 0 HE21 GLN A 73 -10.267 10.917 2.170 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -11.366 12.235 1.753 1.00 1.00 H new ATOM 1111 N TRP A 74 -5.373 9.955 -0.025 1.00 1.00 N ATOM 1112 CA TRP A 74 -4.090 10.649 0.284 1.00 1.00 C ATOM 1113 C TRP A 74 -3.523 11.264 -0.980 1.00 1.00 C ATOM 1114 O TRP A 74 -2.970 12.333 -0.962 1.00 1.00 O ATOM 1115 CB TRP A 74 -3.077 9.648 0.813 1.00 1.00 C ATOM 1116 CG TRP A 74 -1.924 10.399 1.397 1.00 1.00 C ATOM 1117 CD1 TRP A 74 -1.922 11.001 2.607 1.00 1.00 C ATOM 1118 CD2 TRP A 74 -0.617 10.655 0.808 1.00 1.00 C ATOM 1119 NE1 TRP A 74 -0.692 11.603 2.804 1.00 1.00 N ATOM 1120 CE2 TRP A 74 0.146 11.419 1.722 1.00 1.00 C ATOM 1121 CE3 TRP A 74 -0.025 10.301 -0.417 1.00 1.00 C ATOM 1122 CZ2 TRP A 74 1.453 11.818 1.430 1.00 1.00 C ATOM 1123 CZ3 TRP A 74 1.289 10.701 -0.715 1.00 1.00 C ATOM 1124 CH2 TRP A 74 2.026 11.459 0.205 1.00 1.00 C ATOM 0 H TRP A 74 -5.408 8.971 0.240 1.00 1.00 H new ATOM 0 HA TRP A 74 -4.284 11.421 1.029 1.00 1.00 H new ATOM 0 HB2 TRP A 74 -3.535 9.010 1.569 1.00 1.00 H new ATOM 0 HB3 TRP A 74 -2.735 8.995 0.010 1.00 1.00 H new ATOM 0 HD1 TRP A 74 -2.746 11.011 3.306 1.00 1.00 H new ATOM 0 HE1 TRP A 74 -0.436 12.119 3.645 1.00 1.00 H new ATOM 0 HE3 TRP A 74 -0.584 9.718 -1.134 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 2.017 12.399 2.145 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 1.734 10.422 -1.659 1.00 1.00 H new ATOM 0 HH2 TRP A 74 3.034 11.765 -0.031 1.00 1.00 H new ATOM 1135 N ARG A 75 -3.627 10.574 -2.066 1.00 1.00 N ATOM 1136 CA ARG A 75 -3.086 11.082 -3.335 1.00 1.00 C ATOM 1137 C ARG A 75 -3.990 12.194 -3.882 1.00 1.00 C ATOM 1138 O ARG A 75 -3.541 13.279 -4.167 1.00 1.00 O ATOM 1139 CB ARG A 75 -3.041 9.912 -4.321 1.00 1.00 C ATOM 1140 CG ARG A 75 -2.448 8.665 -3.652 1.00 1.00 C ATOM 1141 CD ARG A 75 -0.925 8.684 -3.787 1.00 1.00 C ATOM 1142 NE ARG A 75 -0.535 8.419 -5.195 1.00 1.00 N ATOM 1143 CZ ARG A 75 0.732 8.273 -5.503 1.00 1.00 C ATOM 1144 NH1 ARG A 75 1.641 8.296 -4.567 1.00 1.00 N ATOM 1145 NH2 ARG A 75 1.090 8.116 -6.748 1.00 1.00 N ATOM 0 H ARG A 75 -4.074 9.659 -2.127 1.00 1.00 H new ATOM 0 HA ARG A 75 -2.089 11.496 -3.187 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -4.046 9.695 -4.682 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -2.442 10.185 -5.190 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -2.729 8.636 -2.599 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -2.853 7.765 -4.115 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -0.536 9.651 -3.469 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -0.484 7.933 -3.132 1.00 1.00 H new ATOM 0 HE ARG A 75 -1.249 8.351 -5.920 1.00 1.00 H new ATOM 0 HH11 ARG A 75 1.367 8.428 -3.593 1.00 1.00 H new ATOM 0 HH12 ARG A 75 2.625 8.182 -4.809 1.00 1.00 H new ATOM 0 HH21 ARG A 75 0.384 8.107 -7.484 1.00 1.00 H new ATOM 0 HH22 ARG A 75 2.076 8.003 -6.985 1.00 1.00 H new ATOM 1159 N ALA A 76 -5.260 11.950 -4.029 1.00 1.00 N ATOM 1160 CA ALA A 76 -6.144 13.018 -4.564 1.00 1.00 C ATOM 1161 C ALA A 76 -6.013 14.250 -3.679 1.00 1.00 C ATOM 1162 O ALA A 76 -6.315 15.358 -4.079 1.00 1.00 O ATOM 1163 CB ALA A 76 -7.596 12.538 -4.568 1.00 1.00 C ATOM 0 H ALA A 76 -5.720 11.068 -3.805 1.00 1.00 H new ATOM 0 HA ALA A 76 -5.852 13.261 -5.586 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -8.239 13.326 -4.961 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -7.684 11.651 -5.195 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -7.902 12.295 -3.550 1.00 1.00 H new ATOM 1169 N ALA A 77 -5.555 14.060 -2.481 1.00 1.00 N ATOM 1170 CA ALA A 77 -5.387 15.206 -1.557 1.00 1.00 C ATOM 1171 C ALA A 77 -4.036 15.853 -1.808 1.00 1.00 C ATOM 1172 O ALA A 77 -3.918 17.037 -2.057 1.00 1.00 O ATOM 1173 CB ALA A 77 -5.402 14.702 -0.126 1.00 1.00 C ATOM 0 H ALA A 77 -5.288 13.153 -2.099 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.193 15.921 -1.719 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -5.279 15.542 0.557 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -6.352 14.207 0.075 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -4.586 13.994 0.019 1.00 1.00 H new ATOM 1179 N ASN A 78 -3.017 15.055 -1.743 1.00 1.00 N ATOM 1180 CA ASN A 78 -1.650 15.526 -1.963 1.00 1.00 C ATOM 1181 C ASN A 78 -1.402 15.648 -3.462 1.00 1.00 C ATOM 1182 O ASN A 78 -0.292 15.869 -3.903 1.00 1.00 O ATOM 1183 CB ASN A 78 -0.719 14.493 -1.347 1.00 1.00 C ATOM 1184 CG ASN A 78 -0.668 14.702 0.162 1.00 1.00 C ATOM 1185 OD1 ASN A 78 0.244 15.321 0.676 1.00 1.00 O ATOM 1186 ND2 ASN A 78 -1.621 14.202 0.900 1.00 1.00 N ATOM 0 H ASN A 78 -3.089 14.058 -1.538 1.00 1.00 H new ATOM 0 HA ASN A 78 -1.481 16.502 -1.509 1.00 1.00 H new ATOM 0 HB2 ASN A 78 -1.071 13.487 -1.575 1.00 1.00 H new ATOM 0 HB3 ASN A 78 0.280 14.586 -1.773 1.00 1.00 H new ATOM 0 HD21 ASN A 78 -1.603 14.330 1.912 1.00 1.00 H new ATOM 0 HD22 ASN A 78 -2.384 13.684 0.465 1.00 1.00 H new ATOM 1193 N GLY A 79 -2.431 15.499 -4.250 1.00 1.00 N ATOM 1194 CA GLY A 79 -2.247 15.602 -5.722 1.00 1.00 C ATOM 1195 C GLY A 79 -1.081 14.706 -6.127 1.00 1.00 C ATOM 1196 O GLY A 79 -0.146 15.134 -6.772 1.00 1.00 O ATOM 0 H GLY A 79 -3.384 15.312 -3.940 1.00 1.00 H new ATOM 0 HA2 GLY A 79 -3.157 15.297 -6.240 1.00 1.00 H new ATOM 0 HA3 GLY A 79 -2.048 16.635 -6.008 1.00 1.00 H new ATOM 1200 N LYS A 80 -1.130 13.463 -5.740 1.00 1.00 N ATOM 1201 CA LYS A 80 -0.026 12.531 -6.087 1.00 1.00 C ATOM 1202 C LYS A 80 -0.206 12.059 -7.535 1.00 1.00 C ATOM 1203 O LYS A 80 -0.921 12.665 -8.307 1.00 1.00 O ATOM 1204 CB LYS A 80 -0.042 11.333 -5.132 1.00 1.00 C ATOM 1205 CG LYS A 80 0.933 11.572 -3.978 1.00 1.00 C ATOM 1206 CD LYS A 80 2.338 11.834 -4.523 1.00 1.00 C ATOM 1207 CE LYS A 80 2.878 13.135 -3.927 1.00 1.00 C ATOM 1208 NZ LYS A 80 3.302 14.048 -5.025 1.00 1.00 N ATOM 0 H LYS A 80 -1.890 13.052 -5.197 1.00 1.00 H new ATOM 0 HA LYS A 80 0.933 13.040 -5.991 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -1.049 11.181 -4.743 1.00 1.00 H new ATOM 0 HB3 LYS A 80 0.233 10.425 -5.669 1.00 1.00 H new ATOM 0 HG2 LYS A 80 0.601 12.422 -3.382 1.00 1.00 H new ATOM 0 HG3 LYS A 80 0.946 10.705 -3.317 1.00 1.00 H new ATOM 0 HD2 LYS A 80 2.998 11.004 -4.272 1.00 1.00 H new ATOM 0 HD3 LYS A 80 2.312 11.902 -5.611 1.00 1.00 H new ATOM 0 HE2 LYS A 80 2.111 13.614 -3.318 1.00 1.00 H new ATOM 0 HE3 LYS A 80 3.721 12.923 -3.270 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 3.921 14.790 -4.640 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 3.819 13.506 -5.747 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 2.463 14.486 -5.456 1.00 1.00 H new ATOM 1222 N SER A 81 0.441 10.992 -7.914 1.00 1.00 N ATOM 1223 CA SER A 81 0.311 10.497 -9.315 1.00 1.00 C ATOM 1224 C SER A 81 -0.970 9.669 -9.473 1.00 1.00 C ATOM 1225 O SER A 81 -1.489 9.523 -10.562 1.00 1.00 O ATOM 1226 CB SER A 81 1.522 9.630 -9.662 1.00 1.00 C ATOM 1227 OG SER A 81 1.594 9.467 -11.072 1.00 1.00 O ATOM 0 H SER A 81 1.055 10.440 -7.314 1.00 1.00 H new ATOM 0 HA SER A 81 0.263 11.353 -9.988 1.00 1.00 H new ATOM 0 HB2 SER A 81 2.435 10.095 -9.291 1.00 1.00 H new ATOM 0 HB3 SER A 81 1.439 8.658 -9.176 1.00 1.00 H new ATOM 0 HG SER A 81 2.503 9.203 -11.325 1.00 1.00 H new ATOM 1233 N GLY A 82 -1.484 9.126 -8.404 1.00 1.00 N ATOM 1234 CA GLY A 82 -2.729 8.308 -8.514 1.00 1.00 C ATOM 1235 C GLY A 82 -2.379 6.903 -9.007 1.00 1.00 C ATOM 1236 O GLY A 82 -1.233 6.595 -9.266 1.00 1.00 O ATOM 0 H GLY A 82 -1.100 9.211 -7.463 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -3.225 8.251 -7.545 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -3.428 8.782 -9.203 1.00 1.00 H new ATOM 1240 N PHE A 83 -3.355 6.044 -9.131 1.00 1.00 N ATOM 1241 CA PHE A 83 -3.102 4.680 -9.586 1.00 1.00 C ATOM 1242 C PHE A 83 -3.014 4.653 -11.110 1.00 1.00 C ATOM 1243 O PHE A 83 -3.242 5.639 -11.783 1.00 1.00 O ATOM 1244 CB PHE A 83 -4.278 3.833 -9.129 1.00 1.00 C ATOM 1245 CG PHE A 83 -4.336 3.815 -7.620 1.00 1.00 C ATOM 1246 CD1 PHE A 83 -3.558 2.900 -6.899 1.00 1.00 C ATOM 1247 CD2 PHE A 83 -5.171 4.711 -6.941 1.00 1.00 C ATOM 1248 CE1 PHE A 83 -3.617 2.884 -5.500 1.00 1.00 C ATOM 1249 CE2 PHE A 83 -5.229 4.694 -5.544 1.00 1.00 C ATOM 1250 CZ PHE A 83 -4.451 3.780 -4.822 1.00 1.00 C ATOM 0 H PHE A 83 -4.333 6.252 -8.927 1.00 1.00 H new ATOM 0 HA PHE A 83 -2.164 4.301 -9.179 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -5.207 4.235 -9.534 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -4.177 2.817 -9.511 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -2.914 2.208 -7.421 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -5.771 5.416 -7.497 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -3.018 2.179 -4.943 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -5.874 5.386 -5.022 1.00 1.00 H new ATOM 0 HZ PHE A 83 -4.495 3.767 -3.743 1.00 1.00 H new ATOM 1260 N LYS A 84 -2.683 3.522 -11.643 1.00 1.00 N ATOM 1261 CA LYS A 84 -2.569 3.377 -13.119 1.00 1.00 C ATOM 1262 C LYS A 84 -3.910 3.699 -13.779 1.00 1.00 C ATOM 1263 O LYS A 84 -4.925 3.851 -13.126 1.00 1.00 O ATOM 1264 CB LYS A 84 -2.138 1.937 -13.445 1.00 1.00 C ATOM 1265 CG LYS A 84 -2.639 1.495 -14.826 1.00 1.00 C ATOM 1266 CD LYS A 84 -2.292 0.021 -15.048 1.00 1.00 C ATOM 1267 CE LYS A 84 -1.667 -0.151 -16.436 1.00 1.00 C ATOM 1268 NZ LYS A 84 -0.285 0.409 -16.431 1.00 1.00 N ATOM 0 H LYS A 84 -2.482 2.674 -11.114 1.00 1.00 H new ATOM 0 HA LYS A 84 -1.824 4.072 -13.505 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -1.051 1.866 -13.412 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -2.525 1.260 -12.683 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -3.717 1.640 -14.897 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -2.183 2.108 -15.603 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -1.598 -0.320 -14.280 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -3.189 -0.592 -14.962 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -1.642 -1.206 -16.707 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -2.274 0.357 -17.186 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 0.239 0.048 -17.254 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -0.331 1.447 -16.478 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 0.202 0.123 -15.558 1.00 1.00 H new ATOM 1282 N GLN A 85 -3.907 3.799 -15.073 1.00 1.00 N ATOM 1283 CA GLN A 85 -5.166 4.109 -15.810 1.00 1.00 C ATOM 1284 C GLN A 85 -6.093 2.892 -15.785 1.00 1.00 C ATOM 1285 O GLN A 85 -5.765 1.861 -15.231 1.00 1.00 O ATOM 1286 CB GLN A 85 -4.829 4.459 -17.262 1.00 1.00 C ATOM 1287 CG GLN A 85 -5.623 5.695 -17.685 1.00 1.00 C ATOM 1288 CD GLN A 85 -4.888 6.957 -17.235 1.00 1.00 C ATOM 1289 OE1 GLN A 85 -3.677 6.962 -17.124 1.00 1.00 O ATOM 1290 NE2 GLN A 85 -5.572 8.036 -16.967 1.00 1.00 N ATOM 0 H GLN A 85 -3.082 3.679 -15.661 1.00 1.00 H new ATOM 0 HA GLN A 85 -5.665 4.953 -15.333 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -3.760 4.648 -17.363 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -5.068 3.619 -17.915 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -5.752 5.704 -18.767 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -6.620 5.667 -17.246 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -6.588 8.032 -17.060 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -5.091 8.883 -16.665 1.00 1.00 H new ATOM 1299 N GLY A 86 -7.268 3.051 -16.414 1.00 1.00 N ATOM 1300 CA GLY A 86 -8.241 1.978 -16.469 1.00 0.00 C ATOM 1301 C GLY A 86 -9.610 2.484 -16.038 1.00 0.00 C ATOM 1302 O GLY A 86 -10.576 1.726 -16.015 1.00 0.00 O ATOM 0 H GLY A 86 -7.555 3.909 -16.884 1.00 1.00 H new ATOM 0 HA2 GLY A 86 -8.296 1.579 -17.482 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.927 1.160 -15.821 1.00 0.00 H new TER 1306 GLY A 86