USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 392 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 34 GLN : amide:sc= -9.73! C(o=-11!,f=-8.4!) USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= -1.48! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= -0.0139 USER MOD Single : A 13 SER OG : rot -48:sc= -1.04 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -11.8! C(o=-12!,f=-7.3!) USER MOD Single : A 17 MET CE :methyl -134:sc= -4.82! (180deg=-9.93!) USER MOD Single : A 19 SER OG : rot 37:sc= 0.177! USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0526 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -4.51! C(o=-4.5!,f=-4.7!) USER MOD Single : A 46 THR OG1 : rot 87:sc= 0.313 USER MOD Single : A 48 GLN : amide:sc= -4.69 K(o=-4.7,f=-0.71) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 61:sc= 0.977 USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= -0.0915 (180deg=-0.552) USER MOD Single : A 52 HIS : no HD1:sc= -0.17 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.868 -16.022 6.357 1.00 0.00 N ATOM 2 CA GLY A 1 28.667 -16.102 4.884 1.00 0.00 C ATOM 3 C GLY A 1 28.685 -14.740 4.221 1.00 0.00 C ATOM 4 O GLY A 1 27.656 -14.068 4.141 1.00 0.00 O ATOM 0 H1 GLY A 1 28.847 -16.979 6.763 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.788 -15.580 6.558 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.109 -15.450 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.447 -16.725 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.715 -16.591 4.676 1.00 0.00 H new ATOM 10 N SER A 2 29.856 -14.329 3.744 1.00 0.00 N ATOM 11 CA SER A 2 30.002 -13.036 3.084 1.00 0.00 C ATOM 12 C SER A 2 30.097 -13.202 1.570 1.00 0.00 C ATOM 13 O SER A 2 31.074 -13.747 1.054 1.00 0.00 O ATOM 14 CB SER A 2 31.243 -12.309 3.608 1.00 0.00 C ATOM 15 OG SER A 2 31.138 -12.054 4.997 1.00 0.00 O ATOM 0 H SER A 2 30.717 -14.872 3.802 1.00 0.00 H new ATOM 0 HA SER A 2 29.117 -12.441 3.310 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.130 -12.911 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.371 -11.369 3.071 1.00 0.00 H new ATOM 0 HG SER A 2 32.001 -11.738 5.338 1.00 0.00 H new ATOM 21 N PRO A 3 29.076 -12.734 0.839 1.00 0.00 N ATOM 22 CA PRO A 3 29.030 -12.825 -0.613 1.00 0.00 C ATOM 23 C PRO A 3 29.664 -11.615 -1.295 1.00 0.00 C ATOM 24 O PRO A 3 29.720 -10.526 -0.725 1.00 0.00 O ATOM 25 CB PRO A 3 27.530 -12.879 -0.894 1.00 0.00 C ATOM 26 CG PRO A 3 26.884 -12.132 0.233 1.00 0.00 C ATOM 27 CD PRO A 3 27.875 -12.079 1.376 1.00 0.00 C ATOM 0 HA PRO A 3 29.588 -13.680 -0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 3 27.294 -12.421 -1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 3 27.176 -13.909 -0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 3 26.610 -11.125 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 3 25.966 -12.629 0.545 1.00 0.00 H new ATOM 0 HD2 PRO A 3 28.082 -11.052 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 3 27.497 -12.599 2.256 1.00 0.00 H new ATOM 35 N PRO A 4 30.158 -11.799 -2.530 1.00 0.00 N ATOM 36 CA PRO A 4 30.801 -10.727 -3.300 1.00 0.00 C ATOM 37 C PRO A 4 29.847 -9.579 -3.609 1.00 0.00 C ATOM 38 O PRO A 4 29.572 -9.285 -4.773 1.00 0.00 O ATOM 39 CB PRO A 4 31.239 -11.419 -4.597 1.00 0.00 C ATOM 40 CG PRO A 4 31.226 -12.877 -4.283 1.00 0.00 C ATOM 41 CD PRO A 4 30.136 -13.068 -3.271 1.00 0.00 C ATOM 0 HA PRO A 4 31.624 -10.274 -2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 4 30.559 -11.186 -5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 4 32.232 -11.090 -4.903 1.00 0.00 H new ATOM 0 HG2 PRO A 4 31.036 -13.468 -5.179 1.00 0.00 H new ATOM 0 HG3 PRO A 4 32.189 -13.200 -3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 4 29.170 -13.244 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 4 30.332 -13.920 -2.620 1.00 0.00 H new ATOM 49 N GLU A 5 29.348 -8.931 -2.563 1.00 0.00 N ATOM 50 CA GLU A 5 28.429 -7.813 -2.737 1.00 0.00 C ATOM 51 C GLU A 5 28.050 -7.179 -1.403 1.00 0.00 C ATOM 52 O GLU A 5 26.919 -7.324 -0.938 1.00 0.00 O ATOM 53 CB GLU A 5 27.167 -8.270 -3.471 1.00 0.00 C ATOM 54 CG GLU A 5 26.496 -7.164 -4.269 1.00 0.00 C ATOM 55 CD GLU A 5 26.129 -7.598 -5.674 1.00 0.00 C ATOM 56 OE1 GLU A 5 27.030 -8.053 -6.410 1.00 0.00 O ATOM 57 OE2 GLU A 5 24.939 -7.483 -6.038 1.00 0.00 O ATOM 0 H GLU A 5 29.562 -9.158 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 5 28.943 -7.059 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 5 27.424 -9.088 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 5 26.457 -8.665 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 5 25.596 -6.839 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 5 27.163 -6.303 -4.321 1.00 0.00 H new ATOM 64 N ALA A 6 29.005 -6.471 -0.798 1.00 0.00 N ATOM 65 CA ALA A 6 28.782 -5.800 0.478 1.00 0.00 C ATOM 66 C ALA A 6 29.201 -6.678 1.645 1.00 0.00 C ATOM 67 O ALA A 6 28.419 -6.934 2.561 1.00 0.00 O ATOM 68 CB ALA A 6 27.331 -5.372 0.627 1.00 0.00 C ATOM 0 H ALA A 6 29.944 -6.349 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 6 29.404 -4.905 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 6 27.195 -4.875 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 6 27.070 -4.685 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 6 26.686 -6.249 0.578 1.00 0.00 H new ATOM 74 N ASP A 7 30.451 -7.111 1.615 1.00 0.00 N ATOM 75 CA ASP A 7 31.005 -7.931 2.676 1.00 0.00 C ATOM 76 C ASP A 7 31.646 -7.018 3.703 1.00 0.00 C ATOM 77 O ASP A 7 32.057 -5.910 3.360 1.00 0.00 O ATOM 78 CB ASP A 7 32.041 -8.907 2.114 1.00 0.00 C ATOM 79 CG ASP A 7 31.555 -9.612 0.862 1.00 0.00 C ATOM 80 OD1 ASP A 7 31.346 -8.928 -0.162 1.00 0.00 O ATOM 81 OD2 ASP A 7 31.385 -10.849 0.904 1.00 0.00 O ATOM 0 H ASP A 7 31.105 -6.905 0.860 1.00 0.00 H new ATOM 0 HA ASP A 7 30.212 -8.516 3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.960 -8.366 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.286 -9.650 2.874 1.00 0.00 H new ATOM 86 N PRO A 8 31.749 -7.451 4.971 1.00 0.00 N ATOM 87 CA PRO A 8 32.356 -6.644 6.014 1.00 0.00 C ATOM 88 C PRO A 8 33.429 -5.729 5.440 1.00 0.00 C ATOM 89 O PRO A 8 33.345 -4.507 5.542 1.00 0.00 O ATOM 90 CB PRO A 8 32.952 -7.706 6.931 1.00 0.00 C ATOM 91 CG PRO A 8 32.018 -8.874 6.819 1.00 0.00 C ATOM 92 CD PRO A 8 31.307 -8.756 5.485 1.00 0.00 C ATOM 0 HA PRO A 8 31.660 -5.975 6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.962 -7.975 6.621 1.00 0.00 H new ATOM 0 HB3 PRO A 8 33.019 -7.349 7.959 1.00 0.00 H new ATOM 0 HG2 PRO A 8 32.568 -9.813 6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 8 31.300 -8.872 7.639 1.00 0.00 H new ATOM 0 HD2 PRO A 8 31.583 -9.567 4.811 1.00 0.00 H new ATOM 0 HD3 PRO A 8 30.224 -8.794 5.603 1.00 0.00 H new ATOM 100 N ARG A 9 34.431 -6.336 4.827 1.00 0.00 N ATOM 101 CA ARG A 9 35.529 -5.599 4.218 1.00 0.00 C ATOM 102 C ARG A 9 35.034 -4.508 3.264 1.00 0.00 C ATOM 103 O ARG A 9 35.142 -3.320 3.551 1.00 0.00 O ATOM 104 CB ARG A 9 36.401 -6.579 3.436 1.00 0.00 C ATOM 105 CG ARG A 9 37.003 -7.684 4.290 1.00 0.00 C ATOM 106 CD ARG A 9 37.256 -7.222 5.717 1.00 0.00 C ATOM 107 NE ARG A 9 38.152 -8.127 6.432 1.00 0.00 N ATOM 108 CZ ARG A 9 38.790 -7.800 7.551 1.00 0.00 C ATOM 109 NH1 ARG A 9 38.631 -6.596 8.081 1.00 0.00 N ATOM 110 NH2 ARG A 9 39.589 -8.678 8.143 1.00 0.00 N ATOM 0 H ARG A 9 34.508 -7.349 4.737 1.00 0.00 H new ATOM 0 HA ARG A 9 36.092 -5.114 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 9 35.803 -7.030 2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.207 -6.027 2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.331 -8.542 4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.940 -8.018 3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 9 37.687 -6.221 5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 9 36.308 -7.154 6.250 1.00 0.00 H new ATOM 0 HE ARG A 9 38.296 -9.062 6.051 1.00 0.00 H new ATOM 0 HH11 ARG A 9 38.018 -5.917 7.630 1.00 0.00 H new ATOM 0 HH12 ARG A 9 39.122 -6.348 8.940 1.00 0.00 H new ATOM 0 HH21 ARG A 9 39.715 -9.606 7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 9 40.078 -8.425 9.002 1.00 0.00 H new ATOM 124 N LEU A 10 34.525 -4.937 2.116 1.00 0.00 N ATOM 125 CA LEU A 10 34.047 -4.026 1.089 1.00 0.00 C ATOM 126 C LEU A 10 32.939 -3.119 1.617 1.00 0.00 C ATOM 127 O LEU A 10 32.813 -1.966 1.207 1.00 0.00 O ATOM 128 CB LEU A 10 33.582 -4.817 -0.133 1.00 0.00 C ATOM 129 CG LEU A 10 34.714 -5.481 -0.927 1.00 0.00 C ATOM 130 CD1 LEU A 10 35.233 -4.543 -2.004 1.00 0.00 C ATOM 131 CD2 LEU A 10 35.853 -5.892 -0.002 1.00 0.00 C ATOM 0 H LEU A 10 34.433 -5.923 1.873 1.00 0.00 H new ATOM 0 HA LEU A 10 34.872 -3.379 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.883 -5.587 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 10 33.033 -4.148 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 10 34.312 -6.375 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 10 36.035 -5.032 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 10 34.423 -4.291 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 10 35.614 -3.633 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 10 36.645 -6.361 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 10 36.248 -5.010 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 10 35.482 -6.599 0.740 1.00 0.00 H new ATOM 143 N ILE A 11 32.159 -3.617 2.556 1.00 0.00 N ATOM 144 CA ILE A 11 31.109 -2.801 3.138 1.00 0.00 C ATOM 145 C ILE A 11 31.707 -1.900 4.216 1.00 0.00 C ATOM 146 O ILE A 11 31.116 -0.898 4.616 1.00 0.00 O ATOM 147 CB ILE A 11 29.963 -3.658 3.721 1.00 0.00 C ATOM 148 CG1 ILE A 11 28.640 -2.898 3.643 1.00 0.00 C ATOM 149 CG2 ILE A 11 30.255 -4.066 5.159 1.00 0.00 C ATOM 150 CD1 ILE A 11 27.521 -3.553 4.421 1.00 0.00 C ATOM 0 H ILE A 11 32.228 -4.564 2.928 1.00 0.00 H new ATOM 0 HA ILE A 11 30.676 -2.190 2.346 1.00 0.00 H new ATOM 0 HB ILE A 11 29.885 -4.566 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 11 28.789 -1.886 4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 11 28.342 -2.809 2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 11 29.430 -4.668 5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 11 31.175 -4.649 5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 11 30.368 -3.174 5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 11 26.612 -2.959 4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 11 27.345 -4.555 4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 11 27.798 -3.617 5.473 1.00 0.00 H new ATOM 162 N GLU A 12 32.906 -2.270 4.656 1.00 0.00 N ATOM 163 CA GLU A 12 33.632 -1.508 5.663 1.00 0.00 C ATOM 164 C GLU A 12 34.628 -0.548 5.018 1.00 0.00 C ATOM 165 O GLU A 12 34.542 0.668 5.193 1.00 0.00 O ATOM 166 CB GLU A 12 34.369 -2.445 6.621 1.00 0.00 C ATOM 167 CG GLU A 12 35.347 -1.727 7.536 1.00 0.00 C ATOM 168 CD GLU A 12 36.135 -2.682 8.412 1.00 0.00 C ATOM 169 OE1 GLU A 12 36.221 -3.877 8.060 1.00 0.00 O ATOM 170 OE2 GLU A 12 36.665 -2.235 9.451 1.00 0.00 O ATOM 0 H GLU A 12 33.398 -3.101 4.326 1.00 0.00 H new ATOM 0 HA GLU A 12 32.901 -0.925 6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 12 33.638 -2.978 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 12 34.908 -3.194 6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 12 36.038 -1.139 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 12 34.801 -1.027 8.168 1.00 0.00 H new ATOM 177 N SER A 13 35.599 -1.114 4.305 1.00 0.00 N ATOM 178 CA SER A 13 36.652 -0.333 3.667 1.00 0.00 C ATOM 179 C SER A 13 36.317 0.109 2.239 1.00 0.00 C ATOM 180 O SER A 13 36.728 1.191 1.832 1.00 0.00 O ATOM 181 CB SER A 13 37.954 -1.132 3.660 1.00 0.00 C ATOM 182 OG SER A 13 37.899 -2.189 2.717 1.00 0.00 O ATOM 0 H SER A 13 35.677 -2.120 4.155 1.00 0.00 H new ATOM 0 HA SER A 13 36.757 0.577 4.257 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.788 -0.472 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.141 -1.537 4.654 1.00 0.00 H new ATOM 0 HG SER A 13 37.062 -2.686 2.831 1.00 0.00 H new ATOM 188 N LEU A 14 35.589 -0.702 1.465 1.00 0.00 N ATOM 189 CA LEU A 14 35.270 -0.299 0.092 1.00 0.00 C ATOM 190 C LEU A 14 34.202 0.772 0.101 1.00 0.00 C ATOM 191 O LEU A 14 34.488 1.940 -0.167 1.00 0.00 O ATOM 192 CB LEU A 14 34.830 -1.479 -0.780 1.00 0.00 C ATOM 193 CG LEU A 14 34.119 -1.084 -2.077 1.00 0.00 C ATOM 194 CD1 LEU A 14 34.789 -1.736 -3.276 1.00 0.00 C ATOM 195 CD2 LEU A 14 32.646 -1.464 -2.016 1.00 0.00 C ATOM 0 H LEU A 14 35.221 -1.609 1.751 1.00 0.00 H new ATOM 0 HA LEU A 14 36.185 0.098 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.707 -2.076 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 14 34.166 -2.117 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 14 34.191 -0.002 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 14 34.269 -1.443 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 14 35.829 -1.413 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.751 -2.820 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 14 32.157 -1.176 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 14 32.554 -2.541 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 14 32.171 -0.948 -1.182 1.00 0.00 H new ATOM 207 N SER A 15 32.974 0.386 0.429 1.00 0.00 N ATOM 208 CA SER A 15 31.883 1.353 0.490 1.00 0.00 C ATOM 209 C SER A 15 32.405 2.633 1.126 1.00 0.00 C ATOM 210 O SER A 15 32.466 3.679 0.490 1.00 0.00 O ATOM 211 CB SER A 15 30.711 0.795 1.301 1.00 0.00 C ATOM 212 OG SER A 15 29.759 1.807 1.579 1.00 0.00 O ATOM 0 H SER A 15 32.711 -0.574 0.654 1.00 0.00 H new ATOM 0 HA SER A 15 31.522 1.560 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 15 30.235 -0.015 0.749 1.00 0.00 H new ATOM 0 HB3 SER A 15 31.080 0.371 2.235 1.00 0.00 H new ATOM 0 HG SER A 15 29.019 1.427 2.096 1.00 0.00 H new ATOM 218 N GLN A 16 32.786 2.524 2.388 1.00 0.00 N ATOM 219 CA GLN A 16 33.324 3.654 3.127 1.00 0.00 C ATOM 220 C GLN A 16 34.212 4.509 2.223 1.00 0.00 C ATOM 221 O GLN A 16 34.216 5.736 2.325 1.00 0.00 O ATOM 222 CB GLN A 16 34.123 3.149 4.335 1.00 0.00 C ATOM 223 CG GLN A 16 34.883 4.236 5.086 1.00 0.00 C ATOM 224 CD GLN A 16 36.032 4.841 4.290 1.00 0.00 C ATOM 225 OE1 GLN A 16 36.402 5.995 4.506 1.00 0.00 O ATOM 226 NE2 GLN A 16 36.602 4.071 3.368 1.00 0.00 N ATOM 0 H GLN A 16 32.732 1.658 2.925 1.00 0.00 H new ATOM 0 HA GLN A 16 32.498 4.272 3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 16 33.440 2.656 5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 16 34.833 2.394 3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 16 34.187 5.028 5.363 1.00 0.00 H new ATOM 0 HG3 GLN A 16 35.275 3.818 6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 16 36.266 3.119 3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 16 37.375 4.432 2.809 1.00 0.00 H new ATOM 235 N MET A 17 34.971 3.854 1.345 1.00 0.00 N ATOM 236 CA MET A 17 35.869 4.558 0.434 1.00 0.00 C ATOM 237 C MET A 17 35.110 5.205 -0.718 1.00 0.00 C ATOM 238 O MET A 17 35.567 6.195 -1.287 1.00 0.00 O ATOM 239 CB MET A 17 36.928 3.605 -0.125 1.00 0.00 C ATOM 240 CG MET A 17 38.344 4.157 -0.056 1.00 0.00 C ATOM 241 SD MET A 17 39.358 3.310 1.170 1.00 0.00 S ATOM 242 CE MET A 17 39.349 1.642 0.519 1.00 0.00 C ATOM 0 H MET A 17 34.981 2.839 1.246 1.00 0.00 H new ATOM 0 HA MET A 17 36.356 5.345 1.009 1.00 0.00 H new ATOM 0 HB2 MET A 17 36.886 2.666 0.426 1.00 0.00 H new ATOM 0 HB3 MET A 17 36.687 3.376 -1.163 1.00 0.00 H new ATOM 0 HG2 MET A 17 38.813 4.067 -1.036 1.00 0.00 H new ATOM 0 HG3 MET A 17 38.305 5.220 0.182 1.00 0.00 H new ATOM 0 HE1 MET A 17 39.151 0.937 1.327 1.00 0.00 H new ATOM 0 HE2 MET A 17 38.572 1.552 -0.240 1.00 0.00 H new ATOM 0 HE3 MET A 17 40.319 1.420 0.073 1.00 0.00 H new ATOM 252 N LEU A 18 33.952 4.654 -1.064 1.00 0.00 N ATOM 253 CA LEU A 18 33.150 5.203 -2.153 1.00 0.00 C ATOM 254 C LEU A 18 32.440 6.490 -1.728 1.00 0.00 C ATOM 255 O LEU A 18 32.650 7.549 -2.320 1.00 0.00 O ATOM 256 CB LEU A 18 32.119 4.174 -2.614 1.00 0.00 C ATOM 257 CG LEU A 18 31.242 4.617 -3.785 1.00 0.00 C ATOM 258 CD1 LEU A 18 32.032 5.495 -4.744 1.00 0.00 C ATOM 259 CD2 LEU A 18 30.677 3.407 -4.508 1.00 0.00 C ATOM 0 H LEU A 18 33.549 3.834 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 18 33.823 5.441 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.642 3.260 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.474 3.925 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 18 30.411 5.204 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.390 5.800 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.390 6.379 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.883 4.935 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.055 3.738 -5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.495 2.795 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 18 30.075 2.818 -3.816 1.00 0.00 H new ATOM 271 N SER A 19 31.588 6.387 -0.708 1.00 0.00 N ATOM 272 CA SER A 19 30.831 7.536 -0.211 1.00 0.00 C ATOM 273 C SER A 19 31.732 8.547 0.497 1.00 0.00 C ATOM 274 O SER A 19 31.266 9.590 0.955 1.00 0.00 O ATOM 275 CB SER A 19 29.732 7.067 0.745 1.00 0.00 C ATOM 276 OG SER A 19 29.790 7.769 1.977 1.00 0.00 O ATOM 0 H SER A 19 31.404 5.517 -0.208 1.00 0.00 H new ATOM 0 HA SER A 19 30.383 8.031 -1.073 1.00 0.00 H new ATOM 0 HB2 SER A 19 28.756 7.217 0.283 1.00 0.00 H new ATOM 0 HB3 SER A 19 29.837 5.998 0.927 1.00 0.00 H new ATOM 0 HG SER A 19 30.047 8.700 1.811 1.00 0.00 H new ATOM 282 N MET A 20 33.021 8.239 0.577 1.00 0.00 N ATOM 283 CA MET A 20 33.976 9.130 1.221 1.00 0.00 C ATOM 284 C MET A 20 34.782 9.896 0.179 1.00 0.00 C ATOM 285 O MET A 20 35.850 10.429 0.474 1.00 0.00 O ATOM 286 CB MET A 20 34.917 8.343 2.135 1.00 0.00 C ATOM 287 CG MET A 20 35.944 9.215 2.838 1.00 0.00 C ATOM 288 SD MET A 20 35.255 10.785 3.394 1.00 0.00 S ATOM 289 CE MET A 20 36.730 11.604 3.991 1.00 0.00 C ATOM 0 H MET A 20 33.427 7.381 0.205 1.00 0.00 H new ATOM 0 HA MET A 20 33.417 9.844 1.826 1.00 0.00 H new ATOM 0 HB2 MET A 20 34.327 7.814 2.883 1.00 0.00 H new ATOM 0 HB3 MET A 20 35.436 7.587 1.546 1.00 0.00 H new ATOM 0 HG2 MET A 20 36.348 8.676 3.695 1.00 0.00 H new ATOM 0 HG3 MET A 20 36.777 9.407 2.161 1.00 0.00 H new ATOM 0 HE1 MET A 20 36.469 12.592 4.370 1.00 0.00 H new ATOM 0 HE2 MET A 20 37.175 11.014 4.792 1.00 0.00 H new ATOM 0 HE3 MET A 20 37.445 11.705 3.175 1.00 0.00 H new ATOM 299 N GLY A 21 34.267 9.937 -1.047 1.00 0.00 N ATOM 300 CA GLY A 21 34.961 10.632 -2.113 1.00 0.00 C ATOM 301 C GLY A 21 36.325 10.028 -2.376 1.00 0.00 C ATOM 302 O GLY A 21 37.311 10.743 -2.550 1.00 0.00 O ATOM 0 H GLY A 21 33.385 9.503 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.363 10.593 -3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 21 35.073 11.684 -1.850 1.00 0.00 H new ATOM 306 N PHE A 22 36.372 8.702 -2.394 1.00 0.00 N ATOM 307 CA PHE A 22 37.607 7.990 -2.623 1.00 0.00 C ATOM 308 C PHE A 22 37.374 6.829 -3.563 1.00 0.00 C ATOM 309 O PHE A 22 36.251 6.348 -3.710 1.00 0.00 O ATOM 310 CB PHE A 22 38.184 7.486 -1.300 1.00 0.00 C ATOM 311 CG PHE A 22 38.828 8.558 -0.467 1.00 0.00 C ATOM 312 CD1 PHE A 22 39.447 9.648 -1.060 1.00 0.00 C ATOM 313 CD2 PHE A 22 38.813 8.473 0.916 1.00 0.00 C ATOM 314 CE1 PHE A 22 40.038 10.632 -0.288 1.00 0.00 C ATOM 315 CE2 PHE A 22 39.403 9.453 1.692 1.00 0.00 C ATOM 316 CZ PHE A 22 40.016 10.534 1.089 1.00 0.00 C ATOM 0 H PHE A 22 35.560 8.102 -2.251 1.00 0.00 H new ATOM 0 HA PHE A 22 38.323 8.674 -3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 22 37.386 7.020 -0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 22 38.921 6.710 -1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 22 39.468 9.730 -2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 22 38.334 7.631 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 22 40.516 11.476 -0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 22 39.385 9.374 2.769 1.00 0.00 H new ATOM 0 HZ PHE A 22 40.477 11.301 1.693 1.00 0.00 H new ATOM 326 N SER A 23 38.441 6.371 -4.183 1.00 0.00 N ATOM 327 CA SER A 23 38.358 5.252 -5.090 1.00 0.00 C ATOM 328 C SER A 23 39.688 4.502 -5.075 1.00 0.00 C ATOM 329 O SER A 23 40.250 4.265 -4.007 1.00 0.00 O ATOM 330 CB SER A 23 38.021 5.733 -6.503 1.00 0.00 C ATOM 331 OG SER A 23 36.810 6.468 -6.521 1.00 0.00 O ATOM 0 H SER A 23 39.378 6.760 -4.073 1.00 0.00 H new ATOM 0 HA SER A 23 37.562 4.579 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 23 38.832 6.355 -6.881 1.00 0.00 H new ATOM 0 HB3 SER A 23 37.939 4.876 -7.171 1.00 0.00 H new ATOM 0 HG SER A 23 36.621 6.764 -7.436 1.00 0.00 H new ATOM 337 N ASP A 24 40.209 4.150 -6.247 1.00 0.00 N ATOM 338 CA ASP A 24 41.491 3.461 -6.328 1.00 0.00 C ATOM 339 C ASP A 24 42.474 4.307 -7.132 1.00 0.00 C ATOM 340 O ASP A 24 42.239 4.586 -8.307 1.00 0.00 O ATOM 341 CB ASP A 24 41.324 2.087 -6.981 1.00 0.00 C ATOM 342 CG ASP A 24 40.390 2.122 -8.175 1.00 0.00 C ATOM 343 OD1 ASP A 24 39.843 3.206 -8.470 1.00 0.00 O ATOM 344 OD2 ASP A 24 40.205 1.065 -8.815 1.00 0.00 O ATOM 0 H ASP A 24 39.766 4.330 -7.148 1.00 0.00 H new ATOM 0 HA ASP A 24 41.878 3.316 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 24 42.299 1.718 -7.297 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.940 1.382 -6.244 1.00 0.00 H new ATOM 349 N GLU A 25 43.570 4.722 -6.502 1.00 0.00 N ATOM 350 CA GLU A 25 44.562 5.544 -7.188 1.00 0.00 C ATOM 351 C GLU A 25 44.853 4.980 -8.564 1.00 0.00 C ATOM 352 O GLU A 25 44.474 5.551 -9.586 1.00 0.00 O ATOM 353 CB GLU A 25 45.856 5.633 -6.375 1.00 0.00 C ATOM 354 CG GLU A 25 46.529 6.994 -6.449 1.00 0.00 C ATOM 355 CD GLU A 25 47.689 7.020 -7.425 1.00 0.00 C ATOM 356 OE1 GLU A 25 47.622 6.302 -8.446 1.00 0.00 O ATOM 357 OE2 GLU A 25 48.662 7.758 -7.170 1.00 0.00 O ATOM 0 H GLU A 25 43.792 4.506 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 25 44.152 6.548 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 25 45.637 5.402 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 25 46.552 4.873 -6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 25 45.794 7.743 -6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 25 46.887 7.272 -5.458 1.00 0.00 H new ATOM 364 N GLY A 26 45.523 3.849 -8.568 1.00 0.00 N ATOM 365 CA GLY A 26 45.865 3.182 -9.805 1.00 0.00 C ATOM 366 C GLY A 26 45.388 1.747 -9.817 1.00 0.00 C ATOM 367 O GLY A 26 46.037 0.870 -10.389 1.00 0.00 O ATOM 0 H GLY A 26 45.843 3.371 -7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 26 45.422 3.720 -10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.946 3.208 -9.946 1.00 0.00 H new ATOM 371 N GLY A 27 44.251 1.506 -9.173 1.00 0.00 N ATOM 372 CA GLY A 27 43.704 0.166 -9.108 1.00 0.00 C ATOM 373 C GLY A 27 44.303 -0.627 -7.967 1.00 0.00 C ATOM 374 O GLY A 27 44.605 -1.811 -8.113 1.00 0.00 O ATOM 0 H GLY A 27 43.698 2.217 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 27 42.622 0.220 -8.986 1.00 0.00 H new ATOM 0 HA3 GLY A 27 43.893 -0.350 -10.049 1.00 0.00 H new ATOM 378 N TRP A 28 44.470 0.030 -6.824 1.00 0.00 N ATOM 379 CA TRP A 28 45.032 -0.624 -5.654 1.00 0.00 C ATOM 380 C TRP A 28 43.943 -1.121 -4.720 1.00 0.00 C ATOM 381 O TRP A 28 44.121 -2.140 -4.063 1.00 0.00 O ATOM 382 CB TRP A 28 46.001 0.296 -4.906 1.00 0.00 C ATOM 383 CG TRP A 28 45.364 1.508 -4.296 1.00 0.00 C ATOM 384 CD1 TRP A 28 45.569 2.801 -4.671 1.00 0.00 C ATOM 385 CD2 TRP A 28 44.439 1.551 -3.198 1.00 0.00 C ATOM 386 NE1 TRP A 28 44.837 3.645 -3.875 1.00 0.00 N ATOM 387 CE2 TRP A 28 44.133 2.904 -2.969 1.00 0.00 C ATOM 388 CE3 TRP A 28 43.837 0.586 -2.385 1.00 0.00 C ATOM 389 CZ2 TRP A 28 43.259 3.312 -1.969 1.00 0.00 C ATOM 390 CZ3 TRP A 28 42.968 0.996 -1.391 1.00 0.00 C ATOM 391 CH2 TRP A 28 42.687 2.349 -1.192 1.00 0.00 C ATOM 0 H TRP A 28 44.225 1.010 -6.686 1.00 0.00 H new ATOM 0 HA TRP A 28 45.594 -1.487 -6.010 1.00 0.00 H new ATOM 0 HB2 TRP A 28 46.490 -0.277 -4.118 1.00 0.00 H new ATOM 0 HB3 TRP A 28 46.780 0.619 -5.596 1.00 0.00 H new ATOM 0 HD1 TRP A 28 46.214 3.116 -5.478 1.00 0.00 H new ATOM 0 HE1 TRP A 28 44.821 4.662 -3.948 1.00 0.00 H new ATOM 0 HE3 TRP A 28 44.047 -0.463 -2.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 43.040 4.358 -1.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 42.499 0.257 -0.758 1.00 0.00 H new ATOM 0 HH2 TRP A 28 42.003 2.638 -0.407 1.00 0.00 H new ATOM 402 N LEU A 29 42.809 -0.417 -4.662 1.00 0.00 N ATOM 403 CA LEU A 29 41.703 -0.835 -3.799 1.00 0.00 C ATOM 404 C LEU A 29 41.638 -2.351 -3.741 1.00 0.00 C ATOM 405 O LEU A 29 41.909 -2.960 -2.706 1.00 0.00 O ATOM 406 CB LEU A 29 40.380 -0.260 -4.316 1.00 0.00 C ATOM 407 CG LEU A 29 39.122 -1.005 -3.862 1.00 0.00 C ATOM 408 CD1 LEU A 29 38.713 -0.559 -2.465 1.00 0.00 C ATOM 409 CD2 LEU A 29 37.985 -0.779 -4.848 1.00 0.00 C ATOM 0 H LEU A 29 42.634 0.435 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 29 41.874 -0.453 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 29 40.304 0.779 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 29 40.406 -0.255 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 29 39.345 -2.072 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 29 37.817 -1.099 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 29 39.521 -0.770 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.508 0.511 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.098 -1.316 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 29 37.763 0.286 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.278 -1.146 -5.832 1.00 0.00 H new ATOM 421 N THR A 30 41.280 -2.948 -4.862 1.00 0.00 N ATOM 422 CA THR A 30 41.177 -4.395 -4.955 1.00 0.00 C ATOM 423 C THR A 30 42.457 -5.085 -4.476 1.00 0.00 C ATOM 424 O THR A 30 42.403 -6.205 -3.967 1.00 0.00 O ATOM 425 CB THR A 30 40.876 -4.812 -6.395 1.00 0.00 C ATOM 426 OG1 THR A 30 42.057 -4.809 -7.176 1.00 0.00 O ATOM 427 CG2 THR A 30 39.869 -3.914 -7.082 1.00 0.00 C ATOM 0 H THR A 30 41.055 -2.453 -5.725 1.00 0.00 H new ATOM 0 HA THR A 30 40.360 -4.708 -4.305 1.00 0.00 H new ATOM 0 HB THR A 30 40.454 -5.814 -6.322 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.843 -5.080 -8.093 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.702 -4.267 -8.100 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.928 -3.934 -6.532 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.251 -2.893 -7.110 1.00 0.00 H new ATOM 435 N ARG A 31 43.610 -4.436 -4.657 1.00 0.00 N ATOM 436 CA ARG A 31 44.886 -5.030 -4.256 1.00 0.00 C ATOM 437 C ARG A 31 45.348 -4.577 -2.866 1.00 0.00 C ATOM 438 O ARG A 31 45.396 -5.375 -1.930 1.00 0.00 O ATOM 439 CB ARG A 31 45.962 -4.677 -5.282 1.00 0.00 C ATOM 440 CG ARG A 31 45.409 -4.304 -6.647 1.00 0.00 C ATOM 441 CD ARG A 31 46.478 -4.409 -7.720 1.00 0.00 C ATOM 442 NE ARG A 31 47.315 -5.593 -7.540 1.00 0.00 N ATOM 443 CZ ARG A 31 48.592 -5.662 -7.904 1.00 0.00 C ATOM 444 NH1 ARG A 31 49.184 -4.619 -8.473 1.00 0.00 N ATOM 445 NH2 ARG A 31 49.281 -6.776 -7.700 1.00 0.00 N ATOM 0 H ARG A 31 43.686 -3.508 -5.074 1.00 0.00 H new ATOM 0 HA ARG A 31 44.732 -6.108 -4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 31 46.555 -3.846 -4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 31 46.637 -5.526 -5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 31 44.575 -4.960 -6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 31 45.018 -3.287 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 31 46.005 -4.444 -8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 31 47.103 -3.516 -7.699 1.00 0.00 H new ATOM 0 HE ARG A 31 46.894 -6.416 -7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 31 48.659 -3.759 -8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 31 50.164 -4.677 -8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 31 48.832 -7.581 -7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 31 50.261 -6.828 -7.980 1.00 0.00 H new ATOM 459 N LEU A 32 45.710 -3.300 -2.747 1.00 0.00 N ATOM 460 CA LEU A 32 46.197 -2.747 -1.484 1.00 0.00 C ATOM 461 C LEU A 32 45.342 -3.215 -0.306 1.00 0.00 C ATOM 462 O LEU A 32 45.862 -3.823 0.630 1.00 0.00 O ATOM 463 CB LEU A 32 46.274 -1.214 -1.564 1.00 0.00 C ATOM 464 CG LEU A 32 45.692 -0.441 -0.375 1.00 0.00 C ATOM 465 CD1 LEU A 32 46.352 -0.878 0.918 1.00 0.00 C ATOM 466 CD2 LEU A 32 45.877 1.056 -0.570 1.00 0.00 C ATOM 0 H LEU A 32 45.675 -2.627 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 32 47.206 -3.122 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 32 47.320 -0.930 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 32 45.756 -0.892 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 32 44.626 -0.659 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.926 -0.319 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.181 -1.944 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 32 47.424 -0.686 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 32 45.458 1.589 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.940 1.283 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 32 45.366 1.370 -1.480 1.00 0.00 H new ATOM 478 N LEU A 33 44.034 -2.969 -0.357 1.00 0.00 N ATOM 479 CA LEU A 33 43.153 -3.421 0.719 1.00 0.00 C ATOM 480 C LEU A 33 43.545 -4.846 1.097 1.00 0.00 C ATOM 481 O LEU A 33 43.979 -5.119 2.212 1.00 0.00 O ATOM 482 CB LEU A 33 41.689 -3.372 0.270 1.00 0.00 C ATOM 483 CG LEU A 33 41.072 -1.971 0.233 1.00 0.00 C ATOM 484 CD1 LEU A 33 39.558 -2.055 0.117 1.00 0.00 C ATOM 485 CD2 LEU A 33 41.470 -1.181 1.471 1.00 0.00 C ATOM 0 H LEU A 33 43.568 -2.470 -1.115 1.00 0.00 H new ATOM 0 HA LEU A 33 43.259 -2.765 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 33 41.614 -3.812 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 33 41.098 -3.996 0.940 1.00 0.00 H new ATOM 0 HG LEU A 33 41.454 -1.451 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 33 39.139 -1.049 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 33 39.292 -2.582 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 33 39.157 -2.594 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 33 41.023 -0.188 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 33 41.117 -1.700 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 33 42.555 -1.089 1.510 1.00 0.00 H new ATOM 497 N GLN A 34 43.381 -5.737 0.133 1.00 0.00 N ATOM 498 CA GLN A 34 43.715 -7.148 0.297 1.00 0.00 C ATOM 499 C GLN A 34 45.051 -7.315 1.028 1.00 0.00 C ATOM 500 O GLN A 34 45.143 -8.045 2.015 1.00 0.00 O ATOM 501 CB GLN A 34 43.779 -7.797 -1.074 1.00 0.00 C ATOM 502 CG GLN A 34 42.807 -8.952 -1.253 1.00 0.00 C ATOM 503 CD GLN A 34 41.457 -8.501 -1.774 1.00 0.00 C ATOM 504 OE1 GLN A 34 40.905 -9.094 -2.701 1.00 0.00 O ATOM 505 NE2 GLN A 34 40.918 -7.444 -1.178 1.00 0.00 N ATOM 0 H GLN A 34 43.012 -5.505 -0.789 1.00 0.00 H new ATOM 0 HA GLN A 34 42.946 -7.631 0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 34 43.575 -7.042 -1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 34 44.793 -8.158 -1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 34 43.235 -9.679 -1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 34 42.673 -9.461 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 34 41.411 -6.983 -0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 34 40.011 -7.093 -1.485 1.00 0.00 H new ATOM 514 N THR A 35 46.080 -6.606 0.550 1.00 0.00 N ATOM 515 CA THR A 35 47.411 -6.643 1.169 1.00 0.00 C ATOM 516 C THR A 35 47.425 -5.845 2.476 1.00 0.00 C ATOM 517 O THR A 35 48.435 -5.771 3.174 1.00 0.00 O ATOM 518 CB THR A 35 48.461 -6.090 0.207 1.00 0.00 C ATOM 519 OG1 THR A 35 48.018 -6.198 -1.133 1.00 0.00 O ATOM 520 CG2 THR A 35 49.795 -6.798 0.309 1.00 0.00 C ATOM 0 H THR A 35 46.016 -5.998 -0.266 1.00 0.00 H new ATOM 0 HA THR A 35 47.651 -7.682 1.395 1.00 0.00 H new ATOM 0 HB THR A 35 48.598 -5.047 0.494 1.00 0.00 H new ATOM 0 HG1 THR A 35 48.703 -5.837 -1.734 1.00 0.00 H new ATOM 0 HG21 THR A 35 50.496 -6.358 -0.400 1.00 0.00 H new ATOM 0 HG22 THR A 35 50.187 -6.691 1.320 1.00 0.00 H new ATOM 0 HG23 THR A 35 49.664 -7.856 0.080 1.00 0.00 H new ATOM 528 N LYS A 36 46.267 -5.289 2.799 1.00 0.00 N ATOM 529 CA LYS A 36 46.068 -4.528 4.016 1.00 0.00 C ATOM 530 C LYS A 36 44.929 -5.153 4.805 1.00 0.00 C ATOM 531 O LYS A 36 44.272 -4.491 5.601 1.00 0.00 O ATOM 532 CB LYS A 36 45.752 -3.068 3.693 1.00 0.00 C ATOM 533 CG LYS A 36 46.966 -2.156 3.761 1.00 0.00 C ATOM 534 CD LYS A 36 48.099 -2.672 2.888 1.00 0.00 C ATOM 535 CE LYS A 36 49.356 -1.836 3.052 1.00 0.00 C ATOM 536 NZ LYS A 36 50.484 -2.629 3.618 1.00 0.00 N ATOM 0 H LYS A 36 45.433 -5.356 2.216 1.00 0.00 H new ATOM 0 HA LYS A 36 46.982 -4.549 4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 36 45.320 -3.010 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 36 44.996 -2.706 4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 36 46.687 -1.152 3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 36 47.307 -2.078 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 36 48.315 -3.709 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 36 47.788 -2.661 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 36 49.649 -1.428 2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 36 49.145 -0.989 3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 51.322 -2.021 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 50.215 -2.997 4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 50.703 -3.423 2.983 1.00 0.00 H new ATOM 550 N ASN A 37 44.686 -6.436 4.547 1.00 0.00 N ATOM 551 CA ASN A 37 43.607 -7.159 5.203 1.00 0.00 C ATOM 552 C ASN A 37 42.320 -6.355 5.111 1.00 0.00 C ATOM 553 O ASN A 37 41.599 -6.191 6.097 1.00 0.00 O ATOM 554 CB ASN A 37 43.949 -7.463 6.667 1.00 0.00 C ATOM 555 CG ASN A 37 44.576 -6.284 7.383 1.00 0.00 C ATOM 556 OD1 ASN A 37 45.795 -6.214 7.539 1.00 0.00 O ATOM 557 ND2 ASN A 37 43.742 -5.349 7.826 1.00 0.00 N ATOM 0 H ASN A 37 45.225 -6.995 3.886 1.00 0.00 H new ATOM 0 HA ASN A 37 43.471 -8.112 4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 37 43.042 -7.760 7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 37 44.633 -8.311 6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 37 44.106 -4.533 8.317 1.00 0.00 H new ATOM 0 HD22 ASN A 37 42.738 -5.448 7.675 1.00 0.00 H new ATOM 564 N TYR A 38 42.043 -5.846 3.913 1.00 0.00 N ATOM 565 CA TYR A 38 40.850 -5.048 3.676 1.00 0.00 C ATOM 566 C TYR A 38 40.694 -3.981 4.750 1.00 0.00 C ATOM 567 O TYR A 38 39.744 -4.008 5.532 1.00 0.00 O ATOM 568 CB TYR A 38 39.610 -5.937 3.651 1.00 0.00 C ATOM 569 CG TYR A 38 39.646 -7.012 2.587 1.00 0.00 C ATOM 570 CD1 TYR A 38 40.470 -8.123 2.721 1.00 0.00 C ATOM 571 CD2 TYR A 38 38.851 -6.919 1.450 1.00 0.00 C ATOM 572 CE1 TYR A 38 40.503 -9.109 1.754 1.00 0.00 C ATOM 573 CE2 TYR A 38 38.877 -7.903 0.479 1.00 0.00 C ATOM 574 CZ TYR A 38 39.705 -8.995 0.636 1.00 0.00 C ATOM 575 OH TYR A 38 39.734 -9.977 -0.327 1.00 0.00 O ATOM 0 H TYR A 38 42.633 -5.974 3.091 1.00 0.00 H new ATOM 0 HA TYR A 38 40.958 -4.559 2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 38 39.494 -6.409 4.627 1.00 0.00 H new ATOM 0 HB3 TYR A 38 38.731 -5.313 3.493 1.00 0.00 H new ATOM 0 HD1 TYR A 38 41.095 -8.217 3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 38 38.203 -6.064 1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 38 41.151 -9.965 1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 38 38.252 -7.817 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 38 39.113 -9.746 -1.049 1.00 0.00 H new ATOM 585 N ASP A 39 41.631 -3.041 4.786 1.00 0.00 N ATOM 586 CA ASP A 39 41.581 -1.966 5.781 1.00 0.00 C ATOM 587 C ASP A 39 41.597 -0.599 5.122 1.00 0.00 C ATOM 588 O ASP A 39 42.248 -0.406 4.099 1.00 0.00 O ATOM 589 CB ASP A 39 42.751 -2.072 6.760 1.00 0.00 C ATOM 590 CG ASP A 39 42.298 -2.387 8.172 1.00 0.00 C ATOM 591 OD1 ASP A 39 41.143 -2.057 8.514 1.00 0.00 O ATOM 592 OD2 ASP A 39 43.101 -2.962 8.937 1.00 0.00 O ATOM 0 H ASP A 39 42.426 -2.997 4.149 1.00 0.00 H new ATOM 0 HA ASP A 39 40.645 -2.079 6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.436 -2.848 6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.307 -1.134 6.761 1.00 0.00 H new ATOM 597 N ILE A 40 40.891 0.351 5.732 1.00 0.00 N ATOM 598 CA ILE A 40 40.834 1.710 5.222 1.00 0.00 C ATOM 599 C ILE A 40 41.993 2.505 5.786 1.00 0.00 C ATOM 600 O ILE A 40 42.423 3.504 5.211 1.00 0.00 O ATOM 601 CB ILE A 40 39.511 2.420 5.585 1.00 0.00 C ATOM 602 CG1 ILE A 40 38.953 1.885 6.908 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.494 2.251 4.465 1.00 0.00 C ATOM 604 CD1 ILE A 40 38.053 0.680 6.743 1.00 0.00 C ATOM 0 H ILE A 40 40.350 0.199 6.583 1.00 0.00 H new ATOM 0 HA ILE A 40 40.893 1.654 4.135 1.00 0.00 H new ATOM 0 HB ILE A 40 39.714 3.484 5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 40 39.784 1.621 7.563 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.396 2.679 7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 40 37.567 2.757 4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 40 38.889 2.685 3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 40 38.297 1.190 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 40 37.695 0.356 7.720 1.00 0.00 H new ATOM 0 HD12 ILE A 40 37.202 0.944 6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 40 38.612 -0.130 6.275 1.00 0.00 H new ATOM 616 N GLY A 41 42.495 2.040 6.923 1.00 0.00 N ATOM 617 CA GLY A 41 43.602 2.704 7.559 1.00 0.00 C ATOM 618 C GLY A 41 44.613 3.185 6.551 1.00 0.00 C ATOM 619 O GLY A 41 44.929 4.373 6.478 1.00 0.00 O ATOM 0 H GLY A 41 42.151 1.214 7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 41 43.235 3.550 8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 41 44.082 2.021 8.260 1.00 0.00 H new ATOM 623 N ALA A 42 45.117 2.247 5.774 1.00 0.00 N ATOM 624 CA ALA A 42 46.106 2.544 4.748 1.00 0.00 C ATOM 625 C ALA A 42 45.459 2.691 3.377 1.00 0.00 C ATOM 626 O ALA A 42 46.106 3.126 2.423 1.00 0.00 O ATOM 627 CB ALA A 42 47.174 1.461 4.718 1.00 0.00 C ATOM 0 H ALA A 42 44.857 1.262 5.832 1.00 0.00 H new ATOM 0 HA ALA A 42 46.573 3.496 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 42 47.908 1.695 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 42 47.670 1.412 5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.711 0.499 4.499 1.00 0.00 H new ATOM 633 N ALA A 43 44.180 2.345 3.281 1.00 0.00 N ATOM 634 CA ALA A 43 43.467 2.466 2.014 1.00 0.00 C ATOM 635 C ALA A 43 43.461 3.914 1.554 1.00 0.00 C ATOM 636 O ALA A 43 43.788 4.213 0.409 1.00 0.00 O ATOM 637 CB ALA A 43 42.039 1.955 2.137 1.00 0.00 C ATOM 0 H ALA A 43 43.621 1.983 4.054 1.00 0.00 H new ATOM 0 HA ALA A 43 43.986 1.855 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 43 41.532 2.058 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 43 42.052 0.905 2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 43 41.509 2.536 2.892 1.00 0.00 H new ATOM 643 N LEU A 44 43.088 4.803 2.467 1.00 0.00 N ATOM 644 CA LEU A 44 43.030 6.231 2.179 1.00 0.00 C ATOM 645 C LEU A 44 44.418 6.798 1.899 1.00 0.00 C ATOM 646 O LEU A 44 44.663 7.380 0.842 1.00 0.00 O ATOM 647 CB LEU A 44 42.389 6.978 3.349 1.00 0.00 C ATOM 648 CG LEU A 44 40.881 6.770 3.494 1.00 0.00 C ATOM 649 CD1 LEU A 44 40.491 5.367 3.052 1.00 0.00 C ATOM 650 CD2 LEU A 44 40.444 7.021 4.930 1.00 0.00 C ATOM 0 H LEU A 44 42.819 4.557 3.420 1.00 0.00 H new ATOM 0 HA LEU A 44 42.421 6.368 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 44 42.875 6.664 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 44 42.585 8.044 3.232 1.00 0.00 H new ATOM 0 HG LEU A 44 40.370 7.486 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 44 39.414 5.237 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 44 40.769 5.224 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 44 41.010 4.634 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 44 39.368 6.868 5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 44 40.962 6.329 5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 44 40.688 8.045 5.211 1.00 0.00 H new ATOM 662 N ASP A 45 45.315 6.636 2.865 1.00 0.00 N ATOM 663 CA ASP A 45 46.680 7.140 2.754 1.00 0.00 C ATOM 664 C ASP A 45 47.221 7.056 1.326 1.00 0.00 C ATOM 665 O ASP A 45 48.094 7.833 0.946 1.00 0.00 O ATOM 666 CB ASP A 45 47.599 6.361 3.698 1.00 0.00 C ATOM 667 CG ASP A 45 49.065 6.653 3.451 1.00 0.00 C ATOM 668 OD1 ASP A 45 49.640 6.057 2.516 1.00 0.00 O ATOM 669 OD2 ASP A 45 49.640 7.477 4.194 1.00 0.00 O ATOM 0 H ASP A 45 45.119 6.155 3.743 1.00 0.00 H new ATOM 0 HA ASP A 45 46.658 8.193 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 45 47.351 6.610 4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 45 47.419 5.293 3.576 1.00 0.00 H new ATOM 674 N THR A 46 46.729 6.098 0.549 1.00 0.00 N ATOM 675 CA THR A 46 47.207 5.910 -0.821 1.00 0.00 C ATOM 676 C THR A 46 46.328 6.593 -1.879 1.00 0.00 C ATOM 677 O THR A 46 46.812 6.919 -2.963 1.00 0.00 O ATOM 678 CB THR A 46 47.325 4.418 -1.129 1.00 0.00 C ATOM 679 OG1 THR A 46 46.046 3.814 -1.176 1.00 0.00 O ATOM 680 CG2 THR A 46 48.155 3.667 -0.110 1.00 0.00 C ATOM 0 H THR A 46 46.004 5.442 0.839 1.00 0.00 H new ATOM 0 HA THR A 46 48.184 6.389 -0.876 1.00 0.00 H new ATOM 0 HB THR A 46 47.823 4.356 -2.097 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.676 3.902 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 46 48.201 2.613 -0.384 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.163 4.080 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 46 47.699 3.766 0.875 1.00 0.00 H new ATOM 688 N ILE A 47 45.046 6.796 -1.585 1.00 0.00 N ATOM 689 CA ILE A 47 44.143 7.428 -2.558 1.00 0.00 C ATOM 690 C ILE A 47 44.198 8.949 -2.480 1.00 0.00 C ATOM 691 O ILE A 47 44.143 9.631 -3.503 1.00 0.00 O ATOM 692 CB ILE A 47 42.667 6.994 -2.392 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.385 6.544 -0.963 1.00 0.00 C ATOM 694 CG2 ILE A 47 42.307 5.896 -3.383 1.00 0.00 C ATOM 695 CD1 ILE A 47 40.992 5.995 -0.763 1.00 0.00 C ATOM 0 H ILE A 47 44.610 6.539 -0.699 1.00 0.00 H new ATOM 0 HA ILE A 47 44.502 7.087 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 47 42.040 7.860 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 47 43.111 5.781 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 47 42.533 7.388 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 47 41.264 5.609 -3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 47 42.451 6.262 -4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 47 42.947 5.030 -3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 47 40.865 5.695 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 47 40.259 6.763 -1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.845 5.130 -1.410 1.00 0.00 H new ATOM 707 N GLN A 48 44.301 9.479 -1.267 1.00 0.00 N ATOM 708 CA GLN A 48 44.354 10.925 -1.076 1.00 0.00 C ATOM 709 C GLN A 48 44.762 11.283 0.347 1.00 0.00 C ATOM 710 O GLN A 48 44.221 12.218 0.939 1.00 0.00 O ATOM 711 CB GLN A 48 42.993 11.550 -1.389 1.00 0.00 C ATOM 712 CG GLN A 48 42.846 12.012 -2.830 1.00 0.00 C ATOM 713 CD GLN A 48 41.588 11.478 -3.484 1.00 0.00 C ATOM 714 OE1 GLN A 48 40.867 12.209 -4.162 1.00 0.00 O ATOM 715 NE2 GLN A 48 41.317 10.196 -3.280 1.00 0.00 N ATOM 0 H GLN A 48 44.349 8.934 -0.406 1.00 0.00 H new ATOM 0 HA GLN A 48 45.105 11.321 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 48 42.211 10.823 -1.169 1.00 0.00 H new ATOM 0 HB3 GLN A 48 42.833 12.401 -0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 48 42.833 13.102 -2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 48 43.715 11.688 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.943 9.627 -2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.482 9.779 -3.693 1.00 0.00 H new ATOM 724 N TYR A 49 45.723 10.547 0.890 1.00 0.00 N ATOM 725 CA TYR A 49 46.207 10.799 2.242 1.00 0.00 C ATOM 726 C TYR A 49 47.666 10.378 2.365 1.00 0.00 C ATOM 727 O TYR A 49 48.167 10.135 3.463 1.00 0.00 O ATOM 728 CB TYR A 49 45.351 10.059 3.272 1.00 0.00 C ATOM 729 CG TYR A 49 44.248 10.906 3.865 1.00 0.00 C ATOM 730 CD1 TYR A 49 44.500 11.768 4.924 1.00 0.00 C ATOM 731 CD2 TYR A 49 42.954 10.841 3.365 1.00 0.00 C ATOM 732 CE1 TYR A 49 43.493 12.545 5.468 1.00 0.00 C ATOM 733 CE2 TYR A 49 41.941 11.614 3.903 1.00 0.00 C ATOM 734 CZ TYR A 49 42.217 12.464 4.954 1.00 0.00 C ATOM 735 OH TYR A 49 41.211 13.234 5.492 1.00 0.00 O ATOM 0 H TYR A 49 46.183 9.770 0.415 1.00 0.00 H new ATOM 0 HA TYR A 49 46.131 11.868 2.441 1.00 0.00 H new ATOM 0 HB2 TYR A 49 44.910 9.181 2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 49 45.994 9.700 4.076 1.00 0.00 H new ATOM 0 HD1 TYR A 49 45.499 11.833 5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 49 42.735 10.176 2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 49 43.706 13.211 6.291 1.00 0.00 H new ATOM 0 HE2 TYR A 49 40.940 11.553 3.503 1.00 0.00 H new ATOM 0 HH TYR A 49 40.374 13.058 5.014 1.00 0.00 H new ATOM 745 N SER A 50 48.344 10.301 1.223 1.00 0.00 N ATOM 746 CA SER A 50 49.751 9.919 1.186 1.00 0.00 C ATOM 747 C SER A 50 50.633 11.163 1.252 1.00 0.00 C ATOM 748 O SER A 50 51.748 11.183 0.732 1.00 0.00 O ATOM 749 CB SER A 50 50.051 9.124 -0.088 1.00 0.00 C ATOM 750 OG SER A 50 50.920 9.839 -0.951 1.00 0.00 O ATOM 0 H SER A 50 47.939 10.499 0.308 1.00 0.00 H new ATOM 0 HA SER A 50 49.967 9.289 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 50 50.503 8.168 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 50 49.119 8.903 -0.609 1.00 0.00 H new ATOM 0 HG SER A 50 51.774 9.997 -0.497 1.00 0.00 H new ATOM 756 N LYS A 51 50.119 12.199 1.906 1.00 0.00 N ATOM 757 CA LYS A 51 50.843 13.456 2.054 1.00 0.00 C ATOM 758 C LYS A 51 50.597 14.053 3.433 1.00 0.00 C ATOM 759 O LYS A 51 50.418 15.263 3.577 1.00 0.00 O ATOM 760 CB LYS A 51 50.408 14.446 0.970 1.00 0.00 C ATOM 761 CG LYS A 51 48.901 14.619 0.878 1.00 0.00 C ATOM 762 CD LYS A 51 48.515 16.085 0.749 1.00 0.00 C ATOM 763 CE LYS A 51 47.898 16.381 -0.608 1.00 0.00 C ATOM 764 NZ LYS A 51 46.662 15.584 -0.843 1.00 0.00 N ATOM 0 H LYS A 51 49.198 12.192 2.344 1.00 0.00 H new ATOM 0 HA LYS A 51 51.909 13.256 1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 51 50.866 15.415 1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 51 50.787 14.107 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 51 48.522 14.065 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 51 48.430 14.194 1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 51 47.808 16.347 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 51 49.397 16.709 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 51 47.663 17.443 -0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 51 48.624 16.164 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 46.025 16.110 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 46.913 14.676 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 46.184 15.409 0.064 1.00 0.00 H new ATOM 778 N HIS A 52 50.583 13.193 4.446 1.00 0.00 N ATOM 779 CA HIS A 52 50.352 13.627 5.819 1.00 0.00 C ATOM 780 C HIS A 52 51.549 13.295 6.705 1.00 0.00 C ATOM 781 O HIS A 52 52.004 14.194 7.443 1.00 0.00 O ATOM 782 CB HIS A 52 49.090 12.960 6.370 1.00 0.00 C ATOM 783 CG HIS A 52 48.665 13.488 7.704 1.00 0.00 C ATOM 784 ND1 HIS A 52 47.599 14.340 7.887 1.00 0.00 N ATOM 785 CD2 HIS A 52 49.184 13.266 8.937 1.00 0.00 C ATOM 786 CE1 HIS A 52 47.505 14.605 9.197 1.00 0.00 C ATOM 787 NE2 HIS A 52 48.444 13.976 9.879 1.00 0.00 N ATOM 788 OXT HIS A 52 52.017 12.138 6.655 1.00 0.00 O ATOM 0 H HIS A 52 50.729 12.189 4.341 1.00 0.00 H new ATOM 0 HA HIS A 52 50.218 14.709 5.820 1.00 0.00 H new ATOM 0 HB2 HIS A 52 48.276 13.098 5.658 1.00 0.00 H new ATOM 0 HB3 HIS A 52 49.263 11.887 6.452 1.00 0.00 H new ATOM 0 HD2 HIS A 52 50.036 12.638 9.154 1.00 0.00 H new ATOM 0 HE1 HIS A 52 46.758 15.249 9.637 1.00 0.00 H new ATOM 0 HE2 HIS A 52 48.596 14.004 10.887 1.00 0.00 H new TER 796 HIS A 52