USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=16 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 :FLIP amide:sc= -3.41! C(o=-6.9!,f=-3.5!) USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= -0.0887 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 172:sc= -0.57! USER MOD Single : A 15 SER OG : rot -160:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -5.56! C(o=-8.5!,f=-5.6!) USER MOD Single : A 17 MET CE :methyl 158:sc= -10.6! (180deg=-12.7!) USER MOD Single : A 19 SER OG : rot 180:sc= 0.054 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0586 USER MOD Single : A 30 THR OG1 : rot 10:sc= 0.388! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00477 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.83! C(o=-2.5!,f=-1.8!) USER MOD Single : A 46 THR OG1 : rot 109:sc= 0.559 USER MOD Single : A 48 GLN :FLIP amide:sc= -1.15 F(o=-2.5!,f=-1.2) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 39:sc= 1.11 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.0215 X(o=-0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.304 -16.295 3.623 1.00 0.00 N ATOM 2 CA GLY A 1 27.941 -16.367 2.278 1.00 0.00 C ATOM 3 C GLY A 1 28.127 -15.000 1.650 1.00 0.00 C ATOM 4 O GLY A 1 27.383 -14.617 0.747 1.00 0.00 O ATOM 0 H1 GLY A 1 27.199 -17.255 4.009 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.900 -15.729 4.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.367 -15.851 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.910 -16.859 2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.328 -16.984 1.622 1.00 0.00 H new ATOM 10 N SER A 2 29.123 -14.262 2.129 1.00 0.00 N ATOM 11 CA SER A 2 29.407 -12.929 1.611 1.00 0.00 C ATOM 12 C SER A 2 30.231 -13.010 0.328 1.00 0.00 C ATOM 13 O SER A 2 31.346 -13.531 0.330 1.00 0.00 O ATOM 14 CB SER A 2 30.158 -12.100 2.654 1.00 0.00 C ATOM 15 OG SER A 2 29.599 -12.274 3.944 1.00 0.00 O ATOM 0 H SER A 2 29.748 -14.565 2.876 1.00 0.00 H new ATOM 0 HA SER A 2 28.456 -12.445 1.387 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.208 -12.392 2.667 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.123 -11.046 2.379 1.00 0.00 H new ATOM 0 HG SER A 2 30.098 -11.735 4.592 1.00 0.00 H new ATOM 21 N PRO A 3 29.691 -12.498 -0.788 1.00 0.00 N ATOM 22 CA PRO A 3 30.368 -12.512 -2.072 1.00 0.00 C ATOM 23 C PRO A 3 31.199 -11.256 -2.303 1.00 0.00 C ATOM 24 O PRO A 3 30.969 -10.222 -1.676 1.00 0.00 O ATOM 25 CB PRO A 3 29.209 -12.585 -3.068 1.00 0.00 C ATOM 26 CG PRO A 3 27.998 -12.065 -2.344 1.00 0.00 C ATOM 27 CD PRO A 3 28.375 -11.862 -0.893 1.00 0.00 C ATOM 0 HA PRO A 3 31.078 -13.335 -2.158 1.00 0.00 H new ATOM 0 HB2 PRO A 3 29.419 -11.986 -3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 3 29.050 -13.609 -3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 3 27.663 -11.127 -2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 3 27.171 -12.770 -2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 3 28.419 -10.804 -0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 3 27.651 -12.325 -0.222 1.00 0.00 H new ATOM 35 N PRO A 4 32.180 -11.334 -3.214 1.00 0.00 N ATOM 36 CA PRO A 4 33.058 -10.204 -3.536 1.00 0.00 C ATOM 37 C PRO A 4 32.279 -8.963 -3.960 1.00 0.00 C ATOM 38 O PRO A 4 32.247 -8.612 -5.139 1.00 0.00 O ATOM 39 CB PRO A 4 33.900 -10.726 -4.704 1.00 0.00 C ATOM 40 CG PRO A 4 33.860 -12.210 -4.570 1.00 0.00 C ATOM 41 CD PRO A 4 32.510 -12.535 -3.996 1.00 0.00 C ATOM 0 HA PRO A 4 33.646 -9.891 -2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 4 33.490 -10.404 -5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 4 34.922 -10.352 -4.653 1.00 0.00 H new ATOM 0 HG2 PRO A 4 34.000 -12.693 -5.537 1.00 0.00 H new ATOM 0 HG3 PRO A 4 34.658 -12.565 -3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 4 31.774 -12.721 -4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 4 32.543 -13.427 -3.370 1.00 0.00 H new ATOM 49 N GLU A 5 31.658 -8.301 -2.988 1.00 0.00 N ATOM 50 CA GLU A 5 30.881 -7.094 -3.254 1.00 0.00 C ATOM 51 C GLU A 5 29.926 -6.790 -2.103 1.00 0.00 C ATOM 52 O GLU A 5 28.751 -7.154 -2.154 1.00 0.00 O ATOM 53 CB GLU A 5 30.089 -7.242 -4.557 1.00 0.00 C ATOM 54 CG GLU A 5 29.012 -6.184 -4.743 1.00 0.00 C ATOM 55 CD GLU A 5 27.648 -6.782 -5.022 1.00 0.00 C ATOM 56 OE1 GLU A 5 27.587 -7.844 -5.674 1.00 0.00 O ATOM 57 OE2 GLU A 5 26.640 -6.188 -4.585 1.00 0.00 O ATOM 0 H GLU A 5 31.678 -8.581 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 5 31.581 -6.264 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 5 30.780 -7.196 -5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 5 29.625 -8.228 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 5 28.957 -5.566 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 5 29.292 -5.527 -5.567 1.00 0.00 H new ATOM 64 N ALA A 6 30.444 -6.117 -1.071 1.00 0.00 N ATOM 65 CA ALA A 6 29.653 -5.744 0.102 1.00 0.00 C ATOM 66 C ALA A 6 29.887 -6.707 1.256 1.00 0.00 C ATOM 67 O ALA A 6 28.950 -7.128 1.935 1.00 0.00 O ATOM 68 CB ALA A 6 28.172 -5.657 -0.229 1.00 0.00 C ATOM 0 H ALA A 6 31.418 -5.818 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 6 29.987 -4.754 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 6 27.615 -5.378 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 6 28.016 -4.906 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 6 27.822 -6.625 -0.587 1.00 0.00 H new ATOM 74 N ASP A 7 31.152 -7.024 1.486 1.00 0.00 N ATOM 75 CA ASP A 7 31.543 -7.907 2.571 1.00 0.00 C ATOM 76 C ASP A 7 31.868 -7.060 3.789 1.00 0.00 C ATOM 77 O ASP A 7 32.207 -5.886 3.644 1.00 0.00 O ATOM 78 CB ASP A 7 32.753 -8.754 2.172 1.00 0.00 C ATOM 79 CG ASP A 7 32.368 -10.177 1.817 1.00 0.00 C ATOM 80 OD1 ASP A 7 31.504 -10.355 0.934 1.00 0.00 O ATOM 81 OD2 ASP A 7 32.930 -11.114 2.424 1.00 0.00 O ATOM 0 H ASP A 7 31.932 -6.678 0.928 1.00 0.00 H new ATOM 0 HA ASP A 7 30.724 -8.588 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 7 33.252 -8.292 1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 7 33.470 -8.768 2.993 1.00 0.00 H new ATOM 86 N PRO A 8 31.765 -7.623 5.003 1.00 0.00 N ATOM 87 CA PRO A 8 32.051 -6.895 6.225 1.00 0.00 C ATOM 88 C PRO A 8 33.081 -5.800 5.986 1.00 0.00 C ATOM 89 O PRO A 8 32.806 -4.617 6.178 1.00 0.00 O ATOM 90 CB PRO A 8 32.600 -7.993 7.132 1.00 0.00 C ATOM 91 CG PRO A 8 31.916 -9.253 6.681 1.00 0.00 C ATOM 92 CD PRO A 8 31.377 -9.008 5.286 1.00 0.00 C ATOM 0 HA PRO A 8 31.187 -6.378 6.642 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.683 -8.077 7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.386 -7.782 8.180 1.00 0.00 H new ATOM 0 HG2 PRO A 8 32.615 -10.089 6.680 1.00 0.00 H new ATOM 0 HG3 PRO A 8 31.107 -9.515 7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 8 31.808 -9.700 4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 8 30.295 -9.137 5.246 1.00 0.00 H new ATOM 100 N ARG A 9 34.267 -6.205 5.556 1.00 0.00 N ATOM 101 CA ARG A 9 35.342 -5.265 5.275 1.00 0.00 C ATOM 102 C ARG A 9 34.955 -4.271 4.180 1.00 0.00 C ATOM 103 O ARG A 9 34.921 -3.072 4.407 1.00 0.00 O ATOM 104 CB ARG A 9 36.591 -6.021 4.826 1.00 0.00 C ATOM 105 CG ARG A 9 37.133 -6.988 5.867 1.00 0.00 C ATOM 106 CD ARG A 9 36.579 -8.388 5.667 1.00 0.00 C ATOM 107 NE ARG A 9 37.613 -9.332 5.254 1.00 0.00 N ATOM 108 CZ ARG A 9 38.561 -9.790 6.067 1.00 0.00 C ATOM 109 NH1 ARG A 9 38.603 -9.393 7.332 1.00 0.00 N ATOM 110 NH2 ARG A 9 39.465 -10.648 5.615 1.00 0.00 N ATOM 0 H ARG A 9 34.510 -7.182 5.394 1.00 0.00 H new ATOM 0 HA ARG A 9 35.538 -4.713 6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 9 36.361 -6.574 3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.369 -5.300 4.574 1.00 0.00 H new ATOM 0 HG2 ARG A 9 38.221 -7.014 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 9 36.875 -6.633 6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 9 36.123 -8.733 6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 9 35.791 -8.362 4.915 1.00 0.00 H new ATOM 0 HE ARG A 9 37.608 -9.659 4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 9 37.907 -8.735 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 9 39.331 -9.746 7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 9 39.434 -10.957 4.643 1.00 0.00 H new ATOM 0 HH22 ARG A 9 40.192 -10.999 6.239 1.00 0.00 H new ATOM 124 N LEU A 10 34.707 -4.787 2.981 1.00 0.00 N ATOM 125 CA LEU A 10 34.375 -3.961 1.832 1.00 0.00 C ATOM 126 C LEU A 10 33.222 -3.004 2.116 1.00 0.00 C ATOM 127 O LEU A 10 33.194 -1.893 1.591 1.00 0.00 O ATOM 128 CB LEU A 10 34.080 -4.843 0.619 1.00 0.00 C ATOM 129 CG LEU A 10 35.097 -5.969 0.362 1.00 0.00 C ATOM 130 CD1 LEU A 10 35.388 -6.098 -1.125 1.00 0.00 C ATOM 131 CD2 LEU A 10 36.396 -5.728 1.124 1.00 0.00 C ATOM 0 H LEU A 10 34.731 -5.787 2.781 1.00 0.00 H new ATOM 0 HA LEU A 10 35.242 -3.338 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 10 33.093 -5.289 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 10 34.032 -4.210 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 10 34.656 -6.899 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 10 36.109 -6.899 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 10 34.465 -6.328 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 10 35.799 -5.160 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 10 37.093 -6.541 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 10 36.836 -4.784 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 10 36.188 -5.687 2.193 1.00 0.00 H new ATOM 143 N ILE A 11 32.311 -3.398 2.993 1.00 0.00 N ATOM 144 CA ILE A 11 31.220 -2.508 3.370 1.00 0.00 C ATOM 145 C ILE A 11 31.742 -1.532 4.421 1.00 0.00 C ATOM 146 O ILE A 11 31.152 -0.486 4.689 1.00 0.00 O ATOM 147 CB ILE A 11 29.980 -3.275 3.895 1.00 0.00 C ATOM 148 CG1 ILE A 11 28.700 -2.520 3.516 1.00 0.00 C ATOM 149 CG2 ILE A 11 30.060 -3.495 5.403 1.00 0.00 C ATOM 150 CD1 ILE A 11 27.547 -2.739 4.474 1.00 0.00 C ATOM 0 H ILE A 11 32.302 -4.310 3.450 1.00 0.00 H new ATOM 0 HA ILE A 11 30.885 -1.970 2.483 1.00 0.00 H new ATOM 0 HB ILE A 11 29.959 -4.259 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 11 28.921 -1.454 3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 11 28.392 -2.828 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 11 29.175 -4.036 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 11 30.952 -4.076 5.639 1.00 0.00 H new ATOM 0 HG23 ILE A 11 30.110 -2.531 5.909 1.00 0.00 H new ATOM 0 HD11 ILE A 11 26.680 -2.171 4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 11 27.297 -3.799 4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 11 27.834 -2.404 5.471 1.00 0.00 H new ATOM 162 N GLU A 12 32.889 -1.905 4.980 1.00 0.00 N ATOM 163 CA GLU A 12 33.577 -1.105 5.977 1.00 0.00 C ATOM 164 C GLU A 12 34.627 -0.227 5.304 1.00 0.00 C ATOM 165 O GLU A 12 34.535 0.998 5.323 1.00 0.00 O ATOM 166 CB GLU A 12 34.235 -2.006 7.023 1.00 0.00 C ATOM 167 CG GLU A 12 34.296 -1.386 8.410 1.00 0.00 C ATOM 168 CD GLU A 12 34.836 0.031 8.393 1.00 0.00 C ATOM 169 OE1 GLU A 12 36.071 0.196 8.468 1.00 0.00 O ATOM 170 OE2 GLU A 12 34.023 0.974 8.303 1.00 0.00 O ATOM 0 H GLU A 12 33.367 -2.776 4.750 1.00 0.00 H new ATOM 0 HA GLU A 12 32.849 -0.467 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 12 33.685 -2.946 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 12 35.247 -2.247 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 12 33.298 -1.385 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 12 34.925 -2.003 9.052 1.00 0.00 H new ATOM 177 N SER A 13 35.640 -0.869 4.731 1.00 0.00 N ATOM 178 CA SER A 13 36.730 -0.167 4.071 1.00 0.00 C ATOM 179 C SER A 13 36.386 0.264 2.642 1.00 0.00 C ATOM 180 O SER A 13 36.705 1.383 2.241 1.00 0.00 O ATOM 181 CB SER A 13 37.979 -1.052 4.058 1.00 0.00 C ATOM 182 OG SER A 13 38.238 -1.585 5.345 1.00 0.00 O ATOM 0 H SER A 13 35.727 -1.885 4.712 1.00 0.00 H new ATOM 0 HA SER A 13 36.915 0.744 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 13 37.845 -1.865 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.837 -0.470 3.722 1.00 0.00 H new ATOM 0 HG SER A 13 38.958 -2.247 5.286 1.00 0.00 H new ATOM 188 N LEU A 14 35.746 -0.612 1.866 1.00 0.00 N ATOM 189 CA LEU A 14 35.403 -0.261 0.491 1.00 0.00 C ATOM 190 C LEU A 14 34.331 0.807 0.491 1.00 0.00 C ATOM 191 O LEU A 14 34.582 1.954 0.120 1.00 0.00 O ATOM 192 CB LEU A 14 34.934 -1.480 -0.307 1.00 0.00 C ATOM 193 CG LEU A 14 35.467 -1.558 -1.738 1.00 0.00 C ATOM 194 CD1 LEU A 14 35.999 -2.951 -2.033 1.00 0.00 C ATOM 195 CD2 LEU A 14 34.383 -1.176 -2.734 1.00 0.00 C ATOM 0 H LEU A 14 35.461 -1.547 2.158 1.00 0.00 H new ATOM 0 HA LEU A 14 36.302 0.121 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.234 -2.382 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 14 33.845 -1.477 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 14 36.288 -0.849 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 14 36.374 -2.988 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 14 36.808 -3.186 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 14 35.197 -3.680 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 14 34.781 -1.238 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 14 33.540 -1.859 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 14 34.050 -0.157 -2.536 1.00 0.00 H new ATOM 207 N SER A 15 33.138 0.430 0.927 1.00 0.00 N ATOM 208 CA SER A 15 32.032 1.373 0.995 1.00 0.00 C ATOM 209 C SER A 15 32.542 2.726 1.472 1.00 0.00 C ATOM 210 O SER A 15 32.605 3.682 0.705 1.00 0.00 O ATOM 211 CB SER A 15 30.943 0.855 1.938 1.00 0.00 C ATOM 212 OG SER A 15 29.981 0.086 1.236 1.00 0.00 O ATOM 0 H SER A 15 32.912 -0.515 1.237 1.00 0.00 H new ATOM 0 HA SER A 15 31.600 1.483 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 15 31.396 0.248 2.722 1.00 0.00 H new ATOM 0 HB3 SER A 15 30.453 1.696 2.429 1.00 0.00 H new ATOM 0 HG SER A 15 29.156 0.036 1.762 1.00 0.00 H new ATOM 218 N GLN A 16 32.886 2.804 2.754 1.00 0.00 N ATOM 219 CA GLN A 16 33.374 4.051 3.328 1.00 0.00 C ATOM 220 C GLN A 16 34.261 4.784 2.328 1.00 0.00 C ATOM 221 O GLN A 16 34.253 6.011 2.258 1.00 0.00 O ATOM 222 CB GLN A 16 34.139 3.788 4.630 1.00 0.00 C ATOM 223 CG GLN A 16 35.638 3.611 4.442 1.00 0.00 C ATOM 224 CD GLN A 16 36.351 4.925 4.192 1.00 0.00 C ATOM 225 OE1 GLN A 16 37.122 4.982 3.112 1.00 0.00 O flip ATOM 226 NE2 GLN A 16 36.211 5.877 4.959 1.00 0.00 N flip ATOM 0 H GLN A 16 32.836 2.024 3.410 1.00 0.00 H new ATOM 0 HA GLN A 16 32.515 4.681 3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 16 33.965 4.617 5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 16 33.734 2.893 5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 16 36.058 3.136 5.328 1.00 0.00 H new ATOM 0 HG3 GLN A 16 35.819 2.938 3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 16 35.608 5.788 5.777 1.00 0.00 H new ATOM 0 HE22 GLN A 16 36.698 6.755 4.777 1.00 0.00 H new ATOM 235 N MET A 17 35.024 4.020 1.555 1.00 0.00 N ATOM 236 CA MET A 17 35.920 4.594 0.558 1.00 0.00 C ATOM 237 C MET A 17 35.142 5.239 -0.584 1.00 0.00 C ATOM 238 O MET A 17 35.556 6.264 -1.124 1.00 0.00 O ATOM 239 CB MET A 17 36.849 3.513 0.003 1.00 0.00 C ATOM 240 CG MET A 17 38.109 4.064 -0.645 1.00 0.00 C ATOM 241 SD MET A 17 38.661 3.071 -2.046 1.00 0.00 S ATOM 242 CE MET A 17 37.393 3.456 -3.252 1.00 0.00 C ATOM 0 H MET A 17 35.040 3.001 1.599 1.00 0.00 H new ATOM 0 HA MET A 17 36.511 5.368 1.047 1.00 0.00 H new ATOM 0 HB2 MET A 17 37.132 2.839 0.812 1.00 0.00 H new ATOM 0 HB3 MET A 17 36.304 2.919 -0.731 1.00 0.00 H new ATOM 0 HG2 MET A 17 37.925 5.085 -0.979 1.00 0.00 H new ATOM 0 HG3 MET A 17 38.905 4.110 0.098 1.00 0.00 H new ATOM 0 HE1 MET A 17 37.772 3.257 -4.254 1.00 0.00 H new ATOM 0 HE2 MET A 17 36.515 2.837 -3.067 1.00 0.00 H new ATOM 0 HE3 MET A 17 37.120 4.508 -3.169 1.00 0.00 H new ATOM 252 N LEU A 18 34.026 4.632 -0.962 1.00 0.00 N ATOM 253 CA LEU A 18 33.215 5.156 -2.058 1.00 0.00 C ATOM 254 C LEU A 18 32.570 6.505 -1.720 1.00 0.00 C ATOM 255 O LEU A 18 32.760 7.487 -2.437 1.00 0.00 O ATOM 256 CB LEU A 18 32.130 4.148 -2.437 1.00 0.00 C ATOM 257 CG LEU A 18 32.529 3.150 -3.525 1.00 0.00 C ATOM 258 CD1 LEU A 18 32.027 1.755 -3.181 1.00 0.00 C ATOM 259 CD2 LEU A 18 31.992 3.594 -4.878 1.00 0.00 C ATOM 0 H LEU A 18 33.661 3.782 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 18 33.886 5.317 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 18 31.842 3.593 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.248 4.694 -2.771 1.00 0.00 H new ATOM 0 HG LEU A 18 33.617 3.118 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 18 32.320 1.059 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.460 1.436 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 18 30.940 1.770 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 18 32.285 2.872 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 18 30.905 3.655 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.401 4.573 -5.128 1.00 0.00 H new ATOM 271 N SER A 19 31.779 6.534 -0.651 1.00 0.00 N ATOM 272 CA SER A 19 31.070 7.749 -0.249 1.00 0.00 C ATOM 273 C SER A 19 31.956 8.729 0.517 1.00 0.00 C ATOM 274 O SER A 19 31.495 9.800 0.911 1.00 0.00 O ATOM 275 CB SER A 19 29.851 7.386 0.601 1.00 0.00 C ATOM 276 OG SER A 19 30.076 6.197 1.339 1.00 0.00 O ATOM 0 H SER A 19 31.612 5.730 -0.046 1.00 0.00 H new ATOM 0 HA SER A 19 30.756 8.248 -1.166 1.00 0.00 H new ATOM 0 HB2 SER A 19 29.625 8.204 1.285 1.00 0.00 H new ATOM 0 HB3 SER A 19 28.981 7.258 -0.043 1.00 0.00 H new ATOM 0 HG SER A 19 29.282 5.989 1.875 1.00 0.00 H new ATOM 282 N MET A 20 33.217 8.377 0.731 1.00 0.00 N ATOM 283 CA MET A 20 34.126 9.261 1.455 1.00 0.00 C ATOM 284 C MET A 20 35.002 10.049 0.488 1.00 0.00 C ATOM 285 O MET A 20 36.067 10.542 0.858 1.00 0.00 O ATOM 286 CB MET A 20 35.000 8.461 2.422 1.00 0.00 C ATOM 287 CG MET A 20 35.929 9.326 3.259 1.00 0.00 C ATOM 288 SD MET A 20 35.551 9.245 5.020 1.00 0.00 S ATOM 289 CE MET A 20 34.658 10.782 5.242 1.00 0.00 C ATOM 0 H MET A 20 33.631 7.499 0.419 1.00 0.00 H new ATOM 0 HA MET A 20 33.523 9.965 2.028 1.00 0.00 H new ATOM 0 HB2 MET A 20 34.358 7.884 3.087 1.00 0.00 H new ATOM 0 HB3 MET A 20 35.596 7.746 1.854 1.00 0.00 H new ATOM 0 HG2 MET A 20 36.959 9.009 3.097 1.00 0.00 H new ATOM 0 HG3 MET A 20 35.858 10.360 2.923 1.00 0.00 H new ATOM 0 HE1 MET A 20 34.355 10.879 6.284 1.00 0.00 H new ATOM 0 HE2 MET A 20 35.302 11.619 4.972 1.00 0.00 H new ATOM 0 HE3 MET A 20 33.773 10.784 4.605 1.00 0.00 H new ATOM 299 N GLY A 21 34.548 10.166 -0.755 1.00 0.00 N ATOM 300 CA GLY A 21 35.312 10.895 -1.751 1.00 0.00 C ATOM 301 C GLY A 21 36.618 10.200 -2.068 1.00 0.00 C ATOM 302 O GLY A 21 37.661 10.839 -2.207 1.00 0.00 O ATOM 0 H GLY A 21 33.669 9.771 -1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.722 10.995 -2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 21 35.514 11.903 -1.390 1.00 0.00 H new ATOM 306 N PHE A 22 36.545 8.884 -2.185 1.00 0.00 N ATOM 307 CA PHE A 22 37.703 8.077 -2.492 1.00 0.00 C ATOM 308 C PHE A 22 37.317 7.018 -3.501 1.00 0.00 C ATOM 309 O PHE A 22 36.187 6.529 -3.496 1.00 0.00 O ATOM 310 CB PHE A 22 38.265 7.434 -1.221 1.00 0.00 C ATOM 311 CG PHE A 22 38.881 8.423 -0.271 1.00 0.00 C ATOM 312 CD1 PHE A 22 39.795 9.362 -0.723 1.00 0.00 C ATOM 313 CD2 PHE A 22 38.544 8.413 1.072 1.00 0.00 C ATOM 314 CE1 PHE A 22 40.360 10.273 0.150 1.00 0.00 C ATOM 315 CE2 PHE A 22 39.107 9.322 1.950 1.00 0.00 C ATOM 316 CZ PHE A 22 40.016 10.252 1.487 1.00 0.00 C ATOM 0 H PHE A 22 35.683 8.352 -2.069 1.00 0.00 H new ATOM 0 HA PHE A 22 38.482 8.711 -2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 22 37.464 6.900 -0.709 1.00 0.00 H new ATOM 0 HB3 PHE A 22 39.015 6.693 -1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 22 40.068 9.382 -1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 22 37.833 7.687 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 22 41.070 11.001 -0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 22 38.836 9.304 2.995 1.00 0.00 H new ATOM 0 HZ PHE A 22 40.458 10.963 2.170 1.00 0.00 H new ATOM 326 N SER A 23 38.247 6.661 -4.360 1.00 0.00 N ATOM 327 CA SER A 23 37.983 5.653 -5.362 1.00 0.00 C ATOM 328 C SER A 23 39.242 4.837 -5.613 1.00 0.00 C ATOM 329 O SER A 23 40.286 5.110 -5.022 1.00 0.00 O ATOM 330 CB SER A 23 37.511 6.307 -6.661 1.00 0.00 C ATOM 331 OG SER A 23 36.633 7.389 -6.397 1.00 0.00 O ATOM 0 H SER A 23 39.189 7.052 -4.385 1.00 0.00 H new ATOM 0 HA SER A 23 37.195 4.992 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 23 38.372 6.663 -7.227 1.00 0.00 H new ATOM 0 HB3 SER A 23 37.005 5.567 -7.282 1.00 0.00 H new ATOM 0 HG SER A 23 36.346 7.792 -7.243 1.00 0.00 H new ATOM 337 N ASP A 24 39.161 3.846 -6.493 1.00 0.00 N ATOM 338 CA ASP A 24 40.330 3.035 -6.795 1.00 0.00 C ATOM 339 C ASP A 24 41.103 3.638 -7.961 1.00 0.00 C ATOM 340 O ASP A 24 40.606 3.691 -9.086 1.00 0.00 O ATOM 341 CB ASP A 24 39.916 1.600 -7.133 1.00 0.00 C ATOM 342 CG ASP A 24 38.636 1.540 -7.947 1.00 0.00 C ATOM 343 OD1 ASP A 24 38.701 1.769 -9.173 1.00 0.00 O ATOM 344 OD2 ASP A 24 37.570 1.263 -7.357 1.00 0.00 O ATOM 0 H ASP A 24 38.314 3.589 -7.001 1.00 0.00 H new ATOM 0 HA ASP A 24 40.971 3.017 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 24 40.719 1.115 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 24 39.782 1.037 -6.209 1.00 0.00 H new ATOM 349 N GLU A 25 42.314 4.107 -7.682 1.00 0.00 N ATOM 350 CA GLU A 25 43.140 4.725 -8.714 1.00 0.00 C ATOM 351 C GLU A 25 44.114 3.723 -9.322 1.00 0.00 C ATOM 352 O GLU A 25 45.297 4.019 -9.491 1.00 0.00 O ATOM 353 CB GLU A 25 43.907 5.919 -8.140 1.00 0.00 C ATOM 354 CG GLU A 25 44.590 6.767 -9.201 1.00 0.00 C ATOM 355 CD GLU A 25 45.588 7.747 -8.614 1.00 0.00 C ATOM 356 OE1 GLU A 25 46.653 7.297 -8.141 1.00 0.00 O ATOM 357 OE2 GLU A 25 45.305 8.963 -8.629 1.00 0.00 O ATOM 0 H GLU A 25 42.744 4.072 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 25 42.476 5.073 -9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 25 43.218 6.545 -7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 25 44.657 5.555 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 25 45.101 6.114 -9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 25 43.835 7.317 -9.763 1.00 0.00 H new ATOM 364 N GLY A 26 43.613 2.538 -9.650 1.00 0.00 N ATOM 365 CA GLY A 26 44.460 1.514 -10.237 1.00 0.00 C ATOM 366 C GLY A 26 44.016 0.100 -9.890 1.00 0.00 C ATOM 367 O GLY A 26 44.608 -0.869 -10.366 1.00 0.00 O ATOM 0 H GLY A 26 42.638 2.267 -9.521 1.00 0.00 H new ATOM 0 HA2 GLY A 26 44.464 1.631 -11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.485 1.660 -9.897 1.00 0.00 H new ATOM 371 N GLY A 27 42.981 -0.026 -9.062 1.00 0.00 N ATOM 372 CA GLY A 27 42.494 -1.337 -8.679 1.00 0.00 C ATOM 373 C GLY A 27 43.184 -1.863 -7.438 1.00 0.00 C ATOM 374 O GLY A 27 43.328 -3.072 -7.264 1.00 0.00 O ATOM 0 H GLY A 27 42.473 0.757 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 27 41.420 -1.286 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 27 42.648 -2.035 -9.502 1.00 0.00 H new ATOM 378 N TRP A 28 43.613 -0.947 -6.576 1.00 0.00 N ATOM 379 CA TRP A 28 44.294 -1.314 -5.342 1.00 0.00 C ATOM 380 C TRP A 28 43.325 -1.369 -4.171 1.00 0.00 C ATOM 381 O TRP A 28 43.485 -2.183 -3.272 1.00 0.00 O ATOM 382 CB TRP A 28 45.406 -0.317 -5.032 1.00 0.00 C ATOM 383 CG TRP A 28 44.951 1.099 -5.156 1.00 0.00 C ATOM 384 CD1 TRP A 28 45.222 1.951 -6.182 1.00 0.00 C ATOM 385 CD2 TRP A 28 44.126 1.827 -4.234 1.00 0.00 C ATOM 386 NE1 TRP A 28 44.620 3.160 -5.960 1.00 0.00 N ATOM 387 CE2 TRP A 28 43.941 3.113 -4.772 1.00 0.00 C ATOM 388 CE3 TRP A 28 43.526 1.520 -3.009 1.00 0.00 C ATOM 389 CZ2 TRP A 28 43.181 4.087 -4.132 1.00 0.00 C ATOM 390 CZ3 TRP A 28 42.772 2.487 -2.373 1.00 0.00 C ATOM 391 CH2 TRP A 28 42.604 3.758 -2.937 1.00 0.00 C ATOM 0 H TRP A 28 43.500 0.058 -6.711 1.00 0.00 H new ATOM 0 HA TRP A 28 44.723 -2.306 -5.486 1.00 0.00 H new ATOM 0 HB2 TRP A 28 45.774 -0.490 -4.021 1.00 0.00 H new ATOM 0 HB3 TRP A 28 46.243 -0.488 -5.709 1.00 0.00 H new ATOM 0 HD1 TRP A 28 45.824 1.709 -7.045 1.00 0.00 H new ATOM 0 HE1 TRP A 28 44.669 3.968 -6.581 1.00 0.00 H new ATOM 0 HE3 TRP A 28 43.650 0.542 -2.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 43.051 5.068 -4.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 42.305 2.259 -1.426 1.00 0.00 H new ATOM 0 HH2 TRP A 28 42.007 4.493 -2.418 1.00 0.00 H new ATOM 402 N LEU A 29 42.319 -0.498 -4.169 1.00 0.00 N ATOM 403 CA LEU A 29 41.355 -0.483 -3.075 1.00 0.00 C ATOM 404 C LEU A 29 41.050 -1.906 -2.634 1.00 0.00 C ATOM 405 O LEU A 29 41.391 -2.308 -1.527 1.00 0.00 O ATOM 406 CB LEU A 29 40.075 0.250 -3.490 1.00 0.00 C ATOM 407 CG LEU A 29 38.781 -0.292 -2.879 1.00 0.00 C ATOM 408 CD1 LEU A 29 38.802 -0.136 -1.365 1.00 0.00 C ATOM 409 CD2 LEU A 29 37.573 0.417 -3.474 1.00 0.00 C ATOM 0 H LEU A 29 42.152 0.195 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 29 41.787 0.056 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 29 40.173 1.301 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 29 39.989 0.209 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 29 38.705 -1.354 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 29 37.874 -0.526 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 29 39.647 -0.689 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.900 0.919 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 29 36.661 0.019 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 29 37.641 1.485 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 29 37.550 0.255 -4.552 1.00 0.00 H new ATOM 421 N THR A 30 40.413 -2.665 -3.511 1.00 0.00 N ATOM 422 CA THR A 30 40.072 -4.050 -3.206 1.00 0.00 C ATOM 423 C THR A 30 41.314 -4.946 -3.219 1.00 0.00 C ATOM 424 O THR A 30 41.268 -6.080 -2.742 1.00 0.00 O ATOM 425 CB THR A 30 39.044 -4.581 -4.208 1.00 0.00 C ATOM 426 OG1 THR A 30 39.132 -5.990 -4.315 1.00 0.00 O ATOM 427 CG2 THR A 30 39.207 -4.006 -5.597 1.00 0.00 C ATOM 0 H THR A 30 40.122 -2.350 -4.436 1.00 0.00 H new ATOM 0 HA THR A 30 39.643 -4.070 -2.204 1.00 0.00 H new ATOM 0 HB THR A 30 38.075 -4.272 -3.817 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.715 -6.336 -3.608 1.00 0.00 H new ATOM 0 HG21 THR A 30 38.446 -4.425 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.096 -2.922 -5.558 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.196 -4.256 -5.980 1.00 0.00 H new ATOM 435 N ARG A 31 42.420 -4.441 -3.769 1.00 0.00 N ATOM 436 CA ARG A 31 43.659 -5.218 -3.840 1.00 0.00 C ATOM 437 C ARG A 31 44.605 -4.905 -2.678 1.00 0.00 C ATOM 438 O ARG A 31 44.851 -5.761 -1.829 1.00 0.00 O ATOM 439 CB ARG A 31 44.375 -4.960 -5.166 1.00 0.00 C ATOM 440 CG ARG A 31 44.121 -6.027 -6.219 1.00 0.00 C ATOM 441 CD ARG A 31 42.662 -6.446 -6.250 1.00 0.00 C ATOM 442 NE ARG A 31 42.485 -7.849 -5.889 1.00 0.00 N ATOM 443 CZ ARG A 31 41.409 -8.558 -6.213 1.00 0.00 C ATOM 444 NH1 ARG A 31 40.435 -7.996 -6.914 1.00 0.00 N ATOM 445 NH2 ARG A 31 41.307 -9.827 -5.843 1.00 0.00 N ATOM 0 H ARG A 31 42.484 -3.505 -4.169 1.00 0.00 H new ATOM 0 HA ARG A 31 43.380 -6.269 -3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 31 44.057 -3.994 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 31 45.447 -4.893 -4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 31 44.412 -5.649 -7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 31 44.746 -6.897 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 31 42.091 -5.821 -5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 31 42.258 -6.275 -7.248 1.00 0.00 H new ATOM 0 HE ARG A 31 43.226 -8.309 -5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 31 40.512 -7.021 -7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 31 39.608 -8.538 -7.164 1.00 0.00 H new ATOM 0 HH21 ARG A 31 42.057 -10.264 -5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 31 40.479 -10.367 -6.094 1.00 0.00 H new ATOM 459 N LEU A 32 45.141 -3.682 -2.648 1.00 0.00 N ATOM 460 CA LEU A 32 46.064 -3.285 -1.589 1.00 0.00 C ATOM 461 C LEU A 32 45.484 -3.583 -0.212 1.00 0.00 C ATOM 462 O LEU A 32 46.222 -3.854 0.733 1.00 0.00 O ATOM 463 CB LEU A 32 46.425 -1.796 -1.704 1.00 0.00 C ATOM 464 CG LEU A 32 45.338 -0.797 -1.276 1.00 0.00 C ATOM 465 CD1 LEU A 32 45.030 -0.904 0.208 1.00 0.00 C ATOM 466 CD2 LEU A 32 45.774 0.620 -1.596 1.00 0.00 C ATOM 0 H LEU A 32 44.952 -2.957 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 32 46.974 -3.872 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 32 47.315 -1.612 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 32 46.692 -1.588 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 32 44.433 -1.041 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 32 44.257 -0.182 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 32 44.679 -1.911 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.932 -0.696 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.996 1.318 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.697 0.846 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 32 45.943 0.715 -2.669 1.00 0.00 H new ATOM 478 N LEU A 33 44.159 -3.548 -0.111 1.00 0.00 N ATOM 479 CA LEU A 33 43.484 -3.829 1.153 1.00 0.00 C ATOM 480 C LEU A 33 43.911 -5.199 1.664 1.00 0.00 C ATOM 481 O LEU A 33 44.378 -5.343 2.792 1.00 0.00 O ATOM 482 CB LEU A 33 41.966 -3.782 0.965 1.00 0.00 C ATOM 483 CG LEU A 33 41.256 -2.619 1.659 1.00 0.00 C ATOM 484 CD1 LEU A 33 41.729 -1.286 1.102 1.00 0.00 C ATOM 485 CD2 LEU A 33 39.749 -2.755 1.510 1.00 0.00 C ATOM 0 H LEU A 33 43.533 -3.329 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 33 43.763 -3.071 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 33 41.750 -3.733 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 33 41.542 -4.716 1.333 1.00 0.00 H new ATOM 0 HG LEU A 33 41.505 -2.650 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 33 41.210 -0.474 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 33 42.803 -1.186 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 33 41.514 -1.241 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 33 39.257 -1.920 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 33 39.486 -2.751 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 33 39.422 -3.691 1.962 1.00 0.00 H new ATOM 497 N GLN A 34 43.748 -6.195 0.806 1.00 0.00 N ATOM 498 CA GLN A 34 44.115 -7.571 1.121 1.00 0.00 C ATOM 499 C GLN A 34 45.457 -7.631 1.852 1.00 0.00 C ATOM 500 O GLN A 34 45.556 -8.194 2.942 1.00 0.00 O ATOM 501 CB GLN A 34 44.191 -8.363 -0.175 1.00 0.00 C ATOM 502 CG GLN A 34 43.056 -9.355 -0.353 1.00 0.00 C ATOM 503 CD GLN A 34 41.881 -8.763 -1.107 1.00 0.00 C ATOM 504 OE1 GLN A 34 41.420 -7.600 -0.663 1.00 0.00 O flip ATOM 505 NE2 GLN A 34 41.398 -9.341 -2.079 1.00 0.00 N flip ATOM 0 H GLN A 34 43.358 -6.074 -0.129 1.00 0.00 H new ATOM 0 HA GLN A 34 43.360 -7.999 1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 34 44.190 -7.669 -1.015 1.00 0.00 H new ATOM 0 HB3 GLN A 34 45.139 -8.900 -0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 34 43.423 -10.230 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 34 42.720 -9.698 0.626 1.00 0.00 H new ATOM 0 HE21 GLN A 34 41.785 -10.234 -2.385 1.00 0.00 H new ATOM 0 HE22 GLN A 34 40.611 -8.928 -2.579 1.00 0.00 H new ATOM 514 N THR A 35 46.482 -7.026 1.249 1.00 0.00 N ATOM 515 CA THR A 35 47.820 -6.984 1.843 1.00 0.00 C ATOM 516 C THR A 35 47.875 -5.960 2.979 1.00 0.00 C ATOM 517 O THR A 35 48.903 -5.783 3.634 1.00 0.00 O ATOM 518 CB THR A 35 48.865 -6.648 0.780 1.00 0.00 C ATOM 519 OG1 THR A 35 48.472 -7.150 -0.485 1.00 0.00 O ATOM 520 CG2 THR A 35 50.235 -7.208 1.092 1.00 0.00 C ATOM 0 H THR A 35 46.411 -6.557 0.346 1.00 0.00 H new ATOM 0 HA THR A 35 48.042 -7.969 2.254 1.00 0.00 H new ATOM 0 HB THR A 35 48.929 -5.560 0.770 1.00 0.00 H new ATOM 0 HG1 THR A 35 49.153 -6.924 -1.153 1.00 0.00 H new ATOM 0 HG21 THR A 35 50.930 -6.934 0.298 1.00 0.00 H new ATOM 0 HG22 THR A 35 50.587 -6.801 2.040 1.00 0.00 H new ATOM 0 HG23 THR A 35 50.176 -8.294 1.163 1.00 0.00 H new ATOM 528 N LYS A 36 46.741 -5.318 3.211 1.00 0.00 N ATOM 529 CA LYS A 36 46.602 -4.335 4.267 1.00 0.00 C ATOM 530 C LYS A 36 45.460 -4.740 5.185 1.00 0.00 C ATOM 531 O LYS A 36 44.879 -3.909 5.885 1.00 0.00 O ATOM 532 CB LYS A 36 46.345 -2.949 3.679 1.00 0.00 C ATOM 533 CG LYS A 36 47.523 -2.002 3.828 1.00 0.00 C ATOM 534 CD LYS A 36 48.325 -1.896 2.541 1.00 0.00 C ATOM 535 CE LYS A 36 49.360 -0.786 2.625 1.00 0.00 C ATOM 536 NZ LYS A 36 50.133 -0.645 1.360 1.00 0.00 N ATOM 0 H LYS A 36 45.890 -5.466 2.669 1.00 0.00 H new ATOM 0 HA LYS A 36 47.528 -4.293 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 36 46.102 -3.051 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 36 45.473 -2.512 4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 36 47.162 -1.014 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 36 48.170 -2.350 4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 36 48.822 -2.845 2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 36 47.652 -1.706 1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 36 48.862 0.157 2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 36 50.045 -0.991 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 50.827 0.123 1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 50.629 -1.536 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 49.483 -0.423 0.579 1.00 0.00 H new ATOM 550 N ASN A 37 45.141 -6.032 5.166 1.00 0.00 N ATOM 551 CA ASN A 37 44.066 -6.569 5.985 1.00 0.00 C ATOM 552 C ASN A 37 42.770 -5.813 5.719 1.00 0.00 C ATOM 553 O ASN A 37 42.048 -5.449 6.647 1.00 0.00 O ATOM 554 CB ASN A 37 44.437 -6.484 7.468 1.00 0.00 C ATOM 555 CG ASN A 37 43.275 -6.823 8.384 1.00 0.00 C ATOM 556 OD1 ASN A 37 42.676 -5.798 8.979 1.00 0.00 O flip ATOM 557 ND2 ASN A 37 42.920 -7.990 8.552 1.00 0.00 N flip ATOM 0 H ASN A 37 45.616 -6.726 4.589 1.00 0.00 H new ATOM 0 HA ASN A 37 43.917 -7.616 5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 37 45.264 -7.164 7.671 1.00 0.00 H new ATOM 0 HB3 ASN A 37 44.790 -5.477 7.693 1.00 0.00 H new ATOM 0 HD21 ASN A 37 43.410 -8.746 8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 37 42.136 -8.201 9.169 1.00 0.00 H new ATOM 564 N TYR A 38 42.474 -5.565 4.446 1.00 0.00 N ATOM 565 CA TYR A 38 41.264 -4.845 4.096 1.00 0.00 C ATOM 566 C TYR A 38 41.124 -3.616 4.972 1.00 0.00 C ATOM 567 O TYR A 38 40.212 -3.530 5.794 1.00 0.00 O ATOM 568 CB TYR A 38 40.039 -5.745 4.263 1.00 0.00 C ATOM 569 CG TYR A 38 40.010 -6.921 3.314 1.00 0.00 C ATOM 570 CD1 TYR A 38 39.513 -6.784 2.025 1.00 0.00 C ATOM 571 CD2 TYR A 38 40.478 -8.168 3.707 1.00 0.00 C ATOM 572 CE1 TYR A 38 39.483 -7.856 1.154 1.00 0.00 C ATOM 573 CE2 TYR A 38 40.452 -9.245 2.843 1.00 0.00 C ATOM 574 CZ TYR A 38 39.954 -9.084 1.568 1.00 0.00 C ATOM 575 OH TYR A 38 39.924 -10.155 0.704 1.00 0.00 O ATOM 0 H TYR A 38 43.049 -5.849 3.653 1.00 0.00 H new ATOM 0 HA TYR A 38 41.331 -4.537 3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 38 40.010 -6.116 5.287 1.00 0.00 H new ATOM 0 HB3 TYR A 38 39.139 -5.148 4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 38 39.144 -5.823 1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 38 40.869 -8.298 4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 38 39.093 -7.733 0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 38 40.820 -10.208 3.165 1.00 0.00 H new ATOM 0 HH TYR A 38 40.293 -10.946 1.150 1.00 0.00 H new ATOM 585 N ASP A 39 42.042 -2.667 4.813 1.00 0.00 N ATOM 586 CA ASP A 39 42.000 -1.459 5.629 1.00 0.00 C ATOM 587 C ASP A 39 41.939 -0.185 4.801 1.00 0.00 C ATOM 588 O ASP A 39 42.621 -0.039 3.788 1.00 0.00 O ATOM 589 CB ASP A 39 43.192 -1.406 6.593 1.00 0.00 C ATOM 590 CG ASP A 39 44.530 -1.287 5.887 1.00 0.00 C ATOM 591 OD1 ASP A 39 44.571 -0.737 4.769 1.00 0.00 O ATOM 592 OD2 ASP A 39 45.542 -1.742 6.460 1.00 0.00 O ATOM 0 H ASP A 39 42.809 -2.708 4.141 1.00 0.00 H new ATOM 0 HA ASP A 39 41.075 -1.512 6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.068 -0.558 7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.193 -2.305 7.209 1.00 0.00 H new ATOM 597 N ILE A 40 41.120 0.744 5.275 1.00 0.00 N ATOM 598 CA ILE A 40 40.964 2.034 4.632 1.00 0.00 C ATOM 599 C ILE A 40 42.104 2.921 5.064 1.00 0.00 C ATOM 600 O ILE A 40 42.497 3.851 4.361 1.00 0.00 O ATOM 601 CB ILE A 40 39.640 2.729 5.005 1.00 0.00 C ATOM 602 CG1 ILE A 40 39.222 2.368 6.434 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.548 2.368 4.015 1.00 0.00 C ATOM 604 CD1 ILE A 40 38.406 1.096 6.528 1.00 0.00 C ATOM 0 H ILE A 40 40.549 0.622 6.112 1.00 0.00 H new ATOM 0 HA ILE A 40 40.959 1.868 3.555 1.00 0.00 H new ATOM 0 HB ILE A 40 39.795 3.807 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 40 40.116 2.262 7.048 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.644 3.192 6.853 1.00 0.00 H new ATOM 0 HG21 ILE A 40 37.622 2.869 4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 40 38.843 2.686 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 40 38.393 1.289 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 40 38.147 0.906 7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 40 37.494 1.205 5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 40 38.989 0.260 6.140 1.00 0.00 H new ATOM 616 N GLY A 41 42.642 2.608 6.238 1.00 0.00 N ATOM 617 CA GLY A 41 43.742 3.368 6.755 1.00 0.00 C ATOM 618 C GLY A 41 44.750 3.648 5.677 1.00 0.00 C ATOM 619 O GLY A 41 45.043 4.800 5.355 1.00 0.00 O ATOM 0 H GLY A 41 42.330 1.841 6.833 1.00 0.00 H new ATOM 0 HA2 GLY A 41 43.377 4.307 7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 41 44.217 2.821 7.570 1.00 0.00 H new ATOM 623 N ALA A 42 45.263 2.575 5.106 1.00 0.00 N ATOM 624 CA ALA A 42 46.232 2.668 4.031 1.00 0.00 C ATOM 625 C ALA A 42 45.557 3.145 2.760 1.00 0.00 C ATOM 626 O ALA A 42 46.208 3.675 1.858 1.00 0.00 O ATOM 627 CB ALA A 42 46.915 1.329 3.814 1.00 0.00 C ATOM 0 H ALA A 42 45.022 1.620 5.372 1.00 0.00 H new ATOM 0 HA ALA A 42 46.996 3.395 4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 42 47.639 1.417 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 42 47.428 1.030 4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.169 0.578 3.554 1.00 0.00 H new ATOM 633 N ALA A 43 44.241 2.992 2.711 1.00 0.00 N ATOM 634 CA ALA A 43 43.478 3.453 1.562 1.00 0.00 C ATOM 635 C ALA A 43 43.679 4.955 1.415 1.00 0.00 C ATOM 636 O ALA A 43 44.315 5.414 0.466 1.00 0.00 O ATOM 637 CB ALA A 43 42.001 3.103 1.715 1.00 0.00 C ATOM 0 H ALA A 43 43.685 2.556 3.447 1.00 0.00 H new ATOM 0 HA ALA A 43 43.832 2.953 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 43 41.451 3.458 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 43 41.890 2.022 1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 43 41.605 3.579 2.612 1.00 0.00 H new ATOM 643 N LEU A 44 43.179 5.714 2.395 1.00 0.00 N ATOM 644 CA LEU A 44 43.333 7.170 2.410 1.00 0.00 C ATOM 645 C LEU A 44 44.757 7.571 2.026 1.00 0.00 C ATOM 646 O LEU A 44 45.001 8.693 1.582 1.00 0.00 O ATOM 647 CB LEU A 44 43.003 7.722 3.799 1.00 0.00 C ATOM 648 CG LEU A 44 41.574 8.241 3.972 1.00 0.00 C ATOM 649 CD1 LEU A 44 40.579 7.094 3.898 1.00 0.00 C ATOM 650 CD2 LEU A 44 41.437 8.988 5.291 1.00 0.00 C ATOM 0 H LEU A 44 42.662 5.341 3.191 1.00 0.00 H new ATOM 0 HA LEU A 44 42.642 7.590 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 44 43.179 6.938 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 44 43.696 8.532 4.024 1.00 0.00 H new ATOM 0 HG LEU A 44 41.356 8.935 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 44 39.568 7.481 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 44 40.662 6.602 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 44 40.793 6.375 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 44 40.415 9.351 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 44 41.673 8.316 6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 44 42.125 9.833 5.304 1.00 0.00 H new ATOM 662 N ASP A 45 45.689 6.635 2.187 1.00 0.00 N ATOM 663 CA ASP A 45 47.083 6.874 1.847 1.00 0.00 C ATOM 664 C ASP A 45 47.275 6.874 0.330 1.00 0.00 C ATOM 665 O ASP A 45 47.959 7.733 -0.224 1.00 0.00 O ATOM 666 CB ASP A 45 47.967 5.797 2.481 1.00 0.00 C ATOM 667 CG ASP A 45 49.414 6.230 2.612 1.00 0.00 C ATOM 668 OD1 ASP A 45 49.660 7.445 2.748 1.00 0.00 O ATOM 669 OD2 ASP A 45 50.301 5.351 2.580 1.00 0.00 O ATOM 0 H ASP A 45 45.500 5.702 2.552 1.00 0.00 H new ATOM 0 HA ASP A 45 47.370 7.851 2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 45 47.576 5.546 3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 45 47.917 4.890 1.878 1.00 0.00 H new ATOM 674 N THR A 46 46.692 5.874 -0.324 1.00 0.00 N ATOM 675 CA THR A 46 46.822 5.719 -1.772 1.00 0.00 C ATOM 676 C THR A 46 45.661 6.332 -2.566 1.00 0.00 C ATOM 677 O THR A 46 45.769 6.487 -3.781 1.00 0.00 O ATOM 678 CB THR A 46 46.948 4.235 -2.122 1.00 0.00 C ATOM 679 OG1 THR A 46 45.707 3.574 -1.951 1.00 0.00 O ATOM 680 CG2 THR A 46 47.976 3.507 -1.281 1.00 0.00 C ATOM 0 H THR A 46 46.123 5.156 0.126 1.00 0.00 H new ATOM 0 HA THR A 46 47.720 6.266 -2.059 1.00 0.00 H new ATOM 0 HB THR A 46 47.270 4.209 -3.163 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.336 3.342 -2.828 1.00 0.00 H new ATOM 0 HG21 THR A 46 48.015 2.460 -1.580 1.00 0.00 H new ATOM 0 HG22 THR A 46 48.955 3.963 -1.428 1.00 0.00 H new ATOM 0 HG23 THR A 46 47.699 3.574 -0.229 1.00 0.00 H new ATOM 688 N ILE A 47 44.552 6.669 -1.909 1.00 0.00 N ATOM 689 CA ILE A 47 43.412 7.242 -2.633 1.00 0.00 C ATOM 690 C ILE A 47 43.630 8.708 -2.985 1.00 0.00 C ATOM 691 O ILE A 47 43.418 9.113 -4.128 1.00 0.00 O ATOM 692 CB ILE A 47 42.079 7.123 -1.866 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.202 6.170 -0.681 1.00 0.00 C ATOM 694 CG2 ILE A 47 40.977 6.664 -2.807 1.00 0.00 C ATOM 695 CD1 ILE A 47 40.867 5.680 -0.162 1.00 0.00 C ATOM 0 H ILE A 47 44.416 6.560 -0.904 1.00 0.00 H new ATOM 0 HA ILE A 47 43.345 6.648 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 47 41.824 8.107 -1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 47 42.806 5.312 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 47 42.735 6.673 0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 47 40.039 6.583 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 47 40.863 7.388 -3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 47 41.238 5.692 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 47 41.029 5.007 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 47 40.269 6.531 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.341 5.149 -0.955 1.00 0.00 H new ATOM 707 N GLN A 48 44.036 9.511 -2.006 1.00 0.00 N ATOM 708 CA GLN A 48 44.253 10.933 -2.249 1.00 0.00 C ATOM 709 C GLN A 48 44.730 11.655 -0.992 1.00 0.00 C ATOM 710 O GLN A 48 44.414 12.826 -0.783 1.00 0.00 O ATOM 711 CB GLN A 48 42.961 11.577 -2.755 1.00 0.00 C ATOM 712 CG GLN A 48 42.897 11.708 -4.269 1.00 0.00 C ATOM 713 CD GLN A 48 41.584 11.214 -4.846 1.00 0.00 C ATOM 714 OE1 GLN A 48 41.091 10.092 -4.332 1.00 0.00 O flip ATOM 715 NE2 GLN A 48 41.018 11.834 -5.747 1.00 0.00 N flip ATOM 0 H GLN A 48 44.219 9.207 -1.050 1.00 0.00 H new ATOM 0 HA GLN A 48 45.033 11.025 -3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 48 42.112 10.984 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 48 42.859 12.566 -2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 48 43.040 12.753 -4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 48 43.718 11.146 -4.713 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.431 12.692 -6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.136 11.490 -6.127 1.00 0.00 H new ATOM 724 N TYR A 49 45.491 10.955 -0.161 1.00 0.00 N ATOM 725 CA TYR A 49 46.011 11.539 1.070 1.00 0.00 C ATOM 726 C TYR A 49 47.162 10.707 1.624 1.00 0.00 C ATOM 727 O TYR A 49 46.972 9.882 2.517 1.00 0.00 O ATOM 728 CB TYR A 49 44.897 11.660 2.113 1.00 0.00 C ATOM 729 CG TYR A 49 43.838 12.680 1.752 1.00 0.00 C ATOM 730 CD1 TYR A 49 44.167 14.019 1.574 1.00 0.00 C ATOM 731 CD2 TYR A 49 42.511 12.304 1.587 1.00 0.00 C ATOM 732 CE1 TYR A 49 43.203 14.954 1.242 1.00 0.00 C ATOM 733 CE2 TYR A 49 41.541 13.231 1.253 1.00 0.00 C ATOM 734 CZ TYR A 49 41.892 14.555 1.083 1.00 0.00 C ATOM 735 OH TYR A 49 40.929 15.480 0.748 1.00 0.00 O ATOM 0 H TYR A 49 45.762 9.984 -0.316 1.00 0.00 H new ATOM 0 HA TYR A 49 46.389 12.535 0.840 1.00 0.00 H new ATOM 0 HB2 TYR A 49 44.423 10.687 2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 49 45.337 11.930 3.073 1.00 0.00 H new ATOM 0 HD1 TYR A 49 45.193 14.335 1.697 1.00 0.00 H new ATOM 0 HD2 TYR A 49 42.232 11.269 1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 49 43.475 15.991 1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 49 40.514 12.921 1.126 1.00 0.00 H new ATOM 0 HH TYR A 49 40.059 15.034 0.674 1.00 0.00 H new ATOM 745 N SER A 50 48.357 10.932 1.086 1.00 0.00 N ATOM 746 CA SER A 50 49.543 10.206 1.521 1.00 0.00 C ATOM 747 C SER A 50 50.498 11.132 2.272 1.00 0.00 C ATOM 748 O SER A 50 51.642 11.321 1.862 1.00 0.00 O ATOM 749 CB SER A 50 50.259 9.590 0.317 1.00 0.00 C ATOM 750 OG SER A 50 51.166 8.580 0.723 1.00 0.00 O ATOM 0 H SER A 50 48.529 11.613 0.346 1.00 0.00 H new ATOM 0 HA SER A 50 49.226 9.410 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 50 49.525 9.169 -0.370 1.00 0.00 H new ATOM 0 HB3 SER A 50 50.796 10.367 -0.227 1.00 0.00 H new ATOM 0 HG SER A 50 50.775 8.067 1.461 1.00 0.00 H new ATOM 756 N LYS A 51 50.021 11.705 3.373 1.00 0.00 N ATOM 757 CA LYS A 51 50.838 12.611 4.175 1.00 0.00 C ATOM 758 C LYS A 51 50.227 12.833 5.557 1.00 0.00 C ATOM 759 O LYS A 51 49.815 13.944 5.888 1.00 0.00 O ATOM 760 CB LYS A 51 51.002 13.952 3.459 1.00 0.00 C ATOM 761 CG LYS A 51 52.403 14.529 3.571 1.00 0.00 C ATOM 762 CD LYS A 51 53.414 13.676 2.825 1.00 0.00 C ATOM 763 CE LYS A 51 54.367 14.530 2.005 1.00 0.00 C ATOM 764 NZ LYS A 51 54.917 13.784 0.841 1.00 0.00 N ATOM 0 H LYS A 51 49.077 11.559 3.730 1.00 0.00 H new ATOM 0 HA LYS A 51 51.817 12.149 4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 51 50.752 13.826 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 51 50.289 14.666 3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 51 52.414 15.543 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 51 52.687 14.598 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 51 53.982 13.077 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 51 52.891 12.980 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 51 53.846 15.420 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 51 55.186 14.870 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 55.562 14.400 0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 55.436 12.948 1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 54.137 13.481 0.223 1.00 0.00 H new ATOM 778 N HIS A 52 50.183 11.767 6.358 1.00 0.00 N ATOM 779 CA HIS A 52 49.633 11.831 7.712 1.00 0.00 C ATOM 780 C HIS A 52 48.568 12.917 7.833 1.00 0.00 C ATOM 781 O HIS A 52 48.942 14.086 8.063 1.00 0.00 O ATOM 782 CB HIS A 52 50.751 12.083 8.727 1.00 0.00 C ATOM 783 CG HIS A 52 50.271 12.171 10.142 1.00 0.00 C ATOM 784 ND1 HIS A 52 50.133 11.082 10.975 1.00 0.00 N ATOM 785 CD2 HIS A 52 49.891 13.251 10.872 1.00 0.00 C ATOM 786 CE1 HIS A 52 49.683 11.525 12.157 1.00 0.00 C ATOM 787 NE2 HIS A 52 49.521 12.833 12.148 1.00 0.00 N ATOM 788 OXT HIS A 52 47.370 12.588 7.695 1.00 0.00 O ATOM 0 H HIS A 52 50.524 10.844 6.090 1.00 0.00 H new ATOM 0 HA HIS A 52 49.162 10.871 7.923 1.00 0.00 H new ATOM 0 HB2 HIS A 52 51.486 11.281 8.651 1.00 0.00 H new ATOM 0 HB3 HIS A 52 51.263 13.010 8.468 1.00 0.00 H new ATOM 0 HD2 HIS A 52 49.878 14.272 10.519 1.00 0.00 H new ATOM 0 HE1 HIS A 52 49.479 10.892 13.008 1.00 0.00 H new ATOM 0 HE2 HIS A 52 49.193 13.418 12.916 1.00 0.00 H new TER 796 HIS A 52