USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=14 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 16 GLN : amide:sc= -15.4! C(o=-22!,f=-32!) USER MOD Set 1.2: A 17 MET CE :methyl -134:sc= -6.91! (180deg=-7.21!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -68:sc= -4.88! USER MOD Single : A 13 SER OG : rot 88:sc= 0.974 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -140:sc= -0.557 (180deg=-2.84!) USER MOD Single : A 23 SER OG : rot -16:sc= 0.967 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.693 K(o=-0.69,f=0) USER MOD Single : A 35 THR OG1 : rot 45:sc= 0.513 USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= -0.985 (180deg=-1.01) USER MOD Single : A 37 ASN : amide:sc= -4.06! C(o=-4.1!,f=-5.2!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -61:sc= 0.895 USER MOD Single : A 48 GLN : amide:sc= -5.24! C(o=-5.2!,f=-7.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -63:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.554 -18.003 1.735 1.00 0.00 N ATOM 2 CA GLY A 1 29.936 -17.576 0.361 1.00 0.00 C ATOM 3 C GLY A 1 29.329 -16.240 -0.022 1.00 0.00 C ATOM 4 O GLY A 1 28.213 -16.184 -0.538 1.00 0.00 O ATOM 0 H1 GLY A 1 29.994 -18.921 1.948 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.881 -17.294 2.422 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.520 -18.093 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.022 -17.511 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.617 -18.335 -0.354 1.00 0.00 H new ATOM 10 N SER A 2 30.066 -15.164 0.230 1.00 0.00 N ATOM 11 CA SER A 2 29.595 -13.821 -0.091 1.00 0.00 C ATOM 12 C SER A 2 30.252 -13.308 -1.369 1.00 0.00 C ATOM 13 O SER A 2 31.339 -13.750 -1.740 1.00 0.00 O ATOM 14 CB SER A 2 29.887 -12.867 1.068 1.00 0.00 C ATOM 15 OG SER A 2 29.589 -11.529 0.717 1.00 0.00 O ATOM 0 H SER A 2 30.992 -15.195 0.656 1.00 0.00 H new ATOM 0 HA SER A 2 28.518 -13.866 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.298 -13.157 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.936 -12.946 1.352 1.00 0.00 H new ATOM 0 HG SER A 2 30.223 -11.221 0.036 1.00 0.00 H new ATOM 21 N PRO A 3 29.593 -12.367 -2.064 1.00 0.00 N ATOM 22 CA PRO A 3 30.097 -11.794 -3.301 1.00 0.00 C ATOM 23 C PRO A 3 30.893 -10.516 -3.068 1.00 0.00 C ATOM 24 O PRO A 3 30.526 -9.689 -2.233 1.00 0.00 O ATOM 25 CB PRO A 3 28.806 -11.490 -4.055 1.00 0.00 C ATOM 26 CG PRO A 3 27.809 -11.152 -2.989 1.00 0.00 C ATOM 27 CD PRO A 3 28.292 -11.785 -1.702 1.00 0.00 C ATOM 0 HA PRO A 3 30.786 -12.456 -3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 3 28.940 -10.660 -4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 3 28.480 -12.348 -4.643 1.00 0.00 H new ATOM 0 HG2 PRO A 3 27.720 -10.072 -2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 3 26.821 -11.528 -3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 3 28.391 -11.047 -0.906 1.00 0.00 H new ATOM 0 HD3 PRO A 3 27.598 -12.547 -1.346 1.00 0.00 H new ATOM 35 N PRO A 4 31.996 -10.338 -3.810 1.00 0.00 N ATOM 36 CA PRO A 4 32.847 -9.150 -3.687 1.00 0.00 C ATOM 37 C PRO A 4 32.071 -7.868 -3.967 1.00 0.00 C ATOM 38 O PRO A 4 32.263 -7.226 -4.999 1.00 0.00 O ATOM 39 CB PRO A 4 33.928 -9.364 -4.753 1.00 0.00 C ATOM 40 CG PRO A 4 33.918 -10.829 -5.024 1.00 0.00 C ATOM 41 CD PRO A 4 32.497 -11.274 -4.825 1.00 0.00 C ATOM 0 HA PRO A 4 33.249 -9.036 -2.680 1.00 0.00 H new ATOM 0 HB2 PRO A 4 33.710 -8.794 -5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 4 34.904 -9.035 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 4 34.255 -11.041 -6.039 1.00 0.00 H new ATOM 0 HG3 PRO A 4 34.591 -11.356 -4.348 1.00 0.00 H new ATOM 0 HD2 PRO A 4 31.922 -11.213 -5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 4 32.442 -12.307 -4.483 1.00 0.00 H new ATOM 49 N GLU A 5 31.188 -7.507 -3.041 1.00 0.00 N ATOM 50 CA GLU A 5 30.374 -6.308 -3.185 1.00 0.00 C ATOM 51 C GLU A 5 29.265 -6.287 -2.141 1.00 0.00 C ATOM 52 O GLU A 5 28.121 -6.623 -2.444 1.00 0.00 O ATOM 53 CB GLU A 5 29.765 -6.243 -4.588 1.00 0.00 C ATOM 54 CG GLU A 5 30.301 -5.100 -5.436 1.00 0.00 C ATOM 55 CD GLU A 5 29.302 -4.628 -6.476 1.00 0.00 C ATOM 56 OE1 GLU A 5 28.117 -5.008 -6.378 1.00 0.00 O ATOM 57 OE2 GLU A 5 29.708 -3.879 -7.390 1.00 0.00 O ATOM 0 H GLU A 5 31.019 -8.030 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 5 31.016 -5.440 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 5 29.957 -7.185 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 5 28.683 -6.142 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 5 30.567 -4.265 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 5 31.216 -5.420 -5.935 1.00 0.00 H new ATOM 64 N ALA A 6 29.628 -5.889 -0.918 1.00 0.00 N ATOM 65 CA ALA A 6 28.696 -5.803 0.213 1.00 0.00 C ATOM 66 C ALA A 6 29.083 -6.786 1.303 1.00 0.00 C ATOM 67 O ALA A 6 28.228 -7.318 2.011 1.00 0.00 O ATOM 68 CB ALA A 6 27.251 -6.030 -0.213 1.00 0.00 C ATOM 0 H ALA A 6 30.582 -5.616 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 6 28.766 -4.789 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 6 26.599 -5.957 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.965 -5.275 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 6 27.154 -7.021 -0.657 1.00 0.00 H new ATOM 74 N ASP A 7 30.382 -6.998 1.446 1.00 0.00 N ATOM 75 CA ASP A 7 30.907 -7.891 2.464 1.00 0.00 C ATOM 76 C ASP A 7 31.390 -7.063 3.638 1.00 0.00 C ATOM 77 O ASP A 7 31.759 -5.905 3.464 1.00 0.00 O ATOM 78 CB ASP A 7 32.054 -8.734 1.904 1.00 0.00 C ATOM 79 CG ASP A 7 31.601 -10.116 1.477 1.00 0.00 C ATOM 80 OD1 ASP A 7 31.234 -10.920 2.361 1.00 0.00 O ATOM 81 OD2 ASP A 7 31.612 -10.395 0.260 1.00 0.00 O ATOM 0 H ASP A 7 31.096 -6.559 0.864 1.00 0.00 H new ATOM 0 HA ASP A 7 30.119 -8.571 2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.496 -8.220 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.835 -8.828 2.659 1.00 0.00 H new ATOM 86 N PRO A 8 31.400 -7.630 4.846 1.00 0.00 N ATOM 87 CA PRO A 8 31.846 -6.919 6.032 1.00 0.00 C ATOM 88 C PRO A 8 32.940 -5.908 5.702 1.00 0.00 C ATOM 89 O PRO A 8 32.779 -4.708 5.915 1.00 0.00 O ATOM 90 CB PRO A 8 32.378 -8.054 6.900 1.00 0.00 C ATOM 91 CG PRO A 8 31.491 -9.216 6.573 1.00 0.00 C ATOM 92 CD PRO A 8 30.997 -9.010 5.157 1.00 0.00 C ATOM 0 HA PRO A 8 31.063 -6.330 6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.421 -8.273 6.673 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.329 -7.802 7.959 1.00 0.00 H new ATOM 0 HG2 PRO A 8 32.038 -10.155 6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 8 30.654 -9.271 7.269 1.00 0.00 H new ATOM 0 HD2 PRO A 8 31.448 -9.724 4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 8 29.917 -9.137 5.087 1.00 0.00 H new ATOM 100 N ARG A 9 34.050 -6.412 5.187 1.00 0.00 N ATOM 101 CA ARG A 9 35.197 -5.585 4.824 1.00 0.00 C ATOM 102 C ARG A 9 34.878 -4.551 3.736 1.00 0.00 C ATOM 103 O ARG A 9 35.525 -3.514 3.661 1.00 0.00 O ATOM 104 CB ARG A 9 36.319 -6.490 4.331 1.00 0.00 C ATOM 105 CG ARG A 9 36.973 -7.308 5.435 1.00 0.00 C ATOM 106 CD ARG A 9 36.034 -8.368 5.991 1.00 0.00 C ATOM 107 NE ARG A 9 36.767 -9.486 6.578 1.00 0.00 N ATOM 108 CZ ARG A 9 36.311 -10.223 7.588 1.00 0.00 C ATOM 109 NH1 ARG A 9 35.117 -9.979 8.109 1.00 0.00 N ATOM 110 NH2 ARG A 9 37.051 -11.210 8.074 1.00 0.00 N ATOM 0 H ARG A 9 34.184 -7.407 5.007 1.00 0.00 H new ATOM 0 HA ARG A 9 35.490 -5.031 5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 9 35.922 -7.168 3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.079 -5.879 3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.872 -7.787 5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.288 -6.644 6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 9 35.387 -7.921 6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 9 35.387 -8.735 5.194 1.00 0.00 H new ATOM 0 HE ARG A 9 37.682 -9.716 6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 9 34.543 -9.223 7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 9 34.773 -10.547 8.883 1.00 0.00 H new ATOM 0 HH21 ARG A 9 37.969 -11.404 7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 9 36.702 -11.775 8.848 1.00 0.00 H new ATOM 124 N LEU A 10 33.899 -4.841 2.890 1.00 0.00 N ATOM 125 CA LEU A 10 33.538 -3.934 1.813 1.00 0.00 C ATOM 126 C LEU A 10 32.391 -3.039 2.243 1.00 0.00 C ATOM 127 O LEU A 10 32.315 -1.880 1.847 1.00 0.00 O ATOM 128 CB LEU A 10 33.225 -4.716 0.539 1.00 0.00 C ATOM 129 CG LEU A 10 34.471 -5.241 -0.187 1.00 0.00 C ATOM 130 CD1 LEU A 10 35.289 -4.091 -0.753 1.00 0.00 C ATOM 131 CD2 LEU A 10 35.329 -6.071 0.758 1.00 0.00 C ATOM 0 H LEU A 10 33.343 -5.695 2.930 1.00 0.00 H new ATOM 0 HA LEU A 10 34.384 -3.285 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.580 -5.558 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 10 32.663 -4.075 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 10 34.140 -5.873 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 10 36.167 -4.486 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 10 34.682 -3.526 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 10 35.605 -3.435 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 10 36.208 -6.435 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 10 35.644 -5.454 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 10 34.750 -6.919 1.125 1.00 0.00 H new ATOM 143 N ILE A 11 31.552 -3.547 3.130 1.00 0.00 N ATOM 144 CA ILE A 11 30.488 -2.734 3.673 1.00 0.00 C ATOM 145 C ILE A 11 31.145 -1.718 4.597 1.00 0.00 C ATOM 146 O ILE A 11 30.626 -0.627 4.833 1.00 0.00 O ATOM 147 CB ILE A 11 29.443 -3.568 4.447 1.00 0.00 C ATOM 148 CG1 ILE A 11 28.157 -2.762 4.652 1.00 0.00 C ATOM 149 CG2 ILE A 11 30.004 -4.028 5.783 1.00 0.00 C ATOM 150 CD1 ILE A 11 26.904 -3.505 4.238 1.00 0.00 C ATOM 0 H ILE A 11 31.588 -4.504 3.482 1.00 0.00 H new ATOM 0 HA ILE A 11 29.943 -2.252 2.861 1.00 0.00 H new ATOM 0 HB ILE A 11 29.205 -4.452 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 11 28.075 -2.486 5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 11 28.224 -1.835 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 11 29.252 -4.613 6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 11 30.889 -4.642 5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 11 30.274 -3.159 6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 11 26.033 -2.874 4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 11 26.964 -3.758 3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 11 26.812 -4.419 4.825 1.00 0.00 H new ATOM 162 N GLU A 12 32.334 -2.098 5.082 1.00 0.00 N ATOM 163 CA GLU A 12 33.136 -1.246 5.946 1.00 0.00 C ATOM 164 C GLU A 12 34.188 -0.491 5.132 1.00 0.00 C ATOM 165 O GLU A 12 34.253 0.733 5.180 1.00 0.00 O ATOM 166 CB GLU A 12 33.821 -2.065 7.041 1.00 0.00 C ATOM 167 CG GLU A 12 33.289 -1.782 8.435 1.00 0.00 C ATOM 168 CD GLU A 12 31.785 -1.962 8.532 1.00 0.00 C ATOM 169 OE1 GLU A 12 31.061 -1.343 7.725 1.00 0.00 O ATOM 170 OE2 GLU A 12 31.335 -2.719 9.416 1.00 0.00 O ATOM 0 H GLU A 12 32.759 -3.003 4.883 1.00 0.00 H new ATOM 0 HA GLU A 12 32.466 -0.526 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 12 33.696 -3.125 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 12 34.891 -1.859 7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 12 33.778 -2.446 9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 12 33.548 -0.762 8.719 1.00 0.00 H new ATOM 177 N SER A 13 35.027 -1.233 4.401 1.00 0.00 N ATOM 178 CA SER A 13 36.091 -0.624 3.599 1.00 0.00 C ATOM 179 C SER A 13 35.553 0.046 2.337 1.00 0.00 C ATOM 180 O SER A 13 36.026 1.118 1.962 1.00 0.00 O ATOM 181 CB SER A 13 37.158 -1.658 3.225 1.00 0.00 C ATOM 182 OG SER A 13 37.525 -2.443 4.347 1.00 0.00 O ATOM 0 H SER A 13 34.990 -2.251 4.349 1.00 0.00 H new ATOM 0 HA SER A 13 36.544 0.149 4.220 1.00 0.00 H new ATOM 0 HB2 SER A 13 36.780 -2.305 2.433 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.038 -1.150 2.829 1.00 0.00 H new ATOM 0 HG SER A 13 36.927 -3.216 4.415 1.00 0.00 H new ATOM 188 N LEU A 14 34.547 -0.548 1.696 1.00 0.00 N ATOM 189 CA LEU A 14 33.964 0.065 0.507 1.00 0.00 C ATOM 190 C LEU A 14 33.029 1.167 0.958 1.00 0.00 C ATOM 191 O LEU A 14 33.283 2.347 0.722 1.00 0.00 O ATOM 192 CB LEU A 14 33.210 -0.958 -0.343 1.00 0.00 C ATOM 193 CG LEU A 14 33.227 -0.685 -1.847 1.00 0.00 C ATOM 194 CD1 LEU A 14 34.280 -1.540 -2.530 1.00 0.00 C ATOM 195 CD2 LEU A 14 31.855 -0.943 -2.453 1.00 0.00 C ATOM 0 H LEU A 14 34.127 -1.435 1.974 1.00 0.00 H new ATOM 0 HA LEU A 14 34.761 0.470 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 14 33.638 -1.944 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 14 32.174 -0.994 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 14 33.479 0.364 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 14 34.279 -1.333 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 14 35.261 -1.308 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.057 -2.594 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 14 31.887 -0.743 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 14 31.573 -1.983 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 14 31.121 -0.288 -1.984 1.00 0.00 H new ATOM 207 N SER A 15 31.941 0.778 1.618 1.00 0.00 N ATOM 208 CA SER A 15 30.961 1.750 2.117 1.00 0.00 C ATOM 209 C SER A 15 31.639 2.909 2.866 1.00 0.00 C ATOM 210 O SER A 15 31.026 3.949 3.098 1.00 0.00 O ATOM 211 CB SER A 15 29.944 1.064 3.029 1.00 0.00 C ATOM 212 OG SER A 15 28.622 1.461 2.708 1.00 0.00 O ATOM 0 H SER A 15 31.713 -0.195 1.821 1.00 0.00 H new ATOM 0 HA SER A 15 30.445 2.166 1.251 1.00 0.00 H new ATOM 0 HB2 SER A 15 30.036 -0.018 2.932 1.00 0.00 H new ATOM 0 HB3 SER A 15 30.159 1.311 4.069 1.00 0.00 H new ATOM 0 HG SER A 15 27.990 1.007 3.304 1.00 0.00 H new ATOM 218 N GLN A 16 32.921 2.740 3.181 1.00 0.00 N ATOM 219 CA GLN A 16 33.694 3.788 3.832 1.00 0.00 C ATOM 220 C GLN A 16 34.436 4.563 2.756 1.00 0.00 C ATOM 221 O GLN A 16 34.590 5.782 2.829 1.00 0.00 O ATOM 222 CB GLN A 16 34.686 3.200 4.837 1.00 0.00 C ATOM 223 CG GLN A 16 35.659 4.219 5.408 1.00 0.00 C ATOM 224 CD GLN A 16 36.695 4.669 4.396 1.00 0.00 C ATOM 225 OE1 GLN A 16 37.466 3.863 3.878 1.00 0.00 O ATOM 226 NE2 GLN A 16 36.714 5.966 4.107 1.00 0.00 N ATOM 0 H GLN A 16 33.445 1.885 2.994 1.00 0.00 H new ATOM 0 HA GLN A 16 33.023 4.446 4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 16 34.131 2.743 5.656 1.00 0.00 H new ATOM 0 HB3 GLN A 16 35.251 2.404 4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 16 35.103 5.087 5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 16 36.164 3.788 6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 16 36.056 6.599 4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 16 37.387 6.328 3.431 1.00 0.00 H new ATOM 235 N MET A 17 34.884 3.821 1.748 1.00 0.00 N ATOM 236 CA MET A 17 35.606 4.390 0.624 1.00 0.00 C ATOM 237 C MET A 17 34.638 4.911 -0.433 1.00 0.00 C ATOM 238 O MET A 17 35.046 5.608 -1.359 1.00 0.00 O ATOM 239 CB MET A 17 36.529 3.340 0.004 1.00 0.00 C ATOM 240 CG MET A 17 37.753 3.031 0.848 1.00 0.00 C ATOM 241 SD MET A 17 39.173 4.051 0.406 1.00 0.00 S ATOM 242 CE MET A 17 38.778 5.571 1.266 1.00 0.00 C ATOM 0 H MET A 17 34.755 2.811 1.691 1.00 0.00 H new ATOM 0 HA MET A 17 36.204 5.224 0.991 1.00 0.00 H new ATOM 0 HB2 MET A 17 35.965 2.421 -0.153 1.00 0.00 H new ATOM 0 HB3 MET A 17 36.853 3.687 -0.977 1.00 0.00 H new ATOM 0 HG2 MET A 17 37.513 3.185 1.900 1.00 0.00 H new ATOM 0 HG3 MET A 17 38.015 1.979 0.731 1.00 0.00 H new ATOM 0 HE1 MET A 17 38.939 6.418 0.600 1.00 0.00 H new ATOM 0 HE2 MET A 17 37.735 5.550 1.581 1.00 0.00 H new ATOM 0 HE3 MET A 17 39.419 5.671 2.142 1.00 0.00 H new ATOM 252 N LEU A 18 33.352 4.591 -0.289 1.00 0.00 N ATOM 253 CA LEU A 18 32.350 5.061 -1.242 1.00 0.00 C ATOM 254 C LEU A 18 31.758 6.383 -0.769 1.00 0.00 C ATOM 255 O LEU A 18 32.010 7.437 -1.356 1.00 0.00 O ATOM 256 CB LEU A 18 31.240 4.018 -1.401 1.00 0.00 C ATOM 257 CG LEU A 18 30.985 3.554 -2.836 1.00 0.00 C ATOM 258 CD1 LEU A 18 32.165 2.746 -3.351 1.00 0.00 C ATOM 259 CD2 LEU A 18 29.702 2.739 -2.909 1.00 0.00 C ATOM 0 H LEU A 18 32.984 4.016 0.469 1.00 0.00 H new ATOM 0 HA LEU A 18 32.831 5.213 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 18 31.491 3.148 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 18 30.315 4.431 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 18 30.870 4.433 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.967 2.424 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.064 3.362 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.312 1.872 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 18 29.534 2.416 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 18 29.789 1.865 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 18 28.863 3.351 -2.580 1.00 0.00 H new ATOM 271 N SER A 19 30.965 6.314 0.295 1.00 0.00 N ATOM 272 CA SER A 19 30.319 7.492 0.867 1.00 0.00 C ATOM 273 C SER A 19 31.343 8.550 1.266 1.00 0.00 C ATOM 274 O SER A 19 30.992 9.703 1.519 1.00 0.00 O ATOM 275 CB SER A 19 29.485 7.094 2.086 1.00 0.00 C ATOM 276 OG SER A 19 28.194 7.675 2.033 1.00 0.00 O ATOM 0 H SER A 19 30.752 5.445 0.784 1.00 0.00 H new ATOM 0 HA SER A 19 29.668 7.919 0.104 1.00 0.00 H new ATOM 0 HB2 SER A 19 29.397 6.009 2.131 1.00 0.00 H new ATOM 0 HB3 SER A 19 29.993 7.411 2.997 1.00 0.00 H new ATOM 0 HG SER A 19 27.681 7.404 2.822 1.00 0.00 H new ATOM 282 N MET A 20 32.612 8.162 1.288 1.00 0.00 N ATOM 283 CA MET A 20 33.679 9.091 1.619 1.00 0.00 C ATOM 284 C MET A 20 33.996 9.934 0.394 1.00 0.00 C ATOM 285 O MET A 20 34.466 11.066 0.499 1.00 0.00 O ATOM 286 CB MET A 20 34.928 8.340 2.085 1.00 0.00 C ATOM 287 CG MET A 20 36.173 9.211 2.148 1.00 0.00 C ATOM 288 SD MET A 20 36.145 10.364 3.533 1.00 0.00 S ATOM 289 CE MET A 20 36.206 11.933 2.673 1.00 0.00 C ATOM 0 H MET A 20 32.924 7.213 1.081 1.00 0.00 H new ATOM 0 HA MET A 20 33.354 9.736 2.435 1.00 0.00 H new ATOM 0 HB2 MET A 20 34.740 7.917 3.072 1.00 0.00 H new ATOM 0 HB3 MET A 20 35.113 7.505 1.410 1.00 0.00 H new ATOM 0 HG2 MET A 20 37.054 8.574 2.229 1.00 0.00 H new ATOM 0 HG3 MET A 20 36.268 9.770 1.217 1.00 0.00 H new ATOM 0 HE1 MET A 20 36.861 12.618 3.212 1.00 0.00 H new ATOM 0 HE2 MET A 20 36.591 11.781 1.665 1.00 0.00 H new ATOM 0 HE3 MET A 20 35.203 12.357 2.618 1.00 0.00 H new ATOM 299 N GLY A 21 33.728 9.354 -0.772 1.00 0.00 N ATOM 300 CA GLY A 21 33.975 10.036 -2.021 1.00 0.00 C ATOM 301 C GLY A 21 35.318 9.673 -2.607 1.00 0.00 C ATOM 302 O GLY A 21 35.962 10.500 -3.255 1.00 0.00 O ATOM 0 H GLY A 21 33.341 8.415 -0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 21 33.189 9.785 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.928 11.113 -1.861 1.00 0.00 H new ATOM 306 N PHE A 22 35.753 8.437 -2.378 1.00 0.00 N ATOM 307 CA PHE A 22 37.029 7.980 -2.886 1.00 0.00 C ATOM 308 C PHE A 22 36.893 6.576 -3.441 1.00 0.00 C ATOM 309 O PHE A 22 35.797 6.020 -3.497 1.00 0.00 O ATOM 310 CB PHE A 22 38.081 7.996 -1.775 1.00 0.00 C ATOM 311 CG PHE A 22 38.465 9.374 -1.320 1.00 0.00 C ATOM 312 CD1 PHE A 22 38.431 10.448 -2.196 1.00 0.00 C ATOM 313 CD2 PHE A 22 38.872 9.594 -0.013 1.00 0.00 C ATOM 314 CE1 PHE A 22 38.793 11.714 -1.777 1.00 0.00 C ATOM 315 CE2 PHE A 22 39.236 10.858 0.411 1.00 0.00 C ATOM 316 CZ PHE A 22 39.197 11.919 -0.471 1.00 0.00 C ATOM 0 H PHE A 22 35.236 7.739 -1.843 1.00 0.00 H new ATOM 0 HA PHE A 22 37.347 8.652 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 22 37.702 7.435 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 22 38.974 7.478 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 22 38.118 10.293 -3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 22 38.905 8.768 0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 22 38.760 12.542 -2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 22 39.551 11.016 1.432 1.00 0.00 H new ATOM 0 HZ PHE A 22 39.482 12.907 -0.141 1.00 0.00 H new ATOM 326 N SER A 23 38.010 6.004 -3.839 1.00 0.00 N ATOM 327 CA SER A 23 38.013 4.658 -4.370 1.00 0.00 C ATOM 328 C SER A 23 39.444 4.124 -4.402 1.00 0.00 C ATOM 329 O SER A 23 40.116 4.110 -3.376 1.00 0.00 O ATOM 330 CB SER A 23 37.377 4.634 -5.762 1.00 0.00 C ATOM 331 OG SER A 23 35.996 4.943 -5.697 1.00 0.00 O ATOM 0 H SER A 23 38.927 6.450 -3.805 1.00 0.00 H new ATOM 0 HA SER A 23 37.419 4.011 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 23 37.883 5.351 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 23 37.512 3.649 -6.210 1.00 0.00 H new ATOM 0 HG SER A 23 35.685 4.860 -4.771 1.00 0.00 H new ATOM 337 N ASP A 24 39.916 3.704 -5.572 1.00 0.00 N ATOM 338 CA ASP A 24 41.278 3.207 -5.710 1.00 0.00 C ATOM 339 C ASP A 24 42.019 4.053 -6.735 1.00 0.00 C ATOM 340 O ASP A 24 41.623 4.094 -7.899 1.00 0.00 O ATOM 341 CB ASP A 24 41.278 1.739 -6.148 1.00 0.00 C ATOM 342 CG ASP A 24 39.913 1.265 -6.609 1.00 0.00 C ATOM 343 OD1 ASP A 24 38.928 1.486 -5.873 1.00 0.00 O ATOM 344 OD2 ASP A 24 39.830 0.674 -7.706 1.00 0.00 O ATOM 0 H ASP A 24 39.375 3.698 -6.437 1.00 0.00 H new ATOM 0 HA ASP A 24 41.779 3.275 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 24 41.996 1.606 -6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 24 41.613 1.117 -5.318 1.00 0.00 H new ATOM 349 N GLU A 25 43.080 4.741 -6.309 1.00 0.00 N ATOM 350 CA GLU A 25 43.834 5.590 -7.234 1.00 0.00 C ATOM 351 C GLU A 25 43.883 4.960 -8.617 1.00 0.00 C ATOM 352 O GLU A 25 43.775 5.647 -9.633 1.00 0.00 O ATOM 353 CB GLU A 25 45.252 5.851 -6.720 1.00 0.00 C ATOM 354 CG GLU A 25 45.898 7.088 -7.320 1.00 0.00 C ATOM 355 CD GLU A 25 46.649 7.910 -6.291 1.00 0.00 C ATOM 356 OE1 GLU A 25 47.833 7.603 -6.035 1.00 0.00 O ATOM 357 OE2 GLU A 25 46.055 8.860 -5.740 1.00 0.00 O ATOM 0 H GLU A 25 43.431 4.729 -5.351 1.00 0.00 H new ATOM 0 HA GLU A 25 43.318 6.548 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 25 45.223 5.956 -5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 25 45.874 4.984 -6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 25 46.585 6.787 -8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 25 45.129 7.707 -7.783 1.00 0.00 H new ATOM 364 N GLY A 26 44.039 3.648 -8.641 1.00 0.00 N ATOM 365 CA GLY A 26 44.093 2.923 -9.897 1.00 0.00 C ATOM 366 C GLY A 26 43.431 1.559 -9.813 1.00 0.00 C ATOM 367 O GLY A 26 42.389 1.329 -10.426 1.00 0.00 O ATOM 0 H GLY A 26 44.130 3.065 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 26 43.605 3.512 -10.674 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.134 2.800 -10.197 1.00 0.00 H new ATOM 371 N GLY A 27 44.043 0.649 -9.058 1.00 0.00 N ATOM 372 CA GLY A 27 43.505 -0.693 -8.910 1.00 0.00 C ATOM 373 C GLY A 27 44.209 -1.443 -7.799 1.00 0.00 C ATOM 374 O GLY A 27 44.459 -2.643 -7.896 1.00 0.00 O ATOM 0 H GLY A 27 44.907 0.819 -8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 27 42.437 -0.639 -8.697 1.00 0.00 H new ATOM 0 HA3 GLY A 27 43.615 -1.238 -9.848 1.00 0.00 H new ATOM 378 N TRP A 28 44.516 -0.710 -6.740 1.00 0.00 N ATOM 379 CA TRP A 28 45.186 -1.272 -5.582 1.00 0.00 C ATOM 380 C TRP A 28 44.187 -1.613 -4.485 1.00 0.00 C ATOM 381 O TRP A 28 44.401 -2.542 -3.715 1.00 0.00 O ATOM 382 CB TRP A 28 46.247 -0.310 -5.050 1.00 0.00 C ATOM 383 CG TRP A 28 45.714 1.052 -4.751 1.00 0.00 C ATOM 384 CD1 TRP A 28 45.964 2.195 -5.444 1.00 0.00 C ATOM 385 CD2 TRP A 28 44.841 1.414 -3.679 1.00 0.00 C ATOM 386 NE1 TRP A 28 45.305 3.248 -4.864 1.00 0.00 N ATOM 387 CE2 TRP A 28 44.606 2.793 -3.781 1.00 0.00 C ATOM 388 CE3 TRP A 28 44.236 0.706 -2.645 1.00 0.00 C ATOM 389 CZ2 TRP A 28 43.793 3.475 -2.886 1.00 0.00 C ATOM 390 CZ3 TRP A 28 43.425 1.380 -1.756 1.00 0.00 C ATOM 391 CH2 TRP A 28 43.210 2.754 -1.879 1.00 0.00 C ATOM 0 H TRP A 28 44.308 0.285 -6.661 1.00 0.00 H new ATOM 0 HA TRP A 28 45.678 -2.193 -5.896 1.00 0.00 H new ATOM 0 HB2 TRP A 28 46.685 -0.728 -4.143 1.00 0.00 H new ATOM 0 HB3 TRP A 28 47.050 -0.225 -5.782 1.00 0.00 H new ATOM 0 HD1 TRP A 28 46.589 2.263 -6.322 1.00 0.00 H new ATOM 0 HE1 TRP A 28 45.332 4.215 -5.188 1.00 0.00 H new ATOM 0 HE3 TRP A 28 44.399 -0.356 -2.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 43.626 4.538 -2.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 42.949 0.837 -0.953 1.00 0.00 H new ATOM 0 HH2 TRP A 28 42.572 3.257 -1.167 1.00 0.00 H new ATOM 402 N LEU A 29 43.099 -0.848 -4.406 1.00 0.00 N ATOM 403 CA LEU A 29 42.083 -1.077 -3.383 1.00 0.00 C ATOM 404 C LEU A 29 41.872 -2.566 -3.167 1.00 0.00 C ATOM 405 O LEU A 29 42.205 -3.101 -2.109 1.00 0.00 O ATOM 406 CB LEU A 29 40.773 -0.381 -3.766 1.00 0.00 C ATOM 407 CG LEU A 29 39.523 -0.896 -3.052 1.00 0.00 C ATOM 408 CD1 LEU A 29 39.310 -0.137 -1.754 1.00 0.00 C ATOM 409 CD2 LEU A 29 38.304 -0.765 -3.952 1.00 0.00 C ATOM 0 H LEU A 29 42.900 -0.069 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 29 42.430 -0.648 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 29 40.874 0.685 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 29 40.626 -0.487 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 29 39.665 -1.951 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.417 -0.513 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 29 40.174 -0.277 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 29 39.186 0.924 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.423 -1.136 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.156 0.283 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.458 -1.348 -4.860 1.00 0.00 H new ATOM 421 N THR A 30 41.330 -3.236 -4.170 1.00 0.00 N ATOM 422 CA THR A 30 41.096 -4.670 -4.071 1.00 0.00 C ATOM 423 C THR A 30 42.294 -5.356 -3.417 1.00 0.00 C ATOM 424 O THR A 30 42.155 -6.404 -2.786 1.00 0.00 O ATOM 425 CB THR A 30 40.834 -5.268 -5.454 1.00 0.00 C ATOM 426 OG1 THR A 30 41.308 -6.602 -5.519 1.00 0.00 O ATOM 427 CG2 THR A 30 41.488 -4.494 -6.579 1.00 0.00 C ATOM 0 H THR A 30 41.045 -2.817 -5.055 1.00 0.00 H new ATOM 0 HA THR A 30 40.215 -4.835 -3.451 1.00 0.00 H new ATOM 0 HB THR A 30 39.753 -5.223 -5.587 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.131 -6.969 -6.410 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.261 -4.974 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.107 -3.473 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 30 42.568 -4.477 -6.430 1.00 0.00 H new ATOM 435 N ARG A 31 43.472 -4.758 -3.581 1.00 0.00 N ATOM 436 CA ARG A 31 44.707 -5.298 -3.022 1.00 0.00 C ATOM 437 C ARG A 31 45.033 -4.681 -1.658 1.00 0.00 C ATOM 438 O ARG A 31 45.067 -5.379 -0.644 1.00 0.00 O ATOM 439 CB ARG A 31 45.859 -5.039 -3.994 1.00 0.00 C ATOM 440 CG ARG A 31 45.439 -5.091 -5.454 1.00 0.00 C ATOM 441 CD ARG A 31 44.919 -6.467 -5.838 1.00 0.00 C ATOM 442 NE ARG A 31 46.003 -7.423 -6.050 1.00 0.00 N ATOM 443 CZ ARG A 31 45.843 -8.742 -5.992 1.00 0.00 C ATOM 444 NH1 ARG A 31 44.652 -9.255 -5.722 1.00 0.00 N ATOM 445 NH2 ARG A 31 46.876 -9.547 -6.203 1.00 0.00 N ATOM 0 H ARG A 31 43.596 -3.890 -4.102 1.00 0.00 H new ATOM 0 HA ARG A 31 44.571 -6.370 -2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 31 46.291 -4.061 -3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 31 46.643 -5.777 -3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 31 44.666 -4.345 -5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 31 46.288 -4.833 -6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 31 44.258 -6.836 -5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 31 44.322 -6.388 -6.747 1.00 0.00 H new ATOM 0 HE ARG A 31 46.934 -7.059 -6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 31 43.856 -8.638 -5.558 1.00 0.00 H new ATOM 0 HH12 ARG A 31 44.531 -10.267 -5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 31 47.794 -9.155 -6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 31 46.752 -10.558 -6.158 1.00 0.00 H new ATOM 459 N LEU A 32 45.278 -3.371 -1.649 1.00 0.00 N ATOM 460 CA LEU A 32 45.610 -2.646 -0.423 1.00 0.00 C ATOM 461 C LEU A 32 44.903 -3.257 0.783 1.00 0.00 C ATOM 462 O LEU A 32 45.550 -3.683 1.738 1.00 0.00 O ATOM 463 CB LEU A 32 45.228 -1.172 -0.586 1.00 0.00 C ATOM 464 CG LEU A 32 45.514 -0.262 0.607 1.00 0.00 C ATOM 465 CD1 LEU A 32 44.568 -0.565 1.754 1.00 0.00 C ATOM 466 CD2 LEU A 32 46.963 -0.394 1.045 1.00 0.00 C ATOM 0 H LEU A 32 45.252 -2.786 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 32 46.683 -2.722 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.757 -0.776 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.163 -1.118 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 32 45.347 0.770 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 32 44.790 0.095 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 32 43.540 -0.406 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.694 -1.602 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 32 47.147 0.262 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 32 47.164 -1.426 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 32 47.619 -0.113 0.221 1.00 0.00 H new ATOM 478 N LEU A 33 43.579 -3.322 0.722 1.00 0.00 N ATOM 479 CA LEU A 33 42.797 -3.909 1.803 1.00 0.00 C ATOM 480 C LEU A 33 43.423 -5.235 2.233 1.00 0.00 C ATOM 481 O LEU A 33 43.887 -5.387 3.361 1.00 0.00 O ATOM 482 CB LEU A 33 41.354 -4.119 1.343 1.00 0.00 C ATOM 483 CG LEU A 33 40.389 -3.004 1.748 1.00 0.00 C ATOM 484 CD1 LEU A 33 40.782 -1.693 1.088 1.00 0.00 C ATOM 485 CD2 LEU A 33 38.961 -3.374 1.387 1.00 0.00 C ATOM 0 H LEU A 33 43.025 -2.977 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 33 42.794 -3.233 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 33 41.343 -4.215 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 33 40.990 -5.062 1.750 1.00 0.00 H new ATOM 0 HG LEU A 33 40.447 -2.877 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 33 40.084 -0.911 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 33 41.790 -1.418 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 33 40.754 -1.808 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 33 38.290 -2.568 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 33 38.887 -3.531 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 33 38.680 -4.290 1.907 1.00 0.00 H new ATOM 497 N GLN A 34 43.420 -6.183 1.309 1.00 0.00 N ATOM 498 CA GLN A 34 43.981 -7.512 1.542 1.00 0.00 C ATOM 499 C GLN A 34 45.286 -7.437 2.341 1.00 0.00 C ATOM 500 O GLN A 34 45.426 -8.078 3.383 1.00 0.00 O ATOM 501 CB GLN A 34 44.234 -8.192 0.205 1.00 0.00 C ATOM 502 CG GLN A 34 43.300 -9.357 -0.074 1.00 0.00 C ATOM 503 CD GLN A 34 42.113 -8.959 -0.930 1.00 0.00 C ATOM 504 OE1 GLN A 34 41.829 -9.589 -1.948 1.00 0.00 O ATOM 505 NE2 GLN A 34 41.414 -7.907 -0.520 1.00 0.00 N ATOM 0 H GLN A 34 43.029 -6.056 0.375 1.00 0.00 H new ATOM 0 HA GLN A 34 43.265 -8.090 2.126 1.00 0.00 H new ATOM 0 HB2 GLN A 34 44.131 -7.456 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 34 45.264 -8.549 0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 34 43.854 -10.151 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 34 42.942 -9.765 0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 34 41.686 -7.414 0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 34 40.605 -7.592 -1.056 1.00 0.00 H new ATOM 514 N THR A 35 46.233 -6.640 1.846 1.00 0.00 N ATOM 515 CA THR A 35 47.529 -6.460 2.507 1.00 0.00 C ATOM 516 C THR A 35 47.402 -5.571 3.746 1.00 0.00 C ATOM 517 O THR A 35 48.381 -5.305 4.442 1.00 0.00 O ATOM 518 CB THR A 35 48.547 -5.862 1.536 1.00 0.00 C ATOM 519 OG1 THR A 35 47.898 -5.098 0.536 1.00 0.00 O ATOM 520 CG2 THR A 35 49.393 -6.907 0.841 1.00 0.00 C ATOM 0 H THR A 35 46.127 -6.105 0.984 1.00 0.00 H new ATOM 0 HA THR A 35 47.877 -7.442 2.827 1.00 0.00 H new ATOM 0 HB THR A 35 49.199 -5.237 2.147 1.00 0.00 H new ATOM 0 HG1 THR A 35 47.220 -4.525 0.951 1.00 0.00 H new ATOM 0 HG21 THR A 35 50.095 -6.417 0.166 1.00 0.00 H new ATOM 0 HG22 THR A 35 49.946 -7.481 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 35 48.749 -7.577 0.271 1.00 0.00 H new ATOM 528 N LYS A 36 46.179 -5.138 4.014 1.00 0.00 N ATOM 529 CA LYS A 36 45.887 -4.302 5.165 1.00 0.00 C ATOM 530 C LYS A 36 44.719 -4.884 5.948 1.00 0.00 C ATOM 531 O LYS A 36 43.965 -4.156 6.595 1.00 0.00 O ATOM 532 CB LYS A 36 45.571 -2.873 4.721 1.00 0.00 C ATOM 533 CG LYS A 36 46.582 -1.848 5.208 1.00 0.00 C ATOM 534 CD LYS A 36 47.501 -1.401 4.083 1.00 0.00 C ATOM 535 CE LYS A 36 48.633 -0.523 4.594 1.00 0.00 C ATOM 536 NZ LYS A 36 48.743 -0.560 6.079 1.00 0.00 N ATOM 0 H LYS A 36 45.364 -5.356 3.440 1.00 0.00 H new ATOM 0 HA LYS A 36 46.765 -4.275 5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 36 45.529 -2.841 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 36 44.582 -2.598 5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 36 46.059 -0.984 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 36 47.175 -2.275 6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 36 47.917 -2.276 3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 36 46.924 -0.853 3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 36 49.574 -0.852 4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 36 48.470 0.504 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 49.470 0.116 6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 47.828 -0.303 6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 49.008 -1.518 6.384 1.00 0.00 H new ATOM 550 N ASN A 37 44.562 -6.205 5.866 1.00 0.00 N ATOM 551 CA ASN A 37 43.470 -6.888 6.548 1.00 0.00 C ATOM 552 C ASN A 37 42.163 -6.175 6.245 1.00 0.00 C ATOM 553 O ASN A 37 41.262 -6.108 7.081 1.00 0.00 O ATOM 554 CB ASN A 37 43.710 -6.942 8.061 1.00 0.00 C ATOM 555 CG ASN A 37 44.704 -5.900 8.537 1.00 0.00 C ATOM 556 OD1 ASN A 37 45.884 -5.948 8.189 1.00 0.00 O ATOM 557 ND2 ASN A 37 44.231 -4.951 9.337 1.00 0.00 N ATOM 0 H ASN A 37 45.178 -6.820 5.334 1.00 0.00 H new ATOM 0 HA ASN A 37 43.418 -7.914 6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 37 42.762 -6.797 8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 37 44.073 -7.934 8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 37 44.853 -4.223 9.688 1.00 0.00 H new ATOM 0 HD22 ASN A 37 43.245 -4.950 9.600 1.00 0.00 H new ATOM 564 N TYR A 38 42.085 -5.622 5.040 1.00 0.00 N ATOM 565 CA TYR A 38 40.910 -4.886 4.609 1.00 0.00 C ATOM 566 C TYR A 38 40.779 -3.604 5.415 1.00 0.00 C ATOM 567 O TYR A 38 39.759 -3.363 6.061 1.00 0.00 O ATOM 568 CB TYR A 38 39.655 -5.743 4.767 1.00 0.00 C ATOM 569 CG TYR A 38 39.621 -6.936 3.840 1.00 0.00 C ATOM 570 CD1 TYR A 38 40.163 -8.154 4.229 1.00 0.00 C ATOM 571 CD2 TYR A 38 39.043 -6.847 2.580 1.00 0.00 C ATOM 572 CE1 TYR A 38 40.131 -9.249 3.389 1.00 0.00 C ATOM 573 CE2 TYR A 38 39.007 -7.939 1.734 1.00 0.00 C ATOM 574 CZ TYR A 38 39.553 -9.137 2.143 1.00 0.00 C ATOM 575 OH TYR A 38 39.519 -10.228 1.304 1.00 0.00 O ATOM 0 H TYR A 38 42.828 -5.672 4.343 1.00 0.00 H new ATOM 0 HA TYR A 38 41.021 -4.632 3.555 1.00 0.00 H new ATOM 0 HB2 TYR A 38 39.590 -6.091 5.798 1.00 0.00 H new ATOM 0 HB3 TYR A 38 38.776 -5.125 4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 38 40.617 -8.246 5.205 1.00 0.00 H new ATOM 0 HD2 TYR A 38 38.615 -5.910 2.257 1.00 0.00 H new ATOM 0 HE1 TYR A 38 40.557 -10.189 3.707 1.00 0.00 H new ATOM 0 HE2 TYR A 38 38.553 -7.854 0.757 1.00 0.00 H new ATOM 0 HH TYR A 38 39.077 -9.982 0.465 1.00 0.00 H new ATOM 585 N ASP A 39 41.830 -2.790 5.385 1.00 0.00 N ATOM 586 CA ASP A 39 41.837 -1.537 6.128 1.00 0.00 C ATOM 587 C ASP A 39 41.940 -0.343 5.193 1.00 0.00 C ATOM 588 O ASP A 39 42.852 -0.264 4.370 1.00 0.00 O ATOM 589 CB ASP A 39 42.998 -1.514 7.125 1.00 0.00 C ATOM 590 CG ASP A 39 42.709 -2.327 8.371 1.00 0.00 C ATOM 591 OD1 ASP A 39 42.153 -3.436 8.239 1.00 0.00 O ATOM 592 OD2 ASP A 39 43.040 -1.854 9.479 1.00 0.00 O ATOM 0 H ASP A 39 42.683 -2.975 4.857 1.00 0.00 H new ATOM 0 HA ASP A 39 40.895 -1.469 6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.895 -1.902 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.209 -0.483 7.409 1.00 0.00 H new ATOM 597 N ILE A 40 41.008 0.591 5.336 1.00 0.00 N ATOM 598 CA ILE A 40 41.005 1.786 4.521 1.00 0.00 C ATOM 599 C ILE A 40 41.909 2.813 5.164 1.00 0.00 C ATOM 600 O ILE A 40 42.503 3.656 4.492 1.00 0.00 O ATOM 601 CB ILE A 40 39.586 2.375 4.375 1.00 0.00 C ATOM 602 CG1 ILE A 40 38.930 2.525 5.752 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.736 1.501 3.462 1.00 0.00 C ATOM 604 CD1 ILE A 40 38.093 1.332 6.168 1.00 0.00 C ATOM 0 H ILE A 40 40.246 0.538 6.012 1.00 0.00 H new ATOM 0 HA ILE A 40 41.361 1.524 3.525 1.00 0.00 H new ATOM 0 HB ILE A 40 39.663 3.363 3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 40 39.708 2.688 6.498 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.300 3.415 5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 40 37.739 1.932 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 40 39.199 1.446 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 40 38.661 0.499 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 40 37.663 1.515 7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 40 37.292 1.180 5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 40 38.721 0.442 6.206 1.00 0.00 H new ATOM 616 N GLY A 41 42.008 2.724 6.485 1.00 0.00 N ATOM 617 CA GLY A 41 42.842 3.640 7.216 1.00 0.00 C ATOM 618 C GLY A 41 44.137 3.909 6.495 1.00 0.00 C ATOM 619 O GLY A 41 44.632 5.036 6.474 1.00 0.00 O ATOM 0 H GLY A 41 41.523 2.032 7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 41 42.308 4.578 7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 41 43.053 3.231 8.204 1.00 0.00 H new ATOM 623 N ALA A 42 44.677 2.865 5.891 1.00 0.00 N ATOM 624 CA ALA A 42 45.918 2.974 5.141 1.00 0.00 C ATOM 625 C ALA A 42 45.620 3.173 3.669 1.00 0.00 C ATOM 626 O ALA A 42 46.427 3.732 2.929 1.00 0.00 O ATOM 627 CB ALA A 42 46.794 1.748 5.359 1.00 0.00 C ATOM 0 H ALA A 42 44.274 1.928 5.905 1.00 0.00 H new ATOM 0 HA ALA A 42 46.468 3.842 5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 42 47.716 1.853 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 42 47.032 1.655 6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.262 0.857 5.027 1.00 0.00 H new ATOM 633 N ALA A 43 44.434 2.749 3.259 1.00 0.00 N ATOM 634 CA ALA A 43 44.018 2.929 1.880 1.00 0.00 C ATOM 635 C ALA A 43 44.121 4.406 1.530 1.00 0.00 C ATOM 636 O ALA A 43 44.637 4.777 0.477 1.00 0.00 O ATOM 637 CB ALA A 43 42.598 2.422 1.670 1.00 0.00 C ATOM 0 H ALA A 43 43.750 2.283 3.856 1.00 0.00 H new ATOM 0 HA ALA A 43 44.669 2.351 1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 43 42.310 2.568 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 43 42.551 1.361 1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 43 41.915 2.974 2.316 1.00 0.00 H new ATOM 643 N LEU A 44 43.647 5.240 2.453 1.00 0.00 N ATOM 644 CA LEU A 44 43.693 6.686 2.286 1.00 0.00 C ATOM 645 C LEU A 44 45.067 7.122 1.795 1.00 0.00 C ATOM 646 O LEU A 44 45.220 7.599 0.670 1.00 0.00 O ATOM 647 CB LEU A 44 43.387 7.379 3.615 1.00 0.00 C ATOM 648 CG LEU A 44 41.903 7.578 3.917 1.00 0.00 C ATOM 649 CD1 LEU A 44 41.183 6.238 3.956 1.00 0.00 C ATOM 650 CD2 LEU A 44 41.727 8.317 5.235 1.00 0.00 C ATOM 0 H LEU A 44 43.224 4.934 3.329 1.00 0.00 H new ATOM 0 HA LEU A 44 42.943 6.969 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 44 43.831 6.795 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 44 43.876 8.353 3.620 1.00 0.00 H new ATOM 0 HG LEU A 44 41.464 8.180 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 44 40.127 6.399 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.284 5.742 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 44 41.621 5.612 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 44 40.664 8.452 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 44 42.179 7.738 6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 44 42.211 9.292 5.173 1.00 0.00 H new ATOM 662 N ASP A 45 46.059 6.966 2.665 1.00 0.00 N ATOM 663 CA ASP A 45 47.432 7.351 2.352 1.00 0.00 C ATOM 664 C ASP A 45 47.819 6.995 0.917 1.00 0.00 C ATOM 665 O ASP A 45 48.689 7.637 0.326 1.00 0.00 O ATOM 666 CB ASP A 45 48.399 6.677 3.326 1.00 0.00 C ATOM 667 CG ASP A 45 49.840 6.769 2.865 1.00 0.00 C ATOM 668 OD1 ASP A 45 50.499 7.783 3.173 1.00 0.00 O ATOM 669 OD2 ASP A 45 50.309 5.825 2.194 1.00 0.00 O ATOM 0 H ASP A 45 45.937 6.573 3.598 1.00 0.00 H new ATOM 0 HA ASP A 45 47.495 8.434 2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 45 48.304 7.141 4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 45 48.123 5.629 3.441 1.00 0.00 H new ATOM 674 N THR A 46 47.193 5.961 0.364 1.00 0.00 N ATOM 675 CA THR A 46 47.509 5.522 -0.994 1.00 0.00 C ATOM 676 C THR A 46 46.551 6.107 -2.036 1.00 0.00 C ATOM 677 O THR A 46 46.962 6.421 -3.154 1.00 0.00 O ATOM 678 CB THR A 46 47.495 3.997 -1.063 1.00 0.00 C ATOM 679 OG1 THR A 46 46.168 3.511 -1.064 1.00 0.00 O ATOM 680 CG2 THR A 46 48.226 3.344 0.090 1.00 0.00 C ATOM 0 H THR A 46 46.469 5.414 0.830 1.00 0.00 H new ATOM 0 HA THR A 46 48.506 5.893 -1.232 1.00 0.00 H new ATOM 0 HB THR A 46 48.008 3.740 -1.990 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.721 3.778 -0.234 1.00 0.00 H new ATOM 0 HG21 THR A 46 48.180 2.260 -0.017 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.268 3.665 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 46 47.758 3.636 1.030 1.00 0.00 H new ATOM 688 N ILE A 47 45.278 6.248 -1.675 1.00 0.00 N ATOM 689 CA ILE A 47 44.279 6.793 -2.607 1.00 0.00 C ATOM 690 C ILE A 47 44.577 8.246 -2.951 1.00 0.00 C ATOM 691 O ILE A 47 44.324 8.691 -4.069 1.00 0.00 O ATOM 692 CB ILE A 47 42.825 6.724 -2.069 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.758 5.999 -0.730 1.00 0.00 C ATOM 694 CG2 ILE A 47 41.915 6.044 -3.081 1.00 0.00 C ATOM 695 CD1 ILE A 47 41.382 6.011 -0.101 1.00 0.00 C ATOM 0 H ILE A 47 44.911 5.998 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 47 44.352 6.160 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 47 42.482 7.747 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 47 43.075 4.966 -0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 47 43.467 6.459 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 47 40.899 6.004 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 47 41.921 6.609 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 47 42.272 5.031 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 47 41.411 5.477 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 47 41.070 7.041 0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.672 5.524 -0.770 1.00 0.00 H new ATOM 707 N GLN A 48 45.098 8.990 -1.982 1.00 0.00 N ATOM 708 CA GLN A 48 45.402 10.398 -2.194 1.00 0.00 C ATOM 709 C GLN A 48 45.912 11.047 -0.909 1.00 0.00 C ATOM 710 O GLN A 48 45.511 12.158 -0.561 1.00 0.00 O ATOM 711 CB GLN A 48 44.151 11.128 -2.690 1.00 0.00 C ATOM 712 CG GLN A 48 42.850 10.495 -2.215 1.00 0.00 C ATOM 713 CD GLN A 48 41.983 9.991 -3.353 1.00 0.00 C ATOM 714 OE1 GLN A 48 42.311 10.166 -4.526 1.00 0.00 O ATOM 715 NE2 GLN A 48 40.866 9.361 -3.006 1.00 0.00 N ATOM 0 H GLN A 48 45.317 8.644 -1.048 1.00 0.00 H new ATOM 0 HA GLN A 48 46.187 10.472 -2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 48 44.186 12.164 -2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 48 44.160 11.148 -3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 48 43.080 9.665 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 48 42.288 11.226 -1.634 1.00 0.00 H new ATOM 0 HE21 GLN A 48 40.635 9.239 -2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.240 8.999 -3.725 1.00 0.00 H new ATOM 724 N TYR A 49 46.799 10.346 -0.209 1.00 0.00 N ATOM 725 CA TYR A 49 47.366 10.850 1.037 1.00 0.00 C ATOM 726 C TYR A 49 48.729 10.218 1.308 1.00 0.00 C ATOM 727 O TYR A 49 49.079 9.945 2.455 1.00 0.00 O ATOM 728 CB TYR A 49 46.419 10.558 2.205 1.00 0.00 C ATOM 729 CG TYR A 49 45.403 11.651 2.455 1.00 0.00 C ATOM 730 CD1 TYR A 49 44.221 11.706 1.725 1.00 0.00 C ATOM 731 CD2 TYR A 49 45.622 12.623 3.423 1.00 0.00 C ATOM 732 CE1 TYR A 49 43.288 12.700 1.952 1.00 0.00 C ATOM 733 CE2 TYR A 49 44.693 13.619 3.657 1.00 0.00 C ATOM 734 CZ TYR A 49 43.528 13.653 2.919 1.00 0.00 C ATOM 735 OH TYR A 49 42.601 14.644 3.149 1.00 0.00 O ATOM 0 H TYR A 49 47.141 9.425 -0.484 1.00 0.00 H new ATOM 0 HA TYR A 49 47.495 11.928 0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 49 45.893 9.624 2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 49 47.008 10.409 3.110 1.00 0.00 H new ATOM 0 HD1 TYR A 49 44.029 10.960 0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 49 46.533 12.600 4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 49 42.376 12.730 1.375 1.00 0.00 H new ATOM 0 HE2 TYR A 49 44.878 14.367 4.414 1.00 0.00 H new ATOM 0 HH TYR A 49 42.923 15.233 3.863 1.00 0.00 H new ATOM 745 N SER A 50 49.491 9.979 0.243 1.00 0.00 N ATOM 746 CA SER A 50 50.811 9.370 0.371 1.00 0.00 C ATOM 747 C SER A 50 51.896 10.424 0.567 1.00 0.00 C ATOM 748 O SER A 50 53.037 10.233 0.149 1.00 0.00 O ATOM 749 CB SER A 50 51.129 8.526 -0.865 1.00 0.00 C ATOM 750 OG SER A 50 49.990 8.384 -1.698 1.00 0.00 O ATOM 0 H SER A 50 49.217 10.197 -0.715 1.00 0.00 H new ATOM 0 HA SER A 50 50.794 8.730 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 50 51.938 8.992 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 50 51.481 7.542 -0.556 1.00 0.00 H new ATOM 0 HG SER A 50 49.290 7.897 -1.215 1.00 0.00 H new ATOM 756 N LYS A 51 51.536 11.530 1.215 1.00 0.00 N ATOM 757 CA LYS A 51 52.484 12.612 1.476 1.00 0.00 C ATOM 758 C LYS A 51 51.762 13.940 1.682 1.00 0.00 C ATOM 759 O LYS A 51 52.150 14.961 1.115 1.00 0.00 O ATOM 760 CB LYS A 51 53.486 12.741 0.329 1.00 0.00 C ATOM 761 CG LYS A 51 54.863 12.189 0.663 1.00 0.00 C ATOM 762 CD LYS A 51 55.855 13.304 0.950 1.00 0.00 C ATOM 763 CE LYS A 51 57.284 12.862 0.685 1.00 0.00 C ATOM 764 NZ LYS A 51 58.206 13.270 1.781 1.00 0.00 N ATOM 0 H LYS A 51 50.595 11.701 1.569 1.00 0.00 H new ATOM 0 HA LYS A 51 53.021 12.364 2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 51 53.096 12.219 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 51 53.581 13.792 0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 51 54.792 11.531 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 51 55.225 11.583 -0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 51 55.620 14.169 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 51 55.758 13.620 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 51 57.313 11.778 0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 51 57.628 13.291 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 59.170 12.949 1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 58.198 14.306 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 57.894 12.840 2.675 1.00 0.00 H new ATOM 778 N HIS A 52 50.714 13.920 2.497 1.00 0.00 N ATOM 779 CA HIS A 52 49.944 15.126 2.778 1.00 0.00 C ATOM 780 C HIS A 52 50.316 15.700 4.142 1.00 0.00 C ATOM 781 O HIS A 52 49.596 15.413 5.121 1.00 0.00 O ATOM 782 CB HIS A 52 48.445 14.827 2.727 1.00 0.00 C ATOM 783 CG HIS A 52 47.724 15.570 1.644 1.00 0.00 C ATOM 784 ND1 HIS A 52 47.353 15.008 0.443 1.00 0.00 N ATOM 785 CD2 HIS A 52 47.299 16.860 1.602 1.00 0.00 C ATOM 786 CE1 HIS A 52 46.731 15.952 -0.277 1.00 0.00 C ATOM 787 NE2 HIS A 52 46.671 17.093 0.381 1.00 0.00 N ATOM 788 OXT HIS A 52 51.326 16.431 4.219 1.00 0.00 O ATOM 0 H HIS A 52 50.378 13.083 2.974 1.00 0.00 H new ATOM 0 HA HIS A 52 50.182 15.866 2.014 1.00 0.00 H new ATOM 0 HB2 HIS A 52 48.301 13.757 2.580 1.00 0.00 H new ATOM 0 HB3 HIS A 52 47.999 15.080 3.689 1.00 0.00 H new ATOM 0 HD2 HIS A 52 47.428 17.588 2.389 1.00 0.00 H new ATOM 0 HE1 HIS A 52 46.331 15.798 -1.268 1.00 0.00 H new ATOM 0 HE2 HIS A 52 46.251 17.966 0.062 1.00 0.00 H new TER 796 HIS A 52