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 Single : A 1 GLY N :NH3+ -131:sc= 0.0825 (180deg=0) USER MOD Single : A 2 SER OG : rot -152:sc= 0.0748 USER MOD Single : A 13 SER OG : rot -77:sc= -2.48! USER MOD Single : A 15 SER OG : rot 177:sc= -1.62! USER MOD Single : A 16 GLN : amide:sc= -9.06! C(o=-9.1!,f=-8.3!) USER MOD Single : A 17 MET CE :methyl -147:sc= -0.732 (180deg=-5.01!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 140:sc= -0.279 (180deg=-0.897) USER MOD Single : A 23 SER OG : rot 10:sc= 0.0454 USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 34 GLN : amide:sc= -4.91 X(o=-4.9,f=-4.8!) USER MOD Single : A 35 THR OG1 : rot -46:sc= -0.422! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -3.35! C(o=-3.4!,f=-2.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 94:sc= -0.418 USER MOD Single : A 48 GLN : amide:sc= 0.356 X(o=0.36,f=0.03) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -2:sc= 1.2 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.252 -15.914 3.694 1.00 0.00 N ATOM 2 CA GLY A 1 26.941 -14.653 4.078 1.00 0.00 C ATOM 3 C GLY A 1 26.806 -13.571 3.025 1.00 0.00 C ATOM 4 O GLY A 1 26.046 -13.717 2.068 1.00 0.00 O ATOM 0 H1 GLY A 1 25.658 -16.239 4.483 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.656 -15.744 2.859 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.960 -16.642 3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.530 -14.291 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.998 -14.858 4.249 1.00 0.00 H new ATOM 10 N SER A 2 27.547 -12.480 3.202 1.00 0.00 N ATOM 11 CA SER A 2 27.510 -11.368 2.259 1.00 0.00 C ATOM 12 C SER A 2 28.244 -11.720 0.970 1.00 0.00 C ATOM 13 O SER A 2 29.267 -12.404 0.992 1.00 0.00 O ATOM 14 CB SER A 2 28.128 -10.117 2.887 1.00 0.00 C ATOM 15 OG SER A 2 27.162 -9.381 3.618 1.00 0.00 O ATOM 0 H SER A 2 28.180 -12.343 3.990 1.00 0.00 H new ATOM 0 HA SER A 2 26.467 -11.167 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.946 -10.404 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.555 -9.487 2.106 1.00 0.00 H new ATOM 0 HG SER A 2 27.413 -8.434 3.630 1.00 0.00 H new ATOM 21 N PRO A 3 27.722 -11.257 -0.174 1.00 0.00 N ATOM 22 CA PRO A 3 28.314 -11.519 -1.484 1.00 0.00 C ATOM 23 C PRO A 3 29.423 -10.531 -1.832 1.00 0.00 C ATOM 24 O PRO A 3 29.702 -9.600 -1.075 1.00 0.00 O ATOM 25 CB PRO A 3 27.127 -11.341 -2.424 1.00 0.00 C ATOM 26 CG PRO A 3 26.278 -10.304 -1.766 1.00 0.00 C ATOM 27 CD PRO A 3 26.500 -10.440 -0.279 1.00 0.00 C ATOM 0 HA PRO A 3 28.788 -12.499 -1.538 1.00 0.00 H new ATOM 0 HB2 PRO A 3 27.450 -11.019 -3.414 1.00 0.00 H new ATOM 0 HB3 PRO A 3 26.581 -12.275 -2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 3 26.552 -9.306 -2.108 1.00 0.00 H new ATOM 0 HG3 PRO A 3 25.227 -10.449 -2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 3 26.628 -9.467 0.196 1.00 0.00 H new ATOM 0 HD3 PRO A 3 25.653 -10.924 0.208 1.00 0.00 H new ATOM 35 N PRO A 4 30.069 -10.723 -2.993 1.00 0.00 N ATOM 36 CA PRO A 4 31.153 -9.847 -3.454 1.00 0.00 C ATOM 37 C PRO A 4 30.686 -8.407 -3.624 1.00 0.00 C ATOM 38 O PRO A 4 30.582 -7.906 -4.743 1.00 0.00 O ATOM 39 CB PRO A 4 31.555 -10.448 -4.807 1.00 0.00 C ATOM 40 CG PRO A 4 31.050 -11.849 -4.771 1.00 0.00 C ATOM 41 CD PRO A 4 29.794 -11.806 -3.949 1.00 0.00 C ATOM 0 HA PRO A 4 31.975 -9.802 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 4 31.114 -9.890 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 4 32.636 -10.421 -4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 4 30.848 -12.218 -5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 4 31.786 -12.519 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 4 28.917 -11.593 -4.561 1.00 0.00 H new ATOM 0 HD3 PRO A 4 29.608 -12.754 -3.444 1.00 0.00 H new ATOM 49 N GLU A 5 30.409 -7.753 -2.499 1.00 0.00 N ATOM 50 CA GLU A 5 29.948 -6.368 -2.498 1.00 0.00 C ATOM 51 C GLU A 5 29.119 -6.082 -1.250 1.00 0.00 C ATOM 52 O GLU A 5 27.896 -6.207 -1.278 1.00 0.00 O ATOM 53 CB GLU A 5 29.114 -6.074 -3.747 1.00 0.00 C ATOM 54 CG GLU A 5 28.088 -7.152 -4.062 1.00 0.00 C ATOM 55 CD GLU A 5 26.759 -6.578 -4.511 1.00 0.00 C ATOM 56 OE1 GLU A 5 26.617 -6.284 -5.717 1.00 0.00 O ATOM 57 OE2 GLU A 5 25.861 -6.422 -3.658 1.00 0.00 O ATOM 0 H GLU A 5 30.497 -8.164 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 5 30.826 -5.722 -2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 5 28.600 -5.122 -3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 5 29.782 -5.959 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 5 28.480 -7.805 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 5 27.933 -7.770 -3.178 1.00 0.00 H new ATOM 64 N ALA A 6 29.805 -5.707 -0.164 1.00 0.00 N ATOM 65 CA ALA A 6 29.167 -5.398 1.121 1.00 0.00 C ATOM 66 C ALA A 6 29.531 -6.444 2.165 1.00 0.00 C ATOM 67 O ALA A 6 28.763 -6.712 3.089 1.00 0.00 O ATOM 68 CB ALA A 6 27.653 -5.286 0.997 1.00 0.00 C ATOM 0 H ALA A 6 30.820 -5.609 -0.152 1.00 0.00 H new ATOM 0 HA ALA A 6 29.544 -4.427 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 6 27.224 -5.056 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 6 27.403 -4.491 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 6 27.247 -6.231 0.635 1.00 0.00 H new ATOM 74 N ASP A 7 30.717 -7.019 2.017 1.00 0.00 N ATOM 75 CA ASP A 7 31.202 -8.022 2.950 1.00 0.00 C ATOM 76 C ASP A 7 31.819 -7.331 4.154 1.00 0.00 C ATOM 77 O ASP A 7 32.277 -6.198 4.045 1.00 0.00 O ATOM 78 CB ASP A 7 32.228 -8.934 2.275 1.00 0.00 C ATOM 79 CG ASP A 7 31.726 -9.491 0.958 1.00 0.00 C ATOM 80 OD1 ASP A 7 31.603 -8.710 -0.009 1.00 0.00 O ATOM 81 OD2 ASP A 7 31.454 -10.709 0.892 1.00 0.00 O ATOM 0 H ASP A 7 31.362 -6.806 1.256 1.00 0.00 H new ATOM 0 HA ASP A 7 30.366 -8.640 3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 7 33.149 -8.376 2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.474 -9.758 2.945 1.00 0.00 H new ATOM 86 N PRO A 8 31.839 -7.994 5.316 1.00 0.00 N ATOM 87 CA PRO A 8 32.403 -7.428 6.529 1.00 0.00 C ATOM 88 C PRO A 8 33.525 -6.441 6.224 1.00 0.00 C ATOM 89 O PRO A 8 33.487 -5.287 6.650 1.00 0.00 O ATOM 90 CB PRO A 8 32.931 -8.671 7.241 1.00 0.00 C ATOM 91 CG PRO A 8 31.988 -9.769 6.843 1.00 0.00 C ATOM 92 CD PRO A 8 31.328 -9.352 5.544 1.00 0.00 C ATOM 0 HA PRO A 8 31.687 -6.853 7.116 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.953 -8.897 6.937 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.944 -8.533 8.322 1.00 0.00 H new ATOM 0 HG2 PRO A 8 32.525 -10.709 6.716 1.00 0.00 H new ATOM 0 HG3 PRO A 8 31.240 -9.932 7.619 1.00 0.00 H new ATOM 0 HD2 PRO A 8 31.593 -10.022 4.727 1.00 0.00 H new ATOM 0 HD3 PRO A 8 30.241 -9.363 5.625 1.00 0.00 H new ATOM 100 N ARG A 9 34.529 -6.908 5.495 1.00 0.00 N ATOM 101 CA ARG A 9 35.675 -6.080 5.137 1.00 0.00 C ATOM 102 C ARG A 9 35.333 -5.018 4.087 1.00 0.00 C ATOM 103 O ARG A 9 35.787 -3.878 4.185 1.00 0.00 O ATOM 104 CB ARG A 9 36.795 -6.965 4.599 1.00 0.00 C ATOM 105 CG ARG A 9 37.119 -8.148 5.496 1.00 0.00 C ATOM 106 CD ARG A 9 37.586 -7.691 6.868 1.00 0.00 C ATOM 107 NE ARG A 9 38.850 -8.313 7.248 1.00 0.00 N ATOM 108 CZ ARG A 9 39.431 -8.132 8.428 1.00 0.00 C ATOM 109 NH1 ARG A 9 38.865 -7.348 9.334 1.00 0.00 N ATOM 110 NH2 ARG A 9 40.579 -8.735 8.701 1.00 0.00 N ATOM 0 H ARG A 9 34.574 -7.862 5.137 1.00 0.00 H new ATOM 0 HA ARG A 9 35.989 -5.561 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 9 36.513 -7.334 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.693 -6.361 4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.237 -8.779 5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.893 -8.758 5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 9 37.700 -6.607 6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 9 36.825 -7.933 7.610 1.00 0.00 H new ATOM 0 HE ARG A 9 39.312 -8.920 6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 9 37.982 -6.883 9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 9 39.313 -7.210 10.240 1.00 0.00 H new ATOM 0 HH21 ARG A 9 41.016 -9.338 8.005 1.00 0.00 H new ATOM 0 HH22 ARG A 9 41.025 -8.596 9.608 1.00 0.00 H new ATOM 124 N LEU A 10 34.570 -5.399 3.065 1.00 0.00 N ATOM 125 CA LEU A 10 34.224 -4.478 1.992 1.00 0.00 C ATOM 126 C LEU A 10 33.128 -3.508 2.412 1.00 0.00 C ATOM 127 O LEU A 10 33.025 -2.405 1.883 1.00 0.00 O ATOM 128 CB LEU A 10 33.828 -5.255 0.736 1.00 0.00 C ATOM 129 CG LEU A 10 34.872 -6.271 0.245 1.00 0.00 C ATOM 130 CD1 LEU A 10 35.031 -6.189 -1.263 1.00 0.00 C ATOM 131 CD2 LEU A 10 36.220 -6.048 0.928 1.00 0.00 C ATOM 0 H LEU A 10 34.182 -6.336 2.960 1.00 0.00 H new ATOM 0 HA LEU A 10 35.106 -3.879 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.894 -5.782 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 10 33.630 -4.544 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 10 34.516 -7.267 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 10 35.774 -6.916 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 10 34.076 -6.405 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 10 35.357 -5.187 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 10 36.939 -6.781 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 10 36.579 -5.044 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 10 36.105 -6.160 2.006 1.00 0.00 H new ATOM 143 N ILE A 11 32.359 -3.892 3.412 1.00 0.00 N ATOM 144 CA ILE A 11 31.330 -3.014 3.940 1.00 0.00 C ATOM 145 C ILE A 11 31.985 -2.057 4.929 1.00 0.00 C ATOM 146 O ILE A 11 31.426 -1.022 5.295 1.00 0.00 O ATOM 147 CB ILE A 11 30.200 -3.796 4.639 1.00 0.00 C ATOM 148 CG1 ILE A 11 28.959 -2.915 4.790 1.00 0.00 C ATOM 149 CG2 ILE A 11 30.665 -4.300 5.996 1.00 0.00 C ATOM 150 CD1 ILE A 11 27.666 -3.700 4.838 1.00 0.00 C ATOM 0 H ILE A 11 32.425 -4.799 3.873 1.00 0.00 H new ATOM 0 HA ILE A 11 30.875 -2.471 3.111 1.00 0.00 H new ATOM 0 HB ILE A 11 29.940 -4.657 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 11 29.051 -2.324 5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 11 28.918 -2.212 3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 11 29.856 -4.850 6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 11 31.524 -4.959 5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 11 30.949 -3.453 6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 11 26.827 -3.013 4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 11 27.552 -4.270 3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 11 27.687 -4.384 5.687 1.00 0.00 H new ATOM 162 N GLU A 12 33.208 -2.417 5.315 1.00 0.00 N ATOM 163 CA GLU A 12 34.015 -1.616 6.217 1.00 0.00 C ATOM 164 C GLU A 12 35.022 -0.774 5.433 1.00 0.00 C ATOM 165 O GLU A 12 35.127 0.436 5.626 1.00 0.00 O ATOM 166 CB GLU A 12 34.744 -2.518 7.215 1.00 0.00 C ATOM 167 CG GLU A 12 35.814 -1.800 8.019 1.00 0.00 C ATOM 168 CD GLU A 12 35.823 -2.219 9.476 1.00 0.00 C ATOM 169 OE1 GLU A 12 34.877 -2.918 9.897 1.00 0.00 O ATOM 170 OE2 GLU A 12 36.775 -1.850 10.195 1.00 0.00 O ATOM 0 H GLU A 12 33.663 -3.276 5.007 1.00 0.00 H new ATOM 0 HA GLU A 12 33.356 -0.943 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 12 34.015 -2.949 7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 12 35.203 -3.346 6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 12 36.791 -2.002 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 12 35.652 -0.724 7.954 1.00 0.00 H new ATOM 177 N SER A 13 35.779 -1.445 4.561 1.00 0.00 N ATOM 178 CA SER A 13 36.807 -0.789 3.754 1.00 0.00 C ATOM 179 C SER A 13 36.314 -0.407 2.354 1.00 0.00 C ATOM 180 O SER A 13 36.626 0.676 1.860 1.00 0.00 O ATOM 181 CB SER A 13 38.028 -1.700 3.632 1.00 0.00 C ATOM 182 OG SER A 13 37.765 -2.788 2.766 1.00 0.00 O ATOM 0 H SER A 13 35.697 -2.448 4.396 1.00 0.00 H new ATOM 0 HA SER A 13 37.069 0.136 4.267 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.876 -1.128 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.307 -2.074 4.617 1.00 0.00 H new ATOM 0 HG SER A 13 37.218 -3.453 3.233 1.00 0.00 H new ATOM 188 N LEU A 14 35.564 -1.299 1.707 1.00 0.00 N ATOM 189 CA LEU A 14 35.066 -1.027 0.357 1.00 0.00 C ATOM 190 C LEU A 14 34.039 0.088 0.384 1.00 0.00 C ATOM 191 O LEU A 14 34.322 1.208 -0.042 1.00 0.00 O ATOM 192 CB LEU A 14 34.462 -2.280 -0.289 1.00 0.00 C ATOM 193 CG LEU A 14 34.706 -2.425 -1.794 1.00 0.00 C ATOM 194 CD1 LEU A 14 33.521 -3.109 -2.460 1.00 0.00 C ATOM 195 CD2 LEU A 14 34.967 -1.069 -2.433 1.00 0.00 C ATOM 0 H LEU A 14 35.290 -2.205 2.088 1.00 0.00 H new ATOM 0 HA LEU A 14 35.918 -0.715 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 14 34.866 -3.158 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 14 33.387 -2.278 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 14 35.591 -3.044 -1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 14 33.710 -3.205 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 14 33.382 -4.099 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 14 32.622 -2.514 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 14 35.138 -1.197 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 14 34.104 -0.422 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 14 35.847 -0.615 -1.977 1.00 0.00 H new ATOM 207 N SER A 15 32.849 -0.206 0.900 1.00 0.00 N ATOM 208 CA SER A 15 31.811 0.813 0.984 1.00 0.00 C ATOM 209 C SER A 15 32.439 2.120 1.446 1.00 0.00 C ATOM 210 O SER A 15 32.416 3.125 0.733 1.00 0.00 O ATOM 211 CB SER A 15 30.705 0.383 1.951 1.00 0.00 C ATOM 212 OG SER A 15 31.245 -0.031 3.194 1.00 0.00 O ATOM 0 H SER A 15 32.584 -1.123 1.259 1.00 0.00 H new ATOM 0 HA SER A 15 31.360 0.949 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 15 30.014 1.211 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 15 30.130 -0.432 1.511 1.00 0.00 H new ATOM 0 HG SER A 15 30.516 -0.255 3.809 1.00 0.00 H new ATOM 218 N GLN A 16 33.019 2.086 2.640 1.00 0.00 N ATOM 219 CA GLN A 16 33.683 3.247 3.212 1.00 0.00 C ATOM 220 C GLN A 16 34.473 4.006 2.149 1.00 0.00 C ATOM 221 O GLN A 16 34.712 5.205 2.279 1.00 0.00 O ATOM 222 CB GLN A 16 34.625 2.806 4.335 1.00 0.00 C ATOM 223 CG GLN A 16 35.181 3.956 5.154 1.00 0.00 C ATOM 224 CD GLN A 16 36.135 4.832 4.364 1.00 0.00 C ATOM 225 OE1 GLN A 16 36.051 6.059 4.409 1.00 0.00 O ATOM 226 NE2 GLN A 16 37.047 4.204 3.632 1.00 0.00 N ATOM 0 H GLN A 16 33.041 1.257 3.234 1.00 0.00 H new ATOM 0 HA GLN A 16 32.919 3.912 3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 16 34.091 2.125 4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 16 35.454 2.246 3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 16 34.356 4.566 5.523 1.00 0.00 H new ATOM 0 HG3 GLN A 16 35.699 3.558 6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 16 37.081 3.185 3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 16 37.714 4.741 3.078 1.00 0.00 H new ATOM 235 N MET A 17 34.893 3.301 1.104 1.00 0.00 N ATOM 236 CA MET A 17 35.668 3.920 0.039 1.00 0.00 C ATOM 237 C MET A 17 34.780 4.376 -1.121 1.00 0.00 C ATOM 238 O MET A 17 35.087 5.357 -1.796 1.00 0.00 O ATOM 239 CB MET A 17 36.732 2.945 -0.471 1.00 0.00 C ATOM 240 CG MET A 17 37.675 3.551 -1.498 1.00 0.00 C ATOM 241 SD MET A 17 38.293 2.333 -2.676 1.00 0.00 S ATOM 242 CE MET A 17 39.984 2.885 -2.882 1.00 0.00 C ATOM 0 H MET A 17 34.710 2.306 0.973 1.00 0.00 H new ATOM 0 HA MET A 17 36.151 4.804 0.455 1.00 0.00 H new ATOM 0 HB2 MET A 17 37.315 2.583 0.375 1.00 0.00 H new ATOM 0 HB3 MET A 17 36.237 2.079 -0.911 1.00 0.00 H new ATOM 0 HG2 MET A 17 37.157 4.343 -2.038 1.00 0.00 H new ATOM 0 HG3 MET A 17 38.517 4.014 -0.984 1.00 0.00 H new ATOM 0 HE1 MET A 17 40.311 2.682 -3.902 1.00 0.00 H new ATOM 0 HE2 MET A 17 40.043 3.956 -2.688 1.00 0.00 H new ATOM 0 HE3 MET A 17 40.628 2.353 -2.182 1.00 0.00 H new ATOM 252 N LEU A 18 33.694 3.646 -1.365 1.00 0.00 N ATOM 253 CA LEU A 18 32.789 3.973 -2.467 1.00 0.00 C ATOM 254 C LEU A 18 31.850 5.135 -2.131 1.00 0.00 C ATOM 255 O LEU A 18 31.962 6.218 -2.705 1.00 0.00 O ATOM 256 CB LEU A 18 31.965 2.742 -2.853 1.00 0.00 C ATOM 257 CG LEU A 18 32.348 2.098 -4.188 1.00 0.00 C ATOM 258 CD1 LEU A 18 31.857 2.946 -5.352 1.00 0.00 C ATOM 259 CD2 LEU A 18 33.854 1.898 -4.270 1.00 0.00 C ATOM 0 H LEU A 18 33.419 2.829 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 18 33.410 4.286 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.065 1.995 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 18 30.913 3.025 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 18 31.867 1.122 -4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 18 32.139 2.472 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 18 30.772 3.038 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.308 3.937 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.109 1.439 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 18 34.354 2.863 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 18 34.180 1.249 -3.457 1.00 0.00 H new ATOM 271 N SER A 19 30.905 4.891 -1.229 1.00 0.00 N ATOM 272 CA SER A 19 29.914 5.897 -0.842 1.00 0.00 C ATOM 273 C SER A 19 30.482 6.963 0.094 1.00 0.00 C ATOM 274 O SER A 19 29.728 7.753 0.664 1.00 0.00 O ATOM 275 CB SER A 19 28.719 5.217 -0.176 1.00 0.00 C ATOM 276 OG SER A 19 27.851 4.651 -1.144 1.00 0.00 O ATOM 0 H SER A 19 30.802 3.998 -0.747 1.00 0.00 H new ATOM 0 HA SER A 19 29.604 6.403 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 19 29.070 4.439 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 19 28.173 5.942 0.427 1.00 0.00 H new ATOM 0 HG SER A 19 27.095 4.220 -0.693 1.00 0.00 H new ATOM 282 N MET A 20 31.797 6.997 0.253 1.00 0.00 N ATOM 283 CA MET A 20 32.420 7.986 1.124 1.00 0.00 C ATOM 284 C MET A 20 33.273 8.963 0.322 1.00 0.00 C ATOM 285 O MET A 20 33.814 9.923 0.873 1.00 0.00 O ATOM 286 CB MET A 20 33.267 7.300 2.194 1.00 0.00 C ATOM 287 CG MET A 20 33.212 7.986 3.551 1.00 0.00 C ATOM 288 SD MET A 20 31.545 8.032 4.238 1.00 0.00 S ATOM 289 CE MET A 20 31.121 9.754 3.992 1.00 0.00 C ATOM 0 H MET A 20 32.449 6.359 -0.204 1.00 0.00 H new ATOM 0 HA MET A 20 31.626 8.549 1.613 1.00 0.00 H new ATOM 0 HB2 MET A 20 32.932 6.269 2.304 1.00 0.00 H new ATOM 0 HB3 MET A 20 34.303 7.264 1.857 1.00 0.00 H new ATOM 0 HG2 MET A 20 33.872 7.465 4.244 1.00 0.00 H new ATOM 0 HG3 MET A 20 33.590 9.004 3.455 1.00 0.00 H new ATOM 0 HE1 MET A 20 30.081 9.831 3.674 1.00 0.00 H new ATOM 0 HE2 MET A 20 31.256 10.299 4.926 1.00 0.00 H new ATOM 0 HE3 MET A 20 31.767 10.182 3.225 1.00 0.00 H new ATOM 299 N GLY A 21 33.392 8.717 -0.980 1.00 0.00 N ATOM 300 CA GLY A 21 34.183 9.595 -1.822 1.00 0.00 C ATOM 301 C GLY A 21 35.630 9.155 -1.916 1.00 0.00 C ATOM 302 O GLY A 21 36.541 9.965 -1.750 1.00 0.00 O ATOM 0 H GLY A 21 32.958 7.931 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 21 33.749 9.624 -2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 21 34.139 10.610 -1.426 1.00 0.00 H new ATOM 306 N PHE A 22 35.846 7.873 -2.191 1.00 0.00 N ATOM 307 CA PHE A 22 37.189 7.343 -2.314 1.00 0.00 C ATOM 308 C PHE A 22 37.262 6.396 -3.493 1.00 0.00 C ATOM 309 O PHE A 22 36.325 5.641 -3.755 1.00 0.00 O ATOM 310 CB PHE A 22 37.604 6.624 -1.033 1.00 0.00 C ATOM 311 CG PHE A 22 37.708 7.535 0.158 1.00 0.00 C ATOM 312 CD1 PHE A 22 38.118 8.850 0.007 1.00 0.00 C ATOM 313 CD2 PHE A 22 37.399 7.074 1.428 1.00 0.00 C ATOM 314 CE1 PHE A 22 38.215 9.688 1.101 1.00 0.00 C ATOM 315 CE2 PHE A 22 37.494 7.908 2.524 1.00 0.00 C ATOM 316 CZ PHE A 22 37.903 9.217 2.361 1.00 0.00 C ATOM 0 H PHE A 22 35.105 7.186 -2.332 1.00 0.00 H new ATOM 0 HA PHE A 22 37.877 8.172 -2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 22 36.881 5.837 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 22 38.566 6.138 -1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 22 38.364 9.224 -0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 22 37.080 6.051 1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 22 38.535 10.711 0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 22 37.249 7.537 3.508 1.00 0.00 H new ATOM 0 HZ PHE A 22 37.979 9.871 3.217 1.00 0.00 H new ATOM 326 N SER A 23 38.372 6.433 -4.202 1.00 0.00 N ATOM 327 CA SER A 23 38.547 5.567 -5.349 1.00 0.00 C ATOM 328 C SER A 23 39.981 5.053 -5.415 1.00 0.00 C ATOM 329 O SER A 23 40.850 5.539 -4.694 1.00 0.00 O ATOM 330 CB SER A 23 38.195 6.312 -6.637 1.00 0.00 C ATOM 331 OG SER A 23 36.792 6.395 -6.810 1.00 0.00 O ATOM 0 H SER A 23 39.161 7.049 -4.006 1.00 0.00 H new ATOM 0 HA SER A 23 37.876 4.715 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 23 38.621 7.315 -6.609 1.00 0.00 H new ATOM 0 HB3 SER A 23 38.640 5.800 -7.490 1.00 0.00 H new ATOM 0 HG SER A 23 36.343 6.100 -5.990 1.00 0.00 H new ATOM 337 N ASP A 24 40.232 4.076 -6.278 1.00 0.00 N ATOM 338 CA ASP A 24 41.574 3.521 -6.416 1.00 0.00 C ATOM 339 C ASP A 24 42.423 4.378 -7.351 1.00 0.00 C ATOM 340 O ASP A 24 42.114 4.513 -8.535 1.00 0.00 O ATOM 341 CB ASP A 24 41.503 2.086 -6.940 1.00 0.00 C ATOM 342 CG ASP A 24 40.842 2.000 -8.302 1.00 0.00 C ATOM 343 OD1 ASP A 24 39.606 2.167 -8.375 1.00 0.00 O ATOM 344 OD2 ASP A 24 41.559 1.763 -9.298 1.00 0.00 O ATOM 0 H ASP A 24 39.532 3.654 -6.888 1.00 0.00 H new ATOM 0 HA ASP A 24 42.043 3.517 -5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 24 42.510 1.674 -7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.950 1.470 -6.231 1.00 0.00 H new ATOM 349 N GLU A 25 43.484 4.966 -6.807 1.00 0.00 N ATOM 350 CA GLU A 25 44.364 5.821 -7.593 1.00 0.00 C ATOM 351 C GLU A 25 45.415 4.999 -8.321 1.00 0.00 C ATOM 352 O GLU A 25 46.613 5.255 -8.201 1.00 0.00 O ATOM 353 CB GLU A 25 45.037 6.872 -6.704 1.00 0.00 C ATOM 354 CG GLU A 25 45.710 7.987 -7.489 1.00 0.00 C ATOM 355 CD GLU A 25 47.215 8.001 -7.307 1.00 0.00 C ATOM 356 OE1 GLU A 25 47.684 7.635 -6.208 1.00 0.00 O ATOM 357 OE2 GLU A 25 47.926 8.375 -8.263 1.00 0.00 O ATOM 0 H GLU A 25 43.754 4.866 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 25 43.753 6.333 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 25 44.291 7.306 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 25 45.779 6.382 -6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 25 45.477 7.873 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 25 45.301 8.947 -7.174 1.00 0.00 H new ATOM 364 N GLY A 26 44.958 4.016 -9.089 1.00 0.00 N ATOM 365 CA GLY A 26 45.876 3.185 -9.838 1.00 0.00 C ATOM 366 C GLY A 26 45.490 1.715 -9.871 1.00 0.00 C ATOM 367 O GLY A 26 46.244 0.889 -10.384 1.00 0.00 O ATOM 0 H GLY A 26 43.972 3.782 -9.205 1.00 0.00 H new ATOM 0 HA2 GLY A 26 45.936 3.558 -10.861 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.872 3.279 -9.405 1.00 0.00 H new ATOM 371 N GLY A 27 44.328 1.378 -9.319 1.00 0.00 N ATOM 372 CA GLY A 27 43.899 -0.011 -9.303 1.00 0.00 C ATOM 373 C GLY A 27 44.650 -0.816 -8.266 1.00 0.00 C ATOM 374 O GLY A 27 44.897 -2.009 -8.443 1.00 0.00 O ATOM 0 H GLY A 27 43.680 2.035 -8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 27 42.830 -0.059 -9.097 1.00 0.00 H new ATOM 0 HA3 GLY A 27 44.054 -0.451 -10.288 1.00 0.00 H new ATOM 378 N TRP A 28 45.014 -0.149 -7.178 1.00 0.00 N ATOM 379 CA TRP A 28 45.744 -0.779 -6.092 1.00 0.00 C ATOM 380 C TRP A 28 44.802 -1.231 -4.988 1.00 0.00 C ATOM 381 O TRP A 28 45.100 -2.175 -4.270 1.00 0.00 O ATOM 382 CB TRP A 28 46.761 0.196 -5.510 1.00 0.00 C ATOM 383 CG TRP A 28 46.171 1.544 -5.266 1.00 0.00 C ATOM 384 CD1 TRP A 28 46.378 2.667 -6.003 1.00 0.00 C ATOM 385 CD2 TRP A 28 45.255 1.906 -4.226 1.00 0.00 C ATOM 386 NE1 TRP A 28 45.649 3.706 -5.486 1.00 0.00 N ATOM 387 CE2 TRP A 28 44.952 3.265 -4.397 1.00 0.00 C ATOM 388 CE3 TRP A 28 44.663 1.213 -3.169 1.00 0.00 C ATOM 389 CZ2 TRP A 28 44.082 3.947 -3.552 1.00 0.00 C ATOM 390 CZ3 TRP A 28 43.798 1.888 -2.330 1.00 0.00 C ATOM 391 CH2 TRP A 28 43.514 3.244 -2.526 1.00 0.00 C ATOM 0 H TRP A 28 44.811 0.839 -7.026 1.00 0.00 H new ATOM 0 HA TRP A 28 46.256 -1.652 -6.497 1.00 0.00 H new ATOM 0 HB2 TRP A 28 47.151 -0.203 -4.574 1.00 0.00 H new ATOM 0 HB3 TRP A 28 47.605 0.289 -6.193 1.00 0.00 H new ATOM 0 HD1 TRP A 28 47.022 2.731 -6.868 1.00 0.00 H new ATOM 0 HE1 TRP A 28 45.630 4.657 -5.855 1.00 0.00 H new ATOM 0 HE3 TRP A 28 44.878 0.167 -3.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 43.863 4.994 -3.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 43.334 1.361 -1.510 1.00 0.00 H new ATOM 0 HH2 TRP A 28 42.833 3.745 -1.854 1.00 0.00 H new ATOM 402 N LEU A 29 43.673 -0.545 -4.839 1.00 0.00 N ATOM 403 CA LEU A 29 42.719 -0.891 -3.792 1.00 0.00 C ATOM 404 C LEU A 29 42.612 -2.402 -3.657 1.00 0.00 C ATOM 405 O LEU A 29 42.981 -2.967 -2.627 1.00 0.00 O ATOM 406 CB LEU A 29 41.352 -0.249 -4.077 1.00 0.00 C ATOM 407 CG LEU A 29 40.119 -1.085 -3.708 1.00 0.00 C ATOM 408 CD1 LEU A 29 39.641 -0.740 -2.306 1.00 0.00 C ATOM 409 CD2 LEU A 29 39.007 -0.859 -4.720 1.00 0.00 C ATOM 0 H LEU A 29 43.399 0.245 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 29 43.076 -0.496 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 29 41.299 0.696 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 29 41.300 -0.013 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 29 40.396 -2.139 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.766 -1.342 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 29 40.436 -0.947 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 29 39.378 0.317 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 29 38.139 -1.458 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.732 0.196 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 29 39.352 -1.152 -5.711 1.00 0.00 H new ATOM 421 N THR A 30 42.117 -3.057 -4.699 1.00 0.00 N ATOM 422 CA THR A 30 41.985 -4.508 -4.679 1.00 0.00 C ATOM 423 C THR A 30 43.254 -5.148 -4.124 1.00 0.00 C ATOM 424 O THR A 30 43.219 -6.244 -3.570 1.00 0.00 O ATOM 425 CB THR A 30 41.703 -5.039 -6.085 1.00 0.00 C ATOM 426 OG1 THR A 30 42.590 -4.463 -7.026 1.00 0.00 O ATOM 427 CG2 THR A 30 40.291 -4.763 -6.559 1.00 0.00 C ATOM 0 H THR A 30 41.803 -2.612 -5.561 1.00 0.00 H new ATOM 0 HA THR A 30 41.147 -4.768 -4.032 1.00 0.00 H new ATOM 0 HB THR A 30 41.843 -6.118 -6.018 1.00 0.00 H new ATOM 0 HG1 THR A 30 42.395 -4.817 -7.919 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.159 -5.166 -7.563 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.581 -5.237 -5.881 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.116 -3.687 -6.574 1.00 0.00 H new ATOM 435 N ARG A 31 44.373 -4.444 -4.278 1.00 0.00 N ATOM 436 CA ARG A 31 45.665 -4.921 -3.792 1.00 0.00 C ATOM 437 C ARG A 31 45.975 -4.348 -2.407 1.00 0.00 C ATOM 438 O ARG A 31 46.033 -5.077 -1.417 1.00 0.00 O ATOM 439 CB ARG A 31 46.777 -4.530 -4.774 1.00 0.00 C ATOM 440 CG ARG A 31 46.273 -4.119 -6.150 1.00 0.00 C ATOM 441 CD ARG A 31 45.576 -5.269 -6.858 1.00 0.00 C ATOM 442 NE ARG A 31 46.439 -5.916 -7.845 1.00 0.00 N ATOM 443 CZ ARG A 31 46.900 -5.307 -8.934 1.00 0.00 C ATOM 444 NH1 ARG A 31 46.598 -4.036 -9.165 1.00 0.00 N ATOM 445 NH2 ARG A 31 47.665 -5.970 -9.792 1.00 0.00 N ATOM 0 H ARG A 31 44.410 -3.535 -4.739 1.00 0.00 H new ATOM 0 HA ARG A 31 45.616 -6.007 -3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 31 47.351 -3.707 -4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 31 47.461 -5.371 -4.886 1.00 0.00 H new ATOM 0 HG2 ARG A 31 45.583 -3.281 -6.050 1.00 0.00 H new ATOM 0 HG3 ARG A 31 47.110 -3.772 -6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 31 45.254 -6.005 -6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 31 44.678 -4.898 -7.351 1.00 0.00 H new ATOM 0 HE ARG A 31 46.702 -6.889 -7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 31 46.011 -3.524 -8.507 1.00 0.00 H new ATOM 0 HH12 ARG A 31 46.953 -3.571 -10.001 1.00 0.00 H new ATOM 0 HH21 ARG A 31 47.900 -6.947 -9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 31 48.018 -5.503 -10.627 1.00 0.00 H new ATOM 459 N LEU A 32 46.168 -3.031 -2.353 1.00 0.00 N ATOM 460 CA LEU A 32 46.467 -2.331 -1.109 1.00 0.00 C ATOM 461 C LEU A 32 45.663 -2.892 0.062 1.00 0.00 C ATOM 462 O LEU A 32 46.224 -3.359 1.053 1.00 0.00 O ATOM 463 CB LEU A 32 46.157 -0.844 -1.284 1.00 0.00 C ATOM 464 CG LEU A 32 46.574 0.059 -0.125 1.00 0.00 C ATOM 465 CD1 LEU A 32 45.773 -0.274 1.123 1.00 0.00 C ATOM 466 CD2 LEU A 32 48.064 -0.070 0.133 1.00 0.00 C ATOM 0 H LEU A 32 46.121 -2.422 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 32 47.524 -2.473 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 32 46.651 -0.493 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 32 45.084 -0.731 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 32 46.364 1.094 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.083 0.379 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 32 44.711 -0.127 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.950 -1.313 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 32 48.347 0.579 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 32 48.302 -1.104 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 32 48.615 0.222 -0.761 1.00 0.00 H new ATOM 478 N LEU A 33 44.342 -2.827 -0.061 1.00 0.00 N ATOM 479 CA LEU A 33 43.440 -3.308 0.981 1.00 0.00 C ATOM 480 C LEU A 33 43.635 -4.800 1.257 1.00 0.00 C ATOM 481 O LEU A 33 43.958 -5.198 2.376 1.00 0.00 O ATOM 482 CB LEU A 33 41.993 -3.033 0.568 1.00 0.00 C ATOM 483 CG LEU A 33 41.439 -1.680 1.018 1.00 0.00 C ATOM 484 CD1 LEU A 33 41.883 -0.581 0.066 1.00 0.00 C ATOM 485 CD2 LEU A 33 39.923 -1.731 1.110 1.00 0.00 C ATOM 0 H LEU A 33 43.868 -2.443 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 33 43.670 -2.773 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 33 41.923 -3.094 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 33 41.359 -3.821 0.974 1.00 0.00 H new ATOM 0 HG LEU A 33 41.835 -1.455 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 33 41.480 0.375 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 33 42.972 -0.531 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 33 41.516 -0.798 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 33 39.545 -0.760 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 33 39.507 -1.977 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 33 39.628 -2.492 1.832 1.00 0.00 H new ATOM 497 N GLN A 34 43.417 -5.614 0.234 1.00 0.00 N ATOM 498 CA GLN A 34 43.545 -7.065 0.348 1.00 0.00 C ATOM 499 C GLN A 34 44.794 -7.490 1.123 1.00 0.00 C ATOM 500 O GLN A 34 44.817 -8.566 1.722 1.00 0.00 O ATOM 501 CB GLN A 34 43.576 -7.688 -1.044 1.00 0.00 C ATOM 502 CG GLN A 34 42.219 -8.175 -1.525 1.00 0.00 C ATOM 503 CD GLN A 34 41.262 -7.037 -1.820 1.00 0.00 C ATOM 504 OE1 GLN A 34 40.876 -6.816 -2.968 1.00 0.00 O ATOM 505 NE2 GLN A 34 40.873 -6.304 -0.782 1.00 0.00 N ATOM 0 H GLN A 34 43.147 -5.292 -0.696 1.00 0.00 H new ATOM 0 HA GLN A 34 42.679 -7.420 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 34 43.961 -6.954 -1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 34 44.273 -8.526 -1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 34 42.351 -8.776 -2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 34 41.781 -8.826 -0.768 1.00 0.00 H new ATOM 0 HE21 GLN A 34 41.217 -6.521 0.153 1.00 0.00 H new ATOM 0 HE22 GLN A 34 40.230 -5.524 -0.921 1.00 0.00 H new ATOM 514 N THR A 35 45.832 -6.659 1.109 1.00 0.00 N ATOM 515 CA THR A 35 47.066 -6.992 1.819 1.00 0.00 C ATOM 516 C THR A 35 46.971 -6.598 3.287 1.00 0.00 C ATOM 517 O THR A 35 46.984 -7.451 4.176 1.00 0.00 O ATOM 518 CB THR A 35 48.259 -6.288 1.171 1.00 0.00 C ATOM 519 OG1 THR A 35 47.847 -5.542 0.039 1.00 0.00 O ATOM 520 CG2 THR A 35 49.345 -7.242 0.722 1.00 0.00 C ATOM 0 H THR A 35 45.846 -5.763 0.622 1.00 0.00 H new ATOM 0 HA THR A 35 47.210 -8.071 1.757 1.00 0.00 H new ATOM 0 HB THR A 35 48.666 -5.638 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 35 47.253 -6.090 -0.515 1.00 0.00 H new ATOM 0 HG21 THR A 35 50.161 -6.678 0.271 1.00 0.00 H new ATOM 0 HG22 THR A 35 49.719 -7.798 1.582 1.00 0.00 H new ATOM 0 HG23 THR A 35 48.937 -7.938 -0.011 1.00 0.00 H new ATOM 528 N LYS A 36 46.891 -5.298 3.532 1.00 0.00 N ATOM 529 CA LYS A 36 46.808 -4.760 4.889 1.00 0.00 C ATOM 530 C LYS A 36 45.444 -5.019 5.538 1.00 0.00 C ATOM 531 O LYS A 36 44.915 -4.153 6.235 1.00 0.00 O ATOM 532 CB LYS A 36 47.091 -3.256 4.868 1.00 0.00 C ATOM 533 CG LYS A 36 48.514 -2.910 4.466 1.00 0.00 C ATOM 534 CD LYS A 36 48.634 -2.730 2.962 1.00 0.00 C ATOM 535 CE LYS A 36 49.898 -1.972 2.591 1.00 0.00 C ATOM 536 NZ LYS A 36 51.064 -2.884 2.436 1.00 0.00 N ATOM 0 H LYS A 36 46.882 -4.586 2.801 1.00 0.00 H new ATOM 0 HA LYS A 36 47.558 -5.276 5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 36 46.400 -2.774 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 36 46.891 -2.843 5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 36 48.824 -1.995 4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 36 49.189 -3.700 4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 36 48.638 -3.706 2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 36 47.763 -2.192 2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 36 49.736 -1.428 1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 36 50.116 -1.231 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 51.907 -2.330 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 51.235 -3.385 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 50.866 -3.576 1.685 1.00 0.00 H new ATOM 550 N ASN A 37 44.866 -6.200 5.310 1.00 0.00 N ATOM 551 CA ASN A 37 43.565 -6.525 5.881 1.00 0.00 C ATOM 552 C ASN A 37 42.562 -5.440 5.525 1.00 0.00 C ATOM 553 O ASN A 37 42.127 -4.679 6.390 1.00 0.00 O ATOM 554 CB ASN A 37 43.660 -6.674 7.404 1.00 0.00 C ATOM 555 CG ASN A 37 45.072 -6.489 7.927 1.00 0.00 C ATOM 556 OD1 ASN A 37 45.891 -7.408 7.875 1.00 0.00 O ATOM 557 ND2 ASN A 37 45.365 -5.297 8.433 1.00 0.00 N ATOM 0 H ASN A 37 45.277 -6.939 4.739 1.00 0.00 H new ATOM 0 HA ASN A 37 43.231 -7.476 5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 37 43.004 -5.944 7.877 1.00 0.00 H new ATOM 0 HB3 ASN A 37 43.298 -7.661 7.691 1.00 0.00 H new ATOM 0 HD21 ASN A 37 46.299 -5.114 8.799 1.00 0.00 H new ATOM 0 HD22 ASN A 37 44.656 -4.564 8.456 1.00 0.00 H new ATOM 564 N TYR A 38 42.215 -5.375 4.239 1.00 0.00 N ATOM 565 CA TYR A 38 41.274 -4.372 3.746 1.00 0.00 C ATOM 566 C TYR A 38 41.412 -3.097 4.566 1.00 0.00 C ATOM 567 O TYR A 38 40.451 -2.616 5.167 1.00 0.00 O ATOM 568 CB TYR A 38 39.843 -4.904 3.816 1.00 0.00 C ATOM 569 CG TYR A 38 39.681 -6.268 3.185 1.00 0.00 C ATOM 570 CD1 TYR A 38 40.100 -7.415 3.848 1.00 0.00 C ATOM 571 CD2 TYR A 38 39.116 -6.410 1.923 1.00 0.00 C ATOM 572 CE1 TYR A 38 39.960 -8.663 3.274 1.00 0.00 C ATOM 573 CE2 TYR A 38 38.972 -7.655 1.342 1.00 0.00 C ATOM 574 CZ TYR A 38 39.396 -8.778 2.021 1.00 0.00 C ATOM 575 OH TYR A 38 39.254 -10.021 1.445 1.00 0.00 O ATOM 0 H TYR A 38 42.572 -6.005 3.521 1.00 0.00 H new ATOM 0 HA TYR A 38 41.502 -4.149 2.704 1.00 0.00 H new ATOM 0 HB2 TYR A 38 39.532 -4.955 4.860 1.00 0.00 H new ATOM 0 HB3 TYR A 38 39.176 -4.200 3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 38 40.543 -7.329 4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 38 38.784 -5.533 1.388 1.00 0.00 H new ATOM 0 HE1 TYR A 38 40.290 -9.544 3.804 1.00 0.00 H new ATOM 0 HE2 TYR A 38 38.530 -7.748 0.361 1.00 0.00 H new ATOM 0 HH TYR A 38 38.838 -9.927 0.563 1.00 0.00 H new ATOM 585 N ASP A 39 42.637 -2.587 4.613 1.00 0.00 N ATOM 586 CA ASP A 39 42.951 -1.397 5.392 1.00 0.00 C ATOM 587 C ASP A 39 42.399 -0.124 4.767 1.00 0.00 C ATOM 588 O ASP A 39 42.532 0.115 3.566 1.00 0.00 O ATOM 589 CB ASP A 39 44.463 -1.271 5.569 1.00 0.00 C ATOM 590 CG ASP A 39 44.892 -1.444 7.013 1.00 0.00 C ATOM 591 OD1 ASP A 39 44.006 -1.592 7.881 1.00 0.00 O ATOM 592 OD2 ASP A 39 46.113 -1.434 7.274 1.00 0.00 O ATOM 0 H ASP A 39 43.435 -2.984 4.116 1.00 0.00 H new ATOM 0 HA ASP A 39 42.470 -1.516 6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 39 44.962 -2.019 4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 39 44.788 -0.294 5.211 1.00 0.00 H new ATOM 597 N ILE A 40 41.825 0.708 5.623 1.00 0.00 N ATOM 598 CA ILE A 40 41.292 1.996 5.221 1.00 0.00 C ATOM 599 C ILE A 40 42.374 3.036 5.413 1.00 0.00 C ATOM 600 O ILE A 40 42.539 3.954 4.610 1.00 0.00 O ATOM 601 CB ILE A 40 40.051 2.403 6.046 1.00 0.00 C ATOM 602 CG1 ILE A 40 39.510 1.208 6.828 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.973 2.980 5.140 1.00 0.00 C ATOM 604 CD1 ILE A 40 39.003 0.087 5.944 1.00 0.00 C ATOM 0 H ILE A 40 41.717 0.506 6.617 1.00 0.00 H new ATOM 0 HA ILE A 40 40.982 1.926 4.178 1.00 0.00 H new ATOM 0 HB ILE A 40 40.350 3.172 6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 40 40.297 0.822 7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.700 1.544 7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 40 38.107 3.261 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 40 39.361 3.860 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 40 38.678 2.232 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 40 38.634 -0.728 6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 40 38.194 0.458 5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 40 39.816 -0.276 5.315 1.00 0.00 H new ATOM 616 N GLY A 41 43.114 2.864 6.505 1.00 0.00 N ATOM 617 CA GLY A 41 44.187 3.768 6.828 1.00 0.00 C ATOM 618 C GLY A 41 45.074 4.029 5.643 1.00 0.00 C ATOM 619 O GLY A 41 45.434 5.170 5.353 1.00 0.00 O ATOM 0 H GLY A 41 42.982 2.105 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 41 43.773 4.710 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 41 44.781 3.351 7.641 1.00 0.00 H new ATOM 623 N ALA A 42 45.408 2.961 4.948 1.00 0.00 N ATOM 624 CA ALA A 42 46.244 3.049 3.762 1.00 0.00 C ATOM 625 C ALA A 42 45.384 3.390 2.565 1.00 0.00 C ATOM 626 O ALA A 42 45.775 4.150 1.684 1.00 0.00 O ATOM 627 CB ALA A 42 46.994 1.745 3.535 1.00 0.00 C ATOM 0 H ALA A 42 45.112 2.014 5.184 1.00 0.00 H new ATOM 0 HA ALA A 42 46.984 3.837 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 42 47.614 1.832 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 42 47.627 1.534 4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.279 0.933 3.403 1.00 0.00 H new ATOM 633 N ALA A 43 44.209 2.800 2.550 1.00 0.00 N ATOM 634 CA ALA A 43 43.261 3.015 1.472 1.00 0.00 C ATOM 635 C ALA A 43 43.254 4.477 1.040 1.00 0.00 C ATOM 636 O ALA A 43 43.291 4.774 -0.145 1.00 0.00 O ATOM 637 CB ALA A 43 41.867 2.579 1.894 1.00 0.00 C ATOM 0 H ALA A 43 43.883 2.163 3.276 1.00 0.00 H new ATOM 0 HA ALA A 43 43.571 2.409 0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 43 41.169 2.747 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 43 41.879 1.519 2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 43 41.552 3.157 2.763 1.00 0.00 H new ATOM 643 N LEU A 44 43.220 5.389 2.006 1.00 0.00 N ATOM 644 CA LEU A 44 43.218 6.820 1.703 1.00 0.00 C ATOM 645 C LEU A 44 44.614 7.295 1.303 1.00 0.00 C ATOM 646 O LEU A 44 44.778 8.320 0.642 1.00 0.00 O ATOM 647 CB LEU A 44 42.721 7.618 2.911 1.00 0.00 C ATOM 648 CG LEU A 44 41.212 7.556 3.148 1.00 0.00 C ATOM 649 CD1 LEU A 44 40.829 6.240 3.805 1.00 0.00 C ATOM 650 CD2 LEU A 44 40.758 8.730 4.002 1.00 0.00 C ATOM 0 H LEU A 44 43.194 5.167 3.001 1.00 0.00 H new ATOM 0 HA LEU A 44 42.543 6.987 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 44 43.229 7.253 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 44 43.011 8.661 2.783 1.00 0.00 H new ATOM 0 HG LEU A 44 40.709 7.618 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 44 39.751 6.214 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.119 5.412 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 44 41.341 6.149 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 44 39.681 8.670 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 44 41.269 8.699 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 44 40.998 9.664 3.494 1.00 0.00 H new ATOM 662 N ASP A 45 45.608 6.534 1.729 1.00 0.00 N ATOM 663 CA ASP A 45 47.006 6.838 1.456 1.00 0.00 C ATOM 664 C ASP A 45 47.235 7.309 0.020 1.00 0.00 C ATOM 665 O ASP A 45 47.769 8.395 -0.204 1.00 0.00 O ATOM 666 CB ASP A 45 47.872 5.609 1.732 1.00 0.00 C ATOM 667 CG ASP A 45 49.315 5.972 2.026 1.00 0.00 C ATOM 668 OD1 ASP A 45 50.012 6.428 1.095 1.00 0.00 O ATOM 669 OD2 ASP A 45 49.746 5.799 3.185 1.00 0.00 O ATOM 0 H ASP A 45 45.469 5.684 2.276 1.00 0.00 H new ATOM 0 HA ASP A 45 47.289 7.656 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 45 47.459 5.060 2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 45 47.836 4.942 0.871 1.00 0.00 H new ATOM 674 N THR A 46 46.877 6.471 -0.950 1.00 0.00 N ATOM 675 CA THR A 46 47.103 6.801 -2.357 1.00 0.00 C ATOM 676 C THR A 46 45.888 7.414 -3.060 1.00 0.00 C ATOM 677 O THR A 46 45.989 7.812 -4.221 1.00 0.00 O ATOM 678 CB THR A 46 47.558 5.555 -3.119 1.00 0.00 C ATOM 679 OG1 THR A 46 46.661 4.480 -2.905 1.00 0.00 O ATOM 680 CG2 THR A 46 48.941 5.084 -2.725 1.00 0.00 C ATOM 0 H THR A 46 46.433 5.566 -0.791 1.00 0.00 H new ATOM 0 HA THR A 46 47.880 7.566 -2.363 1.00 0.00 H new ATOM 0 HB THR A 46 47.577 5.850 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.993 4.464 -3.622 1.00 0.00 H new ATOM 0 HG21 THR A 46 49.202 4.197 -3.303 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.665 5.874 -2.926 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.954 4.841 -1.662 1.00 0.00 H new ATOM 688 N ILE A 47 44.740 7.481 -2.393 1.00 0.00 N ATOM 689 CA ILE A 47 43.548 8.037 -3.032 1.00 0.00 C ATOM 690 C ILE A 47 43.529 9.563 -3.015 1.00 0.00 C ATOM 691 O ILE A 47 43.334 10.192 -4.053 1.00 0.00 O ATOM 692 CB ILE A 47 42.247 7.513 -2.391 1.00 0.00 C ATOM 693 CG1 ILE A 47 41.939 8.280 -1.105 1.00 0.00 C ATOM 694 CG2 ILE A 47 42.353 6.023 -2.118 1.00 0.00 C ATOM 695 CD1 ILE A 47 40.725 7.757 -0.368 1.00 0.00 C ATOM 0 H ILE A 47 44.608 7.166 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 47 43.597 7.701 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 47 41.426 7.674 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 47 42.805 8.230 -0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 47 41.783 9.331 -1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 47 41.427 5.669 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 47 42.525 5.493 -3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 47 43.184 5.836 -1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 47 40.565 8.347 0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 47 39.848 7.833 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.886 6.714 -0.096 1.00 0.00 H new ATOM 707 N GLN A 48 43.723 10.160 -1.839 1.00 0.00 N ATOM 708 CA GLN A 48 43.706 11.617 -1.721 1.00 0.00 C ATOM 709 C GLN A 48 44.472 12.096 -0.487 1.00 0.00 C ATOM 710 O GLN A 48 44.235 13.199 0.002 1.00 0.00 O ATOM 711 CB GLN A 48 42.261 12.119 -1.642 1.00 0.00 C ATOM 712 CG GLN A 48 41.548 12.168 -2.985 1.00 0.00 C ATOM 713 CD GLN A 48 40.380 11.202 -3.058 1.00 0.00 C ATOM 714 OE1 GLN A 48 39.330 11.434 -2.459 1.00 0.00 O ATOM 715 NE2 GLN A 48 40.558 10.113 -3.796 1.00 0.00 N ATOM 0 H GLN A 48 43.892 9.664 -0.964 1.00 0.00 H new ATOM 0 HA GLN A 48 44.196 12.022 -2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 48 41.699 11.473 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 48 42.258 13.117 -1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 48 41.189 13.181 -3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 48 42.258 11.935 -3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.445 9.961 -4.275 1.00 0.00 H new ATOM 0 HE22 GLN A 48 39.807 9.428 -3.884 1.00 0.00 H new ATOM 724 N TYR A 49 45.387 11.271 0.009 1.00 0.00 N ATOM 725 CA TYR A 49 46.171 11.638 1.186 1.00 0.00 C ATOM 726 C TYR A 49 47.398 10.749 1.344 1.00 0.00 C ATOM 727 O TYR A 49 47.314 9.663 1.913 1.00 0.00 O ATOM 728 CB TYR A 49 45.308 11.550 2.447 1.00 0.00 C ATOM 729 CG TYR A 49 44.181 12.557 2.483 1.00 0.00 C ATOM 730 CD1 TYR A 49 44.443 13.917 2.598 1.00 0.00 C ATOM 731 CD2 TYR A 49 42.856 12.149 2.397 1.00 0.00 C ATOM 732 CE1 TYR A 49 43.416 14.841 2.627 1.00 0.00 C ATOM 733 CE2 TYR A 49 41.824 13.068 2.424 1.00 0.00 C ATOM 734 CZ TYR A 49 42.109 14.412 2.540 1.00 0.00 C ATOM 735 OH TYR A 49 41.084 15.329 2.565 1.00 0.00 O ATOM 0 H TYR A 49 45.604 10.353 -0.379 1.00 0.00 H new ATOM 0 HA TYR A 49 46.510 12.664 1.046 1.00 0.00 H new ATOM 0 HB2 TYR A 49 44.889 10.546 2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 49 45.942 11.696 3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 49 45.466 14.257 2.666 1.00 0.00 H new ATOM 0 HD2 TYR A 49 42.629 11.097 2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 49 43.636 15.894 2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 49 40.799 12.735 2.355 1.00 0.00 H new ATOM 0 HH TYR A 49 40.225 14.862 2.493 1.00 0.00 H new ATOM 745 N SER A 50 48.539 11.220 0.854 1.00 0.00 N ATOM 746 CA SER A 50 49.783 10.466 0.961 1.00 0.00 C ATOM 747 C SER A 50 50.660 11.045 2.067 1.00 0.00 C ATOM 748 O SER A 50 51.880 11.131 1.926 1.00 0.00 O ATOM 749 CB SER A 50 50.536 10.488 -0.371 1.00 0.00 C ATOM 750 OG SER A 50 49.914 9.646 -1.325 1.00 0.00 O ATOM 0 H SER A 50 48.629 12.119 0.380 1.00 0.00 H new ATOM 0 HA SER A 50 49.540 9.433 1.209 1.00 0.00 H new ATOM 0 HB2 SER A 50 50.575 11.508 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 50 51.566 10.167 -0.215 1.00 0.00 H new ATOM 0 HG SER A 50 49.145 9.199 -0.914 1.00 0.00 H new ATOM 756 N LYS A 51 50.024 11.450 3.162 1.00 0.00 N ATOM 757 CA LYS A 51 50.735 12.031 4.291 1.00 0.00 C ATOM 758 C LYS A 51 50.032 11.687 5.597 1.00 0.00 C ATOM 759 O LYS A 51 49.255 12.484 6.122 1.00 0.00 O ATOM 760 CB LYS A 51 50.820 13.550 4.129 1.00 0.00 C ATOM 761 CG LYS A 51 51.838 14.209 5.045 1.00 0.00 C ATOM 762 CD LYS A 51 52.474 15.422 4.384 1.00 0.00 C ATOM 763 CE LYS A 51 51.423 16.346 3.787 1.00 0.00 C ATOM 764 NZ LYS A 51 51.764 16.751 2.395 1.00 0.00 N ATOM 0 H LYS A 51 49.014 11.385 3.290 1.00 0.00 H new ATOM 0 HA LYS A 51 51.743 11.617 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 51 51.072 13.782 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 51 49.838 13.982 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 51 51.353 14.511 5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 51 52.612 13.489 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 51 53.066 15.969 5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 51 53.159 15.094 3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 51 50.455 15.845 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 51 51.326 17.235 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 51.023 17.380 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 52.676 17.251 2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 51.832 15.905 1.794 1.00 0.00 H new ATOM 778 N HIS A 52 50.306 10.497 6.119 1.00 0.00 N ATOM 779 CA HIS A 52 49.692 10.057 7.363 1.00 0.00 C ATOM 780 C HIS A 52 50.753 9.701 8.398 1.00 0.00 C ATOM 781 O HIS A 52 51.896 9.404 7.992 1.00 0.00 O ATOM 782 CB HIS A 52 48.785 8.850 7.110 1.00 0.00 C ATOM 783 CG HIS A 52 47.417 8.996 7.700 1.00 0.00 C ATOM 784 ND1 HIS A 52 46.273 8.506 7.111 1.00 0.00 N ATOM 785 CD2 HIS A 52 47.020 9.595 8.852 1.00 0.00 C ATOM 786 CE1 HIS A 52 45.238 8.815 7.905 1.00 0.00 C ATOM 787 NE2 HIS A 52 45.638 9.476 8.974 1.00 0.00 N ATOM 788 OXT HIS A 52 50.433 9.722 9.605 1.00 0.00 O ATOM 0 H HIS A 52 50.947 9.823 5.701 1.00 0.00 H new ATOM 0 HA HIS A 52 49.092 10.879 7.753 1.00 0.00 H new ATOM 0 HB2 HIS A 52 48.693 8.693 6.035 1.00 0.00 H new ATOM 0 HB3 HIS A 52 49.257 7.958 7.523 1.00 0.00 H new ATOM 0 HD2 HIS A 52 47.672 10.085 9.560 1.00 0.00 H new ATOM 0 HE1 HIS A 52 44.210 8.556 7.696 1.00 0.00 H new ATOM 0 HE2 HIS A 52 45.055 9.828 9.734 1.00 0.00 H new TER 796 HIS A 52