USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=15 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+ -107:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 100:sc= -0.894 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -2.05 F(o=-5.1!,f=-2.1) USER MOD Single : A 17 MET CE :methyl -124:sc= -8.46! (180deg=-9.35!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.219 K(o=-0.22,f=-1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.6!) USER MOD Single : A 38 TYR OH : rot 107:sc= -4.34! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.548! C(o=-0.55!,f=-1.2!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -115:sc= -0.0114 (180deg=-0.297) USER MOD Single : A 52 HIS : no HD1:sc= -0.0426 X(o=-0.043,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.985 13.328 9.884 1.00 0.00 N ATOM 2 CA GLY A 1 20.805 13.503 8.415 1.00 0.00 C ATOM 3 C GLY A 1 19.731 12.538 7.911 1.00 0.00 C ATOM 4 O GLY A 1 19.198 11.741 8.658 1.00 0.00 O ATOM 0 H1 GLY A 1 20.571 14.141 10.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.511 12.455 10.190 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.999 13.267 10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.517 14.531 8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.747 13.317 7.898 1.00 0.00 H new ATOM 10 N SER A 2 19.408 12.602 6.648 1.00 0.00 N ATOM 11 CA SER A 2 18.368 11.688 6.095 1.00 0.00 C ATOM 12 C SER A 2 17.082 11.787 6.920 1.00 0.00 C ATOM 13 O SER A 2 16.748 10.884 7.661 1.00 0.00 O ATOM 14 CB SER A 2 18.969 10.288 6.209 1.00 0.00 C ATOM 15 OG SER A 2 19.931 10.104 5.178 1.00 0.00 O ATOM 0 H SER A 2 19.820 13.248 5.975 1.00 0.00 H new ATOM 0 HA SER A 2 18.106 11.937 5.067 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.436 10.159 7.185 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.185 9.535 6.129 1.00 0.00 H new ATOM 0 HG SER A 2 20.320 9.207 5.250 1.00 0.00 H new ATOM 21 N PRO A 3 16.401 12.889 6.759 1.00 0.00 N ATOM 22 CA PRO A 3 15.134 13.117 7.496 1.00 0.00 C ATOM 23 C PRO A 3 14.015 12.244 6.918 1.00 0.00 C ATOM 24 O PRO A 3 14.177 11.631 5.882 1.00 0.00 O ATOM 25 CB PRO A 3 14.845 14.597 7.262 1.00 0.00 C ATOM 26 CG PRO A 3 15.552 14.934 5.988 1.00 0.00 C ATOM 27 CD PRO A 3 16.743 14.016 5.884 1.00 0.00 C ATOM 0 HA PRO A 3 15.201 12.863 8.554 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.774 14.781 7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.211 15.206 8.089 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.889 14.802 5.133 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.869 15.977 5.988 1.00 0.00 H new ATOM 0 HD2 PRO A 3 16.906 13.689 4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 3 17.658 14.511 6.210 1.00 0.00 H new ATOM 35 N PRO A 4 12.912 12.222 7.615 1.00 0.00 N ATOM 36 CA PRO A 4 11.745 11.420 7.175 1.00 0.00 C ATOM 37 C PRO A 4 11.002 12.122 6.032 1.00 0.00 C ATOM 38 O PRO A 4 9.950 11.688 5.607 1.00 0.00 O ATOM 39 CB PRO A 4 10.871 11.353 8.424 1.00 0.00 C ATOM 40 CG PRO A 4 11.239 12.560 9.231 1.00 0.00 C ATOM 41 CD PRO A 4 12.655 12.935 8.870 1.00 0.00 C ATOM 0 HA PRO A 4 12.023 10.437 6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.813 11.362 8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.054 10.435 8.983 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.558 13.385 9.019 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.159 12.347 10.297 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.761 14.012 8.744 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.356 12.635 9.648 1.00 0.00 H new ATOM 49 N GLU A 5 11.537 13.203 5.533 1.00 0.00 N ATOM 50 CA GLU A 5 10.855 13.928 4.422 1.00 0.00 C ATOM 51 C GLU A 5 11.008 13.167 3.102 1.00 0.00 C ATOM 52 O GLU A 5 10.545 13.604 2.068 1.00 0.00 O ATOM 53 CB GLU A 5 11.553 15.275 4.343 1.00 0.00 C ATOM 54 CG GLU A 5 10.554 16.390 4.657 1.00 0.00 C ATOM 55 CD GLU A 5 11.169 17.357 5.670 1.00 0.00 C ATOM 56 OE1 GLU A 5 12.382 17.357 5.797 1.00 0.00 O ATOM 57 OE2 GLU A 5 10.416 18.080 6.301 1.00 0.00 O ATOM 0 H GLU A 5 12.416 13.615 5.846 1.00 0.00 H new ATOM 0 HA GLU A 5 9.784 14.029 4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.383 15.308 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.974 15.420 3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.289 16.923 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.633 15.965 5.057 1.00 0.00 H new ATOM 64 N ALA A 6 11.651 12.033 3.128 1.00 0.00 N ATOM 65 CA ALA A 6 11.830 11.250 1.870 1.00 0.00 C ATOM 66 C ALA A 6 10.636 10.316 1.655 1.00 0.00 C ATOM 67 O ALA A 6 10.466 9.745 0.595 1.00 0.00 O ATOM 68 CB ALA A 6 13.112 10.446 2.082 1.00 0.00 C ATOM 0 H ALA A 6 12.060 11.614 3.963 1.00 0.00 H new ATOM 0 HA ALA A 6 11.894 11.890 0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.313 9.842 1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.945 11.128 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.994 9.794 2.947 1.00 0.00 H new ATOM 74 N ASP A 7 9.810 10.155 2.651 1.00 0.00 N ATOM 75 CA ASP A 7 8.628 9.257 2.503 1.00 0.00 C ATOM 76 C ASP A 7 9.070 7.850 2.085 1.00 0.00 C ATOM 77 O ASP A 7 8.494 7.263 1.192 1.00 0.00 O ATOM 78 CB ASP A 7 7.783 9.903 1.405 1.00 0.00 C ATOM 79 CG ASP A 7 6.361 9.341 1.455 1.00 0.00 C ATOM 80 OD1 ASP A 7 5.687 9.576 2.444 1.00 0.00 O ATOM 81 OD2 ASP A 7 5.972 8.687 0.502 1.00 0.00 O ATOM 0 H ASP A 7 9.901 10.606 3.561 1.00 0.00 H new ATOM 0 HA ASP A 7 8.076 9.145 3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.762 10.985 1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.227 9.709 0.429 1.00 0.00 H new ATOM 86 N PRO A 8 10.081 7.354 2.750 1.00 0.00 N ATOM 87 CA PRO A 8 10.602 5.999 2.441 1.00 0.00 C ATOM 88 C PRO A 8 9.652 4.927 2.980 1.00 0.00 C ATOM 89 O PRO A 8 9.662 3.797 2.531 1.00 0.00 O ATOM 90 CB PRO A 8 11.936 5.952 3.178 1.00 0.00 C ATOM 91 CG PRO A 8 11.801 6.940 4.293 1.00 0.00 C ATOM 92 CD PRO A 8 10.829 7.998 3.837 1.00 0.00 C ATOM 0 HA PRO A 8 10.701 5.813 1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.140 4.952 3.560 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.761 6.215 2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.441 6.451 5.198 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.767 7.383 4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.168 8.307 4.647 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.347 8.892 3.489 1.00 0.00 H new ATOM 100 N ARG A 9 8.835 5.265 3.941 1.00 0.00 N ATOM 101 CA ARG A 9 7.897 4.254 4.498 1.00 0.00 C ATOM 102 C ARG A 9 6.942 3.768 3.411 1.00 0.00 C ATOM 103 O ARG A 9 6.358 2.708 3.511 1.00 0.00 O ATOM 104 CB ARG A 9 7.146 4.965 5.611 1.00 0.00 C ATOM 105 CG ARG A 9 7.623 4.443 6.966 1.00 0.00 C ATOM 106 CD ARG A 9 6.496 4.581 7.991 1.00 0.00 C ATOM 107 NE ARG A 9 7.128 4.268 9.302 1.00 0.00 N ATOM 108 CZ ARG A 9 6.418 3.731 10.256 1.00 0.00 C ATOM 109 NH1 ARG A 9 5.591 2.759 9.984 1.00 0.00 N ATOM 110 NH2 ARG A 9 6.537 4.164 11.481 1.00 0.00 N ATOM 0 H ARG A 9 8.778 6.193 4.361 1.00 0.00 H new ATOM 0 HA ARG A 9 8.417 3.373 4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.311 6.040 5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.074 4.800 5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.925 3.399 6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.499 5.002 7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.078 5.588 7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.678 3.894 7.773 1.00 0.00 H new ATOM 0 HE ARG A 9 8.115 4.473 9.454 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.500 2.420 9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.036 2.338 10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.185 4.922 11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.982 3.744 12.227 1.00 0.00 H new ATOM 124 N LEU A 10 6.798 4.526 2.363 1.00 0.00 N ATOM 125 CA LEU A 10 5.899 4.091 1.255 1.00 0.00 C ATOM 126 C LEU A 10 6.469 2.818 0.639 1.00 0.00 C ATOM 127 O LEU A 10 5.818 1.795 0.582 1.00 0.00 O ATOM 128 CB LEU A 10 5.910 5.239 0.238 1.00 0.00 C ATOM 129 CG LEU A 10 5.497 4.718 -1.142 1.00 0.00 C ATOM 130 CD1 LEU A 10 4.404 5.620 -1.720 1.00 0.00 C ATOM 131 CD2 LEU A 10 6.709 4.729 -2.076 1.00 0.00 C ATOM 0 H LEU A 10 7.260 5.424 2.223 1.00 0.00 H new ATOM 0 HA LEU A 10 4.884 3.879 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.228 6.026 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.905 5.681 0.186 1.00 0.00 H new ATOM 0 HG LEU A 10 5.119 3.700 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.109 5.251 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.540 5.615 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.784 6.637 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.415 4.358 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.086 5.747 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.490 4.089 -1.666 1.00 0.00 H new ATOM 143 N ILE A 11 7.692 2.876 0.192 1.00 0.00 N ATOM 144 CA ILE A 11 8.324 1.675 -0.407 1.00 0.00 C ATOM 145 C ILE A 11 8.302 0.537 0.617 1.00 0.00 C ATOM 146 O ILE A 11 7.971 -0.589 0.302 1.00 0.00 O ATOM 147 CB ILE A 11 9.755 2.131 -0.756 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.898 2.212 -2.278 1.00 0.00 C ATOM 149 CG2 ILE A 11 10.798 1.152 -0.206 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.596 0.843 -2.893 1.00 0.00 C ATOM 0 H ILE A 11 8.281 3.708 0.217 1.00 0.00 H new ATOM 0 HA ILE A 11 7.814 1.296 -1.293 1.00 0.00 H new ATOM 0 HB ILE A 11 9.926 3.108 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.215 2.961 -2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.907 2.527 -2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.797 1.500 -0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.706 1.094 0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.633 0.165 -0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.698 0.901 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.297 0.106 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.578 0.547 -2.639 1.00 0.00 H new ATOM 162 N GLU A 12 8.639 0.824 1.845 1.00 0.00 N ATOM 163 CA GLU A 12 8.620 -0.243 2.876 1.00 0.00 C ATOM 164 C GLU A 12 7.321 -1.029 2.764 1.00 0.00 C ATOM 165 O GLU A 12 7.314 -2.173 2.353 1.00 0.00 O ATOM 166 CB GLU A 12 8.706 0.479 4.209 1.00 0.00 C ATOM 167 CG GLU A 12 9.999 0.084 4.924 1.00 0.00 C ATOM 168 CD GLU A 12 11.129 1.022 4.493 1.00 0.00 C ATOM 169 OE1 GLU A 12 11.034 2.203 4.783 1.00 0.00 O ATOM 170 OE2 GLU A 12 12.068 0.543 3.880 1.00 0.00 O ATOM 0 H GLU A 12 8.924 1.746 2.174 1.00 0.00 H new ATOM 0 HA GLU A 12 9.440 -0.952 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.680 1.557 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.845 0.226 4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.860 0.137 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.258 -0.948 4.686 1.00 0.00 H new ATOM 177 N SER A 13 6.212 -0.428 3.098 1.00 0.00 N ATOM 178 CA SER A 13 4.935 -1.154 2.971 1.00 0.00 C ATOM 179 C SER A 13 4.845 -1.707 1.550 1.00 0.00 C ATOM 180 O SER A 13 4.470 -2.843 1.339 1.00 0.00 O ATOM 181 CB SER A 13 3.858 -0.106 3.234 1.00 0.00 C ATOM 182 OG SER A 13 3.383 -0.240 4.565 1.00 0.00 O ATOM 0 H SER A 13 6.143 0.527 3.450 1.00 0.00 H new ATOM 0 HA SER A 13 4.831 -1.992 3.660 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.263 0.894 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.036 -0.229 2.529 1.00 0.00 H new ATOM 0 HG SER A 13 3.811 0.433 5.134 1.00 0.00 H new ATOM 188 N LEU A 14 5.218 -0.919 0.573 1.00 0.00 N ATOM 189 CA LEU A 14 5.181 -1.418 -0.831 1.00 0.00 C ATOM 190 C LEU A 14 5.972 -2.722 -0.932 1.00 0.00 C ATOM 191 O LEU A 14 5.618 -3.616 -1.673 1.00 0.00 O ATOM 192 CB LEU A 14 5.843 -0.326 -1.670 1.00 0.00 C ATOM 193 CG LEU A 14 4.886 0.121 -2.777 1.00 0.00 C ATOM 194 CD1 LEU A 14 4.341 -1.107 -3.507 1.00 0.00 C ATOM 195 CD2 LEU A 14 3.727 0.904 -2.160 1.00 0.00 C ATOM 0 H LEU A 14 5.544 0.041 0.687 1.00 0.00 H new ATOM 0 HA LEU A 14 4.166 -1.622 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.107 0.522 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.770 -0.699 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 14 5.419 0.756 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.659 -0.789 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.168 -1.666 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.807 -1.743 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.044 1.223 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.194 0.268 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.116 1.779 -1.639 1.00 0.00 H new ATOM 207 N SER A 15 7.044 -2.840 -0.195 1.00 0.00 N ATOM 208 CA SER A 15 7.843 -4.087 -0.261 1.00 0.00 C ATOM 209 C SER A 15 7.010 -5.272 0.225 1.00 0.00 C ATOM 210 O SER A 15 6.989 -6.319 -0.391 1.00 0.00 O ATOM 211 CB SER A 15 9.036 -3.847 0.662 1.00 0.00 C ATOM 212 OG SER A 15 10.227 -3.799 -0.114 1.00 0.00 O ATOM 0 H SER A 15 7.396 -2.128 0.445 1.00 0.00 H new ATOM 0 HA SER A 15 8.161 -4.321 -1.277 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.906 -2.913 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.103 -4.643 1.404 1.00 0.00 H new ATOM 0 HG SER A 15 10.995 -3.643 0.475 1.00 0.00 H new ATOM 218 N GLN A 16 6.328 -5.126 1.328 1.00 0.00 N ATOM 219 CA GLN A 16 5.514 -6.245 1.843 1.00 0.00 C ATOM 220 C GLN A 16 4.372 -6.569 0.877 1.00 0.00 C ATOM 221 O GLN A 16 3.935 -7.700 0.787 1.00 0.00 O ATOM 222 CB GLN A 16 5.005 -5.760 3.207 1.00 0.00 C ATOM 223 CG GLN A 16 3.684 -4.997 3.059 1.00 0.00 C ATOM 224 CD GLN A 16 2.519 -5.919 3.425 1.00 0.00 C ATOM 225 OE1 GLN A 16 1.753 -6.392 2.480 1.00 0.00 O flip ATOM 226 NE2 GLN A 16 2.302 -6.213 4.584 1.00 0.00 N flip ATOM 0 H GLN A 16 6.304 -4.275 1.891 1.00 0.00 H new ATOM 0 HA GLN A 16 6.080 -7.171 1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.864 -6.613 3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.752 -5.115 3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.684 -4.119 3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.571 -4.639 2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.899 -5.844 5.324 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.522 -6.828 4.817 1.00 0.00 H new ATOM 235 N MET A 17 3.893 -5.606 0.137 1.00 0.00 N ATOM 236 CA MET A 17 2.807 -5.902 -0.819 1.00 0.00 C ATOM 237 C MET A 17 3.400 -6.585 -2.048 1.00 0.00 C ATOM 238 O MET A 17 2.723 -7.294 -2.766 1.00 0.00 O ATOM 239 CB MET A 17 2.223 -4.543 -1.173 1.00 0.00 C ATOM 240 CG MET A 17 1.650 -3.886 0.080 1.00 0.00 C ATOM 241 SD MET A 17 2.129 -2.144 0.106 1.00 0.00 S ATOM 242 CE MET A 17 0.901 -1.559 -1.088 1.00 0.00 C ATOM 0 H MET A 17 4.209 -4.636 0.158 1.00 0.00 H new ATOM 0 HA MET A 17 2.044 -6.568 -0.416 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.994 -3.907 -1.608 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.442 -4.657 -1.925 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.564 -3.977 0.089 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.020 -4.391 0.972 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.405 -1.048 -1.908 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.341 -2.408 -1.479 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.216 -0.868 -0.597 1.00 0.00 H new ATOM 252 N LEU A 18 4.671 -6.387 -2.289 1.00 0.00 N ATOM 253 CA LEU A 18 5.308 -7.043 -3.462 1.00 0.00 C ATOM 254 C LEU A 18 5.510 -8.524 -3.165 1.00 0.00 C ATOM 255 O LEU A 18 5.587 -9.347 -4.055 1.00 0.00 O ATOM 256 CB LEU A 18 6.651 -6.337 -3.644 1.00 0.00 C ATOM 257 CG LEU A 18 7.364 -6.910 -4.870 1.00 0.00 C ATOM 258 CD1 LEU A 18 7.401 -5.856 -5.978 1.00 0.00 C ATOM 259 CD2 LEU A 18 8.793 -7.302 -4.489 1.00 0.00 C ATOM 0 H LEU A 18 5.289 -5.803 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 18 4.700 -6.971 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.497 -5.265 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.268 -6.470 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 18 6.828 -7.790 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.909 -6.264 -6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.383 -5.576 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.938 -4.975 -5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.303 -7.711 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.329 -6.422 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.766 -8.053 -3.700 1.00 0.00 H new ATOM 271 N SER A 19 5.577 -8.865 -1.912 1.00 0.00 N ATOM 272 CA SER A 19 5.754 -10.296 -1.537 1.00 0.00 C ATOM 273 C SER A 19 4.437 -10.844 -0.989 1.00 0.00 C ATOM 274 O SER A 19 4.402 -11.849 -0.306 1.00 0.00 O ATOM 275 CB SER A 19 6.834 -10.298 -0.456 1.00 0.00 C ATOM 276 OG SER A 19 8.016 -10.896 -0.973 1.00 0.00 O ATOM 0 H SER A 19 5.517 -8.215 -1.128 1.00 0.00 H new ATOM 0 HA SER A 19 6.039 -10.920 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.041 -9.278 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.488 -10.848 0.419 1.00 0.00 H new ATOM 0 HG SER A 19 8.711 -10.897 -0.282 1.00 0.00 H new ATOM 282 N MET A 20 3.354 -10.180 -1.283 1.00 0.00 N ATOM 283 CA MET A 20 2.030 -10.642 -0.785 1.00 0.00 C ATOM 284 C MET A 20 1.284 -11.409 -1.868 1.00 0.00 C ATOM 285 O MET A 20 0.992 -12.582 -1.740 1.00 0.00 O ATOM 286 CB MET A 20 1.283 -9.367 -0.433 1.00 0.00 C ATOM 287 CG MET A 20 1.252 -9.197 1.087 1.00 0.00 C ATOM 288 SD MET A 20 0.182 -10.462 1.816 1.00 0.00 S ATOM 289 CE MET A 20 1.296 -10.951 3.155 1.00 0.00 C ATOM 0 H MET A 20 3.330 -9.333 -1.850 1.00 0.00 H new ATOM 0 HA MET A 20 2.126 -11.317 0.066 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.769 -8.508 -0.896 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.267 -9.408 -0.826 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.260 -9.280 1.493 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.886 -8.203 1.345 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.830 -11.738 3.747 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.231 -11.319 2.734 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.499 -10.090 3.792 1.00 0.00 H new ATOM 299 N GLY A 21 0.954 -10.735 -2.920 1.00 0.00 N ATOM 300 CA GLY A 21 0.200 -11.365 -4.023 1.00 0.00 C ATOM 301 C GLY A 21 -1.018 -10.505 -4.272 1.00 0.00 C ATOM 302 O GLY A 21 -2.134 -10.974 -4.378 1.00 0.00 O ATOM 0 H GLY A 21 1.180 -9.751 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.814 -11.433 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.093 -12.381 -3.759 1.00 0.00 H new ATOM 306 N PHE A 22 -0.799 -9.231 -4.307 1.00 0.00 N ATOM 307 CA PHE A 22 -1.912 -8.283 -4.481 1.00 0.00 C ATOM 308 C PHE A 22 -2.065 -7.821 -5.924 1.00 0.00 C ATOM 309 O PHE A 22 -1.349 -8.229 -6.817 1.00 0.00 O ATOM 310 CB PHE A 22 -1.532 -7.119 -3.580 1.00 0.00 C ATOM 311 CG PHE A 22 -1.916 -7.456 -2.170 1.00 0.00 C ATOM 312 CD1 PHE A 22 -3.163 -8.028 -1.910 1.00 0.00 C ATOM 313 CD2 PHE A 22 -1.029 -7.196 -1.120 1.00 0.00 C ATOM 314 CE1 PHE A 22 -3.529 -8.333 -0.601 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.396 -7.505 0.191 1.00 0.00 C ATOM 316 CZ PHE A 22 -2.652 -8.072 0.448 1.00 0.00 C ATOM 0 H PHE A 22 0.122 -8.801 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.872 -8.734 -4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.461 -6.926 -3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.040 -6.210 -3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.843 -8.234 -2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.063 -6.758 -1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.495 -8.773 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.714 -7.308 1.005 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.940 -8.307 1.462 1.00 0.00 H new ATOM 326 N SER A 23 -3.025 -6.975 -6.138 1.00 0.00 N ATOM 327 CA SER A 23 -3.305 -6.454 -7.493 1.00 0.00 C ATOM 328 C SER A 23 -2.762 -5.036 -7.658 1.00 0.00 C ATOM 329 O SER A 23 -1.789 -4.650 -7.042 1.00 0.00 O ATOM 330 CB SER A 23 -4.829 -6.437 -7.591 1.00 0.00 C ATOM 331 OG SER A 23 -5.235 -7.154 -8.748 1.00 0.00 O ATOM 0 H SER A 23 -3.642 -6.615 -5.410 1.00 0.00 H new ATOM 0 HA SER A 23 -2.835 -7.063 -8.265 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.267 -6.886 -6.699 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.190 -5.410 -7.641 1.00 0.00 H new ATOM 0 HG SER A 23 -6.213 -7.146 -8.812 1.00 0.00 H new ATOM 337 N ASP A 24 -3.400 -4.260 -8.489 1.00 0.00 N ATOM 338 CA ASP A 24 -2.950 -2.861 -8.711 1.00 0.00 C ATOM 339 C ASP A 24 -4.058 -2.069 -9.409 1.00 0.00 C ATOM 340 O ASP A 24 -3.800 -1.153 -10.161 1.00 0.00 O ATOM 341 CB ASP A 24 -1.719 -2.981 -9.607 1.00 0.00 C ATOM 342 CG ASP A 24 -0.910 -1.685 -9.545 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.949 -1.033 -8.514 1.00 0.00 O ATOM 344 OD2 ASP A 24 -0.265 -1.364 -10.529 1.00 0.00 O ATOM 0 H ASP A 24 -4.220 -4.539 -9.027 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.720 -2.339 -7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.104 -3.821 -9.286 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.023 -3.183 -10.634 1.00 0.00 H new ATOM 349 N GLU A 25 -5.294 -2.417 -9.163 1.00 0.00 N ATOM 350 CA GLU A 25 -6.417 -1.680 -9.809 1.00 0.00 C ATOM 351 C GLU A 25 -6.217 -0.176 -9.613 1.00 0.00 C ATOM 352 O GLU A 25 -6.076 0.300 -8.505 1.00 0.00 O ATOM 353 CB GLU A 25 -7.678 -2.160 -9.088 1.00 0.00 C ATOM 354 CG GLU A 25 -7.845 -3.666 -9.301 1.00 0.00 C ATOM 355 CD GLU A 25 -9.153 -4.133 -8.660 1.00 0.00 C ATOM 356 OE1 GLU A 25 -10.195 -3.644 -9.065 1.00 0.00 O ATOM 357 OE2 GLU A 25 -9.091 -4.971 -7.776 1.00 0.00 O ATOM 0 H GLU A 25 -5.573 -3.178 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.479 -1.862 -10.882 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.608 -1.938 -8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.551 -1.629 -9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.849 -3.895 -10.367 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.002 -4.201 -8.863 1.00 0.00 H new ATOM 364 N GLY A 26 -6.182 0.576 -10.676 1.00 0.00 N ATOM 365 CA GLY A 26 -5.965 2.042 -10.528 1.00 0.00 C ATOM 366 C GLY A 26 -4.532 2.276 -10.046 1.00 0.00 C ATOM 367 O GLY A 26 -4.169 3.361 -9.635 1.00 0.00 O ATOM 0 H GLY A 26 -6.293 0.243 -11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.132 2.547 -11.479 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.677 2.460 -9.816 1.00 0.00 H new ATOM 371 N GLY A 27 -3.712 1.259 -10.100 1.00 0.00 N ATOM 372 CA GLY A 27 -2.303 1.398 -9.658 1.00 0.00 C ATOM 373 C GLY A 27 -2.249 1.812 -8.187 1.00 0.00 C ATOM 374 O GLY A 27 -1.640 2.803 -7.840 1.00 0.00 O ATOM 0 H GLY A 27 -3.966 0.330 -10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.776 0.454 -9.797 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.793 2.141 -10.271 1.00 0.00 H new ATOM 378 N TRP A 28 -2.878 1.069 -7.311 1.00 0.00 N ATOM 379 CA TRP A 28 -2.844 1.444 -5.881 1.00 0.00 C ATOM 380 C TRP A 28 -1.629 0.829 -5.187 1.00 0.00 C ATOM 381 O TRP A 28 -1.145 1.357 -4.209 1.00 0.00 O ATOM 382 CB TRP A 28 -4.152 0.918 -5.298 1.00 0.00 C ATOM 383 CG TRP A 28 -4.211 -0.566 -5.347 1.00 0.00 C ATOM 384 CD1 TRP A 28 -5.054 -1.264 -6.118 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.451 -1.534 -4.594 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.848 -2.616 -5.908 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.866 -2.831 -4.969 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.450 -1.411 -3.638 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -3.297 -3.969 -4.406 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -1.880 -2.536 -3.069 1.00 0.00 C ATOM 391 CH2 TRP A 28 -2.295 -3.819 -3.444 1.00 0.00 C ATOM 0 H TRP A 28 -3.408 0.226 -7.531 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.752 2.521 -5.740 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.253 1.253 -4.266 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.993 1.335 -5.852 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.779 -0.839 -6.796 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.358 -3.358 -6.388 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.114 -0.430 -3.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.625 -4.953 -4.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.105 -2.423 -2.326 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.843 -4.689 -2.992 1.00 0.00 H new ATOM 402 N LEU A 29 -1.106 -0.261 -5.671 1.00 0.00 N ATOM 403 CA LEU A 29 0.090 -0.829 -4.995 1.00 0.00 C ATOM 404 C LEU A 29 1.105 0.298 -4.789 1.00 0.00 C ATOM 405 O LEU A 29 1.918 0.265 -3.888 1.00 0.00 O ATOM 406 CB LEU A 29 0.620 -1.915 -5.936 1.00 0.00 C ATOM 407 CG LEU A 29 0.395 -3.286 -5.287 1.00 0.00 C ATOM 408 CD1 LEU A 29 1.087 -4.378 -6.100 1.00 0.00 C ATOM 409 CD2 LEU A 29 0.973 -3.282 -3.873 1.00 0.00 C ATOM 0 H LEU A 29 -1.445 -0.773 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.124 -1.258 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.108 -1.864 -6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.681 -1.760 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.676 -3.485 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.919 -5.346 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.680 -4.392 -7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.157 -4.177 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.813 -4.257 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.042 -3.073 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.477 -2.514 -3.279 1.00 0.00 H new ATOM 421 N THR A 30 1.036 1.312 -5.614 1.00 0.00 N ATOM 422 CA THR A 30 1.961 2.472 -5.468 1.00 0.00 C ATOM 423 C THR A 30 1.233 3.651 -4.803 1.00 0.00 C ATOM 424 O THR A 30 1.768 4.318 -3.941 1.00 0.00 O ATOM 425 CB THR A 30 2.374 2.833 -6.897 1.00 0.00 C ATOM 426 OG1 THR A 30 3.344 1.902 -7.356 1.00 0.00 O ATOM 427 CG2 THR A 30 2.967 4.244 -6.920 1.00 0.00 C ATOM 0 H THR A 30 0.374 1.385 -6.386 1.00 0.00 H new ATOM 0 HA THR A 30 2.822 2.237 -4.842 1.00 0.00 H new ATOM 0 HB THR A 30 1.500 2.800 -7.547 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.609 2.130 -8.272 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.260 4.499 -7.938 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.222 4.958 -6.568 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.841 4.282 -6.270 1.00 0.00 H new ATOM 435 N ARG A 31 0.016 3.918 -5.211 1.00 0.00 N ATOM 436 CA ARG A 31 -0.749 5.061 -4.620 1.00 0.00 C ATOM 437 C ARG A 31 -1.523 4.621 -3.376 1.00 0.00 C ATOM 438 O ARG A 31 -1.664 5.381 -2.438 1.00 0.00 O ATOM 439 CB ARG A 31 -1.716 5.500 -5.719 1.00 0.00 C ATOM 440 CG ARG A 31 -2.656 6.576 -5.169 1.00 0.00 C ATOM 441 CD ARG A 31 -3.436 7.210 -6.322 1.00 0.00 C ATOM 442 NE ARG A 31 -4.514 6.234 -6.640 1.00 0.00 N ATOM 443 CZ ARG A 31 -5.765 6.598 -6.571 1.00 0.00 C ATOM 444 NH1 ARG A 31 -6.181 7.321 -5.568 1.00 0.00 N ATOM 445 NH2 ARG A 31 -6.601 6.237 -7.507 1.00 0.00 N ATOM 0 H ARG A 31 -0.482 3.392 -5.930 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.087 5.867 -4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.161 5.888 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.292 4.646 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.345 6.137 -4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.084 7.338 -4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.851 8.176 -6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.793 7.383 -7.185 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.275 5.280 -6.912 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.528 7.602 -4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.159 7.605 -5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.276 5.671 -8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.579 6.521 -7.454 1.00 0.00 H new ATOM 459 N LEU A 32 -2.027 3.407 -3.355 1.00 0.00 N ATOM 460 CA LEU A 32 -2.788 2.930 -2.157 1.00 0.00 C ATOM 461 C LEU A 32 -2.108 3.468 -0.901 1.00 0.00 C ATOM 462 O LEU A 32 -2.658 4.251 -0.154 1.00 0.00 O ATOM 463 CB LEU A 32 -2.676 1.412 -2.153 1.00 0.00 C ATOM 464 CG LEU A 32 -3.393 0.864 -0.917 1.00 0.00 C ATOM 465 CD1 LEU A 32 -4.904 0.874 -1.156 1.00 0.00 C ATOM 466 CD2 LEU A 32 -2.932 -0.570 -0.646 1.00 0.00 C ATOM 0 H LEU A 32 -1.944 2.730 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.827 3.260 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.119 0.999 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.628 1.112 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.155 1.490 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.414 0.484 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.236 1.895 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.140 0.251 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.445 -0.957 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.167 -1.196 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.856 -0.580 -0.473 1.00 0.00 H new ATOM 478 N LEU A 33 -0.882 3.065 -0.703 1.00 0.00 N ATOM 479 CA LEU A 33 -0.099 3.547 0.455 1.00 0.00 C ATOM 480 C LEU A 33 -0.310 5.047 0.590 1.00 0.00 C ATOM 481 O LEU A 33 -0.802 5.543 1.584 1.00 0.00 O ATOM 482 CB LEU A 33 1.347 3.249 0.044 1.00 0.00 C ATOM 483 CG LEU A 33 1.787 1.828 0.444 1.00 0.00 C ATOM 484 CD1 LEU A 33 2.802 1.905 1.574 1.00 0.00 C ATOM 485 CD2 LEU A 33 0.596 0.962 0.884 1.00 0.00 C ATOM 0 H LEU A 33 -0.388 2.411 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.371 3.087 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.448 3.368 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.012 3.977 0.508 1.00 0.00 H new ATOM 0 HG LEU A 33 2.235 1.361 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.111 0.898 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.672 2.473 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.351 2.399 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.950 -0.032 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.109 1.423 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.117 0.880 0.064 1.00 0.00 H new ATOM 497 N GLN A 34 0.054 5.763 -0.431 1.00 0.00 N ATOM 498 CA GLN A 34 -0.113 7.225 -0.429 1.00 0.00 C ATOM 499 C GLN A 34 -1.577 7.585 -0.154 1.00 0.00 C ATOM 500 O GLN A 34 -1.886 8.672 0.294 1.00 0.00 O ATOM 501 CB GLN A 34 0.298 7.622 -1.844 1.00 0.00 C ATOM 502 CG GLN A 34 1.788 7.960 -1.860 1.00 0.00 C ATOM 503 CD GLN A 34 2.035 9.157 -2.778 1.00 0.00 C ATOM 504 OE1 GLN A 34 1.261 10.094 -2.796 1.00 0.00 O ATOM 505 NE2 GLN A 34 3.091 9.167 -3.546 1.00 0.00 N ATOM 0 H GLN A 34 0.468 5.382 -1.282 1.00 0.00 H new ATOM 0 HA GLN A 34 0.472 7.734 0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.091 6.807 -2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.285 8.480 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.130 8.187 -0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.362 7.100 -2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.740 8.380 -3.531 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.267 9.961 -4.161 1.00 0.00 H new ATOM 514 N THR A 35 -2.482 6.679 -0.421 1.00 0.00 N ATOM 515 CA THR A 35 -3.917 6.969 -0.179 1.00 0.00 C ATOM 516 C THR A 35 -4.220 6.983 1.327 1.00 0.00 C ATOM 517 O THR A 35 -4.963 7.811 1.812 1.00 0.00 O ATOM 518 CB THR A 35 -4.673 5.841 -0.909 1.00 0.00 C ATOM 519 OG1 THR A 35 -5.731 6.403 -1.674 1.00 0.00 O ATOM 520 CG2 THR A 35 -5.255 4.819 0.081 1.00 0.00 C ATOM 0 H THR A 35 -2.284 5.752 -0.796 1.00 0.00 H new ATOM 0 HA THR A 35 -4.216 7.951 -0.547 1.00 0.00 H new ATOM 0 HB THR A 35 -3.965 5.324 -1.557 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.213 5.688 -2.141 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.781 4.039 -0.469 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.447 4.373 0.661 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.951 5.320 0.754 1.00 0.00 H new ATOM 528 N LYS A 36 -3.663 6.058 2.064 1.00 0.00 N ATOM 529 CA LYS A 36 -3.942 6.014 3.528 1.00 0.00 C ATOM 530 C LYS A 36 -2.658 5.764 4.331 1.00 0.00 C ATOM 531 O LYS A 36 -2.516 4.751 4.988 1.00 0.00 O ATOM 532 CB LYS A 36 -4.916 4.848 3.701 1.00 0.00 C ATOM 533 CG LYS A 36 -6.316 5.284 3.266 1.00 0.00 C ATOM 534 CD LYS A 36 -7.093 4.069 2.755 1.00 0.00 C ATOM 535 CE LYS A 36 -8.549 4.164 3.214 1.00 0.00 C ATOM 536 NZ LYS A 36 -9.012 2.751 3.327 1.00 0.00 N ATOM 0 H LYS A 36 -3.031 5.336 1.718 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.349 6.957 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.588 3.995 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.931 4.524 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.843 5.740 4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.246 6.040 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.046 4.025 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.641 3.151 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.628 4.683 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.153 4.721 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.004 2.735 3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.932 2.284 2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.423 2.247 4.021 1.00 0.00 H new ATOM 550 N ASN A 37 -1.736 6.690 4.297 1.00 0.00 N ATOM 551 CA ASN A 37 -0.464 6.534 5.070 1.00 0.00 C ATOM 552 C ASN A 37 0.002 5.072 5.100 1.00 0.00 C ATOM 553 O ASN A 37 0.279 4.523 6.147 1.00 0.00 O ATOM 554 CB ASN A 37 -0.806 7.014 6.480 1.00 0.00 C ATOM 555 CG ASN A 37 0.428 6.898 7.377 1.00 0.00 C ATOM 556 OD1 ASN A 37 1.522 6.677 6.898 1.00 0.00 O ATOM 557 ND2 ASN A 37 0.297 7.040 8.668 1.00 0.00 N ATOM 0 H ASN A 37 -1.809 7.556 3.763 1.00 0.00 H new ATOM 0 HA ASN A 37 0.351 7.100 4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.149 8.048 6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.622 6.419 6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.114 6.965 9.275 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.622 7.226 9.070 1.00 0.00 H new ATOM 564 N TYR A 38 0.100 4.443 3.962 1.00 0.00 N ATOM 565 CA TYR A 38 0.561 3.022 3.928 1.00 0.00 C ATOM 566 C TYR A 38 -0.338 2.166 4.820 1.00 0.00 C ATOM 567 O TYR A 38 0.121 1.440 5.680 1.00 0.00 O ATOM 568 CB TYR A 38 1.995 3.048 4.460 1.00 0.00 C ATOM 569 CG TYR A 38 2.766 4.179 3.814 1.00 0.00 C ATOM 570 CD1 TYR A 38 2.297 4.776 2.637 1.00 0.00 C ATOM 571 CD2 TYR A 38 3.953 4.632 4.397 1.00 0.00 C ATOM 572 CE1 TYR A 38 3.004 5.820 2.050 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.665 5.680 3.805 1.00 0.00 C ATOM 574 CZ TYR A 38 4.191 6.276 2.633 1.00 0.00 C ATOM 575 OH TYR A 38 4.889 7.321 2.061 1.00 0.00 O ATOM 0 H TYR A 38 -0.119 4.850 3.052 1.00 0.00 H new ATOM 0 HA TYR A 38 0.518 2.594 2.927 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.988 3.174 5.543 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.486 2.097 4.253 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.382 4.424 2.183 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.320 4.173 5.303 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.637 6.279 1.144 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.583 6.029 4.254 1.00 0.00 H new ATOM 0 HH TYR A 38 4.785 8.125 2.612 1.00 0.00 H new ATOM 585 N ASP A 39 -1.619 2.258 4.615 1.00 0.00 N ATOM 586 CA ASP A 39 -2.586 1.466 5.438 1.00 0.00 C ATOM 587 C ASP A 39 -2.709 0.033 4.913 1.00 0.00 C ATOM 588 O ASP A 39 -3.747 -0.579 5.039 1.00 0.00 O ATOM 589 CB ASP A 39 -3.918 2.199 5.276 1.00 0.00 C ATOM 590 CG ASP A 39 -4.295 2.872 6.596 1.00 0.00 C ATOM 591 OD1 ASP A 39 -3.468 3.593 7.129 1.00 0.00 O ATOM 592 OD2 ASP A 39 -5.406 2.657 7.053 1.00 0.00 O ATOM 0 H ASP A 39 -2.048 2.853 3.906 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.268 1.390 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.841 2.945 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.697 1.497 4.978 1.00 0.00 H new ATOM 597 N ILE A 40 -1.678 -0.520 4.323 1.00 0.00 N ATOM 598 CA ILE A 40 -1.814 -1.914 3.809 1.00 0.00 C ATOM 599 C ILE A 40 -2.428 -2.810 4.875 1.00 0.00 C ATOM 600 O ILE A 40 -2.995 -3.828 4.569 1.00 0.00 O ATOM 601 CB ILE A 40 -0.420 -2.403 3.433 1.00 0.00 C ATOM 602 CG1 ILE A 40 0.621 -1.897 4.431 1.00 0.00 C ATOM 603 CG2 ILE A 40 -0.076 -1.897 2.040 1.00 0.00 C ATOM 604 CD1 ILE A 40 1.896 -2.731 4.273 1.00 0.00 C ATOM 0 H ILE A 40 -0.770 -0.078 4.178 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.470 -1.941 2.939 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.412 -3.493 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.834 -0.843 4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.240 -1.978 5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.920 -2.242 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.804 -2.278 1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.097 -0.807 2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.649 -2.382 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.672 -3.779 4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.276 -2.626 3.257 1.00 0.00 H new ATOM 616 N GLY A 41 -2.346 -2.441 6.120 1.00 0.00 N ATOM 617 CA GLY A 41 -2.978 -3.294 7.162 1.00 0.00 C ATOM 618 C GLY A 41 -4.486 -3.161 6.993 1.00 0.00 C ATOM 619 O GLY A 41 -5.186 -4.119 6.733 1.00 0.00 O ATOM 0 H GLY A 41 -1.877 -1.601 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.668 -4.333 7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.672 -2.976 8.159 1.00 0.00 H new ATOM 623 N ALA A 42 -4.978 -1.961 7.095 1.00 0.00 N ATOM 624 CA ALA A 42 -6.424 -1.722 6.895 1.00 0.00 C ATOM 625 C ALA A 42 -6.749 -1.984 5.431 1.00 0.00 C ATOM 626 O ALA A 42 -7.787 -2.519 5.093 1.00 0.00 O ATOM 627 CB ALA A 42 -6.614 -0.246 7.245 1.00 0.00 C ATOM 0 H ALA A 42 -4.430 -1.128 7.311 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.070 -2.360 7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.663 0.024 7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.311 -0.075 8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.003 0.367 6.582 1.00 0.00 H new ATOM 633 N ALA A 43 -5.847 -1.630 4.561 1.00 0.00 N ATOM 634 CA ALA A 43 -6.072 -1.879 3.120 1.00 0.00 C ATOM 635 C ALA A 43 -5.983 -3.379 2.865 1.00 0.00 C ATOM 636 O ALA A 43 -6.671 -3.909 2.030 1.00 0.00 O ATOM 637 CB ALA A 43 -4.951 -1.135 2.394 1.00 0.00 C ATOM 0 H ALA A 43 -4.962 -1.178 4.791 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.049 -1.538 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.057 -1.277 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.010 -0.072 2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.986 -1.525 2.718 1.00 0.00 H new ATOM 643 N LEU A 44 -5.151 -4.078 3.596 1.00 0.00 N ATOM 644 CA LEU A 44 -5.055 -5.549 3.388 1.00 0.00 C ATOM 645 C LEU A 44 -6.456 -6.122 3.269 1.00 0.00 C ATOM 646 O LEU A 44 -6.725 -6.975 2.452 1.00 0.00 O ATOM 647 CB LEU A 44 -4.366 -6.098 4.633 1.00 0.00 C ATOM 648 CG LEU A 44 -3.066 -6.820 4.253 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.407 -8.208 3.717 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.305 -6.037 3.174 1.00 0.00 C ATOM 0 H LEU A 44 -4.542 -3.696 4.319 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.503 -5.807 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.148 -5.284 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.033 -6.787 5.152 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.435 -6.898 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.489 -8.728 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.932 -8.776 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.044 -8.112 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.387 -6.567 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.928 -5.943 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.059 -5.044 3.551 1.00 0.00 H new ATOM 662 N ASP A 45 -7.353 -5.651 4.077 1.00 0.00 N ATOM 663 CA ASP A 45 -8.739 -6.165 4.010 1.00 0.00 C ATOM 664 C ASP A 45 -9.342 -5.840 2.645 1.00 0.00 C ATOM 665 O ASP A 45 -10.183 -6.554 2.136 1.00 0.00 O ATOM 666 CB ASP A 45 -9.462 -5.466 5.183 1.00 0.00 C ATOM 667 CG ASP A 45 -10.829 -4.927 4.739 1.00 0.00 C ATOM 668 OD1 ASP A 45 -11.721 -5.731 4.527 1.00 0.00 O ATOM 669 OD2 ASP A 45 -10.956 -3.719 4.620 1.00 0.00 O ATOM 0 H ASP A 45 -7.187 -4.932 4.781 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.818 -7.248 4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.593 -6.169 6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.848 -4.647 5.558 1.00 0.00 H new ATOM 674 N THR A 46 -8.889 -4.794 2.040 1.00 0.00 N ATOM 675 CA THR A 46 -9.389 -4.438 0.697 1.00 0.00 C ATOM 676 C THR A 46 -8.375 -4.915 -0.338 1.00 0.00 C ATOM 677 O THR A 46 -8.667 -5.026 -1.512 1.00 0.00 O ATOM 678 CB THR A 46 -9.536 -2.904 0.700 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.630 -2.540 -0.129 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.257 -2.227 0.180 1.00 0.00 C ATOM 0 H THR A 46 -8.185 -4.162 2.421 1.00 0.00 H new ATOM 0 HA THR A 46 -10.344 -4.903 0.452 1.00 0.00 H new ATOM 0 HB THR A 46 -9.710 -2.573 1.724 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.730 -1.565 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.387 -1.145 0.192 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.416 -2.499 0.818 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.060 -2.557 -0.840 1.00 0.00 H new ATOM 688 N ILE A 47 -7.180 -5.199 0.099 1.00 0.00 N ATOM 689 CA ILE A 47 -6.142 -5.668 -0.829 1.00 0.00 C ATOM 690 C ILE A 47 -6.140 -7.199 -0.846 1.00 0.00 C ATOM 691 O ILE A 47 -5.721 -7.816 -1.805 1.00 0.00 O ATOM 692 CB ILE A 47 -4.870 -5.069 -0.273 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.065 -3.559 -0.245 1.00 0.00 C ATOM 694 CG2 ILE A 47 -3.684 -5.404 -1.170 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.972 -2.994 -1.665 1.00 0.00 C ATOM 0 H ILE A 47 -6.886 -5.122 1.073 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.285 -5.369 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.667 -5.467 0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.035 -3.317 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.308 -3.098 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.777 -4.965 -0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.568 -6.486 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.857 -5.001 -2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.113 -1.913 -1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.992 -3.222 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.746 -3.444 -2.287 1.00 0.00 H new ATOM 707 N GLN A 48 -6.656 -7.832 0.186 1.00 0.00 N ATOM 708 CA GLN A 48 -6.722 -9.310 0.157 1.00 0.00 C ATOM 709 C GLN A 48 -8.139 -9.727 -0.235 1.00 0.00 C ATOM 710 O GLN A 48 -8.425 -10.889 -0.441 1.00 0.00 O ATOM 711 CB GLN A 48 -6.351 -9.797 1.549 1.00 0.00 C ATOM 712 CG GLN A 48 -4.999 -10.521 1.494 1.00 0.00 C ATOM 713 CD GLN A 48 -5.006 -11.545 0.353 1.00 0.00 C ATOM 714 OE1 GLN A 48 -5.911 -12.349 0.250 1.00 0.00 O ATOM 715 NE2 GLN A 48 -4.027 -11.552 -0.517 1.00 0.00 N ATOM 0 H GLN A 48 -7.025 -7.388 1.027 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.037 -9.745 -0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.297 -8.954 2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.121 -10.469 1.928 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.196 -9.800 1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.805 -11.021 2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.266 -10.878 -0.433 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.026 -12.231 -1.278 1.00 0.00 H new ATOM 724 N TYR A 49 -9.018 -8.762 -0.378 1.00 0.00 N ATOM 725 CA TYR A 49 -10.415 -9.053 -0.802 1.00 0.00 C ATOM 726 C TYR A 49 -10.947 -10.332 -0.143 1.00 0.00 C ATOM 727 O TYR A 49 -10.657 -11.433 -0.565 1.00 0.00 O ATOM 728 CB TYR A 49 -10.307 -9.220 -2.318 1.00 0.00 C ATOM 729 CG TYR A 49 -9.617 -8.007 -2.914 1.00 0.00 C ATOM 730 CD1 TYR A 49 -8.238 -7.819 -2.731 1.00 0.00 C ATOM 731 CD2 TYR A 49 -10.357 -7.071 -3.648 1.00 0.00 C ATOM 732 CE1 TYR A 49 -7.601 -6.697 -3.280 1.00 0.00 C ATOM 733 CE2 TYR A 49 -9.719 -5.950 -4.198 1.00 0.00 C ATOM 734 CZ TYR A 49 -8.344 -5.763 -4.014 1.00 0.00 C ATOM 735 OH TYR A 49 -7.718 -4.660 -4.556 1.00 0.00 O ATOM 0 H TYR A 49 -8.819 -7.775 -0.216 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.112 -8.267 -0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.746 -10.124 -2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.300 -9.337 -2.753 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.666 -8.540 -2.166 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.418 -7.213 -3.790 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.540 -6.553 -3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.290 -5.229 -4.765 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.375 -4.113 -5.035 1.00 0.00 H new ATOM 745 N SER A 50 -11.739 -10.186 0.886 1.00 0.00 N ATOM 746 CA SER A 50 -12.310 -11.381 1.576 1.00 0.00 C ATOM 747 C SER A 50 -11.191 -12.271 2.122 1.00 0.00 C ATOM 748 O SER A 50 -11.419 -13.402 2.504 1.00 0.00 O ATOM 749 CB SER A 50 -13.108 -12.117 0.502 1.00 0.00 C ATOM 750 OG SER A 50 -14.037 -11.219 -0.091 1.00 0.00 O ATOM 0 H SER A 50 -12.016 -9.287 1.280 1.00 0.00 H new ATOM 0 HA SER A 50 -12.932 -11.104 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.436 -12.517 -0.257 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.634 -12.965 0.940 1.00 0.00 H new ATOM 0 HG SER A 50 -14.550 -11.688 -0.782 1.00 0.00 H new ATOM 756 N LYS A 51 -9.987 -11.774 2.166 1.00 0.00 N ATOM 757 CA LYS A 51 -8.862 -12.599 2.691 1.00 0.00 C ATOM 758 C LYS A 51 -8.953 -14.027 2.140 1.00 0.00 C ATOM 759 O LYS A 51 -9.230 -14.233 0.975 1.00 0.00 O ATOM 760 CB LYS A 51 -9.051 -12.591 4.208 1.00 0.00 C ATOM 761 CG LYS A 51 -9.029 -11.148 4.711 1.00 0.00 C ATOM 762 CD LYS A 51 -10.441 -10.728 5.125 1.00 0.00 C ATOM 763 CE LYS A 51 -10.513 -10.601 6.648 1.00 0.00 C ATOM 764 NZ LYS A 51 -9.758 -9.357 6.965 1.00 0.00 N ATOM 0 H LYS A 51 -9.733 -10.834 1.862 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.886 -12.211 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.996 -13.066 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.260 -13.168 4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.349 -11.058 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.656 -10.485 3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.700 -9.778 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.167 -11.463 4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.546 -10.534 6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.070 -11.468 7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.910 -9.597 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.475 -8.888 6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.362 -8.716 7.519 1.00 0.00 H new ATOM 778 N HIS A 52 -8.722 -15.013 2.964 1.00 0.00 N ATOM 779 CA HIS A 52 -8.798 -16.421 2.479 1.00 0.00 C ATOM 780 C HIS A 52 -10.255 -16.812 2.215 1.00 0.00 C ATOM 781 O HIS A 52 -11.069 -16.619 3.102 1.00 0.00 O ATOM 782 CB HIS A 52 -8.216 -17.263 3.615 1.00 0.00 C ATOM 783 CG HIS A 52 -6.720 -17.329 3.474 1.00 0.00 C ATOM 784 ND1 HIS A 52 -5.953 -16.203 3.220 1.00 0.00 N ATOM 785 CD2 HIS A 52 -5.837 -18.376 3.549 1.00 0.00 C ATOM 786 CE1 HIS A 52 -4.668 -16.596 3.152 1.00 0.00 C ATOM 787 NE2 HIS A 52 -4.541 -17.912 3.345 1.00 0.00 N ATOM 788 OXT HIS A 52 -10.530 -17.298 1.130 1.00 0.00 O ATOM 0 H HIS A 52 -8.484 -14.905 3.950 1.00 0.00 H new ATOM 0 HA HIS A 52 -8.256 -16.565 1.545 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.482 -16.828 4.578 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.639 -18.267 3.591 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.107 -19.405 3.738 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.840 -15.929 2.964 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.680 -18.459 3.343 1.00 0.00 H new TER 796 HIS A 52