USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -4.75! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.5 K(o=-1.5,f=-5.8!) USER MOD Single : A 17 MET CE :methyl -157:sc= -11.4! (180deg=-13.2!) USER MOD Single : A 19 SER OG : rot -42:sc= 0.218 USER MOD Single : A 20 MET CE :methyl 145:sc= -1.69 (180deg=-3.83!) 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 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -150:sc= -7.13! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.49! X(o=-1.5!,f=-1.5) USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.654 X(o=-0.65,f=-0.79) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 96:sc= 0.176 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 11.440 5.977 -15.489 1.00 0.00 N ATOM 2 CA GLY A 1 12.807 6.239 -14.952 1.00 0.00 C ATOM 3 C GLY A 1 12.770 6.219 -13.423 1.00 0.00 C ATOM 4 O GLY A 1 12.313 5.271 -12.816 1.00 0.00 O ATOM 0 H1 GLY A 1 11.467 5.991 -16.529 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.112 5.045 -15.164 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.787 6.712 -15.150 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.503 5.485 -15.319 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.168 7.205 -15.305 1.00 0.00 H new ATOM 10 N SER A 2 13.249 7.259 -12.795 1.00 0.00 N ATOM 11 CA SER A 2 13.242 7.298 -11.303 1.00 0.00 C ATOM 12 C SER A 2 12.104 8.194 -10.802 1.00 0.00 C ATOM 13 O SER A 2 12.089 9.381 -11.060 1.00 0.00 O ATOM 14 CB SER A 2 14.597 7.891 -10.918 1.00 0.00 C ATOM 15 OG SER A 2 15.634 7.106 -11.493 1.00 0.00 O ATOM 0 H SER A 2 13.644 8.082 -13.249 1.00 0.00 H new ATOM 0 HA SER A 2 13.087 6.312 -10.865 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.669 8.921 -11.267 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.702 7.914 -9.833 1.00 0.00 H new ATOM 0 HG SER A 2 16.504 7.485 -11.249 1.00 0.00 H new ATOM 21 N PRO A 3 11.184 7.590 -10.099 1.00 0.00 N ATOM 22 CA PRO A 3 10.026 8.341 -9.553 1.00 0.00 C ATOM 23 C PRO A 3 10.466 9.236 -8.390 1.00 0.00 C ATOM 24 O PRO A 3 11.372 8.899 -7.654 1.00 0.00 O ATOM 25 CB PRO A 3 9.082 7.243 -9.071 1.00 0.00 C ATOM 26 CG PRO A 3 9.964 6.065 -8.804 1.00 0.00 C ATOM 27 CD PRO A 3 11.134 6.166 -9.748 1.00 0.00 C ATOM 0 HA PRO A 3 9.562 9.004 -10.284 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.548 7.548 -8.171 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.330 7.010 -9.825 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.303 6.065 -7.768 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.421 5.133 -8.962 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.059 5.839 -9.274 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.990 5.542 -10.630 1.00 0.00 H new ATOM 35 N PRO A 4 9.803 10.355 -8.268 1.00 0.00 N ATOM 36 CA PRO A 4 10.123 11.322 -7.188 1.00 0.00 C ATOM 37 C PRO A 4 9.589 10.830 -5.837 1.00 0.00 C ATOM 38 O PRO A 4 9.669 11.522 -4.842 1.00 0.00 O ATOM 39 CB PRO A 4 9.399 12.592 -7.621 1.00 0.00 C ATOM 40 CG PRO A 4 8.278 12.126 -8.496 1.00 0.00 C ATOM 41 CD PRO A 4 8.704 10.822 -9.121 1.00 0.00 C ATOM 0 HA PRO A 4 11.195 11.466 -7.053 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.023 13.144 -6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.068 13.262 -8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.367 11.992 -7.913 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.059 12.866 -9.265 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.884 10.104 -9.142 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.032 10.962 -10.151 1.00 0.00 H new ATOM 49 N GLU A 5 9.042 9.646 -5.791 1.00 0.00 N ATOM 50 CA GLU A 5 8.506 9.120 -4.512 1.00 0.00 C ATOM 51 C GLU A 5 9.570 9.192 -3.413 1.00 0.00 C ATOM 52 O GLU A 5 10.388 8.306 -3.268 1.00 0.00 O ATOM 53 CB GLU A 5 8.150 7.671 -4.827 1.00 0.00 C ATOM 54 CG GLU A 5 9.341 6.986 -5.498 1.00 0.00 C ATOM 55 CD GLU A 5 9.625 5.655 -4.799 1.00 0.00 C ATOM 56 OE1 GLU A 5 8.686 5.065 -4.288 1.00 0.00 O ATOM 57 OE2 GLU A 5 10.775 5.249 -4.786 1.00 0.00 O ATOM 0 H GLU A 5 8.945 9.020 -6.591 1.00 0.00 H new ATOM 0 HA GLU A 5 7.651 9.690 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.883 7.144 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.279 7.634 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.129 6.816 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.219 7.630 -5.449 1.00 0.00 H new ATOM 64 N ALA A 6 9.563 10.240 -2.634 1.00 0.00 N ATOM 65 CA ALA A 6 10.571 10.367 -1.544 1.00 0.00 C ATOM 66 C ALA A 6 10.158 9.515 -0.340 1.00 0.00 C ATOM 67 O ALA A 6 10.959 8.801 0.229 1.00 0.00 O ATOM 68 CB ALA A 6 10.572 11.850 -1.175 1.00 0.00 C ATOM 0 H ALA A 6 8.902 11.014 -2.706 1.00 0.00 H new ATOM 0 HA ALA A 6 11.558 10.024 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.292 12.026 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.848 12.442 -2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.577 12.142 -0.838 1.00 0.00 H new ATOM 74 N ASP A 7 8.914 9.587 0.051 1.00 0.00 N ATOM 75 CA ASP A 7 8.445 8.784 1.216 1.00 0.00 C ATOM 76 C ASP A 7 9.046 7.377 1.165 1.00 0.00 C ATOM 77 O ASP A 7 8.585 6.530 0.425 1.00 0.00 O ATOM 78 CB ASP A 7 6.925 8.722 1.071 1.00 0.00 C ATOM 79 CG ASP A 7 6.317 10.059 1.498 1.00 0.00 C ATOM 80 OD1 ASP A 7 6.864 10.676 2.398 1.00 0.00 O ATOM 81 OD2 ASP A 7 5.314 10.444 0.919 1.00 0.00 O ATOM 0 H ASP A 7 8.201 10.169 -0.388 1.00 0.00 H new ATOM 0 HA ASP A 7 8.745 9.224 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.656 8.502 0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.523 7.915 1.684 1.00 0.00 H new ATOM 86 N PRO A 8 10.063 7.178 1.958 1.00 0.00 N ATOM 87 CA PRO A 8 10.743 5.861 2.007 1.00 0.00 C ATOM 88 C PRO A 8 9.869 4.835 2.731 1.00 0.00 C ATOM 89 O PRO A 8 10.104 3.645 2.659 1.00 0.00 O ATOM 90 CB PRO A 8 12.018 6.147 2.796 1.00 0.00 C ATOM 91 CG PRO A 8 11.699 7.348 3.628 1.00 0.00 C ATOM 92 CD PRO A 8 10.669 8.149 2.875 1.00 0.00 C ATOM 0 HA PRO A 8 10.944 5.444 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.295 5.297 3.420 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.859 6.341 2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.316 7.050 4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.595 7.943 3.805 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.927 8.578 3.548 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.126 8.978 2.334 1.00 0.00 H new ATOM 100 N ARG A 9 8.862 5.283 3.431 1.00 0.00 N ATOM 101 CA ARG A 9 7.981 4.338 4.154 1.00 0.00 C ATOM 102 C ARG A 9 7.007 3.683 3.183 1.00 0.00 C ATOM 103 O ARG A 9 6.392 2.678 3.481 1.00 0.00 O ATOM 104 CB ARG A 9 7.242 5.211 5.161 1.00 0.00 C ATOM 105 CG ARG A 9 6.554 6.366 4.430 1.00 0.00 C ATOM 106 CD ARG A 9 6.971 7.693 5.068 1.00 0.00 C ATOM 107 NE ARG A 9 5.752 8.547 5.009 1.00 0.00 N ATOM 108 CZ ARG A 9 5.308 9.125 6.091 1.00 0.00 C ATOM 109 NH1 ARG A 9 4.960 8.403 7.120 1.00 0.00 N ATOM 110 NH2 ARG A 9 5.212 10.425 6.144 1.00 0.00 N ATOM 0 H ARG A 9 8.615 6.268 3.530 1.00 0.00 H new ATOM 0 HA ARG A 9 8.529 3.529 4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.504 4.617 5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.940 5.600 5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.826 6.356 3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.471 6.250 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.303 7.550 6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.799 8.149 4.526 1.00 0.00 H new ATOM 0 HE ARG A 9 5.265 8.680 4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.035 7.387 7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.613 8.855 7.966 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.484 10.990 5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.865 10.877 6.990 1.00 0.00 H new ATOM 124 N LEU A 10 6.875 4.236 2.015 1.00 0.00 N ATOM 125 CA LEU A 10 5.952 3.635 1.016 1.00 0.00 C ATOM 126 C LEU A 10 6.616 2.393 0.431 1.00 0.00 C ATOM 127 O LEU A 10 6.019 1.339 0.353 1.00 0.00 O ATOM 128 CB LEU A 10 5.735 4.719 -0.048 1.00 0.00 C ATOM 129 CG LEU A 10 5.354 4.073 -1.383 1.00 0.00 C ATOM 130 CD1 LEU A 10 4.342 4.961 -2.110 1.00 0.00 C ATOM 131 CD2 LEU A 10 6.607 3.915 -2.247 1.00 0.00 C ATOM 0 H LEU A 10 7.364 5.076 1.707 1.00 0.00 H new ATOM 0 HA LEU A 10 4.996 3.326 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.949 5.402 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.643 5.311 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 10 4.911 3.094 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.071 4.501 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.450 5.075 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.783 5.940 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.338 3.455 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.049 4.895 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.328 3.283 -1.730 1.00 0.00 H new ATOM 143 N ILE A 11 7.861 2.503 0.053 1.00 0.00 N ATOM 144 CA ILE A 11 8.574 1.334 -0.488 1.00 0.00 C ATOM 145 C ILE A 11 8.553 0.219 0.554 1.00 0.00 C ATOM 146 O ILE A 11 8.354 -0.937 0.240 1.00 0.00 O ATOM 147 CB ILE A 11 9.989 1.847 -0.720 1.00 0.00 C ATOM 148 CG1 ILE A 11 10.000 2.756 -1.953 1.00 0.00 C ATOM 149 CG2 ILE A 11 10.919 0.667 -0.935 1.00 0.00 C ATOM 150 CD1 ILE A 11 11.444 3.109 -2.325 1.00 0.00 C ATOM 0 H ILE A 11 8.409 3.362 0.100 1.00 0.00 H new ATOM 0 HA ILE A 11 8.136 0.928 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 11 10.326 2.415 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.511 2.256 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.434 3.665 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.934 1.029 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.903 0.026 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.590 0.098 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.446 3.756 -3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 11 11.918 3.627 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.996 2.196 -2.546 1.00 0.00 H new ATOM 162 N GLU A 12 8.734 0.563 1.804 1.00 0.00 N ATOM 163 CA GLU A 12 8.697 -0.472 2.862 1.00 0.00 C ATOM 164 C GLU A 12 7.361 -1.205 2.793 1.00 0.00 C ATOM 165 O GLU A 12 7.304 -2.391 2.535 1.00 0.00 O ATOM 166 CB GLU A 12 8.831 0.284 4.171 1.00 0.00 C ATOM 167 CG GLU A 12 10.103 -0.163 4.897 1.00 0.00 C ATOM 168 CD GLU A 12 9.769 -1.312 5.848 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.614 -1.703 5.893 1.00 0.00 O ATOM 170 OE2 GLU A 12 10.674 -1.783 6.518 1.00 0.00 O ATOM 0 H GLU A 12 8.905 1.514 2.130 1.00 0.00 H new ATOM 0 HA GLU A 12 9.487 -1.215 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.867 1.357 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.959 0.101 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.854 -0.481 4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.530 0.672 5.453 1.00 0.00 H new ATOM 177 N SER A 13 6.279 -0.502 2.999 1.00 0.00 N ATOM 178 CA SER A 13 4.957 -1.157 2.918 1.00 0.00 C ATOM 179 C SER A 13 4.813 -1.794 1.536 1.00 0.00 C ATOM 180 O SER A 13 4.176 -2.814 1.375 1.00 0.00 O ATOM 181 CB SER A 13 3.947 -0.027 3.129 1.00 0.00 C ATOM 182 OG SER A 13 3.413 -0.112 4.444 1.00 0.00 O ATOM 0 H SER A 13 6.261 0.494 3.219 1.00 0.00 H new ATOM 0 HA SER A 13 4.812 -1.948 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.429 0.939 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.146 -0.098 2.394 1.00 0.00 H new ATOM 0 HG SER A 13 2.767 0.612 4.582 1.00 0.00 H new ATOM 188 N LEU A 14 5.429 -1.214 0.538 1.00 0.00 N ATOM 189 CA LEU A 14 5.349 -1.816 -0.821 1.00 0.00 C ATOM 190 C LEU A 14 6.080 -3.156 -0.807 1.00 0.00 C ATOM 191 O LEU A 14 5.702 -4.091 -1.485 1.00 0.00 O ATOM 192 CB LEU A 14 6.060 -0.833 -1.754 1.00 0.00 C ATOM 193 CG LEU A 14 5.088 -0.354 -2.833 1.00 0.00 C ATOM 194 CD1 LEU A 14 4.687 -1.534 -3.720 1.00 0.00 C ATOM 195 CD2 LEU A 14 3.842 0.229 -2.168 1.00 0.00 C ATOM 0 H LEU A 14 5.979 -0.357 0.606 1.00 0.00 H new ATOM 0 HA LEU A 14 4.322 -1.990 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.435 0.018 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.923 -1.313 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 14 5.569 0.411 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.994 -1.192 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.576 -1.953 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.205 -2.299 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.147 0.571 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.362 -0.537 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.127 1.069 -1.535 1.00 0.00 H new ATOM 207 N SER A 15 7.126 -3.254 -0.033 1.00 0.00 N ATOM 208 CA SER A 15 7.880 -4.527 0.032 1.00 0.00 C ATOM 209 C SER A 15 6.979 -5.644 0.557 1.00 0.00 C ATOM 210 O SER A 15 6.959 -6.736 0.025 1.00 0.00 O ATOM 211 CB SER A 15 9.028 -4.260 1.005 1.00 0.00 C ATOM 212 OG SER A 15 10.256 -4.639 0.398 1.00 0.00 O ATOM 0 H SER A 15 7.488 -2.504 0.556 1.00 0.00 H new ATOM 0 HA SER A 15 8.243 -4.844 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.053 -3.204 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.876 -4.821 1.927 1.00 0.00 H new ATOM 0 HG SER A 15 10.995 -4.467 1.019 1.00 0.00 H new ATOM 218 N GLN A 16 6.236 -5.387 1.600 1.00 0.00 N ATOM 219 CA GLN A 16 5.355 -6.437 2.146 1.00 0.00 C ATOM 220 C GLN A 16 4.261 -6.792 1.137 1.00 0.00 C ATOM 221 O GLN A 16 3.814 -7.920 1.070 1.00 0.00 O ATOM 222 CB GLN A 16 4.789 -5.828 3.433 1.00 0.00 C ATOM 223 CG GLN A 16 3.524 -5.018 3.136 1.00 0.00 C ATOM 224 CD GLN A 16 2.292 -5.904 3.329 1.00 0.00 C ATOM 225 OE1 GLN A 16 1.498 -6.066 2.425 1.00 0.00 O ATOM 226 NE2 GLN A 16 2.099 -6.488 4.481 1.00 0.00 N ATOM 0 H GLN A 16 6.207 -4.494 2.091 1.00 0.00 H new ATOM 0 HA GLN A 16 5.875 -7.373 2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.561 -6.620 4.147 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.537 -5.186 3.898 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.470 -4.153 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.555 -4.637 2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.766 -6.352 5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.281 -7.081 4.622 1.00 0.00 H new ATOM 235 N MET A 17 3.842 -5.854 0.333 1.00 0.00 N ATOM 236 CA MET A 17 2.807 -6.174 -0.675 1.00 0.00 C ATOM 237 C MET A 17 3.471 -6.903 -1.837 1.00 0.00 C ATOM 238 O MET A 17 2.848 -7.666 -2.549 1.00 0.00 O ATOM 239 CB MET A 17 2.254 -4.825 -1.114 1.00 0.00 C ATOM 240 CG MET A 17 1.121 -4.409 -0.181 1.00 0.00 C ATOM 241 SD MET A 17 0.452 -2.826 -0.735 1.00 0.00 S ATOM 242 CE MET A 17 2.019 -1.926 -0.814 1.00 0.00 C ATOM 0 H MET A 17 4.172 -4.889 0.334 1.00 0.00 H new ATOM 0 HA MET A 17 2.013 -6.816 -0.295 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.044 -4.075 -1.100 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.890 -4.886 -2.140 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.338 -5.168 -0.178 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.488 -4.325 0.842 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.828 -0.856 -0.735 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.662 -2.242 0.008 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.513 -2.137 -1.763 1.00 0.00 H new ATOM 252 N LEU A 18 4.748 -6.688 -2.019 1.00 0.00 N ATOM 253 CA LEU A 18 5.464 -7.386 -3.119 1.00 0.00 C ATOM 254 C LEU A 18 5.555 -8.868 -2.784 1.00 0.00 C ATOM 255 O LEU A 18 5.615 -9.715 -3.653 1.00 0.00 O ATOM 256 CB LEU A 18 6.854 -6.748 -3.170 1.00 0.00 C ATOM 257 CG LEU A 18 7.781 -7.614 -4.024 1.00 0.00 C ATOM 258 CD1 LEU A 18 7.309 -7.587 -5.479 1.00 0.00 C ATOM 259 CD2 LEU A 18 9.207 -7.066 -3.942 1.00 0.00 C ATOM 0 H LEU A 18 5.321 -6.061 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 18 4.959 -7.296 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.790 -5.743 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.258 -6.649 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 18 7.762 -8.639 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.970 -8.204 -6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.292 -7.976 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.328 -6.562 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.869 -7.682 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.225 -6.041 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.545 -7.084 -2.906 1.00 0.00 H new ATOM 271 N SER A 19 5.543 -9.183 -1.522 1.00 0.00 N ATOM 272 CA SER A 19 5.603 -10.613 -1.113 1.00 0.00 C ATOM 273 C SER A 19 4.208 -11.073 -0.698 1.00 0.00 C ATOM 274 O SER A 19 4.044 -12.029 0.034 1.00 0.00 O ATOM 275 CB SER A 19 6.566 -10.656 0.073 1.00 0.00 C ATOM 276 OG SER A 19 5.898 -10.190 1.238 1.00 0.00 O ATOM 0 H SER A 19 5.494 -8.513 -0.755 1.00 0.00 H new ATOM 0 HA SER A 19 5.940 -11.269 -1.916 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.925 -11.674 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.440 -10.037 -0.131 1.00 0.00 H new ATOM 0 HG SER A 19 5.351 -9.409 1.011 1.00 0.00 H new ATOM 282 N MET A 20 3.201 -10.389 -1.164 1.00 0.00 N ATOM 283 CA MET A 20 1.808 -10.766 -0.808 1.00 0.00 C ATOM 284 C MET A 20 1.112 -11.427 -1.990 1.00 0.00 C ATOM 285 O MET A 20 0.719 -12.576 -1.941 1.00 0.00 O ATOM 286 CB MET A 20 1.128 -9.454 -0.454 1.00 0.00 C ATOM 287 CG MET A 20 0.799 -9.436 1.040 1.00 0.00 C ATOM 288 SD MET A 20 -0.749 -10.330 1.327 1.00 0.00 S ATOM 289 CE MET A 20 -0.018 -11.956 1.633 1.00 0.00 C ATOM 0 H MET A 20 3.285 -9.580 -1.780 1.00 0.00 H new ATOM 0 HA MET A 20 1.774 -11.482 0.013 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.779 -8.616 -0.704 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.216 -9.335 -1.039 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.608 -9.896 1.607 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.708 -8.408 1.391 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.604 -12.483 2.386 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.013 -12.533 0.708 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.005 -11.834 1.989 1.00 0.00 H new ATOM 299 N GLY A 21 0.940 -10.692 -3.040 1.00 0.00 N ATOM 300 CA GLY A 21 0.250 -11.225 -4.232 1.00 0.00 C ATOM 301 C GLY A 21 -0.947 -10.336 -4.480 1.00 0.00 C ATOM 302 O GLY A 21 -2.052 -10.786 -4.710 1.00 0.00 O ATOM 0 H GLY A 21 1.255 -9.725 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.916 -11.226 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.062 -12.256 -4.069 1.00 0.00 H new ATOM 306 N PHE A 22 -0.726 -9.067 -4.377 1.00 0.00 N ATOM 307 CA PHE A 22 -1.824 -8.099 -4.537 1.00 0.00 C ATOM 308 C PHE A 22 -1.994 -7.636 -5.976 1.00 0.00 C ATOM 309 O PHE A 22 -1.302 -8.053 -6.883 1.00 0.00 O ATOM 310 CB PHE A 22 -1.422 -6.937 -3.641 1.00 0.00 C ATOM 311 CG PHE A 22 -1.847 -7.251 -2.241 1.00 0.00 C ATOM 312 CD1 PHE A 22 -3.136 -7.730 -2.006 1.00 0.00 C ATOM 313 CD2 PHE A 22 -0.956 -7.074 -1.178 1.00 0.00 C ATOM 314 CE1 PHE A 22 -3.539 -8.025 -0.704 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.362 -7.370 0.125 1.00 0.00 C ATOM 316 CZ PHE A 22 -2.658 -7.845 0.359 1.00 0.00 C ATOM 0 H PHE A 22 0.186 -8.654 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.785 -8.539 -4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.344 -6.780 -3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.892 -6.015 -3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.820 -7.872 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.043 -6.709 -1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.537 -8.394 -0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.678 -7.233 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.975 -8.072 1.366 1.00 0.00 H new ATOM 326 N SER A 23 -2.945 -6.775 -6.165 1.00 0.00 N ATOM 327 CA SER A 23 -3.249 -6.239 -7.510 1.00 0.00 C ATOM 328 C SER A 23 -2.743 -4.803 -7.645 1.00 0.00 C ATOM 329 O SER A 23 -1.830 -4.385 -6.960 1.00 0.00 O ATOM 330 CB SER A 23 -4.774 -6.261 -7.593 1.00 0.00 C ATOM 331 OG SER A 23 -5.181 -7.200 -8.580 1.00 0.00 O ATOM 0 H SER A 23 -3.540 -6.411 -5.421 1.00 0.00 H new ATOM 0 HA SER A 23 -2.773 -6.819 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.198 -6.528 -6.625 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.150 -5.269 -7.843 1.00 0.00 H new ATOM 0 HG SER A 23 -6.159 -7.216 -8.633 1.00 0.00 H new ATOM 337 N ASP A 24 -3.340 -4.045 -8.522 1.00 0.00 N ATOM 338 CA ASP A 24 -2.912 -2.633 -8.703 1.00 0.00 C ATOM 339 C ASP A 24 -3.955 -1.867 -9.517 1.00 0.00 C ATOM 340 O ASP A 24 -3.637 -0.934 -10.223 1.00 0.00 O ATOM 341 CB ASP A 24 -1.589 -2.712 -9.460 1.00 0.00 C ATOM 342 CG ASP A 24 -0.809 -1.411 -9.266 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.128 -0.686 -8.338 1.00 0.00 O ATOM 344 OD2 ASP A 24 0.095 -1.162 -10.047 1.00 0.00 O ATOM 0 H ASP A 24 -4.108 -4.345 -9.122 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.804 -2.109 -7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.002 -3.557 -9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.775 -2.882 -10.521 1.00 0.00 H new ATOM 349 N GLU A 25 -5.204 -2.243 -9.420 1.00 0.00 N ATOM 350 CA GLU A 25 -6.251 -1.512 -10.188 1.00 0.00 C ATOM 351 C GLU A 25 -6.101 -0.014 -9.922 1.00 0.00 C ATOM 352 O GLU A 25 -6.004 0.415 -8.791 1.00 0.00 O ATOM 353 CB GLU A 25 -7.586 -2.031 -9.653 1.00 0.00 C ATOM 354 CG GLU A 25 -7.622 -1.888 -8.130 1.00 0.00 C ATOM 355 CD GLU A 25 -8.254 -0.545 -7.758 1.00 0.00 C ATOM 356 OE1 GLU A 25 -9.175 -0.135 -8.447 1.00 0.00 O ATOM 357 OE2 GLU A 25 -7.810 0.050 -6.791 1.00 0.00 O ATOM 0 H GLU A 25 -5.540 -3.017 -8.848 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.176 -1.667 -11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.409 -1.474 -10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.720 -3.076 -9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.194 -2.705 -7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.612 -1.952 -7.724 1.00 0.00 H new ATOM 364 N GLY A 26 -6.051 0.786 -10.949 1.00 0.00 N ATOM 365 CA GLY A 26 -5.873 2.248 -10.731 1.00 0.00 C ATOM 366 C GLY A 26 -4.451 2.493 -10.216 1.00 0.00 C ATOM 367 O GLY A 26 -4.099 3.587 -9.820 1.00 0.00 O ATOM 0 H GLY A 26 -6.125 0.494 -11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.038 2.792 -11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.605 2.616 -10.012 1.00 0.00 H new ATOM 371 N GLY A 27 -3.630 1.473 -10.226 1.00 0.00 N ATOM 372 CA GLY A 27 -2.231 1.619 -9.751 1.00 0.00 C ATOM 373 C GLY A 27 -2.211 2.073 -8.291 1.00 0.00 C ATOM 374 O GLY A 27 -1.647 3.098 -7.965 1.00 0.00 O ATOM 0 H GLY A 27 -3.878 0.537 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.705 0.670 -9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.703 2.343 -10.371 1.00 0.00 H new ATOM 378 N TRP A 28 -2.818 1.328 -7.402 1.00 0.00 N ATOM 379 CA TRP A 28 -2.815 1.745 -5.984 1.00 0.00 C ATOM 380 C TRP A 28 -1.608 1.167 -5.245 1.00 0.00 C ATOM 381 O TRP A 28 -1.156 1.728 -4.273 1.00 0.00 O ATOM 382 CB TRP A 28 -4.129 1.225 -5.409 1.00 0.00 C ATOM 383 CG TRP A 28 -4.217 -0.260 -5.471 1.00 0.00 C ATOM 384 CD1 TRP A 28 -5.079 -0.936 -6.244 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.476 -1.250 -4.728 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.904 -2.295 -6.039 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.923 -2.536 -5.109 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.466 -1.159 -3.779 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -3.380 -3.690 -4.553 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -1.923 -2.298 -3.220 1.00 0.00 C ATOM 391 CH2 TRP A 28 -2.370 -3.569 -3.598 1.00 0.00 C ATOM 0 H TRP A 28 -3.310 0.457 -7.603 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.735 2.827 -5.877 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.225 1.551 -4.373 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.963 1.661 -5.959 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.796 -0.492 -6.919 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.435 -3.023 -6.517 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.102 -0.188 -3.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.735 -4.664 -4.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.142 -2.207 -2.480 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.935 -4.452 -3.153 1.00 0.00 H new ATOM 402 N LEU A 29 -1.058 0.072 -5.682 1.00 0.00 N ATOM 403 CA LEU A 29 0.125 -0.460 -4.957 1.00 0.00 C ATOM 404 C LEU A 29 1.120 0.683 -4.729 1.00 0.00 C ATOM 405 O LEU A 29 1.917 0.655 -3.813 1.00 0.00 O ATOM 406 CB LEU A 29 0.699 -1.554 -5.857 1.00 0.00 C ATOM 407 CG LEU A 29 0.368 -2.920 -5.246 1.00 0.00 C ATOM 408 CD1 LEU A 29 0.997 -4.037 -6.078 1.00 0.00 C ATOM 409 CD2 LEU A 29 0.918 -2.991 -3.821 1.00 0.00 C ATOM 0 H LEU A 29 -1.367 -0.467 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.117 -0.870 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.278 -1.477 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.778 -1.435 -5.954 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.715 -3.045 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.755 -5.002 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.606 -3.997 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.079 -3.909 -6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.682 -3.963 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.999 -2.856 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.465 -2.205 -3.217 1.00 0.00 H new ATOM 421 N THR A 30 1.054 1.707 -5.544 1.00 0.00 N ATOM 422 CA THR A 30 1.964 2.875 -5.368 1.00 0.00 C ATOM 423 C THR A 30 1.214 4.030 -4.683 1.00 0.00 C ATOM 424 O THR A 30 1.728 4.675 -3.791 1.00 0.00 O ATOM 425 CB THR A 30 2.379 3.274 -6.785 1.00 0.00 C ATOM 426 OG1 THR A 30 2.966 2.156 -7.437 1.00 0.00 O ATOM 427 CG2 THR A 30 3.393 4.418 -6.718 1.00 0.00 C ATOM 0 H THR A 30 0.405 1.782 -6.327 1.00 0.00 H new ATOM 0 HA THR A 30 2.825 2.637 -4.744 1.00 0.00 H new ATOM 0 HB THR A 30 1.502 3.601 -7.343 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.231 2.409 -8.346 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.688 4.702 -7.728 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.942 5.275 -6.217 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.272 4.093 -6.161 1.00 0.00 H new ATOM 435 N ARG A 31 0.002 4.298 -5.104 1.00 0.00 N ATOM 436 CA ARG A 31 -0.790 5.414 -4.491 1.00 0.00 C ATOM 437 C ARG A 31 -1.576 4.913 -3.278 1.00 0.00 C ATOM 438 O ARG A 31 -1.731 5.625 -2.306 1.00 0.00 O ATOM 439 CB ARG A 31 -1.744 5.867 -5.597 1.00 0.00 C ATOM 440 CG ARG A 31 -2.576 7.052 -5.104 1.00 0.00 C ATOM 441 CD ARG A 31 -3.064 7.866 -6.304 1.00 0.00 C ATOM 442 NE ARG A 31 -3.848 6.903 -7.126 1.00 0.00 N ATOM 443 CZ ARG A 31 -4.937 7.294 -7.730 1.00 0.00 C ATOM 444 NH1 ARG A 31 -5.981 7.643 -7.030 1.00 0.00 N ATOM 445 NH2 ARG A 31 -4.981 7.335 -9.034 1.00 0.00 N ATOM 0 H ARG A 31 -0.476 3.791 -5.849 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.153 6.224 -4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.179 6.151 -6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.399 5.045 -5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.426 6.696 -4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.978 7.680 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.680 8.708 -5.987 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.228 8.278 -6.869 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.534 5.937 -7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.946 7.610 -6.011 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.832 7.949 -7.502 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.164 7.061 -9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.832 7.641 -9.506 1.00 0.00 H new ATOM 459 N LEU A 32 -2.068 3.695 -3.325 1.00 0.00 N ATOM 460 CA LEU A 32 -2.838 3.144 -2.166 1.00 0.00 C ATOM 461 C LEU A 32 -2.209 3.643 -0.868 1.00 0.00 C ATOM 462 O LEU A 32 -2.808 4.372 -0.106 1.00 0.00 O ATOM 463 CB LEU A 32 -2.684 1.634 -2.237 1.00 0.00 C ATOM 464 CG LEU A 32 -3.514 0.994 -1.125 1.00 0.00 C ATOM 465 CD1 LEU A 32 -4.866 0.550 -1.687 1.00 0.00 C ATOM 466 CD2 LEU A 32 -2.769 -0.217 -0.562 1.00 0.00 C ATOM 0 H LEU A 32 -1.968 3.060 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.884 3.448 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.013 1.268 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.635 1.358 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.675 1.721 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.458 0.094 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.397 1.415 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.708 -0.176 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.362 -0.673 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.605 -0.945 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.808 0.102 -0.159 1.00 0.00 H new ATOM 478 N LEU A 33 -0.974 3.272 -0.641 1.00 0.00 N ATOM 479 CA LEU A 33 -0.262 3.741 0.576 1.00 0.00 C ATOM 480 C LEU A 33 -0.539 5.228 0.742 1.00 0.00 C ATOM 481 O LEU A 33 -1.030 5.679 1.758 1.00 0.00 O ATOM 482 CB LEU A 33 1.224 3.510 0.264 1.00 0.00 C ATOM 483 CG LEU A 33 1.825 2.477 1.222 1.00 0.00 C ATOM 484 CD1 LEU A 33 0.841 1.328 1.444 1.00 0.00 C ATOM 485 CD2 LEU A 33 3.111 1.916 0.614 1.00 0.00 C ATOM 0 H LEU A 33 -0.430 2.662 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.568 3.230 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.336 3.167 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.769 4.451 0.347 1.00 0.00 H new ATOM 0 HG LEU A 33 2.037 2.960 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.280 0.600 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.082 1.717 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.623 0.846 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.543 1.180 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.885 1.441 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.823 2.726 0.457 1.00 0.00 H new ATOM 497 N GLN A 34 -0.234 5.984 -0.266 1.00 0.00 N ATOM 498 CA GLN A 34 -0.472 7.437 -0.220 1.00 0.00 C ATOM 499 C GLN A 34 -1.957 7.724 0.038 1.00 0.00 C ATOM 500 O GLN A 34 -2.308 8.631 0.766 1.00 0.00 O ATOM 501 CB GLN A 34 -0.057 7.900 -1.611 1.00 0.00 C ATOM 502 CG GLN A 34 1.428 8.263 -1.607 1.00 0.00 C ATOM 503 CD GLN A 34 1.660 9.487 -2.494 1.00 0.00 C ATOM 504 OE1 GLN A 34 1.664 10.604 -2.020 1.00 0.00 O ATOM 505 NE2 GLN A 34 1.856 9.320 -3.774 1.00 0.00 N ATOM 0 H GLN A 34 0.178 5.646 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 34 0.075 7.944 0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.247 7.112 -2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.652 8.762 -1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.759 8.471 -0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.019 7.422 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.853 8.381 -4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.013 10.129 -4.376 1.00 0.00 H new ATOM 514 N THR A 35 -2.831 6.957 -0.562 1.00 0.00 N ATOM 515 CA THR A 35 -4.288 7.176 -0.367 1.00 0.00 C ATOM 516 C THR A 35 -4.744 6.637 0.994 1.00 0.00 C ATOM 517 O THR A 35 -5.282 7.360 1.810 1.00 0.00 O ATOM 518 CB THR A 35 -4.957 6.398 -1.501 1.00 0.00 C ATOM 519 OG1 THR A 35 -4.033 5.469 -2.045 1.00 0.00 O ATOM 520 CG2 THR A 35 -5.411 7.368 -2.594 1.00 0.00 C ATOM 0 H THR A 35 -2.592 6.184 -1.183 1.00 0.00 H new ATOM 0 HA THR A 35 -4.546 8.235 -0.383 1.00 0.00 H new ATOM 0 HB THR A 35 -5.824 5.864 -1.111 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.233 5.326 -2.994 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.887 6.810 -3.400 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.122 8.080 -2.176 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.547 7.905 -2.985 1.00 0.00 H new ATOM 528 N LYS A 36 -4.539 5.371 1.241 1.00 0.00 N ATOM 529 CA LYS A 36 -4.966 4.778 2.545 1.00 0.00 C ATOM 530 C LYS A 36 -3.950 5.101 3.646 1.00 0.00 C ATOM 531 O LYS A 36 -4.024 4.581 4.738 1.00 0.00 O ATOM 532 CB LYS A 36 -5.022 3.270 2.293 1.00 0.00 C ATOM 533 CG LYS A 36 -6.399 2.736 2.691 1.00 0.00 C ATOM 534 CD LYS A 36 -7.148 2.269 1.441 1.00 0.00 C ATOM 535 CE LYS A 36 -7.847 3.463 0.787 1.00 0.00 C ATOM 536 NZ LYS A 36 -9.233 3.442 1.332 1.00 0.00 N ATOM 0 H LYS A 36 -4.093 4.719 0.595 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.924 5.175 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.829 3.059 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.245 2.766 2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.291 1.909 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.969 3.513 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.452 1.811 0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.880 1.507 1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.341 4.398 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.848 3.373 -0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.776 4.232 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.691 2.543 1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.200 3.536 2.367 1.00 0.00 H new ATOM 550 N ASN A 37 -3.013 5.964 3.367 1.00 0.00 N ATOM 551 CA ASN A 37 -1.996 6.344 4.387 1.00 0.00 C ATOM 552 C ASN A 37 -1.152 5.137 4.829 1.00 0.00 C ATOM 553 O ASN A 37 -1.106 4.792 5.993 1.00 0.00 O ATOM 554 CB ASN A 37 -2.805 6.907 5.550 1.00 0.00 C ATOM 555 CG ASN A 37 -1.862 7.317 6.683 1.00 0.00 C ATOM 556 OD1 ASN A 37 -1.322 8.406 6.675 1.00 0.00 O ATOM 557 ND2 ASN A 37 -1.639 6.486 7.664 1.00 0.00 N ATOM 0 H ASN A 37 -2.908 6.428 2.465 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.281 7.066 3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.386 7.767 5.218 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.515 6.161 5.907 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.012 6.750 8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.092 5.572 7.671 1.00 0.00 H new ATOM 564 N TYR A 38 -0.445 4.532 3.911 1.00 0.00 N ATOM 565 CA TYR A 38 0.446 3.391 4.265 1.00 0.00 C ATOM 566 C TYR A 38 -0.256 2.436 5.229 1.00 0.00 C ATOM 567 O TYR A 38 0.365 1.769 6.033 1.00 0.00 O ATOM 568 CB TYR A 38 1.667 4.060 4.902 1.00 0.00 C ATOM 569 CG TYR A 38 2.281 5.024 3.900 1.00 0.00 C ATOM 570 CD1 TYR A 38 1.554 6.136 3.432 1.00 0.00 C ATOM 571 CD2 TYR A 38 3.576 4.797 3.420 1.00 0.00 C ATOM 572 CE1 TYR A 38 2.117 7.001 2.502 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.136 5.672 2.483 1.00 0.00 C ATOM 574 CZ TYR A 38 3.408 6.772 2.023 1.00 0.00 C ATOM 575 OH TYR A 38 3.963 7.632 1.097 1.00 0.00 O ATOM 0 H TYR A 38 -0.448 4.783 2.922 1.00 0.00 H new ATOM 0 HA TYR A 38 0.722 2.779 3.406 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.375 4.593 5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.398 3.307 5.197 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.554 6.317 3.798 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.142 3.948 3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.555 7.853 2.149 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.136 5.496 2.114 1.00 0.00 H new ATOM 0 HH TYR A 38 3.598 8.532 1.227 1.00 0.00 H new ATOM 585 N ASP A 39 -1.549 2.359 5.129 1.00 0.00 N ATOM 586 CA ASP A 39 -2.329 1.440 6.006 1.00 0.00 C ATOM 587 C ASP A 39 -2.470 0.069 5.340 1.00 0.00 C ATOM 588 O ASP A 39 -3.450 -0.614 5.538 1.00 0.00 O ATOM 589 CB ASP A 39 -3.697 2.101 6.122 1.00 0.00 C ATOM 590 CG ASP A 39 -3.680 3.121 7.262 1.00 0.00 C ATOM 591 OD1 ASP A 39 -3.894 2.719 8.394 1.00 0.00 O ATOM 592 OD2 ASP A 39 -3.452 4.287 6.984 1.00 0.00 O ATOM 0 H ASP A 39 -2.109 2.899 4.469 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.852 1.282 6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.955 2.593 5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.462 1.347 6.307 1.00 0.00 H new ATOM 597 N ILE A 40 -1.516 -0.344 4.542 1.00 0.00 N ATOM 598 CA ILE A 40 -1.665 -1.674 3.878 1.00 0.00 C ATOM 599 C ILE A 40 -2.112 -2.727 4.884 1.00 0.00 C ATOM 600 O ILE A 40 -2.672 -3.728 4.513 1.00 0.00 O ATOM 601 CB ILE A 40 -0.319 -2.055 3.263 1.00 0.00 C ATOM 602 CG1 ILE A 40 0.843 -1.467 4.060 1.00 0.00 C ATOM 603 CG2 ILE A 40 -0.265 -1.538 1.829 1.00 0.00 C ATOM 604 CD1 ILE A 40 2.117 -2.230 3.690 1.00 0.00 C ATOM 0 H ILE A 40 -0.661 0.168 4.326 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.426 -1.618 3.100 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.225 -3.141 3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.958 -0.406 3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.649 -1.549 5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.692 -1.805 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.073 -1.985 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.375 -0.454 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.960 -1.824 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.993 -3.285 3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.307 -2.125 2.622 1.00 0.00 H new ATOM 616 N GLY A 41 -1.900 -2.513 6.154 1.00 0.00 N ATOM 617 CA GLY A 41 -2.376 -3.523 7.139 1.00 0.00 C ATOM 618 C GLY A 41 -3.898 -3.450 7.137 1.00 0.00 C ATOM 619 O GLY A 41 -4.587 -4.425 6.914 1.00 0.00 O ATOM 0 H GLY A 41 -1.427 -1.699 6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.036 -4.522 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.979 -3.312 8.132 1.00 0.00 H new ATOM 623 N ALA A 42 -4.418 -2.274 7.335 1.00 0.00 N ATOM 624 CA ALA A 42 -5.883 -2.081 7.291 1.00 0.00 C ATOM 625 C ALA A 42 -6.314 -2.195 5.839 1.00 0.00 C ATOM 626 O ALA A 42 -7.324 -2.788 5.514 1.00 0.00 O ATOM 627 CB ALA A 42 -6.089 -0.658 7.818 1.00 0.00 C ATOM 0 H ALA A 42 -3.879 -1.430 7.528 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.455 -2.804 7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.153 -0.422 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.697 -0.585 8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.564 0.048 7.175 1.00 0.00 H new ATOM 633 N ALA A 43 -5.519 -1.658 4.959 1.00 0.00 N ATOM 634 CA ALA A 43 -5.835 -1.759 3.520 1.00 0.00 C ATOM 635 C ALA A 43 -5.754 -3.227 3.120 1.00 0.00 C ATOM 636 O ALA A 43 -6.469 -3.679 2.259 1.00 0.00 O ATOM 637 CB ALA A 43 -4.756 -0.941 2.810 1.00 0.00 C ATOM 0 H ALA A 43 -4.661 -1.152 5.181 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.829 -1.391 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.926 -0.970 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.796 0.092 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.775 -1.361 3.034 1.00 0.00 H new ATOM 643 N LEU A 44 -4.894 -3.982 3.763 1.00 0.00 N ATOM 644 CA LEU A 44 -4.786 -5.430 3.432 1.00 0.00 C ATOM 645 C LEU A 44 -6.183 -5.999 3.266 1.00 0.00 C ATOM 646 O LEU A 44 -6.465 -6.745 2.353 1.00 0.00 O ATOM 647 CB LEU A 44 -4.104 -6.078 4.635 1.00 0.00 C ATOM 648 CG LEU A 44 -3.016 -7.052 4.173 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.674 -8.287 3.557 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.114 -6.378 3.133 1.00 0.00 C ATOM 0 H LEU A 44 -4.267 -3.656 4.498 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.228 -5.607 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.666 -5.308 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.842 -6.607 5.238 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.409 -7.346 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.903 -8.983 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.306 -8.772 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.282 -7.988 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.344 -7.079 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.712 -6.076 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.644 -5.499 3.574 1.00 0.00 H new ATOM 662 N ASP A 45 -7.060 -5.638 4.149 1.00 0.00 N ATOM 663 CA ASP A 45 -8.448 -6.140 4.064 1.00 0.00 C ATOM 664 C ASP A 45 -9.065 -5.715 2.732 1.00 0.00 C ATOM 665 O ASP A 45 -9.850 -6.428 2.140 1.00 0.00 O ATOM 666 CB ASP A 45 -9.144 -5.520 5.297 1.00 0.00 C ATOM 667 CG ASP A 45 -10.402 -4.744 4.887 1.00 0.00 C ATOM 668 OD1 ASP A 45 -10.270 -3.583 4.533 1.00 0.00 O ATOM 669 OD2 ASP A 45 -11.474 -5.324 4.934 1.00 0.00 O ATOM 0 H ASP A 45 -6.873 -5.012 4.932 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.538 -7.226 4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.412 -6.307 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.453 -4.853 5.812 1.00 0.00 H new ATOM 674 N THR A 46 -8.683 -4.581 2.248 1.00 0.00 N ATOM 675 CA THR A 46 -9.199 -4.115 0.944 1.00 0.00 C ATOM 676 C THR A 46 -8.234 -4.577 -0.147 1.00 0.00 C ATOM 677 O THR A 46 -8.600 -4.743 -1.293 1.00 0.00 O ATOM 678 CB THR A 46 -9.269 -2.577 1.059 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.595 -2.151 0.783 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.305 -1.897 0.071 1.00 0.00 C ATOM 0 H THR A 46 -8.027 -3.947 2.704 1.00 0.00 H new ATOM 0 HA THR A 46 -10.181 -4.513 0.689 1.00 0.00 H new ATOM 0 HB THR A 46 -8.978 -2.295 2.071 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.647 -1.175 0.856 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.379 -0.815 0.177 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.284 -2.214 0.283 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.569 -2.180 -0.948 1.00 0.00 H new ATOM 688 N ILE A 47 -6.998 -4.788 0.213 1.00 0.00 N ATOM 689 CA ILE A 47 -6.003 -5.241 -0.777 1.00 0.00 C ATOM 690 C ILE A 47 -6.081 -6.762 -0.931 1.00 0.00 C ATOM 691 O ILE A 47 -5.679 -7.312 -1.937 1.00 0.00 O ATOM 692 CB ILE A 47 -4.676 -4.778 -0.214 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.753 -3.271 -0.052 1.00 0.00 C ATOM 694 CG2 ILE A 47 -3.550 -5.110 -1.188 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.814 -2.614 -1.432 1.00 0.00 C ATOM 0 H ILE A 47 -6.640 -4.663 1.160 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.163 -4.837 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.477 -5.272 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.634 -3.001 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.884 -2.908 0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.600 -4.773 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.514 -6.187 -1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.731 -4.607 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.869 -1.531 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.920 -2.874 -1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.697 -2.968 -1.965 1.00 0.00 H new ATOM 707 N GLN A 48 -6.627 -7.461 0.039 1.00 0.00 N ATOM 708 CA GLN A 48 -6.750 -8.929 -0.121 1.00 0.00 C ATOM 709 C GLN A 48 -8.169 -9.265 -0.570 1.00 0.00 C ATOM 710 O GLN A 48 -8.481 -10.396 -0.886 1.00 0.00 O ATOM 711 CB GLN A 48 -6.425 -9.544 1.231 1.00 0.00 C ATOM 712 CG GLN A 48 -5.089 -10.293 1.141 1.00 0.00 C ATOM 713 CD GLN A 48 -5.105 -11.238 -0.066 1.00 0.00 C ATOM 714 OE1 GLN A 48 -6.061 -11.961 -0.270 1.00 0.00 O ATOM 715 NE2 GLN A 48 -4.083 -11.265 -0.884 1.00 0.00 N ATOM 0 H GLN A 48 -6.984 -7.079 0.915 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.070 -9.322 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.368 -8.766 1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.219 -10.228 1.532 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.268 -9.582 1.047 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.917 -10.860 2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.279 -10.660 -0.716 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.091 -11.891 -1.689 1.00 0.00 H new ATOM 724 N TYR A 49 -9.021 -8.272 -0.628 1.00 0.00 N ATOM 725 CA TYR A 49 -10.418 -8.498 -1.088 1.00 0.00 C ATOM 726 C TYR A 49 -10.944 -9.847 -0.586 1.00 0.00 C ATOM 727 O TYR A 49 -10.905 -10.838 -1.286 1.00 0.00 O ATOM 728 CB TYR A 49 -10.306 -8.483 -2.610 1.00 0.00 C ATOM 729 CG TYR A 49 -9.570 -7.235 -3.048 1.00 0.00 C ATOM 730 CD1 TYR A 49 -8.176 -7.148 -2.899 1.00 0.00 C ATOM 731 CD2 TYR A 49 -10.279 -6.164 -3.604 1.00 0.00 C ATOM 732 CE1 TYR A 49 -7.496 -5.991 -3.307 1.00 0.00 C ATOM 733 CE2 TYR A 49 -9.600 -5.009 -4.012 1.00 0.00 C ATOM 734 CZ TYR A 49 -8.210 -4.922 -3.864 1.00 0.00 C ATOM 735 OH TYR A 49 -7.544 -3.782 -4.265 1.00 0.00 O ATOM 0 H TYR A 49 -8.803 -7.309 -0.374 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.115 -7.749 -0.712 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.776 -9.371 -2.955 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.299 -8.509 -3.059 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.627 -7.973 -2.470 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.351 -6.228 -3.719 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.424 -5.924 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.149 -4.184 -4.441 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.187 -3.139 -4.630 1.00 0.00 H new ATOM 745 N SER A 50 -11.434 -9.888 0.623 1.00 0.00 N ATOM 746 CA SER A 50 -11.960 -11.170 1.171 1.00 0.00 C ATOM 747 C SER A 50 -12.888 -11.842 0.155 1.00 0.00 C ATOM 748 O SER A 50 -12.880 -13.047 -0.005 1.00 0.00 O ATOM 749 CB SER A 50 -12.739 -10.771 2.424 1.00 0.00 C ATOM 750 OG SER A 50 -12.269 -9.513 2.888 1.00 0.00 O ATOM 0 H SER A 50 -11.493 -9.089 1.255 1.00 0.00 H new ATOM 0 HA SER A 50 -11.165 -11.882 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.804 -10.714 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.615 -11.527 3.199 1.00 0.00 H new ATOM 0 HG SER A 50 -12.847 -8.800 2.543 1.00 0.00 H new ATOM 756 N LYS A 51 -13.689 -11.073 -0.531 1.00 0.00 N ATOM 757 CA LYS A 51 -14.618 -11.670 -1.535 1.00 0.00 C ATOM 758 C LYS A 51 -13.893 -11.893 -2.864 1.00 0.00 C ATOM 759 O LYS A 51 -12.682 -11.813 -2.944 1.00 0.00 O ATOM 760 CB LYS A 51 -15.735 -10.639 -1.701 1.00 0.00 C ATOM 761 CG LYS A 51 -16.520 -10.520 -0.394 1.00 0.00 C ATOM 762 CD LYS A 51 -16.265 -9.148 0.231 1.00 0.00 C ATOM 763 CE LYS A 51 -17.315 -8.154 -0.273 1.00 0.00 C ATOM 764 NZ LYS A 51 -17.700 -7.361 0.927 1.00 0.00 N ATOM 0 H LYS A 51 -13.741 -10.058 -0.441 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.000 -12.640 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.313 -9.671 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.401 -10.936 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.585 -10.653 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.219 -11.308 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.307 -9.218 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.265 -8.799 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.909 -7.514 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.176 -8.670 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.418 -6.657 0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -18.089 -7.996 1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.862 -6.875 1.306 1.00 0.00 H new ATOM 778 N HIS A 52 -14.623 -12.175 -3.908 1.00 0.00 N ATOM 779 CA HIS A 52 -13.977 -12.403 -5.232 1.00 0.00 C ATOM 780 C HIS A 52 -13.932 -11.098 -6.031 1.00 0.00 C ATOM 781 O HIS A 52 -14.965 -10.706 -6.547 1.00 0.00 O ATOM 782 CB HIS A 52 -14.867 -13.430 -5.935 1.00 0.00 C ATOM 783 CG HIS A 52 -14.840 -14.725 -5.168 1.00 0.00 C ATOM 784 ND1 HIS A 52 -15.982 -15.274 -4.606 1.00 0.00 N ATOM 785 CD2 HIS A 52 -13.819 -15.589 -4.864 1.00 0.00 C ATOM 786 CE1 HIS A 52 -15.623 -16.420 -3.997 1.00 0.00 C ATOM 787 NE2 HIS A 52 -14.315 -16.658 -4.124 1.00 0.00 N ATOM 788 OXT HIS A 52 -12.864 -10.512 -6.112 1.00 0.00 O ATOM 0 H HIS A 52 -15.640 -12.257 -3.902 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.949 -12.752 -5.135 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -15.889 -13.056 -6.003 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -14.518 -13.592 -6.955 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -12.787 -15.459 -5.155 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -16.309 -17.067 -3.470 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -13.792 -17.453 -3.757 1.00 0.00 H new TER 796 HIS A 52