USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 GLN : amide:sc= -0.579 K(o=-4.7,f=-5.7) USER MOD Set 1.2: A 58 MET CE :methyl -174:sc= -4.14! (180deg=-4.71!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 20:sc= 0.00841 USER MOD Single : A 12 SER OG : rot 180:sc= 0.103 USER MOD Single : A 13 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00563 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -153:sc= -11.1! (180deg=-14.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 70:sc= -0.332 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.147 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 140:sc= -0.544 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0158) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0171 (180deg=-0.342) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -128:sc=-0.00152 (180deg=-0.119) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 0.534 -31.954 6.505 1.00 0.00 N ATOM 61 CA ASP A 5 -0.271 -31.335 7.598 1.00 0.00 C ATOM 62 C ASP A 5 -1.506 -30.635 7.021 1.00 0.00 C ATOM 63 O ASP A 5 -1.447 -29.494 6.607 1.00 0.00 O ATOM 64 CB ASP A 5 0.665 -30.318 8.251 1.00 0.00 C ATOM 65 CG ASP A 5 1.638 -31.043 9.185 1.00 0.00 C ATOM 66 OD1 ASP A 5 1.198 -31.499 10.228 1.00 0.00 O ATOM 67 OD2 ASP A 5 2.806 -31.129 8.843 1.00 0.00 O ATOM 0 HA ASP A 5 -0.633 -32.075 8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.217 -29.773 7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.087 -29.583 8.811 1.00 0.00 H new ATOM 72 N CYS A 6 -2.623 -31.308 6.994 1.00 0.00 N ATOM 73 CA CYS A 6 -3.860 -30.679 6.448 1.00 0.00 C ATOM 74 C CYS A 6 -4.660 -30.022 7.577 1.00 0.00 C ATOM 75 O CYS A 6 -4.352 -30.183 8.740 1.00 0.00 O ATOM 76 CB CYS A 6 -4.650 -31.832 5.831 1.00 0.00 C ATOM 77 SG CYS A 6 -3.603 -32.709 4.642 1.00 0.00 S ATOM 0 H CYS A 6 -2.733 -32.266 7.326 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.641 -29.899 5.719 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.986 -32.516 6.611 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.543 -31.451 5.335 1.00 0.00 H new ATOM 82 N CYS A 7 -5.683 -29.282 7.244 1.00 0.00 N ATOM 83 CA CYS A 7 -6.492 -28.619 8.301 1.00 0.00 C ATOM 84 C CYS A 7 -7.958 -28.534 7.875 1.00 0.00 C ATOM 85 O CYS A 7 -8.271 -28.329 6.718 1.00 0.00 O ATOM 86 CB CYS A 7 -5.907 -27.216 8.422 1.00 0.00 C ATOM 87 SG CYS A 7 -5.239 -26.975 10.088 1.00 0.00 S ATOM 0 H CYS A 7 -5.991 -29.109 6.287 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.460 -29.167 9.243 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.121 -27.074 7.680 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.677 -26.472 8.217 1.00 0.00 H new ATOM 92 N THR A 8 -8.859 -28.671 8.806 1.00 0.00 N ATOM 93 CA THR A 8 -10.306 -28.577 8.464 1.00 0.00 C ATOM 94 C THR A 8 -10.820 -27.191 8.851 1.00 0.00 C ATOM 95 O THR A 8 -11.815 -26.715 8.342 1.00 0.00 O ATOM 96 CB THR A 8 -10.991 -29.665 9.293 1.00 0.00 C ATOM 97 OG1 THR A 8 -12.377 -29.693 8.978 1.00 0.00 O ATOM 98 CG2 THR A 8 -10.810 -29.371 10.782 1.00 0.00 C ATOM 0 H THR A 8 -8.656 -28.844 9.791 1.00 0.00 H new ATOM 0 HA THR A 8 -10.500 -28.715 7.400 1.00 0.00 H new ATOM 0 HB THR A 8 -10.544 -30.632 9.063 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.819 -30.390 9.506 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.300 -30.148 11.369 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.747 -29.350 11.022 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.254 -28.404 11.019 1.00 0.00 H new ATOM 106 N SER A 9 -10.126 -26.537 9.742 1.00 0.00 N ATOM 107 CA SER A 9 -10.538 -25.171 10.171 1.00 0.00 C ATOM 108 C SER A 9 -9.372 -24.206 9.949 1.00 0.00 C ATOM 109 O SER A 9 -8.376 -24.561 9.352 1.00 0.00 O ATOM 110 CB SER A 9 -10.859 -25.300 11.660 1.00 0.00 C ATOM 111 OG SER A 9 -11.818 -24.317 12.024 1.00 0.00 O ATOM 0 H SER A 9 -9.284 -26.894 10.195 1.00 0.00 H new ATOM 0 HA SER A 9 -11.393 -24.789 9.613 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.244 -26.297 11.875 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.952 -25.175 12.251 1.00 0.00 H new ATOM 0 HG SER A 9 -12.026 -24.400 12.978 1.00 0.00 H new ATOM 117 N TYR A 10 -9.477 -22.995 10.420 1.00 0.00 N ATOM 118 CA TYR A 10 -8.356 -22.030 10.220 1.00 0.00 C ATOM 119 C TYR A 10 -8.256 -21.064 11.404 1.00 0.00 C ATOM 120 O TYR A 10 -8.898 -21.241 12.421 1.00 0.00 O ATOM 121 CB TYR A 10 -8.706 -21.277 8.935 1.00 0.00 C ATOM 122 CG TYR A 10 -8.679 -22.238 7.771 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.533 -22.999 7.516 1.00 0.00 C ATOM 124 CD2 TYR A 10 -9.805 -22.373 6.950 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.512 -23.897 6.442 1.00 0.00 C ATOM 126 CE2 TYR A 10 -9.784 -23.268 5.875 1.00 0.00 C ATOM 127 CZ TYR A 10 -8.638 -24.032 5.621 1.00 0.00 C ATOM 128 OH TYR A 10 -8.619 -24.916 4.562 1.00 0.00 O ATOM 0 H TYR A 10 -10.282 -22.632 10.931 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.391 -22.533 10.149 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.693 -20.822 9.023 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.996 -20.467 8.769 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.664 -22.894 8.148 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.690 -21.786 7.147 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.628 -24.485 6.247 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.652 -23.370 5.241 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.906 -25.574 4.698 1.00 0.00 H new ATOM 138 N ILE A 11 -7.448 -20.047 11.278 1.00 0.00 N ATOM 139 CA ILE A 11 -7.295 -19.070 12.394 1.00 0.00 C ATOM 140 C ILE A 11 -8.590 -18.268 12.574 1.00 0.00 C ATOM 141 O ILE A 11 -9.515 -18.387 11.796 1.00 0.00 O ATOM 142 CB ILE A 11 -6.128 -18.152 11.990 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.595 -17.120 10.958 1.00 0.00 C ATOM 144 CG2 ILE A 11 -4.980 -18.975 11.399 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.830 -17.796 9.606 1.00 0.00 C ATOM 0 H ILE A 11 -6.886 -19.850 10.450 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.094 -19.564 13.345 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.777 -17.636 12.883 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.514 -16.643 11.299 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.847 -16.334 10.855 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.163 -18.311 11.118 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.627 -19.692 12.140 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.332 -19.510 10.517 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.162 -17.053 8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.902 -18.251 9.261 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.594 -18.566 9.712 1.00 0.00 H new ATOM 157 N SER A 12 -8.668 -17.457 13.598 1.00 0.00 N ATOM 158 CA SER A 12 -9.911 -16.661 13.822 1.00 0.00 C ATOM 159 C SER A 12 -9.740 -15.233 13.298 1.00 0.00 C ATOM 160 O SER A 12 -10.675 -14.460 13.255 1.00 0.00 O ATOM 161 CB SER A 12 -10.121 -16.654 15.338 1.00 0.00 C ATOM 162 OG SER A 12 -8.944 -17.109 15.990 1.00 0.00 O ATOM 0 H SER A 12 -7.928 -17.312 14.285 1.00 0.00 H new ATOM 0 HA SER A 12 -10.764 -17.088 13.295 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.368 -15.647 15.675 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.963 -17.294 15.600 1.00 0.00 H new ATOM 0 HG SER A 12 -9.083 -17.101 16.960 1.00 0.00 H new ATOM 168 N GLN A 13 -8.553 -14.880 12.898 1.00 0.00 N ATOM 169 CA GLN A 13 -8.320 -13.501 12.374 1.00 0.00 C ATOM 170 C GLN A 13 -7.333 -13.547 11.207 1.00 0.00 C ATOM 171 O GLN A 13 -6.957 -14.604 10.747 1.00 0.00 O ATOM 172 CB GLN A 13 -7.724 -12.723 13.548 1.00 0.00 C ATOM 173 CG GLN A 13 -6.420 -13.390 13.992 1.00 0.00 C ATOM 174 CD GLN A 13 -5.414 -12.318 14.417 1.00 0.00 C ATOM 175 OE1 GLN A 13 -5.777 -11.181 14.641 1.00 0.00 O ATOM 176 NE2 GLN A 13 -4.154 -12.636 14.538 1.00 0.00 N ATOM 0 H GLN A 13 -7.731 -15.484 12.910 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.235 -13.038 12.004 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.535 -11.690 13.255 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.432 -12.696 14.377 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.612 -14.072 14.821 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.009 -13.986 13.177 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.849 -13.591 14.350 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.475 -11.930 14.821 1.00 0.00 H new ATOM 185 N SER A 14 -6.904 -12.417 10.727 1.00 0.00 N ATOM 186 CA SER A 14 -5.934 -12.421 9.597 1.00 0.00 C ATOM 187 C SER A 14 -4.682 -13.205 9.999 1.00 0.00 C ATOM 188 O SER A 14 -4.379 -13.345 11.167 1.00 0.00 O ATOM 189 CB SER A 14 -5.595 -10.950 9.359 1.00 0.00 C ATOM 190 OG SER A 14 -5.281 -10.330 10.597 1.00 0.00 O ATOM 0 H SER A 14 -7.180 -11.495 11.064 1.00 0.00 H new ATOM 0 HA SER A 14 -6.337 -12.891 8.700 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.751 -10.867 8.674 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.438 -10.443 8.890 1.00 0.00 H new ATOM 0 HG SER A 14 -5.062 -9.387 10.444 1.00 0.00 H new ATOM 196 N ILE A 15 -3.950 -13.715 9.047 1.00 0.00 N ATOM 197 CA ILE A 15 -2.722 -14.482 9.394 1.00 0.00 C ATOM 198 C ILE A 15 -1.643 -13.519 9.905 1.00 0.00 C ATOM 199 O ILE A 15 -1.417 -12.475 9.327 1.00 0.00 O ATOM 200 CB ILE A 15 -2.285 -15.148 8.087 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.104 -16.419 7.868 1.00 0.00 C ATOM 202 CG2 ILE A 15 -0.804 -15.515 8.168 1.00 0.00 C ATOM 203 CD1 ILE A 15 -2.919 -17.350 9.067 1.00 0.00 C ATOM 0 H ILE A 15 -4.148 -13.634 8.050 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.893 -15.219 10.179 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.445 -14.457 7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.158 -16.170 7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.786 -16.918 6.953 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.495 -15.989 7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.214 -14.613 8.329 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.645 -16.205 8.996 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.502 -18.259 8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.865 -17.608 9.168 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.259 -16.848 9.973 1.00 0.00 H new ATOM 215 N PRO A 16 -1.021 -13.907 10.982 1.00 0.00 N ATOM 216 CA PRO A 16 0.037 -13.075 11.594 1.00 0.00 C ATOM 217 C PRO A 16 1.370 -13.278 10.869 1.00 0.00 C ATOM 218 O PRO A 16 2.218 -14.021 11.317 1.00 0.00 O ATOM 219 CB PRO A 16 0.123 -13.607 13.018 1.00 0.00 C ATOM 220 CG PRO A 16 -0.367 -15.022 12.944 1.00 0.00 C ATOM 221 CD PRO A 16 -1.249 -15.147 11.723 1.00 0.00 C ATOM 0 HA PRO A 16 -0.179 -12.008 11.545 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.146 -13.564 13.392 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.490 -13.014 13.697 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.473 -15.713 12.880 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.924 -15.280 13.845 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.982 -16.020 11.128 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.297 -15.258 12.000 1.00 0.00 H new ATOM 229 N CYS A 17 1.565 -12.621 9.759 1.00 0.00 N ATOM 230 CA CYS A 17 2.851 -12.779 9.017 1.00 0.00 C ATOM 231 C CYS A 17 4.014 -12.271 9.867 1.00 0.00 C ATOM 232 O CYS A 17 5.144 -12.688 9.708 1.00 0.00 O ATOM 233 CB CYS A 17 2.700 -11.929 7.760 1.00 0.00 C ATOM 234 SG CYS A 17 2.871 -12.986 6.301 1.00 0.00 S ATOM 0 H CYS A 17 0.893 -11.983 9.333 1.00 0.00 H new ATOM 0 HA CYS A 17 3.059 -13.822 8.777 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.728 -11.436 7.755 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.456 -11.143 7.745 1.00 0.00 H new ATOM 239 N SER A 18 3.745 -11.374 10.775 1.00 0.00 N ATOM 240 CA SER A 18 4.833 -10.836 11.643 1.00 0.00 C ATOM 241 C SER A 18 5.345 -11.922 12.598 1.00 0.00 C ATOM 242 O SER A 18 6.245 -11.695 13.384 1.00 0.00 O ATOM 243 CB SER A 18 4.188 -9.692 12.423 1.00 0.00 C ATOM 244 OG SER A 18 4.783 -8.462 12.035 1.00 0.00 O ATOM 0 H SER A 18 2.818 -10.989 10.954 1.00 0.00 H new ATOM 0 HA SER A 18 5.693 -10.500 11.063 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.115 -9.666 12.232 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.317 -9.849 13.494 1.00 0.00 H new ATOM 0 HG SER A 18 4.369 -7.727 12.533 1.00 0.00 H new ATOM 250 N LEU A 19 4.783 -13.097 12.535 1.00 0.00 N ATOM 251 CA LEU A 19 5.237 -14.195 13.432 1.00 0.00 C ATOM 252 C LEU A 19 5.461 -15.474 12.619 1.00 0.00 C ATOM 253 O LEU A 19 5.317 -16.573 13.118 1.00 0.00 O ATOM 254 CB LEU A 19 4.095 -14.390 14.431 1.00 0.00 C ATOM 255 CG LEU A 19 4.445 -13.705 15.754 1.00 0.00 C ATOM 256 CD1 LEU A 19 5.814 -14.189 16.237 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.481 -12.189 15.550 1.00 0.00 C ATOM 0 H LEU A 19 4.026 -13.344 11.898 1.00 0.00 H new ATOM 0 HA LEU A 19 6.178 -13.961 13.931 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.171 -13.974 14.028 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.921 -15.453 14.596 1.00 0.00 H new ATOM 0 HG LEU A 19 3.691 -13.953 16.501 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.061 -13.700 17.179 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.787 -15.269 16.385 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.570 -13.944 15.492 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.730 -11.701 16.492 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.234 -11.940 14.802 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.504 -11.844 15.210 1.00 0.00 H new ATOM 269 N MET A 20 5.821 -15.339 11.369 1.00 0.00 N ATOM 270 CA MET A 20 6.063 -16.549 10.525 1.00 0.00 C ATOM 271 C MET A 20 7.220 -16.286 9.559 1.00 0.00 C ATOM 272 O MET A 20 7.379 -15.197 9.044 1.00 0.00 O ATOM 273 CB MET A 20 4.777 -16.819 9.719 1.00 0.00 C ATOM 274 CG MET A 20 3.574 -16.051 10.281 1.00 0.00 C ATOM 275 SD MET A 20 2.955 -16.885 11.764 1.00 0.00 S ATOM 276 CE MET A 20 1.272 -17.193 11.171 1.00 0.00 C ATOM 0 H MET A 20 5.958 -14.446 10.896 1.00 0.00 H new ATOM 0 HA MET A 20 6.318 -17.404 11.151 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.935 -16.534 8.679 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.561 -17.887 9.728 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.864 -15.028 10.522 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.786 -15.991 9.530 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.591 -17.249 12.021 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.964 -16.381 10.512 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.246 -18.135 10.623 1.00 0.00 H new ATOM 286 N LYS A 21 8.030 -17.277 9.312 1.00 0.00 N ATOM 287 CA LYS A 21 9.176 -17.089 8.379 1.00 0.00 C ATOM 288 C LYS A 21 8.800 -17.544 6.964 1.00 0.00 C ATOM 289 O LYS A 21 9.320 -17.041 5.987 1.00 0.00 O ATOM 290 CB LYS A 21 10.298 -17.959 8.948 1.00 0.00 C ATOM 291 CG LYS A 21 9.980 -19.437 8.704 1.00 0.00 C ATOM 292 CD LYS A 21 11.219 -20.280 9.010 1.00 0.00 C ATOM 293 CE LYS A 21 11.940 -20.622 7.705 1.00 0.00 C ATOM 294 NZ LYS A 21 11.868 -22.107 7.606 1.00 0.00 N ATOM 0 H LYS A 21 7.948 -18.210 9.716 1.00 0.00 H new ATOM 0 HA LYS A 21 9.472 -16.043 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.247 -17.699 8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.410 -17.773 10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.148 -19.750 9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.670 -19.588 7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.888 -19.734 9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.931 -21.194 9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.459 -20.145 6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.974 -20.277 7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.342 -22.420 6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.340 -22.533 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.872 -22.406 7.585 1.00 0.00 H new ATOM 308 N SER A 22 7.908 -18.493 6.839 1.00 0.00 N ATOM 309 CA SER A 22 7.521 -18.964 5.475 1.00 0.00 C ATOM 310 C SER A 22 6.096 -19.524 5.480 1.00 0.00 C ATOM 311 O SER A 22 5.401 -19.470 6.471 1.00 0.00 O ATOM 312 CB SER A 22 8.530 -20.064 5.140 1.00 0.00 C ATOM 313 OG SER A 22 8.752 -20.100 3.735 1.00 0.00 O ATOM 0 H SER A 22 7.435 -18.958 7.614 1.00 0.00 H new ATOM 0 HA SER A 22 7.534 -18.156 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.469 -19.880 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.158 -21.029 5.484 1.00 0.00 H new ATOM 0 HG SER A 22 9.400 -20.804 3.524 1.00 0.00 H new ATOM 319 N TYR A 23 5.658 -20.059 4.371 1.00 0.00 N ATOM 320 CA TYR A 23 4.280 -20.630 4.298 1.00 0.00 C ATOM 321 C TYR A 23 4.254 -21.782 3.284 1.00 0.00 C ATOM 322 O TYR A 23 5.075 -21.841 2.389 1.00 0.00 O ATOM 323 CB TYR A 23 3.399 -19.471 3.830 1.00 0.00 C ATOM 324 CG TYR A 23 3.692 -19.173 2.380 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.155 -19.984 1.374 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.503 -18.084 2.041 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.431 -19.708 0.030 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.781 -17.808 0.697 1.00 0.00 C ATOM 329 CZ TYR A 23 4.244 -18.620 -0.309 1.00 0.00 C ATOM 330 OH TYR A 23 4.518 -18.350 -1.635 1.00 0.00 O ATOM 0 H TYR A 23 6.198 -20.126 3.508 1.00 0.00 H new ATOM 0 HA TYR A 23 3.938 -21.035 5.251 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.347 -19.726 3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.587 -18.587 4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.527 -20.823 1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.915 -17.456 2.817 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.017 -20.335 -0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.409 -16.969 0.436 1.00 0.00 H new ATOM 0 HH TYR A 23 5.096 -17.561 -1.696 1.00 0.00 H new ATOM 340 N PHE A 24 3.324 -22.696 3.401 1.00 0.00 N ATOM 341 CA PHE A 24 3.279 -23.824 2.423 1.00 0.00 C ATOM 342 C PHE A 24 1.843 -24.318 2.223 1.00 0.00 C ATOM 343 O PHE A 24 1.041 -24.316 3.135 1.00 0.00 O ATOM 344 CB PHE A 24 4.160 -24.924 3.031 1.00 0.00 C ATOM 345 CG PHE A 24 3.393 -25.697 4.082 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.418 -26.632 3.701 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.664 -25.485 5.440 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.719 -27.351 4.678 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.963 -26.205 6.415 1.00 0.00 C ATOM 350 CZ PHE A 24 1.991 -27.138 6.035 1.00 0.00 C ATOM 0 H PHE A 24 2.603 -22.711 4.122 1.00 0.00 H new ATOM 0 HA PHE A 24 3.636 -23.520 1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.498 -25.602 2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.051 -24.480 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.207 -26.797 2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.414 -24.766 5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.969 -28.071 4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.172 -26.040 7.462 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.451 -27.693 6.788 1.00 0.00 H new ATOM 360 N GLU A 25 1.521 -24.750 1.033 1.00 0.00 N ATOM 361 CA GLU A 25 0.144 -25.256 0.769 1.00 0.00 C ATOM 362 C GLU A 25 0.091 -26.763 1.025 1.00 0.00 C ATOM 363 O GLU A 25 1.050 -27.474 0.793 1.00 0.00 O ATOM 364 CB GLU A 25 -0.116 -24.949 -0.707 1.00 0.00 C ATOM 365 CG GLU A 25 0.874 -25.732 -1.573 1.00 0.00 C ATOM 366 CD GLU A 25 0.136 -26.861 -2.297 1.00 0.00 C ATOM 367 OE1 GLU A 25 -1.075 -26.775 -2.409 1.00 0.00 O ATOM 368 OE2 GLU A 25 0.796 -27.792 -2.728 1.00 0.00 O ATOM 0 H GLU A 25 2.153 -24.774 0.233 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.603 -24.793 1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.139 -25.218 -0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.010 -23.880 -0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.345 -25.067 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.671 -26.143 -0.953 1.00 0.00 H new ATOM 375 N THR A 26 -1.015 -27.260 1.504 1.00 0.00 N ATOM 376 CA THR A 26 -1.112 -28.722 1.773 1.00 0.00 C ATOM 377 C THR A 26 -1.135 -29.504 0.457 1.00 0.00 C ATOM 378 O THR A 26 -0.981 -28.944 -0.611 1.00 0.00 O ATOM 379 CB THR A 26 -2.431 -28.905 2.527 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.467 -28.225 1.835 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.300 -28.335 3.940 1.00 0.00 C ATOM 0 H THR A 26 -1.853 -26.720 1.720 1.00 0.00 H new ATOM 0 HA THR A 26 -0.261 -29.090 2.347 1.00 0.00 H new ATOM 0 HB THR A 26 -2.669 -29.967 2.589 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.661 -28.692 0.995 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.241 -28.467 4.474 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.505 -28.858 4.471 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.061 -27.273 3.883 1.00 0.00 H new ATOM 389 N SER A 27 -1.324 -30.793 0.525 1.00 0.00 N ATOM 390 CA SER A 27 -1.357 -31.610 -0.724 1.00 0.00 C ATOM 391 C SER A 27 -2.803 -31.835 -1.173 1.00 0.00 C ATOM 392 O SER A 27 -3.701 -31.969 -0.366 1.00 0.00 O ATOM 393 CB SER A 27 -0.698 -32.936 -0.344 1.00 0.00 C ATOM 394 OG SER A 27 0.564 -32.683 0.254 1.00 0.00 O ATOM 0 H SER A 27 -1.457 -31.317 1.390 1.00 0.00 H new ATOM 0 HA SER A 27 -0.843 -31.122 -1.552 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.336 -33.487 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.574 -33.560 -1.229 1.00 0.00 H new ATOM 0 HG SER A 27 0.986 -33.533 0.499 1.00 0.00 H new ATOM 400 N SER A 28 -3.035 -31.878 -2.459 1.00 0.00 N ATOM 401 CA SER A 28 -4.423 -32.094 -2.962 1.00 0.00 C ATOM 402 C SER A 28 -4.897 -33.511 -2.633 1.00 0.00 C ATOM 403 O SER A 28 -6.039 -33.862 -2.853 1.00 0.00 O ATOM 404 CB SER A 28 -4.328 -31.897 -4.476 1.00 0.00 C ATOM 405 OG SER A 28 -4.429 -30.514 -4.780 1.00 0.00 O ATOM 0 H SER A 28 -2.323 -31.773 -3.182 1.00 0.00 H new ATOM 0 HA SER A 28 -5.138 -31.411 -2.504 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.383 -32.294 -4.847 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.124 -32.449 -4.976 1.00 0.00 H new ATOM 0 HG SER A 28 -4.366 -30.387 -5.750 1.00 0.00 H new ATOM 411 N GLU A 29 -4.027 -34.326 -2.108 1.00 0.00 N ATOM 412 CA GLU A 29 -4.425 -35.723 -1.763 1.00 0.00 C ATOM 413 C GLU A 29 -5.303 -35.727 -0.508 1.00 0.00 C ATOM 414 O GLU A 29 -6.066 -36.644 -0.276 1.00 0.00 O ATOM 415 CB GLU A 29 -3.110 -36.459 -1.502 1.00 0.00 C ATOM 416 CG GLU A 29 -3.303 -37.955 -1.762 1.00 0.00 C ATOM 417 CD GLU A 29 -2.516 -38.759 -0.725 1.00 0.00 C ATOM 418 OE1 GLU A 29 -2.626 -38.443 0.449 1.00 0.00 O ATOM 419 OE2 GLU A 29 -1.818 -39.677 -1.121 1.00 0.00 O ATOM 0 H GLU A 29 -3.057 -34.088 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.004 -36.196 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.326 -36.065 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.788 -36.296 -0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.361 -38.211 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.964 -38.207 -2.767 1.00 0.00 H new ATOM 426 N CYS A 30 -5.200 -34.710 0.304 1.00 0.00 N ATOM 427 CA CYS A 30 -6.027 -34.657 1.543 1.00 0.00 C ATOM 428 C CYS A 30 -7.489 -34.358 1.197 1.00 0.00 C ATOM 429 O CYS A 30 -7.786 -33.746 0.190 1.00 0.00 O ATOM 430 CB CYS A 30 -5.428 -33.520 2.372 1.00 0.00 C ATOM 431 SG CYS A 30 -4.786 -34.183 3.930 1.00 0.00 S ATOM 0 H CYS A 30 -4.579 -33.913 0.163 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.019 -35.604 2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.628 -33.032 1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.186 -32.763 2.572 1.00 0.00 H new ATOM 436 N SER A 31 -8.401 -34.788 2.025 1.00 0.00 N ATOM 437 CA SER A 31 -9.845 -34.529 1.744 1.00 0.00 C ATOM 438 C SER A 31 -10.112 -33.028 1.677 1.00 0.00 C ATOM 439 O SER A 31 -11.087 -32.579 1.106 1.00 0.00 O ATOM 440 CB SER A 31 -10.610 -35.149 2.915 1.00 0.00 C ATOM 441 OG SER A 31 -9.771 -35.220 4.058 1.00 0.00 O ATOM 0 H SER A 31 -8.211 -35.307 2.883 1.00 0.00 H new ATOM 0 HA SER A 31 -10.152 -34.954 0.788 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.495 -34.553 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.958 -36.146 2.646 1.00 0.00 H new ATOM 0 HG SER A 31 -10.268 -35.616 4.804 1.00 0.00 H new ATOM 447 N LYS A 32 -9.251 -32.254 2.258 1.00 0.00 N ATOM 448 CA LYS A 32 -9.439 -30.774 2.242 1.00 0.00 C ATOM 449 C LYS A 32 -8.080 -30.067 2.228 1.00 0.00 C ATOM 450 O LYS A 32 -7.177 -30.440 2.951 1.00 0.00 O ATOM 451 CB LYS A 32 -10.197 -30.456 3.532 1.00 0.00 C ATOM 452 CG LYS A 32 -11.698 -30.399 3.240 1.00 0.00 C ATOM 453 CD LYS A 32 -12.286 -29.112 3.822 1.00 0.00 C ATOM 454 CE LYS A 32 -13.785 -29.299 4.066 1.00 0.00 C ATOM 455 NZ LYS A 32 -14.246 -27.999 4.632 1.00 0.00 N ATOM 0 H LYS A 32 -8.417 -32.578 2.748 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.980 -30.437 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.991 -31.217 4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.859 -29.504 3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.871 -30.436 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.196 -31.267 3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.784 -28.860 4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.119 -28.281 3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.310 -29.535 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.973 -30.120 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.266 -28.047 4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.734 -27.804 5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.060 -27.237 3.949 1.00 0.00 H new ATOM 469 N PRO A 33 -7.983 -29.065 1.394 1.00 0.00 N ATOM 470 CA PRO A 33 -6.723 -28.290 1.271 1.00 0.00 C ATOM 471 C PRO A 33 -6.527 -27.378 2.486 1.00 0.00 C ATOM 472 O PRO A 33 -7.251 -27.456 3.459 1.00 0.00 O ATOM 473 CB PRO A 33 -6.933 -27.464 0.006 1.00 0.00 C ATOM 474 CG PRO A 33 -8.418 -27.342 -0.137 1.00 0.00 C ATOM 475 CD PRO A 33 -9.032 -28.564 0.496 1.00 0.00 C ATOM 0 HA PRO A 33 -5.838 -28.924 1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.463 -26.484 0.092 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.492 -27.953 -0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.778 -26.435 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.698 -27.272 -1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.941 -28.316 1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.304 -29.307 -0.253 1.00 0.00 H new ATOM 483 N GLY A 34 -5.552 -26.510 2.433 1.00 0.00 N ATOM 484 CA GLY A 34 -5.305 -25.591 3.577 1.00 0.00 C ATOM 485 C GLY A 34 -3.871 -25.058 3.505 1.00 0.00 C ATOM 486 O GLY A 34 -2.947 -25.778 3.187 1.00 0.00 O ATOM 0 H GLY A 34 -4.915 -26.399 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.014 -24.763 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.462 -26.116 4.519 1.00 0.00 H new ATOM 490 N VAL A 35 -3.677 -23.801 3.805 1.00 0.00 N ATOM 491 CA VAL A 35 -2.302 -23.224 3.759 1.00 0.00 C ATOM 492 C VAL A 35 -1.789 -22.999 5.181 1.00 0.00 C ATOM 493 O VAL A 35 -2.386 -22.283 5.957 1.00 0.00 O ATOM 494 CB VAL A 35 -2.451 -21.893 3.022 1.00 0.00 C ATOM 495 CG1 VAL A 35 -1.209 -21.032 3.265 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.600 -22.156 1.522 1.00 0.00 C ATOM 0 H VAL A 35 -4.412 -23.149 4.080 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.590 -23.881 3.260 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.334 -21.371 3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.316 -20.083 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.099 -20.845 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.326 -21.554 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.706 -21.208 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.717 -22.678 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.483 -22.770 1.346 1.00 0.00 H new ATOM 506 N ILE A 36 -0.693 -23.610 5.533 1.00 0.00 N ATOM 507 CA ILE A 36 -0.163 -23.429 6.912 1.00 0.00 C ATOM 508 C ILE A 36 1.127 -22.609 6.887 1.00 0.00 C ATOM 509 O ILE A 36 2.014 -22.852 6.094 1.00 0.00 O ATOM 510 CB ILE A 36 0.101 -24.850 7.418 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.213 -25.473 7.895 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.096 -24.812 8.582 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.919 -26.773 8.647 1.00 0.00 C ATOM 0 H ILE A 36 -0.144 -24.223 4.930 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.857 -22.889 7.556 1.00 0.00 H new ATOM 0 HB ILE A 36 0.518 -25.447 6.607 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.743 -24.777 8.545 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.863 -25.672 7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.279 -25.826 8.937 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.034 -24.371 8.245 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.684 -24.212 9.394 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.855 -27.217 8.987 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.407 -27.470 7.983 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.285 -26.560 9.508 1.00 0.00 H new ATOM 525 N PHE A 37 1.244 -21.648 7.760 1.00 0.00 N ATOM 526 CA PHE A 37 2.486 -20.825 7.792 1.00 0.00 C ATOM 527 C PHE A 37 3.472 -21.424 8.801 1.00 0.00 C ATOM 528 O PHE A 37 3.093 -21.855 9.871 1.00 0.00 O ATOM 529 CB PHE A 37 2.039 -19.430 8.237 1.00 0.00 C ATOM 530 CG PHE A 37 1.196 -18.786 7.156 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.131 -19.193 6.969 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.738 -17.778 6.345 1.00 0.00 C ATOM 533 CE1 PHE A 37 -0.915 -18.594 5.974 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.954 -17.181 5.351 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.371 -17.587 5.166 1.00 0.00 C ATOM 0 H PHE A 37 0.537 -21.397 8.451 1.00 0.00 H new ATOM 0 HA PHE A 37 2.988 -20.792 6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.467 -19.500 9.162 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.910 -18.810 8.448 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.550 -19.969 7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.761 -17.462 6.488 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.938 -18.908 5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.373 -16.406 4.726 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.975 -17.124 4.400 1.00 0.00 H new ATOM 545 N LEU A 38 4.733 -21.461 8.467 1.00 0.00 N ATOM 546 CA LEU A 38 5.737 -22.038 9.405 1.00 0.00 C ATOM 547 C LEU A 38 6.411 -20.922 10.202 1.00 0.00 C ATOM 548 O LEU A 38 7.026 -20.032 9.645 1.00 0.00 O ATOM 549 CB LEU A 38 6.754 -22.743 8.507 1.00 0.00 C ATOM 550 CG LEU A 38 6.532 -24.254 8.571 1.00 0.00 C ATOM 551 CD1 LEU A 38 7.256 -24.925 7.403 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.082 -24.793 9.891 1.00 0.00 C ATOM 0 H LEU A 38 5.111 -21.116 7.585 1.00 0.00 H new ATOM 0 HA LEU A 38 5.288 -22.720 10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.652 -22.393 7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.767 -22.500 8.827 1.00 0.00 H new ATOM 0 HG LEU A 38 5.465 -24.469 8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.098 -26.003 7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.863 -24.540 6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.323 -24.712 7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.924 -25.871 9.938 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.149 -24.579 9.955 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.566 -24.314 10.723 1.00 0.00 H new ATOM 564 N THR A 39 6.293 -20.962 11.502 1.00 0.00 N ATOM 565 CA THR A 39 6.918 -19.903 12.348 1.00 0.00 C ATOM 566 C THR A 39 8.293 -20.360 12.835 1.00 0.00 C ATOM 567 O THR A 39 8.492 -21.507 13.183 1.00 0.00 O ATOM 568 CB THR A 39 5.970 -19.718 13.540 1.00 0.00 C ATOM 569 OG1 THR A 39 6.244 -20.712 14.516 1.00 0.00 O ATOM 570 CG2 THR A 39 4.515 -19.840 13.081 1.00 0.00 C ATOM 0 H THR A 39 5.789 -21.684 12.017 1.00 0.00 H new ATOM 0 HA THR A 39 7.061 -18.975 11.795 1.00 0.00 H new ATOM 0 HB THR A 39 6.124 -18.728 13.968 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.192 -20.315 15.411 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.852 -19.707 13.936 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.303 -19.074 12.335 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.352 -20.826 12.645 1.00 0.00 H new ATOM 578 N LYS A 40 9.244 -19.469 12.863 1.00 0.00 N ATOM 579 CA LYS A 40 10.606 -19.850 13.331 1.00 0.00 C ATOM 580 C LYS A 40 10.569 -20.215 14.817 1.00 0.00 C ATOM 581 O LYS A 40 11.422 -20.922 15.315 1.00 0.00 O ATOM 582 CB LYS A 40 11.462 -18.606 13.104 1.00 0.00 C ATOM 583 CG LYS A 40 12.941 -18.968 13.259 1.00 0.00 C ATOM 584 CD LYS A 40 13.740 -18.338 12.116 1.00 0.00 C ATOM 585 CE LYS A 40 15.112 -17.904 12.634 1.00 0.00 C ATOM 586 NZ LYS A 40 15.499 -16.752 11.769 1.00 0.00 N ATOM 0 H LYS A 40 9.138 -18.494 12.582 1.00 0.00 H new ATOM 0 HA LYS A 40 11.000 -20.717 12.801 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.278 -18.202 12.109 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.190 -17.829 13.819 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.315 -18.612 14.219 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.065 -20.051 13.250 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.856 -19.053 11.302 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.203 -17.479 11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.065 -17.612 13.683 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.837 -18.715 12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.431 -16.396 12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.542 -17.062 10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.794 -15.994 11.865 1.00 0.00 H new ATOM 600 N LYS A 41 9.587 -19.735 15.531 1.00 0.00 N ATOM 601 CA LYS A 41 9.496 -20.052 16.984 1.00 0.00 C ATOM 602 C LYS A 41 9.117 -21.522 17.186 1.00 0.00 C ATOM 603 O LYS A 41 9.059 -22.013 18.295 1.00 0.00 O ATOM 604 CB LYS A 41 8.399 -19.135 17.522 1.00 0.00 C ATOM 605 CG LYS A 41 9.031 -18.041 18.383 1.00 0.00 C ATOM 606 CD LYS A 41 8.245 -17.905 19.688 1.00 0.00 C ATOM 607 CE LYS A 41 9.156 -18.240 20.869 1.00 0.00 C ATOM 608 NZ LYS A 41 9.988 -17.019 21.070 1.00 0.00 N ATOM 0 H LYS A 41 8.844 -19.137 15.170 1.00 0.00 H new ATOM 0 HA LYS A 41 10.444 -19.898 17.499 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.845 -18.689 16.696 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.685 -19.710 18.111 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.072 -18.286 18.596 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.030 -17.093 17.845 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.859 -16.890 19.789 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.384 -18.574 19.678 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.576 -18.474 21.762 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.777 -19.110 20.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.986 -17.292 21.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.885 -16.390 20.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.674 -16.522 21.928 1.00 0.00 H new ATOM 622 N GLY A 42 8.858 -22.226 16.121 1.00 0.00 N ATOM 623 CA GLY A 42 8.484 -23.662 16.250 1.00 0.00 C ATOM 624 C GLY A 42 6.964 -23.789 16.384 1.00 0.00 C ATOM 625 O GLY A 42 6.461 -24.379 17.320 1.00 0.00 O ATOM 0 H GLY A 42 8.889 -21.869 15.166 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.830 -24.218 15.378 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.973 -24.098 17.121 1.00 0.00 H new ATOM 629 N ARG A 43 6.228 -23.246 15.453 1.00 0.00 N ATOM 630 CA ARG A 43 4.741 -23.343 15.525 1.00 0.00 C ATOM 631 C ARG A 43 4.151 -23.348 14.114 1.00 0.00 C ATOM 632 O ARG A 43 4.849 -23.154 13.140 1.00 0.00 O ATOM 633 CB ARG A 43 4.295 -22.098 16.293 1.00 0.00 C ATOM 634 CG ARG A 43 2.964 -22.384 16.991 1.00 0.00 C ATOM 635 CD ARG A 43 3.198 -22.516 18.498 1.00 0.00 C ATOM 636 NE ARG A 43 3.327 -21.115 18.988 1.00 0.00 N ATOM 637 CZ ARG A 43 3.554 -20.883 20.252 1.00 0.00 C ATOM 638 NH1 ARG A 43 4.604 -21.394 20.832 1.00 0.00 N ATOM 639 NH2 ARG A 43 2.730 -20.137 20.936 1.00 0.00 N ATOM 0 H ARG A 43 6.591 -22.739 14.646 1.00 0.00 H new ATOM 0 HA ARG A 43 4.407 -24.258 16.015 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.051 -21.819 17.027 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.187 -21.255 15.611 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.256 -21.580 16.791 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.525 -23.301 16.598 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.368 -23.030 18.983 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.098 -23.093 18.709 1.00 0.00 H new ATOM 0 HE ARG A 43 3.238 -20.337 18.335 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.249 -21.976 20.298 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.780 -21.212 21.820 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.909 -19.736 20.483 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.907 -19.955 21.924 1.00 0.00 H new ATOM 653 N GLN A 44 2.871 -23.574 13.992 1.00 0.00 N ATOM 654 CA GLN A 44 2.251 -23.597 12.635 1.00 0.00 C ATOM 655 C GLN A 44 0.831 -23.027 12.683 1.00 0.00 C ATOM 656 O GLN A 44 0.054 -23.339 13.563 1.00 0.00 O ATOM 657 CB GLN A 44 2.211 -25.074 12.234 1.00 0.00 C ATOM 658 CG GLN A 44 3.505 -25.768 12.668 1.00 0.00 C ATOM 659 CD GLN A 44 3.717 -27.026 11.823 1.00 0.00 C ATOM 660 OE1 GLN A 44 3.502 -28.128 12.288 1.00 0.00 O ATOM 661 NE2 GLN A 44 4.134 -26.908 10.592 1.00 0.00 N ATOM 0 H GLN A 44 2.231 -23.743 14.768 1.00 0.00 H new ATOM 0 HA GLN A 44 2.815 -22.993 11.924 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.353 -25.562 12.697 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.085 -25.163 11.155 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.351 -25.091 12.550 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.453 -26.031 13.724 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.315 -25.983 10.201 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.279 -27.740 10.021 1.00 0.00 H new ATOM 670 N VAL A 45 0.485 -22.206 11.731 1.00 0.00 N ATOM 671 CA VAL A 45 -0.888 -21.625 11.705 1.00 0.00 C ATOM 672 C VAL A 45 -1.683 -22.253 10.559 1.00 0.00 C ATOM 673 O VAL A 45 -1.118 -22.709 9.584 1.00 0.00 O ATOM 674 CB VAL A 45 -0.688 -20.126 11.468 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.000 -19.505 10.979 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.263 -19.453 12.774 1.00 0.00 C ATOM 0 H VAL A 45 1.094 -21.911 10.968 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.440 -21.811 12.626 1.00 0.00 H new ATOM 0 HB VAL A 45 0.087 -19.980 10.715 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.857 -18.438 10.811 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.303 -19.982 10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.775 -19.653 11.731 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.121 -18.386 12.604 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.036 -19.601 13.528 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.672 -19.892 13.122 1.00 0.00 H new ATOM 686 N CYS A 46 -2.983 -22.279 10.662 1.00 0.00 N ATOM 687 CA CYS A 46 -3.801 -22.882 9.569 1.00 0.00 C ATOM 688 C CYS A 46 -4.763 -21.840 9.001 1.00 0.00 C ATOM 689 O CYS A 46 -5.547 -21.256 9.717 1.00 0.00 O ATOM 690 CB CYS A 46 -4.578 -24.023 10.231 1.00 0.00 C ATOM 691 SG CYS A 46 -3.778 -25.600 9.845 1.00 0.00 S ATOM 0 H CYS A 46 -3.514 -21.911 11.451 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.186 -23.238 8.742 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.613 -23.875 11.310 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.609 -24.029 9.876 1.00 0.00 H new ATOM 696 N ALA A 47 -4.708 -21.600 7.721 1.00 0.00 N ATOM 697 CA ALA A 47 -5.624 -20.592 7.118 1.00 0.00 C ATOM 698 C ALA A 47 -6.258 -21.139 5.839 1.00 0.00 C ATOM 699 O ALA A 47 -5.734 -22.033 5.204 1.00 0.00 O ATOM 700 CB ALA A 47 -4.738 -19.390 6.799 1.00 0.00 C ATOM 0 H ALA A 47 -4.071 -22.056 7.068 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.442 -20.333 7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.342 -18.602 6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.283 -19.020 7.717 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.956 -19.689 6.101 1.00 0.00 H new ATOM 706 N LYS A 48 -7.383 -20.604 5.456 1.00 0.00 N ATOM 707 CA LYS A 48 -8.056 -21.085 4.216 1.00 0.00 C ATOM 708 C LYS A 48 -7.101 -20.991 3.024 1.00 0.00 C ATOM 709 O LYS A 48 -5.974 -20.557 3.164 1.00 0.00 O ATOM 710 CB LYS A 48 -9.250 -20.147 4.028 1.00 0.00 C ATOM 711 CG LYS A 48 -10.547 -20.941 4.190 1.00 0.00 C ATOM 712 CD LYS A 48 -11.706 -20.168 3.560 1.00 0.00 C ATOM 713 CE LYS A 48 -12.137 -19.038 4.498 1.00 0.00 C ATOM 714 NZ LYS A 48 -11.886 -17.787 3.728 1.00 0.00 N ATOM 0 H LYS A 48 -7.867 -19.853 5.948 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.365 -22.128 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.211 -19.339 4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.213 -19.686 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.448 -21.918 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.747 -21.118 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.403 -19.759 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.545 -20.839 3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.188 -19.130 4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.564 -19.053 5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.860 -16.977 4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.975 -17.862 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.648 -17.648 3.034 1.00 0.00 H new ATOM 728 N PRO A 49 -7.586 -21.404 1.885 1.00 0.00 N ATOM 729 CA PRO A 49 -6.767 -21.369 0.648 1.00 0.00 C ATOM 730 C PRO A 49 -6.574 -19.924 0.183 1.00 0.00 C ATOM 731 O PRO A 49 -5.487 -19.517 -0.180 1.00 0.00 O ATOM 732 CB PRO A 49 -7.602 -22.160 -0.356 1.00 0.00 C ATOM 733 CG PRO A 49 -9.008 -22.046 0.142 1.00 0.00 C ATOM 734 CD PRO A 49 -8.933 -21.935 1.643 1.00 0.00 C ATOM 0 HA PRO A 49 -5.767 -21.783 0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.504 -21.751 -1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.282 -23.201 -0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.500 -21.172 -0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.594 -22.917 -0.152 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.702 -21.269 2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.074 -22.903 2.124 1.00 0.00 H new ATOM 742 N SER A 50 -7.621 -19.146 0.193 1.00 0.00 N ATOM 743 CA SER A 50 -7.501 -17.726 -0.244 1.00 0.00 C ATOM 744 C SER A 50 -8.061 -16.798 0.836 1.00 0.00 C ATOM 745 O SER A 50 -8.678 -15.793 0.548 1.00 0.00 O ATOM 746 CB SER A 50 -8.336 -17.635 -1.521 1.00 0.00 C ATOM 747 OG SER A 50 -7.501 -17.859 -2.647 1.00 0.00 O ATOM 0 H SER A 50 -8.555 -19.432 0.485 1.00 0.00 H new ATOM 0 HA SER A 50 -6.467 -17.427 -0.414 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.139 -18.372 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.806 -16.654 -1.592 1.00 0.00 H new ATOM 0 HG SER A 50 -8.035 -17.803 -3.467 1.00 0.00 H new ATOM 753 N GLY A 51 -7.850 -17.132 2.081 1.00 0.00 N ATOM 754 CA GLY A 51 -8.368 -16.273 3.181 1.00 0.00 C ATOM 755 C GLY A 51 -8.038 -14.810 2.883 1.00 0.00 C ATOM 756 O GLY A 51 -7.070 -14.516 2.210 1.00 0.00 O ATOM 0 H GLY A 51 -7.341 -17.963 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.446 -16.401 3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.923 -16.571 4.130 1.00 0.00 H new ATOM 760 N PRO A 52 -8.860 -13.938 3.399 1.00 0.00 N ATOM 761 CA PRO A 52 -8.659 -12.483 3.189 1.00 0.00 C ATOM 762 C PRO A 52 -7.428 -12.001 3.957 1.00 0.00 C ATOM 763 O PRO A 52 -7.529 -11.476 5.048 1.00 0.00 O ATOM 764 CB PRO A 52 -9.934 -11.860 3.750 1.00 0.00 C ATOM 765 CG PRO A 52 -10.446 -12.860 4.737 1.00 0.00 C ATOM 766 CD PRO A 52 -10.040 -14.218 4.225 1.00 0.00 C ATOM 0 HA PRO A 52 -8.488 -12.218 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.729 -10.902 4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.663 -11.673 2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.026 -12.678 5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.530 -12.790 4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.805 -14.900 5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.836 -14.681 3.642 1.00 0.00 H new ATOM 774 N GLY A 53 -6.266 -12.181 3.395 1.00 0.00 N ATOM 775 CA GLY A 53 -5.026 -11.740 4.089 1.00 0.00 C ATOM 776 C GLY A 53 -4.006 -12.879 4.073 1.00 0.00 C ATOM 777 O GLY A 53 -2.819 -12.661 4.195 1.00 0.00 O ATOM 0 H GLY A 53 -6.122 -12.615 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.613 -10.860 3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.252 -11.454 5.116 1.00 0.00 H new ATOM 781 N VAL A 54 -4.462 -14.094 3.924 1.00 0.00 N ATOM 782 CA VAL A 54 -3.518 -15.250 3.896 1.00 0.00 C ATOM 783 C VAL A 54 -2.603 -15.156 2.675 1.00 0.00 C ATOM 784 O VAL A 54 -1.408 -15.353 2.769 1.00 0.00 O ATOM 785 CB VAL A 54 -4.415 -16.490 3.818 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.610 -17.684 3.299 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.963 -16.812 5.210 1.00 0.00 C ATOM 0 H VAL A 54 -5.447 -14.336 3.820 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.867 -15.278 4.770 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.242 -16.291 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.254 -18.562 3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.223 -17.458 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.779 -17.884 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.601 -17.694 5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.135 -17.006 5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.544 -15.966 5.577 1.00 0.00 H new ATOM 797 N GLN A 55 -3.149 -14.855 1.531 1.00 0.00 N ATOM 798 CA GLN A 55 -2.296 -14.750 0.314 1.00 0.00 C ATOM 799 C GLN A 55 -1.365 -13.551 0.456 1.00 0.00 C ATOM 800 O GLN A 55 -0.214 -13.596 0.068 1.00 0.00 O ATOM 801 CB GLN A 55 -3.271 -14.544 -0.846 1.00 0.00 C ATOM 802 CG GLN A 55 -3.337 -15.816 -1.695 1.00 0.00 C ATOM 803 CD GLN A 55 -1.926 -16.215 -2.132 1.00 0.00 C ATOM 804 OE1 GLN A 55 -1.112 -15.369 -2.446 1.00 0.00 O ATOM 805 NE2 GLN A 55 -1.601 -17.478 -2.166 1.00 0.00 N ATOM 0 H GLN A 55 -4.143 -14.678 1.385 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.675 -15.632 0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.261 -14.299 -0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.950 -13.702 -1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.794 -16.624 -1.123 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.966 -15.649 -2.569 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.284 -18.188 -1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.663 -17.756 -2.456 1.00 0.00 H new ATOM 814 N ASP A 56 -1.844 -12.486 1.031 1.00 0.00 N ATOM 815 CA ASP A 56 -0.970 -11.302 1.218 1.00 0.00 C ATOM 816 C ASP A 56 0.136 -11.659 2.207 1.00 0.00 C ATOM 817 O ASP A 56 1.243 -11.166 2.121 1.00 0.00 O ATOM 818 CB ASP A 56 -1.881 -10.217 1.784 1.00 0.00 C ATOM 819 CG ASP A 56 -2.234 -9.218 0.681 1.00 0.00 C ATOM 820 OD1 ASP A 56 -2.362 -9.644 -0.456 1.00 0.00 O ATOM 821 OD2 ASP A 56 -2.369 -8.046 0.990 1.00 0.00 O ATOM 0 H ASP A 56 -2.798 -12.386 1.377 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.493 -10.971 0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.789 -10.664 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.385 -9.704 2.608 1.00 0.00 H new ATOM 826 N CYS A 57 -0.151 -12.532 3.136 1.00 0.00 N ATOM 827 CA CYS A 57 0.893 -12.935 4.112 1.00 0.00 C ATOM 828 C CYS A 57 1.974 -13.735 3.387 1.00 0.00 C ATOM 829 O CYS A 57 3.152 -13.467 3.518 1.00 0.00 O ATOM 830 CB CYS A 57 0.173 -13.803 5.144 1.00 0.00 C ATOM 831 SG CYS A 57 1.336 -14.298 6.445 1.00 0.00 S ATOM 0 H CYS A 57 -1.060 -12.979 3.258 1.00 0.00 H new ATOM 0 HA CYS A 57 1.378 -12.082 4.587 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.661 -13.252 5.579 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.246 -14.686 4.662 1.00 0.00 H new ATOM 836 N MET A 58 1.582 -14.709 2.609 1.00 0.00 N ATOM 837 CA MET A 58 2.592 -15.511 1.867 1.00 0.00 C ATOM 838 C MET A 58 3.310 -14.613 0.859 1.00 0.00 C ATOM 839 O MET A 58 4.431 -14.873 0.470 1.00 0.00 O ATOM 840 CB MET A 58 1.798 -16.599 1.147 1.00 0.00 C ATOM 841 CG MET A 58 0.959 -17.378 2.162 1.00 0.00 C ATOM 842 SD MET A 58 -0.526 -18.017 1.350 1.00 0.00 S ATOM 843 CE MET A 58 0.313 -18.980 0.069 1.00 0.00 C ATOM 0 H MET A 58 0.611 -14.981 2.457 1.00 0.00 H new ATOM 0 HA MET A 58 3.349 -15.941 2.523 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.151 -16.152 0.392 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.477 -17.274 0.626 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.542 -18.200 2.578 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.682 -16.731 2.994 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.425 -19.383 -0.625 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.008 -18.338 -0.473 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.862 -19.800 0.531 1.00 0.00 H new ATOM 853 N LYS A 59 2.679 -13.545 0.448 1.00 0.00 N ATOM 854 CA LYS A 59 3.341 -12.626 -0.517 1.00 0.00 C ATOM 855 C LYS A 59 4.535 -11.966 0.169 1.00 0.00 C ATOM 856 O LYS A 59 5.615 -11.879 -0.381 1.00 0.00 O ATOM 857 CB LYS A 59 2.277 -11.586 -0.871 1.00 0.00 C ATOM 858 CG LYS A 59 2.672 -10.871 -2.165 1.00 0.00 C ATOM 859 CD LYS A 59 1.535 -10.997 -3.181 1.00 0.00 C ATOM 860 CE LYS A 59 1.847 -10.136 -4.407 1.00 0.00 C ATOM 861 NZ LYS A 59 2.832 -10.933 -5.191 1.00 0.00 N ATOM 0 H LYS A 59 1.740 -13.272 0.738 1.00 0.00 H new ATOM 0 HA LYS A 59 3.710 -13.135 -1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.307 -12.069 -0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.175 -10.864 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.880 -9.820 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.586 -11.306 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.412 -12.039 -3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.594 -10.680 -2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.947 -9.936 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.261 -9.170 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.662 -10.345 -5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.128 -11.761 -4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.394 -11.250 -6.079 1.00 0.00 H new ATOM 875 N LYS A 60 4.348 -11.512 1.377 1.00 0.00 N ATOM 876 CA LYS A 60 5.470 -10.871 2.116 1.00 0.00 C ATOM 877 C LYS A 60 6.521 -11.923 2.483 1.00 0.00 C ATOM 878 O LYS A 60 7.677 -11.611 2.689 1.00 0.00 O ATOM 879 CB LYS A 60 4.832 -10.282 3.375 1.00 0.00 C ATOM 880 CG LYS A 60 5.931 -9.864 4.353 1.00 0.00 C ATOM 881 CD LYS A 60 6.816 -8.801 3.700 1.00 0.00 C ATOM 882 CE LYS A 60 6.663 -7.476 4.451 1.00 0.00 C ATOM 883 NZ LYS A 60 6.250 -6.493 3.410 1.00 0.00 N ATOM 0 H LYS A 60 3.465 -11.558 1.885 1.00 0.00 H new ATOM 0 HA LYS A 60 5.976 -10.107 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.215 -9.422 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.175 -11.017 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.488 -9.472 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.531 -10.729 4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.858 -9.121 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.537 -8.673 2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.916 -7.553 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.599 -7.180 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.124 -5.557 3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.984 -6.437 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.353 -6.798 2.981 1.00 0.00 H new ATOM 897 N LEU A 61 6.131 -13.170 2.568 1.00 0.00 N ATOM 898 CA LEU A 61 7.116 -14.232 2.924 1.00 0.00 C ATOM 899 C LEU A 61 8.052 -14.505 1.744 1.00 0.00 C ATOM 900 O LEU A 61 8.961 -15.306 1.831 1.00 0.00 O ATOM 901 CB LEU A 61 6.278 -15.474 3.242 1.00 0.00 C ATOM 902 CG LEU A 61 5.520 -15.264 4.556 1.00 0.00 C ATOM 903 CD1 LEU A 61 4.968 -16.606 5.044 1.00 0.00 C ATOM 904 CD2 LEU A 61 6.467 -14.691 5.613 1.00 0.00 C ATOM 0 H LEU A 61 5.178 -13.496 2.407 1.00 0.00 H new ATOM 0 HA LEU A 61 7.743 -13.941 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.574 -15.667 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.923 -16.349 3.319 1.00 0.00 H new ATOM 0 HG LEU A 61 4.699 -14.567 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.428 -16.459 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.291 -17.015 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.792 -17.301 5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.924 -14.543 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.290 -15.386 5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.862 -13.736 5.268 1.00 0.00 H new