USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 637 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 58 ASN : amide:sc= -7.25! C(o=-11!,f=-15!) USER MOD Set 1.2: A 60 TYR OH : rot 0:sc= -3.75! USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0.188 USER MOD Set 2.2: A 54 ASN : amide:sc= -9.22! C(o=-9!,f=-3.9!) USER MOD Set 3.1: A 8 TYR OH : rot 76:sc= 0.508! USER MOD Set 3.2: A 40 TYR OH : rot -29:sc= 1.92! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 14 GLN : amide:sc= -3.16! C(o=-3.2!,f=-2.6!) USER MOD Single : A 17 SER OG : rot -107:sc= -3.29! USER MOD Single : A 18 SER OG : rot -42:sc= 0.0424 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.34) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -140:sc= -0.914 USER MOD Single : A 32 HIS : no HD1:sc= -6.22! K(o=-6.2!,f=-5.3) USER MOD Single : A 34 THR OG1 : rot -91:sc= -1.72! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 87:sc= 0.769 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.2 K(o=-2.2,f=-0.075) USER MOD Single : A 49 ASN : amide:sc= -1.88 K(o=-1.9,f=-0.5) USER MOD Single : A 53 HIS : no HD1:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 56 SER OG : rot -73:sc= 0.0474 USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -1.23 (180deg=-2.85!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -143:sc= -0.0261 (180deg=-1.12) USER MOD Single : A 90 GLN : amide:sc=-0.00556 X(o=-0.0056,f=0) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 8.190 3.687 -12.906 1.00 0.00 N ATOM 80 CA TYR A 6 6.914 3.462 -12.171 1.00 0.00 C ATOM 81 C TYR A 6 6.465 4.758 -11.505 1.00 0.00 C ATOM 82 O TYR A 6 7.254 5.640 -11.231 1.00 0.00 O ATOM 83 CB TYR A 6 7.121 2.388 -11.109 1.00 0.00 C ATOM 84 CG TYR A 6 7.468 1.071 -11.764 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.557 0.967 -13.161 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.698 -0.053 -10.966 1.00 0.00 C ATOM 87 CE1 TYR A 6 7.877 -0.262 -13.751 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.018 -1.280 -11.555 1.00 0.00 C ATOM 89 CZ TYR A 6 8.108 -1.385 -12.948 1.00 0.00 C ATOM 90 OH TYR A 6 8.422 -2.596 -13.529 1.00 0.00 O ATOM 0 HA TYR A 6 6.147 3.136 -12.874 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.919 2.687 -10.429 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.217 2.278 -10.510 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.379 1.834 -13.780 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.628 0.026 -9.891 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.946 -0.343 -14.826 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.196 -2.147 -10.935 1.00 0.00 H new ATOM 0 HH TYR A 6 8.552 -3.270 -12.830 1.00 0.00 H new ATOM 100 N SER A 7 5.196 4.872 -11.246 1.00 0.00 N ATOM 101 CA SER A 7 4.667 6.099 -10.601 1.00 0.00 C ATOM 102 C SER A 7 3.808 5.696 -9.407 1.00 0.00 C ATOM 103 O SER A 7 3.921 4.602 -8.898 1.00 0.00 O ATOM 104 CB SER A 7 3.817 6.860 -11.613 1.00 0.00 C ATOM 105 OG SER A 7 4.249 8.212 -11.671 1.00 0.00 O ATOM 0 H SER A 7 4.496 4.160 -11.456 1.00 0.00 H new ATOM 0 HA SER A 7 5.486 6.734 -10.263 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.902 6.397 -12.596 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.766 6.815 -11.329 1.00 0.00 H new ATOM 0 HG SER A 7 3.705 8.702 -12.322 1.00 0.00 H new ATOM 111 N TYR A 8 2.948 6.560 -8.951 1.00 0.00 N ATOM 112 CA TYR A 8 2.090 6.196 -7.792 1.00 0.00 C ATOM 113 C TYR A 8 0.697 5.811 -8.287 1.00 0.00 C ATOM 114 O TYR A 8 -0.298 6.397 -7.910 1.00 0.00 O ATOM 115 CB TYR A 8 2.010 7.373 -6.828 1.00 0.00 C ATOM 116 CG TYR A 8 3.332 7.502 -6.115 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.967 6.361 -5.607 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.929 8.757 -5.970 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.197 6.477 -4.954 1.00 0.00 C ATOM 120 CE2 TYR A 8 5.159 8.875 -5.315 1.00 0.00 C ATOM 121 CZ TYR A 8 5.794 7.735 -4.807 1.00 0.00 C ATOM 122 OH TYR A 8 7.010 7.852 -4.164 1.00 0.00 O ATOM 0 H TYR A 8 2.802 7.497 -9.327 1.00 0.00 H new ATOM 0 HA TYR A 8 2.522 5.343 -7.268 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.781 8.291 -7.370 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.206 7.219 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.506 5.391 -5.720 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.440 9.636 -6.364 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.687 5.597 -4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.619 9.845 -5.201 1.00 0.00 H new ATOM 0 HH TYR A 8 7.727 7.555 -4.763 1.00 0.00 H new ATOM 132 N ALA A 9 0.630 4.820 -9.131 1.00 0.00 N ATOM 133 CA ALA A 9 -0.682 4.366 -9.668 1.00 0.00 C ATOM 134 C ALA A 9 -0.448 3.120 -10.522 1.00 0.00 C ATOM 135 O ALA A 9 -1.105 2.112 -10.359 1.00 0.00 O ATOM 136 CB ALA A 9 -1.301 5.474 -10.518 1.00 0.00 C ATOM 0 H ALA A 9 1.437 4.300 -9.475 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.364 4.133 -8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.261 5.139 -10.910 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.450 6.363 -9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.634 5.712 -11.347 1.00 0.00 H new ATOM 142 N GLN A 10 0.514 3.169 -11.404 1.00 0.00 N ATOM 143 CA GLN A 10 0.824 1.975 -12.235 1.00 0.00 C ATOM 144 C GLN A 10 1.767 1.114 -11.409 1.00 0.00 C ATOM 145 O GLN A 10 1.740 -0.099 -11.456 1.00 0.00 O ATOM 146 CB GLN A 10 1.496 2.398 -13.547 1.00 0.00 C ATOM 147 CG GLN A 10 2.890 2.967 -13.269 1.00 0.00 C ATOM 148 CD GLN A 10 3.709 2.959 -14.562 1.00 0.00 C ATOM 149 OE1 GLN A 10 3.481 3.764 -15.444 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.659 2.077 -14.712 1.00 0.00 N ATOM 0 H GLN A 10 1.098 3.986 -11.583 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.082 1.429 -12.498 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.572 1.542 -14.217 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.885 3.145 -14.053 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.810 3.983 -12.883 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.391 2.374 -12.504 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.850 1.402 -13.972 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.211 2.063 -15.570 1.00 0.00 H new ATOM 159 N LEU A 11 2.572 1.759 -10.612 1.00 0.00 N ATOM 160 CA LEU A 11 3.497 1.028 -9.719 1.00 0.00 C ATOM 161 C LEU A 11 2.651 0.062 -8.900 1.00 0.00 C ATOM 162 O LEU A 11 3.034 -1.056 -8.616 1.00 0.00 O ATOM 163 CB LEU A 11 4.160 2.044 -8.791 1.00 0.00 C ATOM 164 CG LEU A 11 4.883 1.332 -7.657 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.388 1.492 -7.839 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.473 1.969 -6.335 1.00 0.00 C ATOM 0 H LEU A 11 2.625 2.775 -10.545 1.00 0.00 H new ATOM 0 HA LEU A 11 4.264 0.489 -10.275 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.866 2.655 -9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.408 2.720 -8.384 1.00 0.00 H new ATOM 0 HG LEU A 11 4.623 0.273 -7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.909 0.983 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.688 1.057 -8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.645 2.551 -7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.985 1.466 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.745 3.025 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.395 1.872 -6.203 1.00 0.00 H new ATOM 178 N ILE A 12 1.482 0.509 -8.536 1.00 0.00 N ATOM 179 CA ILE A 12 0.544 -0.341 -7.747 1.00 0.00 C ATOM 180 C ILE A 12 0.041 -1.484 -8.623 1.00 0.00 C ATOM 181 O ILE A 12 0.071 -2.637 -8.241 1.00 0.00 O ATOM 182 CB ILE A 12 -0.652 0.497 -7.313 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.232 1.932 -6.930 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.315 -0.175 -6.120 1.00 0.00 C ATOM 185 CD1 ILE A 12 1.099 1.936 -6.171 1.00 0.00 C ATOM 0 H ILE A 12 1.131 1.441 -8.755 1.00 0.00 H new ATOM 0 HA ILE A 12 1.063 -0.736 -6.874 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.347 0.566 -8.150 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.142 2.540 -7.830 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.007 2.388 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.173 0.416 -5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.648 -1.174 -6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.600 -0.250 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.369 2.961 -5.915 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.999 1.348 -5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.877 1.502 -6.799 1.00 0.00 H new ATOM 197 N VAL A 13 -0.429 -1.168 -9.796 1.00 0.00 N ATOM 198 CA VAL A 13 -0.944 -2.225 -10.702 1.00 0.00 C ATOM 199 C VAL A 13 0.084 -3.352 -10.787 1.00 0.00 C ATOM 200 O VAL A 13 -0.210 -4.488 -10.479 1.00 0.00 O ATOM 201 CB VAL A 13 -1.163 -1.619 -12.088 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.789 -2.660 -13.014 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.095 -0.413 -11.962 1.00 0.00 C ATOM 0 H VAL A 13 -0.478 -0.219 -10.166 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.885 -2.623 -10.324 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.207 -1.303 -12.506 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.943 -2.223 -14.001 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.124 -3.520 -13.097 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.747 -2.981 -12.606 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.257 0.026 -12.946 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.050 -0.733 -11.546 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.643 0.329 -11.304 1.00 0.00 H new ATOM 213 N GLN A 14 1.295 -3.057 -11.168 1.00 0.00 N ATOM 214 CA GLN A 14 2.316 -4.137 -11.222 1.00 0.00 C ATOM 215 C GLN A 14 2.411 -4.762 -9.834 1.00 0.00 C ATOM 216 O GLN A 14 2.745 -5.917 -9.677 1.00 0.00 O ATOM 217 CB GLN A 14 3.675 -3.557 -11.609 1.00 0.00 C ATOM 218 CG GLN A 14 3.566 -2.850 -12.958 1.00 0.00 C ATOM 219 CD GLN A 14 4.751 -1.904 -13.119 1.00 0.00 C ATOM 220 OE1 GLN A 14 5.439 -1.932 -14.120 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.024 -1.062 -12.163 1.00 0.00 N ATOM 0 H GLN A 14 1.618 -2.129 -11.441 1.00 0.00 H new ATOM 0 HA GLN A 14 2.032 -4.883 -11.964 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.013 -2.856 -10.846 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.419 -4.352 -11.663 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.555 -3.581 -13.766 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.630 -2.295 -13.018 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.446 -1.039 -11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.816 -0.426 -12.255 1.00 0.00 H new ATOM 230 N ALA A 15 2.108 -3.997 -8.822 1.00 0.00 N ATOM 231 CA ALA A 15 2.166 -4.533 -7.439 1.00 0.00 C ATOM 232 C ALA A 15 1.043 -5.552 -7.248 1.00 0.00 C ATOM 233 O ALA A 15 1.268 -6.674 -6.841 1.00 0.00 O ATOM 234 CB ALA A 15 1.978 -3.383 -6.444 1.00 0.00 C ATOM 0 H ALA A 15 1.822 -3.021 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 15 3.131 -5.012 -7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.020 -3.772 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.770 -2.647 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.010 -2.911 -6.612 1.00 0.00 H new ATOM 240 N ILE A 16 -0.168 -5.162 -7.535 1.00 0.00 N ATOM 241 CA ILE A 16 -1.316 -6.103 -7.364 1.00 0.00 C ATOM 242 C ILE A 16 -1.538 -6.925 -8.639 1.00 0.00 C ATOM 243 O ILE A 16 -1.604 -8.138 -8.601 1.00 0.00 O ATOM 244 CB ILE A 16 -2.608 -5.347 -7.005 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.431 -3.829 -7.168 1.00 0.00 C ATOM 246 CG2 ILE A 16 -2.956 -5.647 -5.549 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.565 -3.103 -6.449 1.00 0.00 C ATOM 0 H ILE A 16 -0.414 -4.234 -7.880 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.068 -6.776 -6.543 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.402 -5.675 -7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.469 -3.518 -6.759 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.428 -3.564 -8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.870 -5.119 -5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.106 -6.719 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.141 -5.317 -4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.439 -2.027 -6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.520 -3.405 -6.878 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.547 -3.358 -5.390 1.00 0.00 H new ATOM 259 N SER A 17 -1.677 -6.277 -9.763 1.00 0.00 N ATOM 260 CA SER A 17 -1.922 -7.022 -11.034 1.00 0.00 C ATOM 261 C SER A 17 -0.834 -8.078 -11.253 1.00 0.00 C ATOM 262 O SER A 17 -1.084 -9.122 -11.823 1.00 0.00 O ATOM 263 CB SER A 17 -1.922 -6.042 -12.208 1.00 0.00 C ATOM 264 OG SER A 17 -3.088 -5.232 -12.142 1.00 0.00 O ATOM 0 H SER A 17 -1.632 -5.262 -9.858 1.00 0.00 H new ATOM 0 HA SER A 17 -2.889 -7.520 -10.968 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.029 -5.418 -12.176 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.896 -6.587 -13.152 1.00 0.00 H new ATOM 0 HG SER A 17 -3.716 -5.504 -12.844 1.00 0.00 H new ATOM 270 N SER A 18 0.367 -7.823 -10.814 1.00 0.00 N ATOM 271 CA SER A 18 1.451 -8.826 -11.013 1.00 0.00 C ATOM 272 C SER A 18 1.349 -9.916 -9.944 1.00 0.00 C ATOM 273 O SER A 18 2.067 -10.895 -9.977 1.00 0.00 O ATOM 274 CB SER A 18 2.815 -8.142 -10.914 1.00 0.00 C ATOM 275 OG SER A 18 3.796 -8.958 -11.539 1.00 0.00 O ATOM 0 H SER A 18 0.644 -6.969 -10.329 1.00 0.00 H new ATOM 0 HA SER A 18 1.343 -9.275 -12.000 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.780 -7.164 -11.394 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.076 -7.975 -9.869 1.00 0.00 H new ATOM 0 HG SER A 18 3.645 -9.895 -11.296 1.00 0.00 H new ATOM 281 N ALA A 19 0.460 -9.760 -9.001 1.00 0.00 N ATOM 282 CA ALA A 19 0.321 -10.798 -7.942 1.00 0.00 C ATOM 283 C ALA A 19 -0.797 -11.765 -8.333 1.00 0.00 C ATOM 284 O ALA A 19 -1.701 -11.412 -9.064 1.00 0.00 O ATOM 285 CB ALA A 19 -0.027 -10.131 -6.610 1.00 0.00 C ATOM 0 H ALA A 19 -0.172 -8.964 -8.919 1.00 0.00 H new ATOM 0 HA ALA A 19 1.260 -11.341 -7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.128 -10.893 -5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.766 -9.436 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.967 -9.588 -6.710 1.00 0.00 H new ATOM 291 N GLN A 20 -0.739 -12.980 -7.854 1.00 0.00 N ATOM 292 CA GLN A 20 -1.803 -13.971 -8.198 1.00 0.00 C ATOM 293 C GLN A 20 -3.165 -13.274 -8.177 1.00 0.00 C ATOM 294 O GLN A 20 -3.787 -13.077 -9.202 1.00 0.00 O ATOM 295 CB GLN A 20 -1.800 -15.127 -7.186 1.00 0.00 C ATOM 296 CG GLN A 20 -1.155 -14.680 -5.869 1.00 0.00 C ATOM 297 CD GLN A 20 -1.532 -15.661 -4.758 1.00 0.00 C ATOM 298 OE1 GLN A 20 -2.399 -15.382 -3.953 1.00 0.00 O ATOM 299 NE2 GLN A 20 -0.912 -16.807 -4.678 1.00 0.00 N ATOM 0 H GLN A 20 -0.003 -13.329 -7.241 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.609 -14.374 -9.192 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.821 -15.462 -7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.254 -15.977 -7.596 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.071 -14.637 -5.979 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.489 -13.675 -5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.184 -17.041 -5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.155 -17.468 -3.940 1.00 0.00 H new ATOM 308 N ASP A 21 -3.627 -12.886 -7.021 1.00 0.00 N ATOM 309 CA ASP A 21 -4.938 -12.187 -6.936 1.00 0.00 C ATOM 310 C ASP A 21 -4.707 -10.674 -7.053 1.00 0.00 C ATOM 311 O ASP A 21 -3.946 -10.100 -6.300 1.00 0.00 O ATOM 312 CB ASP A 21 -5.594 -12.506 -5.592 1.00 0.00 C ATOM 313 CG ASP A 21 -6.066 -13.961 -5.588 1.00 0.00 C ATOM 314 OD1 ASP A 21 -5.338 -14.800 -6.092 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.148 -14.212 -5.081 1.00 0.00 O ATOM 0 H ASP A 21 -3.151 -13.024 -6.129 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.590 -12.520 -7.743 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.885 -12.340 -4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.438 -11.838 -5.419 1.00 0.00 H new ATOM 320 N ARG A 22 -5.344 -10.025 -7.993 1.00 0.00 N ATOM 321 CA ARG A 22 -5.148 -8.555 -8.156 1.00 0.00 C ATOM 322 C ARG A 22 -5.693 -7.815 -6.932 1.00 0.00 C ATOM 323 O ARG A 22 -6.614 -7.027 -7.028 1.00 0.00 O ATOM 324 CB ARG A 22 -5.886 -8.080 -9.408 1.00 0.00 C ATOM 325 CG ARG A 22 -5.532 -8.991 -10.584 1.00 0.00 C ATOM 326 CD ARG A 22 -6.787 -9.730 -11.051 1.00 0.00 C ATOM 327 NE ARG A 22 -6.428 -11.124 -11.437 1.00 0.00 N ATOM 328 CZ ARG A 22 -7.283 -11.862 -12.092 1.00 0.00 C ATOM 329 NH1 ARG A 22 -8.504 -11.441 -12.281 1.00 0.00 N ATOM 330 NH2 ARG A 22 -6.916 -13.025 -12.557 1.00 0.00 N ATOM 0 H ARG A 22 -5.992 -10.451 -8.655 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.083 -8.345 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.962 -8.092 -9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.612 -7.050 -9.636 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.118 -8.402 -11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.765 -9.706 -10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.532 -9.742 -10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.234 -9.210 -11.898 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.514 -11.502 -11.189 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.793 -10.533 -11.917 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.170 -12.020 -12.793 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.963 -13.356 -12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.583 -13.603 -13.069 1.00 0.00 H new ATOM 344 N GLN A 23 -5.124 -8.055 -5.785 1.00 0.00 N ATOM 345 CA GLN A 23 -5.593 -7.361 -4.555 1.00 0.00 C ATOM 346 C GLN A 23 -4.481 -7.407 -3.509 1.00 0.00 C ATOM 347 O GLN A 23 -3.873 -8.434 -3.281 1.00 0.00 O ATOM 348 CB GLN A 23 -6.844 -8.055 -4.010 1.00 0.00 C ATOM 349 CG GLN A 23 -6.555 -9.540 -3.792 1.00 0.00 C ATOM 350 CD GLN A 23 -7.662 -10.152 -2.932 1.00 0.00 C ATOM 351 OE1 GLN A 23 -8.105 -9.550 -1.974 1.00 0.00 O ATOM 352 NE2 GLN A 23 -8.131 -11.331 -3.235 1.00 0.00 N ATOM 0 H GLN A 23 -4.350 -8.705 -5.646 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.840 -6.325 -4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.149 -7.592 -3.071 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.672 -7.934 -4.708 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.497 -10.055 -4.751 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.589 -9.666 -3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.759 -11.836 -4.039 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.869 -11.747 -2.668 1.00 0.00 H new ATOM 361 N LEU A 24 -4.201 -6.302 -2.881 1.00 0.00 N ATOM 362 CA LEU A 24 -3.120 -6.283 -1.863 1.00 0.00 C ATOM 363 C LEU A 24 -3.606 -5.550 -0.618 1.00 0.00 C ATOM 364 O LEU A 24 -4.485 -4.713 -0.682 1.00 0.00 O ATOM 365 CB LEU A 24 -1.912 -5.536 -2.431 1.00 0.00 C ATOM 366 CG LEU A 24 -1.036 -6.498 -3.234 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.019 -5.700 -4.052 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.297 -7.434 -2.276 1.00 0.00 C ATOM 0 H LEU A 24 -4.675 -5.411 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.845 -7.306 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.246 -4.717 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.333 -5.093 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.662 -7.085 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.606 -6.386 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.545 -5.032 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.608 -5.113 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.328 -8.120 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.329 -6.847 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.021 -8.003 -1.692 1.00 0.00 H new ATOM 380 N THR A 25 -3.026 -5.834 0.511 1.00 0.00 N ATOM 381 CA THR A 25 -3.443 -5.123 1.745 1.00 0.00 C ATOM 382 C THR A 25 -2.777 -3.751 1.731 1.00 0.00 C ATOM 383 O THR A 25 -1.921 -3.485 0.911 1.00 0.00 O ATOM 384 CB THR A 25 -2.987 -5.910 2.976 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.650 -6.352 2.785 1.00 0.00 O ATOM 386 CG2 THR A 25 -3.900 -7.120 3.177 1.00 0.00 C ATOM 0 H THR A 25 -2.285 -6.524 0.632 1.00 0.00 H new ATOM 0 HA THR A 25 -4.528 -5.023 1.784 1.00 0.00 H new ATOM 0 HB THR A 25 -3.037 -5.269 3.856 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.356 -6.855 3.573 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.574 -7.680 4.054 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.926 -6.782 3.323 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.851 -7.762 2.298 1.00 0.00 H new ATOM 394 N LEU A 26 -3.151 -2.869 2.610 1.00 0.00 N ATOM 395 CA LEU A 26 -2.507 -1.528 2.590 1.00 0.00 C ATOM 396 C LEU A 26 -0.991 -1.719 2.567 1.00 0.00 C ATOM 397 O LEU A 26 -0.285 -1.049 1.846 1.00 0.00 O ATOM 398 CB LEU A 26 -2.906 -0.713 3.825 1.00 0.00 C ATOM 399 CG LEU A 26 -3.094 0.750 3.421 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.174 1.390 4.295 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.775 1.504 3.609 1.00 0.00 C ATOM 0 H LEU A 26 -3.860 -3.012 3.329 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.836 -0.984 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.828 -1.106 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.138 -0.795 4.594 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.398 0.800 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.306 2.432 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.114 0.855 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.872 1.340 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.908 2.547 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.472 1.452 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.005 1.051 2.985 1.00 0.00 H new ATOM 413 N SER A 27 -0.489 -2.639 3.344 1.00 0.00 N ATOM 414 CA SER A 27 0.982 -2.884 3.364 1.00 0.00 C ATOM 415 C SER A 27 1.315 -4.089 2.484 1.00 0.00 C ATOM 416 O SER A 27 2.208 -4.856 2.780 1.00 0.00 O ATOM 417 CB SER A 27 1.424 -3.176 4.793 1.00 0.00 C ATOM 418 OG SER A 27 2.516 -2.331 5.132 1.00 0.00 O ATOM 0 H SER A 27 -1.035 -3.233 3.968 1.00 0.00 H new ATOM 0 HA SER A 27 1.500 -2.002 2.987 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.596 -3.012 5.482 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.716 -4.222 4.888 1.00 0.00 H new ATOM 0 HG SER A 27 2.800 -2.517 6.051 1.00 0.00 H new ATOM 424 N GLY A 28 0.614 -4.255 1.400 1.00 0.00 N ATOM 425 CA GLY A 28 0.904 -5.404 0.499 1.00 0.00 C ATOM 426 C GLY A 28 1.702 -4.879 -0.681 1.00 0.00 C ATOM 427 O GLY A 28 2.763 -5.368 -1.018 1.00 0.00 O ATOM 0 H GLY A 28 -0.147 -3.646 1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.467 -6.172 1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.023 -5.866 0.158 1.00 0.00 H new ATOM 431 N ILE A 29 1.177 -3.868 -1.298 1.00 0.00 N ATOM 432 CA ILE A 29 1.844 -3.245 -2.458 1.00 0.00 C ATOM 433 C ILE A 29 3.256 -2.821 -2.072 1.00 0.00 C ATOM 434 O ILE A 29 4.186 -2.929 -2.845 1.00 0.00 O ATOM 435 CB ILE A 29 1.031 -2.032 -2.857 1.00 0.00 C ATOM 436 CG1 ILE A 29 1.584 -1.471 -4.179 1.00 0.00 C ATOM 437 CG2 ILE A 29 1.095 -0.997 -1.731 1.00 0.00 C ATOM 438 CD1 ILE A 29 1.908 0.012 -4.032 1.00 0.00 C ATOM 0 H ILE A 29 0.290 -3.438 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 29 1.911 -3.948 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.014 -2.299 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.481 -2.019 -4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.854 -1.613 -4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.512 -0.119 -2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.687 -1.428 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.132 -0.705 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.298 0.394 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.003 0.558 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.655 0.145 -3.250 1.00 0.00 H new ATOM 450 N TYR A 30 3.420 -2.346 -0.876 1.00 0.00 N ATOM 451 CA TYR A 30 4.774 -1.918 -0.427 1.00 0.00 C ATOM 452 C TYR A 30 5.664 -3.153 -0.348 1.00 0.00 C ATOM 453 O TYR A 30 6.740 -3.195 -0.912 1.00 0.00 O ATOM 454 CB TYR A 30 4.669 -1.267 0.951 1.00 0.00 C ATOM 455 CG TYR A 30 3.501 -0.318 0.941 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.240 0.438 -0.201 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.672 -0.207 2.059 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.147 1.306 -0.233 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.578 0.665 2.029 1.00 0.00 C ATOM 460 CZ TYR A 30 1.313 1.421 0.883 1.00 0.00 C ATOM 461 OH TYR A 30 0.231 2.277 0.854 1.00 0.00 O ATOM 0 H TYR A 30 2.677 -2.234 -0.186 1.00 0.00 H new ATOM 0 HA TYR A 30 5.197 -1.197 -1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.533 -2.027 1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.589 -0.733 1.189 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.885 0.352 -1.063 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.874 -0.792 2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.946 1.889 -1.120 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.937 0.754 2.893 1.00 0.00 H new ATOM 0 HH TYR A 30 0.149 2.730 1.719 1.00 0.00 H new ATOM 471 N ALA A 31 5.211 -4.170 0.326 1.00 0.00 N ATOM 472 CA ALA A 31 6.018 -5.412 0.415 1.00 0.00 C ATOM 473 C ALA A 31 6.270 -5.925 -1.003 1.00 0.00 C ATOM 474 O ALA A 31 7.195 -6.673 -1.251 1.00 0.00 O ATOM 475 CB ALA A 31 5.249 -6.466 1.212 1.00 0.00 C ATOM 0 H ALA A 31 4.318 -4.194 0.818 1.00 0.00 H new ATOM 0 HA ALA A 31 6.965 -5.210 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.843 -7.378 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.051 -6.090 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.305 -6.683 0.712 1.00 0.00 H new ATOM 481 N HIS A 32 5.450 -5.520 -1.938 1.00 0.00 N ATOM 482 CA HIS A 32 5.637 -5.970 -3.343 1.00 0.00 C ATOM 483 C HIS A 32 6.790 -5.186 -3.971 1.00 0.00 C ATOM 484 O HIS A 32 7.801 -5.742 -4.351 1.00 0.00 O ATOM 485 CB HIS A 32 4.352 -5.707 -4.130 1.00 0.00 C ATOM 486 CG HIS A 32 4.556 -6.110 -5.563 1.00 0.00 C ATOM 487 ND1 HIS A 32 3.850 -7.150 -6.148 1.00 0.00 N ATOM 488 CD2 HIS A 32 5.388 -5.625 -6.541 1.00 0.00 C ATOM 489 CE1 HIS A 32 4.267 -7.256 -7.423 1.00 0.00 C ATOM 490 NE2 HIS A 32 5.203 -6.350 -7.715 1.00 0.00 N ATOM 0 H HIS A 32 4.658 -4.896 -1.785 1.00 0.00 H new ATOM 0 HA HIS A 32 5.866 -7.036 -3.364 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.525 -6.269 -3.696 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.086 -4.652 -4.071 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.081 -4.806 -6.418 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.890 -7.985 -8.125 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.680 -6.217 -8.607 1.00 0.00 H new ATOM 498 N ILE A 33 6.642 -3.895 -4.077 1.00 0.00 N ATOM 499 CA ILE A 33 7.722 -3.058 -4.671 1.00 0.00 C ATOM 500 C ILE A 33 9.031 -3.308 -3.921 1.00 0.00 C ATOM 501 O ILE A 33 10.091 -3.399 -4.506 1.00 0.00 O ATOM 502 CB ILE A 33 7.330 -1.582 -4.547 1.00 0.00 C ATOM 503 CG1 ILE A 33 8.160 -0.746 -5.522 1.00 0.00 C ATOM 504 CG2 ILE A 33 7.580 -1.091 -3.118 1.00 0.00 C ATOM 505 CD1 ILE A 33 7.776 0.726 -5.379 1.00 0.00 C ATOM 0 H ILE A 33 5.814 -3.381 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 33 7.857 -3.316 -5.721 1.00 0.00 H new ATOM 0 HB ILE A 33 6.271 -1.476 -4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.223 -0.878 -5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.987 -1.081 -6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.298 -0.041 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.983 -1.680 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.637 -1.202 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.366 1.325 -6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.717 0.849 -5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.971 1.055 -4.358 1.00 0.00 H new ATOM 517 N THR A 34 8.962 -3.412 -2.626 1.00 0.00 N ATOM 518 CA THR A 34 10.198 -3.650 -1.829 1.00 0.00 C ATOM 519 C THR A 34 10.864 -4.950 -2.285 1.00 0.00 C ATOM 520 O THR A 34 12.070 -5.083 -2.255 1.00 0.00 O ATOM 521 CB THR A 34 9.835 -3.756 -0.345 1.00 0.00 C ATOM 522 OG1 THR A 34 8.691 -4.587 -0.199 1.00 0.00 O ATOM 523 CG2 THR A 34 9.533 -2.363 0.209 1.00 0.00 C ATOM 0 H THR A 34 8.102 -3.343 -2.082 1.00 0.00 H new ATOM 0 HA THR A 34 10.889 -2.820 -1.978 1.00 0.00 H new ATOM 0 HB THR A 34 10.671 -4.188 0.205 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.881 -4.037 -0.230 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.275 -2.440 1.265 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.412 -1.728 0.095 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.697 -1.927 -0.338 1.00 0.00 H new ATOM 531 N LYS A 35 10.087 -5.911 -2.701 1.00 0.00 N ATOM 532 CA LYS A 35 10.678 -7.203 -3.152 1.00 0.00 C ATOM 533 C LYS A 35 11.064 -7.117 -4.633 1.00 0.00 C ATOM 534 O LYS A 35 12.176 -7.427 -5.011 1.00 0.00 O ATOM 535 CB LYS A 35 9.659 -8.326 -2.950 1.00 0.00 C ATOM 536 CG LYS A 35 10.253 -9.392 -2.027 1.00 0.00 C ATOM 537 CD LYS A 35 9.153 -10.360 -1.587 1.00 0.00 C ATOM 538 CE LYS A 35 8.214 -9.656 -0.605 1.00 0.00 C ATOM 539 NZ LYS A 35 8.477 -10.151 0.776 1.00 0.00 N ATOM 0 H LYS A 35 9.069 -5.858 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 35 11.573 -7.411 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.741 -7.926 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.393 -8.768 -3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.044 -9.935 -2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.707 -8.921 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.593 -10.709 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.594 -11.239 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.365 -8.577 -0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.176 -9.845 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.839 -9.673 1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.312 -11.177 0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.464 -9.949 1.035 1.00 0.00 H new ATOM 553 N HIS A 36 10.154 -6.709 -5.475 1.00 0.00 N ATOM 554 CA HIS A 36 10.473 -6.616 -6.931 1.00 0.00 C ATOM 555 C HIS A 36 11.277 -5.344 -7.210 1.00 0.00 C ATOM 556 O HIS A 36 12.224 -5.353 -7.970 1.00 0.00 O ATOM 557 CB HIS A 36 9.172 -6.584 -7.736 1.00 0.00 C ATOM 558 CG HIS A 36 8.514 -7.934 -7.674 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.592 -8.844 -8.718 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.765 -8.546 -6.700 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.908 -9.943 -8.350 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.383 -9.815 -7.129 1.00 0.00 N ATOM 0 H HIS A 36 9.205 -6.436 -5.220 1.00 0.00 H new ATOM 0 HA HIS A 36 11.064 -7.483 -7.224 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.503 -5.822 -7.336 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.379 -6.315 -8.772 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.510 -8.110 -5.745 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.797 -10.822 -8.968 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.823 -10.499 -6.620 1.00 0.00 H new ATOM 570 N TYR A 37 10.909 -4.250 -6.604 1.00 0.00 N ATOM 571 CA TYR A 37 11.657 -2.981 -6.839 1.00 0.00 C ATOM 572 C TYR A 37 12.696 -2.788 -5.724 1.00 0.00 C ATOM 573 O TYR A 37 12.337 -2.646 -4.571 1.00 0.00 O ATOM 574 CB TYR A 37 10.679 -1.800 -6.838 1.00 0.00 C ATOM 575 CG TYR A 37 10.692 -1.137 -8.192 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.651 -1.922 -9.346 1.00 0.00 C ATOM 577 CD2 TYR A 37 10.742 0.259 -8.291 1.00 0.00 C ATOM 578 CE1 TYR A 37 10.661 -1.315 -10.606 1.00 0.00 C ATOM 579 CE2 TYR A 37 10.751 0.867 -9.552 1.00 0.00 C ATOM 580 CZ TYR A 37 10.710 0.080 -10.710 1.00 0.00 C ATOM 581 OH TYR A 37 10.719 0.680 -11.953 1.00 0.00 O ATOM 0 H TYR A 37 10.124 -4.178 -5.957 1.00 0.00 H new ATOM 0 HA TYR A 37 12.162 -3.030 -7.804 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.673 -2.147 -6.600 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.959 -1.082 -6.067 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.612 -2.998 -9.266 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.774 0.865 -7.397 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.631 -1.922 -11.498 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.790 1.943 -9.632 1.00 0.00 H new ATOM 0 HH TYR A 37 9.798 0.804 -12.263 1.00 0.00 H new ATOM 591 N PRO A 38 13.954 -2.794 -6.095 1.00 0.00 N ATOM 592 CA PRO A 38 15.063 -2.627 -5.136 1.00 0.00 C ATOM 593 C PRO A 38 15.221 -1.154 -4.742 1.00 0.00 C ATOM 594 O PRO A 38 15.561 -0.837 -3.619 1.00 0.00 O ATOM 595 CB PRO A 38 16.288 -3.117 -5.915 1.00 0.00 C ATOM 596 CG PRO A 38 15.929 -2.999 -7.415 1.00 0.00 C ATOM 597 CD PRO A 38 14.391 -2.965 -7.497 1.00 0.00 C ATOM 0 HA PRO A 38 14.907 -3.172 -4.205 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.165 -2.515 -5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.528 -4.148 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.360 -2.096 -7.847 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.329 -3.843 -7.977 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.044 -2.144 -8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.995 -3.885 -7.928 1.00 0.00 H new ATOM 605 N TYR A 39 14.978 -0.251 -5.654 1.00 0.00 N ATOM 606 CA TYR A 39 15.118 1.196 -5.323 1.00 0.00 C ATOM 607 C TYR A 39 14.166 1.547 -4.178 1.00 0.00 C ATOM 608 O TYR A 39 14.477 2.353 -3.323 1.00 0.00 O ATOM 609 CB TYR A 39 14.771 2.035 -6.558 1.00 0.00 C ATOM 610 CG TYR A 39 14.589 3.482 -6.156 1.00 0.00 C ATOM 611 CD1 TYR A 39 15.706 4.283 -5.893 1.00 0.00 C ATOM 612 CD2 TYR A 39 13.301 4.020 -6.047 1.00 0.00 C ATOM 613 CE1 TYR A 39 15.535 5.623 -5.521 1.00 0.00 C ATOM 614 CE2 TYR A 39 13.130 5.359 -5.675 1.00 0.00 C ATOM 615 CZ TYR A 39 14.247 6.160 -5.412 1.00 0.00 C ATOM 616 OH TYR A 39 14.078 7.480 -5.046 1.00 0.00 O ATOM 0 H TYR A 39 14.689 -0.452 -6.611 1.00 0.00 H new ATOM 0 HA TYR A 39 16.143 1.407 -5.019 1.00 0.00 H new ATOM 0 HB2 TYR A 39 15.564 1.951 -7.301 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.859 1.659 -7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 39 16.700 3.868 -5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 39 12.439 3.402 -6.250 1.00 0.00 H new ATOM 0 HE1 TYR A 39 16.397 6.241 -5.318 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.136 5.774 -5.591 1.00 0.00 H new ATOM 0 HH TYR A 39 13.122 7.692 -5.019 1.00 0.00 H new ATOM 626 N TYR A 40 13.010 0.944 -4.153 1.00 0.00 N ATOM 627 CA TYR A 40 12.036 1.239 -3.065 1.00 0.00 C ATOM 628 C TYR A 40 12.311 0.320 -1.871 1.00 0.00 C ATOM 629 O TYR A 40 11.890 -0.819 -1.845 1.00 0.00 O ATOM 630 CB TYR A 40 10.616 0.990 -3.575 1.00 0.00 C ATOM 631 CG TYR A 40 9.967 2.306 -3.928 1.00 0.00 C ATOM 632 CD1 TYR A 40 9.291 3.038 -2.946 1.00 0.00 C ATOM 633 CD2 TYR A 40 10.037 2.791 -5.240 1.00 0.00 C ATOM 634 CE1 TYR A 40 8.685 4.257 -3.274 1.00 0.00 C ATOM 635 CE2 TYR A 40 9.433 4.010 -5.568 1.00 0.00 C ATOM 636 CZ TYR A 40 8.756 4.743 -4.586 1.00 0.00 C ATOM 637 OH TYR A 40 8.159 5.945 -4.909 1.00 0.00 O ATOM 0 H TYR A 40 12.697 0.258 -4.840 1.00 0.00 H new ATOM 0 HA TYR A 40 12.139 2.280 -2.757 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.642 0.340 -4.449 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.030 0.477 -2.813 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.237 2.663 -1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.557 2.224 -5.998 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.163 4.822 -2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.489 4.385 -6.579 1.00 0.00 H new ATOM 0 HH TYR A 40 7.389 6.096 -4.322 1.00 0.00 H new ATOM 647 N ARG A 41 13.012 0.803 -0.880 1.00 0.00 N ATOM 648 CA ARG A 41 13.305 -0.048 0.307 1.00 0.00 C ATOM 649 C ARG A 41 13.667 0.844 1.496 1.00 0.00 C ATOM 650 O ARG A 41 13.062 0.769 2.547 1.00 0.00 O ATOM 651 CB ARG A 41 14.477 -0.980 -0.009 1.00 0.00 C ATOM 652 CG ARG A 41 14.772 -1.861 1.206 1.00 0.00 C ATOM 653 CD ARG A 41 13.746 -2.995 1.276 1.00 0.00 C ATOM 654 NE ARG A 41 13.312 -3.186 2.688 1.00 0.00 N ATOM 655 CZ ARG A 41 12.570 -4.209 3.011 1.00 0.00 C ATOM 656 NH1 ARG A 41 12.984 -5.422 2.761 1.00 0.00 N ATOM 657 NH2 ARG A 41 11.413 -4.022 3.586 1.00 0.00 N ATOM 0 H ARG A 41 13.393 1.748 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 41 12.426 -0.643 0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.239 -1.601 -0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.359 -0.396 -0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.779 -2.272 1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.734 -1.265 2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.886 -2.761 0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.180 -3.917 0.890 1.00 0.00 H new ATOM 0 HE ARG A 41 13.595 -2.516 3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.888 -5.570 2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.403 -6.221 3.014 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.089 -3.075 3.783 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.833 -4.823 3.838 1.00 0.00 H new ATOM 671 N THR A 42 14.646 1.691 1.338 1.00 0.00 N ATOM 672 CA THR A 42 15.044 2.589 2.458 1.00 0.00 C ATOM 673 C THR A 42 14.894 4.046 2.019 1.00 0.00 C ATOM 674 O THR A 42 15.762 4.866 2.243 1.00 0.00 O ATOM 675 CB THR A 42 16.500 2.318 2.838 1.00 0.00 C ATOM 676 OG1 THR A 42 17.143 1.625 1.778 1.00 0.00 O ATOM 677 CG2 THR A 42 16.549 1.470 4.110 1.00 0.00 C ATOM 0 H THR A 42 15.188 1.800 0.481 1.00 0.00 H new ATOM 0 HA THR A 42 14.404 2.401 3.320 1.00 0.00 H new ATOM 0 HB THR A 42 17.011 3.264 3.016 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.077 1.452 2.019 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.588 1.278 4.379 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.056 2.004 4.922 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.038 0.523 3.936 1.00 0.00 H new ATOM 685 N ALA A 43 13.798 4.375 1.393 1.00 0.00 N ATOM 686 CA ALA A 43 13.592 5.779 0.939 1.00 0.00 C ATOM 687 C ALA A 43 12.655 6.495 1.912 1.00 0.00 C ATOM 688 O ALA A 43 12.597 6.172 3.082 1.00 0.00 O ATOM 689 CB ALA A 43 12.970 5.776 -0.459 1.00 0.00 C ATOM 0 H ALA A 43 13.036 3.732 1.176 1.00 0.00 H new ATOM 0 HA ALA A 43 14.551 6.297 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.819 6.803 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.637 5.264 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.011 5.259 -0.429 1.00 0.00 H new ATOM 695 N ASP A 44 11.921 7.464 1.440 1.00 0.00 N ATOM 696 CA ASP A 44 10.989 8.196 2.342 1.00 0.00 C ATOM 697 C ASP A 44 9.629 7.498 2.344 1.00 0.00 C ATOM 698 O ASP A 44 9.318 6.719 1.464 1.00 0.00 O ATOM 699 CB ASP A 44 10.820 9.631 1.845 1.00 0.00 C ATOM 700 CG ASP A 44 12.071 10.442 2.186 1.00 0.00 C ATOM 701 OD1 ASP A 44 13.155 9.990 1.855 1.00 0.00 O ATOM 702 OD2 ASP A 44 11.924 11.501 2.773 1.00 0.00 O ATOM 0 H ASP A 44 11.926 7.780 0.470 1.00 0.00 H new ATOM 0 HA ASP A 44 11.396 8.206 3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.653 9.636 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.943 10.085 2.306 1.00 0.00 H new ATOM 707 N LYS A 45 8.816 7.772 3.325 1.00 0.00 N ATOM 708 CA LYS A 45 7.476 7.127 3.379 1.00 0.00 C ATOM 709 C LYS A 45 6.460 8.000 2.639 1.00 0.00 C ATOM 710 O LYS A 45 5.273 7.934 2.889 1.00 0.00 O ATOM 711 CB LYS A 45 7.047 6.962 4.838 1.00 0.00 C ATOM 712 CG LYS A 45 6.954 5.473 5.177 1.00 0.00 C ATOM 713 CD LYS A 45 5.909 5.263 6.275 1.00 0.00 C ATOM 714 CE LYS A 45 6.609 4.902 7.587 1.00 0.00 C ATOM 715 NZ LYS A 45 5.866 3.799 8.259 1.00 0.00 N ATOM 0 H LYS A 45 9.021 8.414 4.091 1.00 0.00 H new ATOM 0 HA LYS A 45 7.524 6.147 2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.764 7.452 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.083 7.444 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.683 4.903 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.924 5.103 5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.316 6.168 6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.220 4.469 5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.637 4.596 7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.655 5.774 8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.341 3.553 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.893 4.107 8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.844 2.966 7.637 1.00 0.00 H new ATOM 729 N GLY A 46 6.917 8.814 1.724 1.00 0.00 N ATOM 730 CA GLY A 46 5.974 9.683 0.966 1.00 0.00 C ATOM 731 C GLY A 46 4.974 8.799 0.221 1.00 0.00 C ATOM 732 O GLY A 46 3.776 8.923 0.383 1.00 0.00 O ATOM 0 H GLY A 46 7.900 8.913 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.450 10.354 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.522 10.309 0.261 1.00 0.00 H new ATOM 736 N TRP A 47 5.460 7.902 -0.594 1.00 0.00 N ATOM 737 CA TRP A 47 4.545 7.004 -1.350 1.00 0.00 C ATOM 738 C TRP A 47 3.672 6.214 -0.374 1.00 0.00 C ATOM 739 O TRP A 47 2.601 5.757 -0.720 1.00 0.00 O ATOM 740 CB TRP A 47 5.373 6.027 -2.188 1.00 0.00 C ATOM 741 CG TRP A 47 6.098 5.067 -1.292 1.00 0.00 C ATOM 742 CD1 TRP A 47 6.880 5.412 -0.238 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.126 3.611 -1.358 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.386 4.264 0.338 1.00 0.00 N ATOM 745 CE2 TRP A 47 6.952 3.129 -0.314 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.524 2.672 -2.215 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.173 1.765 -0.127 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.745 1.297 -2.028 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.569 0.846 -0.987 1.00 0.00 C ATOM 0 H TRP A 47 6.454 7.753 -0.768 1.00 0.00 H new ATOM 0 HA TRP A 47 3.909 7.604 -2.001 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.723 5.480 -2.871 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.088 6.576 -2.800 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.075 6.420 0.096 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.006 4.256 1.148 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.889 3.010 -3.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.807 1.422 0.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.277 0.583 -2.690 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.736 -0.212 -0.851 1.00 0.00 H new ATOM 760 N GLN A 48 4.115 6.049 0.843 1.00 0.00 N ATOM 761 CA GLN A 48 3.296 5.290 1.828 1.00 0.00 C ATOM 762 C GLN A 48 1.899 5.907 1.907 1.00 0.00 C ATOM 763 O GLN A 48 0.935 5.348 1.425 1.00 0.00 O ATOM 764 CB GLN A 48 3.960 5.345 3.206 1.00 0.00 C ATOM 765 CG GLN A 48 3.531 4.125 4.024 1.00 0.00 C ATOM 766 CD GLN A 48 4.428 2.935 3.677 1.00 0.00 C ATOM 767 OE1 GLN A 48 4.542 2.003 4.446 1.00 0.00 O ATOM 768 NE2 GLN A 48 5.075 2.927 2.542 1.00 0.00 N ATOM 0 H GLN A 48 5.004 6.405 1.195 1.00 0.00 H new ATOM 0 HA GLN A 48 3.219 4.250 1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.045 5.362 3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.676 6.262 3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.599 4.346 5.089 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.489 3.882 3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.980 3.710 1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.675 2.138 2.303 1.00 0.00 H new ATOM 777 N ASN A 49 1.783 7.060 2.506 1.00 0.00 N ATOM 778 CA ASN A 49 0.449 7.711 2.605 1.00 0.00 C ATOM 779 C ASN A 49 -0.063 8.015 1.198 1.00 0.00 C ATOM 780 O ASN A 49 -1.247 8.161 0.974 1.00 0.00 O ATOM 781 CB ASN A 49 0.574 9.015 3.395 1.00 0.00 C ATOM 782 CG ASN A 49 1.492 9.981 2.642 1.00 0.00 C ATOM 783 OD1 ASN A 49 2.633 10.168 3.016 1.00 0.00 O ATOM 784 ND2 ASN A 49 1.038 10.608 1.592 1.00 0.00 N ATOM 0 H ASN A 49 2.553 7.578 2.930 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.248 7.046 3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.409 9.464 3.534 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.976 8.814 4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.641 11.256 1.084 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.080 10.451 1.279 1.00 0.00 H new ATOM 791 N SER A 50 0.826 8.109 0.246 1.00 0.00 N ATOM 792 CA SER A 50 0.396 8.399 -1.147 1.00 0.00 C ATOM 793 C SER A 50 -0.312 7.173 -1.726 1.00 0.00 C ATOM 794 O SER A 50 -1.444 7.247 -2.158 1.00 0.00 O ATOM 795 CB SER A 50 1.621 8.733 -2.001 1.00 0.00 C ATOM 796 OG SER A 50 1.247 9.649 -3.022 1.00 0.00 O ATOM 0 H SER A 50 1.832 7.997 0.376 1.00 0.00 H new ATOM 0 HA SER A 50 -0.288 9.248 -1.148 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.405 9.164 -1.379 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.029 7.824 -2.444 1.00 0.00 H new ATOM 0 HG SER A 50 2.030 9.866 -3.570 1.00 0.00 H new ATOM 802 N ILE A 51 0.342 6.041 -1.737 1.00 0.00 N ATOM 803 CA ILE A 51 -0.305 4.817 -2.290 1.00 0.00 C ATOM 804 C ILE A 51 -1.705 4.678 -1.702 1.00 0.00 C ATOM 805 O ILE A 51 -2.681 4.656 -2.419 1.00 0.00 O ATOM 806 CB ILE A 51 0.528 3.579 -1.932 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.827 3.567 -2.752 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.277 2.315 -2.242 1.00 0.00 C ATOM 809 CD1 ILE A 51 1.541 3.984 -4.193 1.00 0.00 C ATOM 0 H ILE A 51 1.292 5.912 -1.388 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.369 4.901 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 51 0.773 3.609 -0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.554 4.246 -2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.268 2.571 -2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.315 1.435 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.196 2.316 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.524 2.292 -3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.468 3.972 -4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.830 3.288 -4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.120 4.989 -4.204 1.00 0.00 H new ATOM 821 N ARG A 52 -1.815 4.594 -0.405 1.00 0.00 N ATOM 822 CA ARG A 52 -3.160 4.453 0.217 1.00 0.00 C ATOM 823 C ARG A 52 -4.108 5.482 -0.398 1.00 0.00 C ATOM 824 O ARG A 52 -5.222 5.168 -0.770 1.00 0.00 O ATOM 825 CB ARG A 52 -3.049 4.694 1.724 1.00 0.00 C ATOM 826 CG ARG A 52 -4.434 4.588 2.365 1.00 0.00 C ATOM 827 CD ARG A 52 -4.486 5.465 3.617 1.00 0.00 C ATOM 828 NE ARG A 52 -5.883 5.941 3.829 1.00 0.00 N ATOM 829 CZ ARG A 52 -6.582 5.487 4.832 1.00 0.00 C ATOM 830 NH1 ARG A 52 -6.702 4.201 5.014 1.00 0.00 N ATOM 831 NH2 ARG A 52 -7.163 6.321 5.654 1.00 0.00 N ATOM 0 H ARG A 52 -1.033 4.617 0.249 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.546 3.449 0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.374 3.964 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.624 5.679 1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.200 4.903 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.647 3.551 2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.147 4.900 4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.813 6.315 3.507 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.292 6.622 3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.249 3.551 4.372 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.249 3.846 5.798 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.070 7.327 5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.710 5.966 6.439 1.00 0.00 H new ATOM 845 N HIS A 53 -3.677 6.705 -0.517 1.00 0.00 N ATOM 846 CA HIS A 53 -4.554 7.744 -1.121 1.00 0.00 C ATOM 847 C HIS A 53 -4.607 7.552 -2.639 1.00 0.00 C ATOM 848 O HIS A 53 -5.535 7.982 -3.295 1.00 0.00 O ATOM 849 CB HIS A 53 -3.988 9.131 -0.809 1.00 0.00 C ATOM 850 CG HIS A 53 -5.119 10.105 -0.630 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.487 10.586 0.615 1.00 0.00 N ATOM 852 CD2 HIS A 53 -5.973 10.697 -1.529 1.00 0.00 C ATOM 853 CE1 HIS A 53 -6.520 11.430 0.435 1.00 0.00 C ATOM 854 NE2 HIS A 53 -6.856 11.533 -0.853 1.00 0.00 N ATOM 0 H HIS A 53 -2.756 7.030 -0.222 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.558 7.654 -0.707 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.380 9.093 0.095 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.335 9.460 -1.618 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.961 10.538 -2.597 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.016 11.959 1.235 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.600 12.103 -1.255 1.00 0.00 H new ATOM 862 N ASN A 54 -3.609 6.925 -3.206 1.00 0.00 N ATOM 863 CA ASN A 54 -3.593 6.727 -4.680 1.00 0.00 C ATOM 864 C ASN A 54 -4.638 5.688 -5.100 1.00 0.00 C ATOM 865 O ASN A 54 -5.244 5.806 -6.145 1.00 0.00 O ATOM 866 CB ASN A 54 -2.200 6.263 -5.111 1.00 0.00 C ATOM 867 CG ASN A 54 -1.244 7.459 -5.100 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.514 8.470 -5.718 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.129 7.387 -4.426 1.00 0.00 N ATOM 0 H ASN A 54 -2.805 6.542 -2.709 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.836 7.672 -5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.838 5.487 -4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.242 5.825 -6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.514 8.178 -4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.099 6.539 -3.907 1.00 0.00 H new ATOM 876 N LEU A 55 -4.854 4.664 -4.317 1.00 0.00 N ATOM 877 CA LEU A 55 -5.858 3.637 -4.731 1.00 0.00 C ATOM 878 C LEU A 55 -7.262 4.232 -4.625 1.00 0.00 C ATOM 879 O LEU A 55 -8.197 3.748 -5.229 1.00 0.00 O ATOM 880 CB LEU A 55 -5.778 2.376 -3.851 1.00 0.00 C ATOM 881 CG LEU A 55 -4.333 2.021 -3.459 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.324 2.571 -4.472 1.00 0.00 C ATOM 883 CD2 LEU A 55 -4.043 2.569 -2.062 1.00 0.00 C ATOM 0 H LEU A 55 -4.389 4.494 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.640 3.349 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.369 2.529 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.223 1.536 -4.384 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.229 0.936 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.314 2.301 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.528 2.147 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.411 3.656 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.020 2.320 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.166 3.652 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.736 2.126 -1.346 1.00 0.00 H new ATOM 895 N SER A 56 -7.418 5.284 -3.869 1.00 0.00 N ATOM 896 CA SER A 56 -8.764 5.906 -3.741 1.00 0.00 C ATOM 897 C SER A 56 -8.979 6.855 -4.918 1.00 0.00 C ATOM 898 O SER A 56 -9.999 6.825 -5.578 1.00 0.00 O ATOM 899 CB SER A 56 -8.847 6.691 -2.431 1.00 0.00 C ATOM 900 OG SER A 56 -8.392 8.019 -2.649 1.00 0.00 O ATOM 0 H SER A 56 -6.675 5.737 -3.337 1.00 0.00 H new ATOM 0 HA SER A 56 -9.531 5.131 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.874 6.702 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.240 6.208 -1.665 1.00 0.00 H new ATOM 0 HG SER A 56 -7.418 8.018 -2.753 1.00 0.00 H new ATOM 906 N LEU A 57 -8.016 7.689 -5.191 1.00 0.00 N ATOM 907 CA LEU A 57 -8.148 8.636 -6.327 1.00 0.00 C ATOM 908 C LEU A 57 -7.879 7.891 -7.638 1.00 0.00 C ATOM 909 O LEU A 57 -8.291 8.315 -8.699 1.00 0.00 O ATOM 910 CB LEU A 57 -7.131 9.766 -6.161 1.00 0.00 C ATOM 911 CG LEU A 57 -5.715 9.197 -6.249 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.250 9.211 -7.706 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.767 10.054 -5.404 1.00 0.00 C ATOM 0 H LEU A 57 -7.140 7.754 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.155 9.053 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.280 10.520 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.276 10.261 -5.201 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.711 8.173 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.240 8.805 -7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.924 8.603 -8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.254 10.235 -8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.757 9.649 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.771 11.078 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.098 10.046 -4.365 1.00 0.00 H new ATOM 925 N ASN A 58 -7.189 6.784 -7.569 1.00 0.00 N ATOM 926 CA ASN A 58 -6.895 6.012 -8.815 1.00 0.00 C ATOM 927 C ASN A 58 -8.188 5.823 -9.609 1.00 0.00 C ATOM 928 O ASN A 58 -9.263 5.730 -9.051 1.00 0.00 O ATOM 929 CB ASN A 58 -6.313 4.635 -8.467 1.00 0.00 C ATOM 930 CG ASN A 58 -4.826 4.603 -8.825 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.418 3.878 -9.710 1.00 0.00 O ATOM 932 ND2 ASN A 58 -3.993 5.363 -8.169 1.00 0.00 N ATOM 0 H ASN A 58 -6.817 6.381 -6.709 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.167 6.565 -9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.446 4.430 -7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.846 3.855 -9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.999 5.348 -8.399 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.335 5.972 -7.426 1.00 0.00 H new ATOM 939 N ARG A 59 -8.094 5.768 -10.909 1.00 0.00 N ATOM 940 CA ARG A 59 -9.319 5.588 -11.739 1.00 0.00 C ATOM 941 C ARG A 59 -9.578 4.097 -11.962 1.00 0.00 C ATOM 942 O ARG A 59 -10.574 3.713 -12.543 1.00 0.00 O ATOM 943 CB ARG A 59 -9.135 6.274 -13.099 1.00 0.00 C ATOM 944 CG ARG A 59 -8.073 7.371 -12.991 1.00 0.00 C ATOM 945 CD ARG A 59 -8.225 8.346 -14.161 1.00 0.00 C ATOM 946 NE ARG A 59 -7.084 9.304 -14.165 1.00 0.00 N ATOM 947 CZ ARG A 59 -7.108 10.352 -13.388 1.00 0.00 C ATOM 948 NH1 ARG A 59 -7.688 11.450 -13.791 1.00 0.00 N ATOM 949 NH2 ARG A 59 -6.553 10.304 -12.209 1.00 0.00 N ATOM 0 H ARG A 59 -7.222 5.840 -11.433 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.166 6.034 -11.218 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.838 5.541 -13.848 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.081 6.703 -13.430 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.179 7.902 -12.045 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.077 6.929 -12.999 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.256 7.798 -15.103 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.167 8.887 -14.076 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.283 9.141 -14.776 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.122 11.489 -14.713 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.707 12.269 -13.184 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.099 9.447 -11.893 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.572 11.124 -11.602 1.00 0.00 H new ATOM 963 N TYR A 60 -8.690 3.250 -11.516 1.00 0.00 N ATOM 964 CA TYR A 60 -8.898 1.788 -11.722 1.00 0.00 C ATOM 965 C TYR A 60 -8.669 1.028 -10.416 1.00 0.00 C ATOM 966 O TYR A 60 -8.638 -0.186 -10.395 1.00 0.00 O ATOM 967 CB TYR A 60 -7.913 1.275 -12.769 1.00 0.00 C ATOM 968 CG TYR A 60 -6.581 1.963 -12.596 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.402 3.260 -13.087 1.00 0.00 C ATOM 970 CD2 TYR A 60 -5.522 1.305 -11.955 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.170 3.902 -12.940 1.00 0.00 C ATOM 972 CE2 TYR A 60 -4.288 1.947 -11.810 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.113 3.245 -12.303 1.00 0.00 C ATOM 974 OH TYR A 60 -2.898 3.877 -12.158 1.00 0.00 O ATOM 0 H TYR A 60 -7.835 3.505 -11.021 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.922 1.627 -12.058 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.791 0.196 -12.670 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.302 1.461 -13.770 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.218 3.767 -13.581 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.659 0.304 -11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.034 4.905 -13.318 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.470 1.441 -11.318 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.945 4.772 -12.554 1.00 0.00 H new ATOM 984 N PHE A 61 -8.502 1.722 -9.329 1.00 0.00 N ATOM 985 CA PHE A 61 -8.269 1.019 -8.038 1.00 0.00 C ATOM 986 C PHE A 61 -9.506 1.162 -7.145 1.00 0.00 C ATOM 987 O PHE A 61 -10.283 2.085 -7.286 1.00 0.00 O ATOM 988 CB PHE A 61 -7.046 1.628 -7.348 1.00 0.00 C ATOM 989 CG PHE A 61 -5.764 1.167 -8.029 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.749 0.033 -8.868 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.577 1.882 -7.818 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.558 -0.367 -9.482 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.394 1.475 -8.434 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.382 0.353 -9.264 1.00 0.00 C ATOM 0 H PHE A 61 -8.516 2.741 -9.276 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.088 -0.040 -8.221 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.109 2.716 -7.377 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.031 1.337 -6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.657 -0.526 -9.036 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.579 2.751 -7.176 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.548 -1.234 -10.126 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.483 2.031 -8.268 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.463 0.042 -9.738 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.697 0.244 -6.234 1.00 0.00 N ATOM 1005 CA ILE A 62 -10.889 0.314 -5.338 1.00 0.00 C ATOM 1006 C ILE A 62 -10.562 -0.345 -3.994 1.00 0.00 C ATOM 1007 O ILE A 62 -9.482 -0.865 -3.793 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.062 -0.422 -5.997 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -11.747 -1.921 -6.083 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.287 0.128 -7.405 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.054 -2.715 -6.137 1.00 0.00 C ATOM 0 H ILE A 62 -9.079 -0.551 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.158 1.357 -5.172 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.961 -0.272 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.147 -2.127 -6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.157 -2.230 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.121 -0.396 -7.871 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.514 1.193 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.387 -0.019 -8.001 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.830 -3.780 -6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -13.637 -2.518 -5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.627 -2.414 -7.014 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.489 -0.330 -3.073 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.232 -0.959 -1.744 1.00 0.00 C ATOM 1025 C LYS A 63 -12.312 -2.008 -1.465 1.00 0.00 C ATOM 1026 O LYS A 63 -13.430 -1.898 -1.929 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.268 0.111 -0.644 1.00 0.00 C ATOM 1028 CG LYS A 63 -10.936 1.483 -1.237 1.00 0.00 C ATOM 1029 CD LYS A 63 -9.470 1.511 -1.671 1.00 0.00 C ATOM 1030 CE LYS A 63 -8.618 2.106 -0.549 1.00 0.00 C ATOM 1031 NZ LYS A 63 -8.566 1.152 0.594 1.00 0.00 N ATOM 0 H LYS A 63 -12.412 0.090 -3.183 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.250 -1.431 -1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.254 0.135 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.553 -0.138 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.583 1.688 -2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.123 2.264 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.129 0.502 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.360 2.103 -2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.611 2.310 -0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.039 3.057 -0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.686 1.298 1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.381 1.314 1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.594 0.177 0.234 1.00 0.00 H new ATOM 1045 N VAL A 64 -11.991 -3.024 -0.710 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.005 -4.073 -0.407 1.00 0.00 C ATOM 1047 C VAL A 64 -13.483 -3.917 1.043 1.00 0.00 C ATOM 1048 O VAL A 64 -12.678 -3.841 1.949 1.00 0.00 O ATOM 1049 CB VAL A 64 -12.377 -5.457 -0.585 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.482 -6.504 -0.743 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -11.495 -5.457 -1.834 1.00 0.00 C ATOM 0 H VAL A 64 -11.073 -3.172 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.851 -3.966 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.772 -5.697 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.034 -7.490 -0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.113 -6.504 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -14.087 -6.265 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.047 -6.442 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.101 -5.217 -2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.708 -4.712 -1.723 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.347 -4.853 2.994 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.822 -5.439 1.727 1.00 0.00 C ATOM 1220 C PHE A 76 -8.336 -4.630 0.537 1.00 0.00 C ATOM 1221 O PHE A 76 -9.498 -4.693 0.185 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.295 -6.887 1.597 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.122 -7.776 1.261 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -6.514 -7.688 0.004 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -6.643 -8.689 2.209 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -5.427 -8.514 -0.306 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.557 -9.514 1.898 1.00 0.00 C ATOM 1228 CZ PHE A 76 -4.947 -9.426 0.641 1.00 0.00 C ATOM 0 HA PHE A 76 -6.732 -5.412 1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.757 -7.214 2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.056 -6.963 0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.883 -6.983 -0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.112 -8.756 3.180 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.958 -8.447 -1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.189 -10.219 2.628 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.107 -10.061 0.402 1.00 0.00 H new ATOM 1238 N TRP A 77 -7.479 -3.874 -0.088 1.00 0.00 N ATOM 1239 CA TRP A 77 -7.915 -3.065 -1.258 1.00 0.00 C ATOM 1240 C TRP A 77 -7.419 -3.742 -2.546 1.00 0.00 C ATOM 1241 O TRP A 77 -6.470 -4.501 -2.526 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.339 -1.648 -1.122 1.00 0.00 C ATOM 1243 CG TRP A 77 -5.944 -1.602 -1.643 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -4.827 -1.914 -0.945 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -5.508 -1.221 -2.968 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -3.728 -1.739 -1.768 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -4.100 -1.312 -3.028 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.202 -0.806 -4.113 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -3.403 -0.996 -4.192 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -5.508 -0.491 -5.282 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -4.116 -0.583 -5.324 1.00 0.00 C ATOM 0 H TRP A 77 -6.494 -3.781 0.161 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.002 -2.998 -1.299 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.962 -0.941 -1.670 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.354 -1.341 -0.076 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.798 -2.244 0.083 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.764 -1.905 -1.480 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.279 -0.730 -4.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -2.326 -1.069 -4.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.052 -0.174 -6.160 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -3.587 -0.335 -6.232 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.054 -3.492 -3.663 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.605 -4.151 -4.927 1.00 0.00 C ATOM 1264 C ARG A 78 -7.850 -3.233 -6.130 1.00 0.00 C ATOM 1265 O ARG A 78 -8.318 -2.120 -5.995 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.390 -5.449 -5.119 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.889 -5.147 -5.083 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.673 -6.420 -5.408 1.00 0.00 C ATOM 1269 NE ARG A 78 -10.467 -6.777 -6.840 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.490 -7.086 -7.589 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.132 -6.150 -8.232 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -11.867 -8.330 -7.697 1.00 0.00 N ATOM 0 H ARG A 78 -8.855 -2.867 -3.755 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.538 -4.360 -4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.124 -5.911 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.133 -6.162 -4.336 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.172 -4.774 -4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.131 -4.364 -5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.342 -7.237 -4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.734 -6.268 -5.209 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.526 -6.780 -7.235 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.834 -5.178 -8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.932 -6.390 -8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.362 -9.061 -7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.667 -8.572 -8.282 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.537 -3.704 -7.312 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.750 -2.875 -8.535 1.00 0.00 C ATOM 1288 C ILE A 79 -9.047 -3.313 -9.222 1.00 0.00 C ATOM 1289 O ILE A 79 -9.561 -4.383 -8.968 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.564 -3.053 -9.491 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.678 -4.395 -10.225 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -5.265 -3.031 -8.687 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.342 -4.731 -10.894 1.00 0.00 C ATOM 0 H ILE A 79 -7.142 -4.629 -7.481 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.826 -1.824 -8.258 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.567 -2.243 -10.221 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.953 -5.182 -9.523 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.469 -4.345 -10.974 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.418 -3.157 -9.361 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.176 -2.078 -8.166 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.274 -3.843 -7.959 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.426 -5.685 -11.415 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.086 -3.949 -11.609 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.562 -4.799 -10.135 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.585 -2.494 -10.085 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.851 -2.871 -10.776 1.00 0.00 C ATOM 1307 C ASP A 80 -10.593 -4.062 -11.706 1.00 0.00 C ATOM 1308 O ASP A 80 -9.501 -4.227 -12.212 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.365 -1.683 -11.590 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.263 -0.814 -10.708 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.083 -1.374 -9.999 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -12.116 0.396 -10.757 1.00 0.00 O ATOM 0 H ASP A 80 -9.204 -1.583 -10.341 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.600 -3.149 -10.034 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.527 -1.096 -11.966 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.921 -2.036 -12.458 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.613 -4.861 -11.894 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.541 -6.059 -12.748 1.00 0.00 C ATOM 1319 C PRO A 81 -11.637 -5.689 -14.233 1.00 0.00 C ATOM 1320 O PRO A 81 -10.859 -6.148 -15.045 1.00 0.00 O ATOM 1321 CB PRO A 81 -12.760 -6.879 -12.314 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.754 -5.882 -11.671 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.934 -4.643 -11.267 1.00 0.00 C ATOM 0 HA PRO A 81 -10.600 -6.598 -12.639 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.213 -7.382 -13.168 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.473 -7.654 -11.603 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.542 -5.613 -12.374 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.240 -6.325 -10.802 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.398 -3.724 -11.626 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.851 -4.556 -10.184 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.586 -4.871 -14.598 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.725 -4.493 -16.036 1.00 0.00 C ATOM 1333 C ALA A 82 -11.698 -3.418 -16.393 1.00 0.00 C ATOM 1334 O ALA A 82 -11.630 -2.965 -17.519 1.00 0.00 O ATOM 1335 CB ALA A 82 -14.138 -3.965 -16.295 1.00 0.00 C ATOM 0 H ALA A 82 -13.268 -4.449 -13.968 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.550 -5.372 -16.656 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.237 -3.690 -17.345 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.866 -4.739 -16.053 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.319 -3.089 -15.672 1.00 0.00 H new ATOM 1341 N SER A 83 -10.882 -3.021 -15.457 1.00 0.00 N ATOM 1342 CA SER A 83 -9.848 -1.999 -15.759 1.00 0.00 C ATOM 1343 C SER A 83 -8.478 -2.667 -15.687 1.00 0.00 C ATOM 1344 O SER A 83 -7.469 -2.077 -16.017 1.00 0.00 O ATOM 1345 CB SER A 83 -9.920 -0.868 -14.729 1.00 0.00 C ATOM 1346 OG SER A 83 -11.254 -0.383 -14.654 1.00 0.00 O ATOM 0 H SER A 83 -10.888 -3.362 -14.496 1.00 0.00 H new ATOM 0 HA SER A 83 -10.014 -1.582 -16.752 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.597 -1.229 -13.753 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.243 -0.061 -15.010 1.00 0.00 H new ATOM 0 HG SER A 83 -11.303 0.340 -13.994 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.443 -3.904 -15.264 1.00 0.00 N ATOM 1353 CA GLU A 84 -7.148 -4.621 -15.158 1.00 0.00 C ATOM 1354 C GLU A 84 -6.461 -4.622 -16.517 1.00 0.00 C ATOM 1355 O GLU A 84 -5.336 -4.189 -16.642 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.403 -6.061 -14.711 1.00 0.00 C ATOM 1357 CG GLU A 84 -6.124 -6.883 -14.881 1.00 0.00 C ATOM 1358 CD GLU A 84 -6.341 -7.943 -15.963 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -7.469 -8.385 -16.115 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -5.376 -8.295 -16.620 1.00 0.00 O ATOM 0 H GLU A 84 -9.261 -4.446 -14.988 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.509 -4.122 -14.429 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.723 -6.078 -13.669 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.210 -6.498 -15.300 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.294 -6.232 -15.155 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.857 -7.360 -13.938 1.00 0.00 H new ATOM 1367 N ALA A 85 -7.121 -5.084 -17.541 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.474 -5.077 -18.881 1.00 0.00 C ATOM 1369 C ALA A 85 -6.155 -3.631 -19.260 1.00 0.00 C ATOM 1370 O ALA A 85 -5.378 -3.366 -20.157 1.00 0.00 O ATOM 1371 CB ALA A 85 -7.417 -5.689 -19.921 1.00 0.00 C ATOM 0 H ALA A 85 -8.068 -5.462 -17.510 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.558 -5.667 -18.852 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.935 -5.680 -20.899 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.650 -6.716 -19.641 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.338 -5.107 -19.965 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.748 -2.691 -18.571 1.00 0.00 N ATOM 1378 CA LYS A 86 -6.482 -1.259 -18.872 1.00 0.00 C ATOM 1379 C LYS A 86 -5.335 -0.763 -17.983 1.00 0.00 C ATOM 1380 O LYS A 86 -4.333 -0.277 -18.468 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.756 -0.444 -18.603 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.406 1.027 -18.349 1.00 0.00 C ATOM 1383 CD LYS A 86 -6.543 1.561 -19.494 1.00 0.00 C ATOM 1384 CE LYS A 86 -5.482 2.508 -18.930 1.00 0.00 C ATOM 1385 NZ LYS A 86 -4.307 2.548 -19.846 1.00 0.00 N ATOM 0 H LYS A 86 -7.407 -2.857 -17.811 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.198 -1.140 -19.918 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.432 -0.522 -19.455 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.282 -0.853 -17.741 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.318 1.618 -18.263 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.873 1.125 -17.403 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.066 0.735 -20.021 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.165 2.085 -20.220 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.899 3.508 -18.813 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.172 2.174 -17.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.433 2.615 -19.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.285 1.681 -20.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.382 3.376 -20.471 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.472 -0.875 -16.688 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.379 -0.398 -15.790 1.00 0.00 C ATOM 1401 C LEU A 87 -3.068 -1.052 -16.187 1.00 0.00 C ATOM 1402 O LEU A 87 -2.096 -0.397 -16.503 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.684 -0.748 -14.327 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.451 -2.071 -14.221 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.681 -3.041 -13.330 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.818 -1.815 -13.584 1.00 0.00 C ATOM 0 H LEU A 87 -6.285 -1.272 -16.217 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.305 0.685 -15.890 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.752 -0.819 -13.766 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.269 0.052 -13.874 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.570 -2.494 -15.219 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.229 -3.981 -13.257 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.697 -3.227 -13.760 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.566 -2.609 -12.336 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.365 -2.754 -13.508 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.682 -1.392 -12.589 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.382 -1.116 -14.201 1.00 0.00 H new ATOM 1418 N VAL A 88 -3.038 -2.342 -16.166 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.804 -3.073 -16.532 1.00 0.00 C ATOM 1420 C VAL A 88 -1.128 -2.425 -17.742 1.00 0.00 C ATOM 1421 O VAL A 88 0.073 -2.501 -17.906 1.00 0.00 O ATOM 1422 CB VAL A 88 -2.193 -4.476 -16.911 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.779 -5.202 -15.699 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -3.232 -4.405 -18.029 1.00 0.00 C ATOM 0 H VAL A 88 -3.827 -2.934 -15.907 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.114 -3.057 -15.688 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.316 -5.026 -17.252 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.058 -6.217 -15.983 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.036 -5.239 -14.903 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.662 -4.668 -15.347 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.526 -5.414 -18.317 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.107 -3.858 -17.678 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.805 -3.892 -18.891 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.887 -1.808 -18.600 1.00 0.00 N ATOM 1435 CA GLU A 89 -1.276 -1.179 -19.807 1.00 0.00 C ATOM 1436 C GLU A 89 -0.152 -0.243 -19.366 1.00 0.00 C ATOM 1437 O GLU A 89 0.986 -0.403 -19.760 1.00 0.00 O ATOM 1438 CB GLU A 89 -2.338 -0.382 -20.567 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.953 -0.303 -22.047 1.00 0.00 C ATOM 1440 CD GLU A 89 -2.981 -1.066 -22.884 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -4.073 -0.551 -23.058 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -2.659 -2.152 -23.336 1.00 0.00 O ATOM 0 H GLU A 89 -2.899 -1.711 -18.521 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.876 -1.954 -20.461 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.313 -0.858 -20.458 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.425 0.621 -20.148 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.909 0.738 -22.367 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.960 -0.726 -22.198 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.447 0.715 -18.531 1.00 0.00 N ATOM 1450 CA GLN A 90 0.629 1.627 -18.056 1.00 0.00 C ATOM 1451 C GLN A 90 1.477 0.884 -17.018 1.00 0.00 C ATOM 1452 O GLN A 90 2.447 1.404 -16.503 1.00 0.00 O ATOM 1453 CB GLN A 90 0.009 2.876 -17.422 1.00 0.00 C ATOM 1454 CG GLN A 90 -0.832 2.474 -16.210 1.00 0.00 C ATOM 1455 CD GLN A 90 -1.867 3.564 -15.922 1.00 0.00 C ATOM 1456 OE1 GLN A 90 -1.569 4.548 -15.276 1.00 0.00 O ATOM 1457 NE2 GLN A 90 -3.082 3.428 -16.380 1.00 0.00 N ATOM 0 H GLN A 90 -1.378 0.904 -18.160 1.00 0.00 H new ATOM 0 HA GLN A 90 1.253 1.934 -18.895 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.793 3.569 -17.119 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.612 3.396 -18.151 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.332 1.524 -16.400 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.190 2.328 -15.341 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.333 2.602 -16.923 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.780 4.148 -16.195 1.00 0.00 H new ATOM 1466 N ALA A 91 1.114 -0.337 -16.711 1.00 0.00 N ATOM 1467 CA ALA A 91 1.887 -1.128 -15.714 1.00 0.00 C ATOM 1468 C ALA A 91 3.137 -1.716 -16.373 1.00 0.00 C ATOM 1469 O ALA A 91 4.252 -1.369 -16.036 1.00 0.00 O ATOM 1470 CB ALA A 91 1.015 -2.266 -15.183 1.00 0.00 C ATOM 0 H ALA A 91 0.310 -0.819 -17.113 1.00 0.00 H new ATOM 0 HA ALA A 91 2.185 -0.476 -14.893 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.579 -2.846 -14.453 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.126 -1.852 -14.708 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.718 -2.912 -16.009 1.00 0.00 H new ATOM 1476 N PHE A 92 2.958 -2.611 -17.306 1.00 0.00 N ATOM 1477 CA PHE A 92 4.130 -3.239 -17.985 1.00 0.00 C ATOM 1478 C PHE A 92 5.097 -2.161 -18.486 1.00 0.00 C ATOM 1479 O PHE A 92 6.268 -2.166 -18.157 1.00 0.00 O ATOM 1480 CB PHE A 92 3.639 -4.072 -19.173 1.00 0.00 C ATOM 1481 CG PHE A 92 2.614 -5.088 -18.709 1.00 0.00 C ATOM 1482 CD1 PHE A 92 2.433 -5.338 -17.342 1.00 0.00 C ATOM 1483 CD2 PHE A 92 1.845 -5.781 -19.652 1.00 0.00 C ATOM 1484 CE1 PHE A 92 1.485 -6.277 -16.920 1.00 0.00 C ATOM 1485 CE2 PHE A 92 0.896 -6.720 -19.230 1.00 0.00 C ATOM 1486 CZ PHE A 92 0.717 -6.968 -17.864 1.00 0.00 C ATOM 0 H PHE A 92 2.047 -2.936 -17.629 1.00 0.00 H new ATOM 0 HA PHE A 92 4.652 -3.877 -17.272 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.200 -3.420 -19.928 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.481 -4.581 -19.643 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.026 -4.805 -16.613 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.984 -5.591 -20.706 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.346 -6.468 -15.866 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.302 -7.253 -19.958 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.014 -7.693 -17.538 1.00 0.00 H new ATOM 1496 N ARG A 93 4.628 -1.244 -19.286 1.00 0.00 N ATOM 1497 CA ARG A 93 5.533 -0.180 -19.811 1.00 0.00 C ATOM 1498 C ARG A 93 5.467 1.052 -18.908 1.00 0.00 C ATOM 1499 O ARG A 93 4.461 1.326 -18.285 1.00 0.00 O ATOM 1500 CB ARG A 93 5.099 0.204 -21.228 1.00 0.00 C ATOM 1501 CG ARG A 93 6.329 0.280 -22.134 1.00 0.00 C ATOM 1502 CD ARG A 93 6.562 -1.081 -22.793 1.00 0.00 C ATOM 1503 NE ARG A 93 8.025 -1.302 -22.972 1.00 0.00 N ATOM 1504 CZ ARG A 93 8.609 -2.313 -22.388 1.00 0.00 C ATOM 1505 NH1 ARG A 93 8.248 -3.531 -22.683 1.00 0.00 N ATOM 1506 NH2 ARG A 93 9.553 -2.104 -21.512 1.00 0.00 N ATOM 0 H ARG A 93 3.659 -1.184 -19.599 1.00 0.00 H new ATOM 0 HA ARG A 93 6.556 -0.557 -19.829 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.393 -0.531 -21.616 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.584 1.165 -21.215 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.185 1.045 -22.897 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.205 0.569 -21.553 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.136 -1.873 -22.177 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.056 -1.121 -23.758 1.00 0.00 H new ATOM 0 HE ARG A 93 8.570 -0.663 -23.551 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.511 -3.692 -23.369 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.703 -4.322 -22.228 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.835 -1.151 -21.283 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.009 -2.894 -21.056 1.00 0.00 H new