USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -169:sc= 1.25 (180deg=0.914) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.0067) USER MOD Single : A 9 THR OG1 : rot -73:sc= 1.01 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 76:sc= 1.21 USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -140:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.759 K(o=0.76,f=-0.31) USER MOD Single : A 26 THR OG1 : rot -34:sc= 0.0319 USER MOD Single : A 34 LYS NZ :NH3+ -117:sc= -0.165 (180deg=-1.22) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.975 K(o=-0.98,f=-2.7!) USER MOD Single : A 43 THR OG1 : rot 88:sc= -0.492 USER MOD Single : A 46 SER OG : rot 180:sc= 0.021 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -1.44 F(o=-2.7,f=-1.4) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.655 -13.177 0.050 1.00 0.00 N ATOM 2 CA GLY A 1 -6.689 -12.294 -0.617 1.00 0.00 C ATOM 3 C GLY A 1 -5.289 -12.356 -0.016 1.00 0.00 C ATOM 4 O GLY A 1 -5.093 -12.062 1.162 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.526 -13.228 -0.515 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.247 -14.129 0.145 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.876 -12.800 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.634 -12.561 -1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.052 -11.268 -0.566 1.00 0.00 H new ATOM 8 N SER A 2 -4.263 -12.627 -0.831 1.00 0.00 N ATOM 9 CA SER A 2 -2.850 -12.500 -0.434 1.00 0.00 C ATOM 10 C SER A 2 -2.471 -11.035 -0.178 1.00 0.00 C ATOM 11 O SER A 2 -1.473 -10.711 0.468 1.00 0.00 O ATOM 12 CB SER A 2 -2.011 -13.060 -1.591 1.00 0.00 C ATOM 13 OG SER A 2 -0.726 -13.516 -1.201 1.00 0.00 O ATOM 0 H SER A 2 -4.388 -12.943 -1.793 1.00 0.00 H new ATOM 0 HA SER A 2 -2.671 -13.045 0.493 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.553 -13.884 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.896 -12.287 -2.351 1.00 0.00 H new ATOM 0 HG SER A 2 -0.249 -13.860 -1.985 1.00 0.00 H new ATOM 19 N GLU A 3 -3.278 -10.143 -0.728 1.00 0.00 N ATOM 20 CA GLU A 3 -3.100 -8.709 -0.715 1.00 0.00 C ATOM 21 C GLU A 3 -3.543 -8.166 0.653 1.00 0.00 C ATOM 22 O GLU A 3 -2.874 -7.308 1.219 1.00 0.00 O ATOM 23 CB GLU A 3 -3.925 -8.109 -1.866 1.00 0.00 C ATOM 24 CG GLU A 3 -3.773 -8.728 -3.275 1.00 0.00 C ATOM 25 CD GLU A 3 -4.244 -10.185 -3.390 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.332 -10.509 -2.848 1.00 0.00 O ATOM 27 OE2 GLU A 3 -3.451 -11.037 -3.845 1.00 0.00 O ATOM 0 H GLU A 3 -4.124 -10.422 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.055 -8.435 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.977 -8.169 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.674 -7.051 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.335 -8.122 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.725 -8.675 -3.569 1.00 0.00 H new ATOM 34 N GLU A 4 -4.611 -8.735 1.226 1.00 0.00 N ATOM 35 CA GLU A 4 -5.072 -8.453 2.593 1.00 0.00 C ATOM 36 C GLU A 4 -3.927 -8.719 3.571 1.00 0.00 C ATOM 37 O GLU A 4 -3.623 -7.918 4.451 1.00 0.00 O ATOM 38 CB GLU A 4 -6.262 -9.359 2.969 1.00 0.00 C ATOM 39 CG GLU A 4 -7.430 -9.314 1.983 1.00 0.00 C ATOM 40 CD GLU A 4 -8.534 -10.294 2.376 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.376 -11.507 2.102 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.564 -9.852 2.929 1.00 0.00 O ATOM 0 H GLU A 4 -5.192 -9.420 0.742 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.390 -7.412 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.909 -10.387 3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.625 -9.070 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.836 -8.303 1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.071 -9.551 0.982 1.00 0.00 H new ATOM 49 N HIS A 5 -3.234 -9.841 3.364 1.00 0.00 N ATOM 50 CA HIS A 5 -2.104 -10.226 4.195 1.00 0.00 C ATOM 51 C HIS A 5 -0.995 -9.181 4.102 1.00 0.00 C ATOM 52 O HIS A 5 -0.349 -8.913 5.115 1.00 0.00 O ATOM 53 CB HIS A 5 -1.634 -11.636 3.817 1.00 0.00 C ATOM 54 CG HIS A 5 -0.325 -12.119 4.397 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.456 -13.096 3.830 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.274 -11.748 5.572 1.00 0.00 C ATOM 57 CE1 HIS A 5 1.482 -13.329 4.661 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.439 -12.509 5.725 1.00 0.00 N ATOM 0 H HIS A 5 -3.444 -10.503 2.617 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.409 -10.261 5.241 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.412 -12.340 4.113 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.558 -11.684 2.731 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.089 -10.999 6.260 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.243 -14.077 4.497 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.115 -12.453 6.486 1.00 0.00 H new ATOM 66 N PHE A 6 -0.761 -8.563 2.938 1.00 0.00 N ATOM 67 CA PHE A 6 0.216 -7.491 2.861 1.00 0.00 C ATOM 68 C PHE A 6 -0.184 -6.305 3.752 1.00 0.00 C ATOM 69 O PHE A 6 0.652 -5.777 4.489 1.00 0.00 O ATOM 70 CB PHE A 6 0.461 -7.040 1.412 1.00 0.00 C ATOM 71 CG PHE A 6 1.726 -6.222 1.184 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.712 -6.077 2.178 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.932 -5.591 -0.053 1.00 0.00 C ATOM 74 CE1 PHE A 6 3.896 -5.371 1.937 1.00 0.00 C ATOM 75 CE2 PHE A 6 3.080 -4.796 -0.252 1.00 0.00 C ATOM 76 CZ PHE A 6 4.084 -4.718 0.718 1.00 0.00 C ATOM 0 H PHE A 6 -1.228 -8.786 2.059 1.00 0.00 H new ATOM 0 HA PHE A 6 1.158 -7.889 3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.502 -7.925 0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.395 -6.451 1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.551 -6.521 3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.214 -5.714 -0.850 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.665 -5.331 2.695 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.185 -4.237 -1.170 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.990 -4.162 0.527 1.00 0.00 H new ATOM 86 N VAL A 7 -1.454 -5.895 3.712 1.00 0.00 N ATOM 87 CA VAL A 7 -1.948 -4.815 4.562 1.00 0.00 C ATOM 88 C VAL A 7 -1.736 -5.166 6.035 1.00 0.00 C ATOM 89 O VAL A 7 -1.281 -4.318 6.804 1.00 0.00 O ATOM 90 CB VAL A 7 -3.416 -4.486 4.230 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.998 -3.420 5.163 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.508 -3.971 2.790 1.00 0.00 C ATOM 0 H VAL A 7 -2.160 -6.298 3.096 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.377 -3.908 4.363 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.991 -5.403 4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.034 -3.223 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.957 -3.776 6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.418 -2.502 5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.546 -3.738 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.901 -3.072 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.143 -4.737 2.106 1.00 0.00 H new ATOM 102 N GLU A 8 -2.019 -6.410 6.423 1.00 0.00 N ATOM 103 CA GLU A 8 -1.792 -6.864 7.786 1.00 0.00 C ATOM 104 C GLU A 8 -0.308 -6.762 8.135 1.00 0.00 C ATOM 105 O GLU A 8 0.031 -6.138 9.133 1.00 0.00 O ATOM 106 CB GLU A 8 -2.354 -8.275 8.011 1.00 0.00 C ATOM 107 CG GLU A 8 -2.212 -8.703 9.487 1.00 0.00 C ATOM 108 CD GLU A 8 -3.494 -9.312 10.061 1.00 0.00 C ATOM 109 OE1 GLU A 8 -4.468 -8.543 10.240 1.00 0.00 O ATOM 110 OE2 GLU A 8 -3.522 -10.513 10.415 1.00 0.00 O ATOM 0 H GLU A 8 -2.408 -7.122 5.804 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.336 -6.210 8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.404 -8.301 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.829 -8.985 7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.402 -9.428 9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.929 -7.837 10.085 1.00 0.00 H new ATOM 117 N THR A 9 0.590 -7.320 7.325 1.00 0.00 N ATOM 118 CA THR A 9 1.988 -7.438 7.702 1.00 0.00 C ATOM 119 C THR A 9 2.632 -6.066 7.905 1.00 0.00 C ATOM 120 O THR A 9 3.353 -5.867 8.890 1.00 0.00 O ATOM 121 CB THR A 9 2.771 -8.256 6.668 1.00 0.00 C ATOM 122 OG1 THR A 9 2.207 -8.306 5.372 1.00 0.00 O ATOM 123 CG2 THR A 9 2.968 -9.698 7.132 1.00 0.00 C ATOM 0 H THR A 9 0.369 -7.697 6.403 1.00 0.00 H new ATOM 0 HA THR A 9 2.024 -7.967 8.654 1.00 0.00 H new ATOM 0 HB THR A 9 3.715 -7.717 6.593 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.419 -8.888 5.381 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.526 -10.250 6.376 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.522 -9.706 8.071 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.996 -10.168 7.281 1.00 0.00 H new ATOM 131 N VAL A 10 2.367 -5.123 7.000 1.00 0.00 N ATOM 132 CA VAL A 10 2.889 -3.774 7.134 1.00 0.00 C ATOM 133 C VAL A 10 2.211 -3.069 8.312 1.00 0.00 C ATOM 134 O VAL A 10 2.886 -2.294 8.987 1.00 0.00 O ATOM 135 CB VAL A 10 2.760 -3.011 5.804 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.148 -1.547 5.923 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.678 -3.578 4.735 1.00 0.00 C ATOM 0 H VAL A 10 1.794 -5.274 6.170 1.00 0.00 H new ATOM 0 HA VAL A 10 3.955 -3.807 7.359 1.00 0.00 H new ATOM 0 HB VAL A 10 1.708 -3.116 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.037 -1.061 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.501 -1.057 6.651 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.185 -1.471 6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.556 -3.011 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.713 -3.508 5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.425 -4.623 4.555 1.00 0.00 H new ATOM 147 N SER A 11 0.940 -3.357 8.622 1.00 0.00 N ATOM 148 CA SER A 11 0.315 -2.858 9.839 1.00 0.00 C ATOM 149 C SER A 11 1.118 -3.274 11.063 1.00 0.00 C ATOM 150 O SER A 11 1.301 -2.464 11.975 1.00 0.00 O ATOM 151 CB SER A 11 -1.165 -3.274 9.902 1.00 0.00 C ATOM 152 OG SER A 11 -1.712 -3.449 11.200 1.00 0.00 O ATOM 0 H SER A 11 0.330 -3.934 8.042 1.00 0.00 H new ATOM 0 HA SER A 11 0.321 -1.768 9.827 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.755 -2.521 9.380 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.282 -4.208 9.352 1.00 0.00 H new ATOM 0 HG SER A 11 -2.654 -3.710 11.126 1.00 0.00 H new ATOM 158 N LEU A 12 1.645 -4.499 11.082 1.00 0.00 N ATOM 159 CA LEU A 12 2.411 -4.952 12.227 1.00 0.00 C ATOM 160 C LEU A 12 3.717 -4.173 12.326 1.00 0.00 C ATOM 161 O LEU A 12 4.073 -3.726 13.417 1.00 0.00 O ATOM 162 CB LEU A 12 2.696 -6.460 12.196 1.00 0.00 C ATOM 163 CG LEU A 12 1.444 -7.326 11.992 1.00 0.00 C ATOM 164 CD1 LEU A 12 1.853 -8.800 11.935 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.388 -7.118 13.082 1.00 0.00 C ATOM 0 H LEU A 12 1.554 -5.180 10.328 1.00 0.00 H new ATOM 0 HA LEU A 12 1.801 -4.764 13.110 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.405 -6.669 11.395 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.177 -6.748 13.131 1.00 0.00 H new ATOM 0 HG LEU A 12 0.986 -7.019 11.052 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.967 -9.418 11.790 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.543 -8.954 11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.341 -9.079 12.869 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.472 -7.757 12.882 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.812 -7.373 14.053 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.071 -6.075 13.088 1.00 0.00 H new ATOM 177 N ALA A 13 4.458 -4.044 11.222 1.00 0.00 N ATOM 178 CA ALA A 13 5.753 -3.369 11.219 1.00 0.00 C ATOM 179 C ALA A 13 5.624 -1.852 11.383 1.00 0.00 C ATOM 180 O ALA A 13 6.559 -1.208 11.852 1.00 0.00 O ATOM 181 CB ALA A 13 6.502 -3.700 9.925 1.00 0.00 C ATOM 0 H ALA A 13 4.176 -4.404 10.310 1.00 0.00 H new ATOM 0 HA ALA A 13 6.316 -3.734 12.078 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.468 -3.195 9.925 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.655 -4.777 9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.917 -3.363 9.069 1.00 0.00 H new ATOM 187 N GLY A 14 4.490 -1.270 10.996 1.00 0.00 N ATOM 188 CA GLY A 14 4.303 0.169 10.908 1.00 0.00 C ATOM 189 C GLY A 14 5.089 0.791 9.748 1.00 0.00 C ATOM 190 O GLY A 14 5.179 2.014 9.668 1.00 0.00 O ATOM 0 H GLY A 14 3.661 -1.801 10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.242 0.388 10.783 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.616 0.631 11.844 1.00 0.00 H new ATOM 194 N SER A 15 5.674 0.002 8.838 1.00 0.00 N ATOM 195 CA SER A 15 6.582 0.487 7.805 1.00 0.00 C ATOM 196 C SER A 15 6.930 -0.657 6.844 1.00 0.00 C ATOM 197 O SER A 15 6.585 -1.813 7.092 1.00 0.00 O ATOM 198 CB SER A 15 7.796 1.124 8.518 1.00 0.00 C ATOM 199 OG SER A 15 9.030 0.974 7.855 1.00 0.00 O ATOM 0 H SER A 15 5.524 -1.006 8.803 1.00 0.00 H new ATOM 0 HA SER A 15 6.132 1.256 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.601 2.188 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.882 0.688 9.513 1.00 0.00 H new ATOM 0 HG SER A 15 9.069 1.590 7.094 1.00 0.00 H new ATOM 205 N TYR A 16 7.593 -0.330 5.730 1.00 0.00 N ATOM 206 CA TYR A 16 8.135 -1.289 4.772 1.00 0.00 C ATOM 207 C TYR A 16 9.370 -0.694 4.102 1.00 0.00 C ATOM 208 O TYR A 16 9.249 0.362 3.482 1.00 0.00 O ATOM 209 CB TYR A 16 7.082 -1.587 3.698 1.00 0.00 C ATOM 210 CG TYR A 16 7.443 -2.737 2.785 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.049 -4.027 3.160 1.00 0.00 C ATOM 212 CD2 TYR A 16 8.128 -2.543 1.567 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.267 -5.106 2.301 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.356 -3.632 0.700 1.00 0.00 C ATOM 215 CZ TYR A 16 7.918 -4.925 1.066 1.00 0.00 C ATOM 216 OH TYR A 16 8.098 -5.990 0.237 1.00 0.00 O ATOM 0 H TYR A 16 7.771 0.639 5.466 1.00 0.00 H new ATOM 0 HA TYR A 16 8.403 -2.208 5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.133 -1.808 4.186 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.930 -0.692 3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.575 -4.188 4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.479 -1.558 1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.932 -6.092 2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.864 -3.478 -0.241 1.00 0.00 H new ATOM 0 HH TYR A 16 7.370 -6.633 0.368 1.00 0.00 H new ATOM 226 N ARG A 17 10.525 -1.366 4.144 1.00 0.00 N ATOM 227 CA ARG A 17 11.811 -0.932 3.579 1.00 0.00 C ATOM 228 C ARG A 17 12.272 0.426 4.132 1.00 0.00 C ATOM 229 O ARG A 17 13.049 0.492 5.083 1.00 0.00 O ATOM 230 CB ARG A 17 11.788 -0.937 2.036 1.00 0.00 C ATOM 231 CG ARG A 17 11.614 -2.329 1.415 1.00 0.00 C ATOM 232 CD ARG A 17 12.872 -2.774 0.667 1.00 0.00 C ATOM 233 NE ARG A 17 13.966 -3.081 1.597 1.00 0.00 N ATOM 234 CZ ARG A 17 15.169 -3.562 1.269 1.00 0.00 C ATOM 235 NH1 ARG A 17 15.608 -3.606 0.018 1.00 0.00 N ATOM 236 NH2 ARG A 17 15.922 -4.044 2.242 1.00 0.00 N ATOM 0 H ARG A 17 10.594 -2.277 4.597 1.00 0.00 H new ATOM 0 HA ARG A 17 12.551 -1.666 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.977 -0.295 1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.717 -0.501 1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.381 -3.051 2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.767 -2.319 0.729 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.647 -3.654 0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.186 -1.988 -0.020 1.00 0.00 H new ATOM 0 HE ARG A 17 13.791 -2.911 2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.019 -3.264 -0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.534 -3.982 -0.185 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.579 -4.040 3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.847 -4.420 2.033 1.00 0.00 H new ATOM 250 N ASP A 18 11.773 1.496 3.518 1.00 0.00 N ATOM 251 CA ASP A 18 12.131 2.910 3.651 1.00 0.00 C ATOM 252 C ASP A 18 10.856 3.763 3.743 1.00 0.00 C ATOM 253 O ASP A 18 10.919 4.993 3.735 1.00 0.00 O ATOM 254 CB ASP A 18 12.944 3.343 2.417 1.00 0.00 C ATOM 255 CG ASP A 18 14.375 2.816 2.430 1.00 0.00 C ATOM 256 OD1 ASP A 18 14.580 1.603 2.205 1.00 0.00 O ATOM 257 OD2 ASP A 18 15.320 3.617 2.614 1.00 0.00 O ATOM 0 H ASP A 18 11.022 1.382 2.837 1.00 0.00 H new ATOM 0 HA ASP A 18 12.724 3.050 4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.441 2.991 1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.964 4.432 2.366 1.00 0.00 H new ATOM 262 N TRP A 19 9.686 3.114 3.767 1.00 0.00 N ATOM 263 CA TRP A 19 8.363 3.700 3.818 1.00 0.00 C ATOM 264 C TRP A 19 7.801 3.490 5.220 1.00 0.00 C ATOM 265 O TRP A 19 8.263 2.619 5.957 1.00 0.00 O ATOM 266 CB TRP A 19 7.425 3.018 2.801 1.00 0.00 C ATOM 267 CG TRP A 19 7.818 2.986 1.353 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.893 2.366 0.822 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.112 3.571 0.222 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.928 2.550 -0.543 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.857 3.315 -0.967 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.914 4.302 0.093 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.422 3.775 -2.220 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.481 4.787 -1.146 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.233 4.521 -2.305 1.00 0.00 C ATOM 0 H TRP A 19 9.648 2.095 3.750 1.00 0.00 H new ATOM 0 HA TRP A 19 8.431 4.761 3.576 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.282 1.987 3.126 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.455 3.510 2.867 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.623 1.805 1.387 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.648 2.172 -1.159 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.316 4.492 0.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.995 3.558 -3.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.571 5.365 -1.213 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.896 4.891 -3.262 1.00 0.00 H new ATOM 286 N SER A 20 6.718 4.185 5.521 1.00 0.00 N ATOM 287 CA SER A 20 5.981 4.201 6.775 1.00 0.00 C ATOM 288 C SER A 20 4.562 3.766 6.451 1.00 0.00 C ATOM 289 O SER A 20 4.023 4.193 5.433 1.00 0.00 O ATOM 290 CB SER A 20 5.973 5.637 7.320 1.00 0.00 C ATOM 291 OG SER A 20 6.941 5.759 8.347 1.00 0.00 O ATOM 0 H SER A 20 6.294 4.808 4.834 1.00 0.00 H new ATOM 0 HA SER A 20 6.428 3.542 7.519 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.188 6.343 6.518 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.984 5.885 7.706 1.00 0.00 H new ATOM 0 HG SER A 20 6.937 6.676 8.693 1.00 0.00 H new ATOM 297 N TYR A 21 3.949 2.928 7.282 1.00 0.00 N ATOM 298 CA TYR A 21 2.512 2.684 7.248 1.00 0.00 C ATOM 299 C TYR A 21 1.780 3.989 7.582 1.00 0.00 C ATOM 300 O TYR A 21 2.383 4.999 7.953 1.00 0.00 O ATOM 301 CB TYR A 21 2.182 1.543 8.228 1.00 0.00 C ATOM 302 CG TYR A 21 0.753 1.013 8.225 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.214 0.363 7.094 1.00 0.00 C ATOM 304 CD2 TYR A 21 -0.035 1.139 9.385 1.00 0.00 C ATOM 305 CE1 TYR A 21 -1.104 -0.138 7.117 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.351 0.647 9.411 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.899 0.020 8.274 1.00 0.00 C ATOM 308 OH TYR A 21 -3.181 -0.439 8.313 1.00 0.00 O ATOM 0 H TYR A 21 4.439 2.397 8.002 1.00 0.00 H new ATOM 0 HA TYR A 21 2.181 2.371 6.258 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.852 0.710 8.014 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.413 1.887 9.236 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.815 0.248 6.204 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.375 1.618 10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.505 -0.642 6.250 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.945 0.750 10.307 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.572 -0.243 9.190 1.00 0.00 H new ATOM 318 N SER A 22 0.474 3.994 7.376 1.00 0.00 N ATOM 319 CA SER A 22 -0.457 5.039 7.728 1.00 0.00 C ATOM 320 C SER A 22 -1.671 4.335 8.333 1.00 0.00 C ATOM 321 O SER A 22 -1.580 3.831 9.447 1.00 0.00 O ATOM 322 CB SER A 22 -0.710 5.917 6.505 1.00 0.00 C ATOM 323 OG SER A 22 0.482 6.606 6.180 1.00 0.00 O ATOM 0 H SER A 22 0.008 3.207 6.925 1.00 0.00 H new ATOM 0 HA SER A 22 -0.094 5.742 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.033 5.306 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.512 6.627 6.710 1.00 0.00 H new ATOM 0 HG SER A 22 0.267 7.525 5.914 1.00 0.00 H new ATOM 329 N GLY A 23 -2.816 4.342 7.655 1.00 0.00 N ATOM 330 CA GLY A 23 -4.049 3.801 8.205 1.00 0.00 C ATOM 331 C GLY A 23 -5.001 4.949 8.458 1.00 0.00 C ATOM 332 O GLY A 23 -5.510 5.153 9.561 1.00 0.00 O ATOM 0 H GLY A 23 -2.912 4.722 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.492 3.086 7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.848 3.264 9.132 1.00 0.00 H new ATOM 336 N GLN A 24 -5.207 5.752 7.419 1.00 0.00 N ATOM 337 CA GLN A 24 -6.158 6.832 7.420 1.00 0.00 C ATOM 338 C GLN A 24 -7.009 6.696 6.182 1.00 0.00 C ATOM 339 O GLN A 24 -6.506 6.694 5.061 1.00 0.00 O ATOM 340 CB GLN A 24 -5.417 8.161 7.488 1.00 0.00 C ATOM 341 CG GLN A 24 -6.390 9.342 7.501 1.00 0.00 C ATOM 342 CD GLN A 24 -7.473 9.183 8.571 1.00 0.00 C ATOM 343 OE1 GLN A 24 -7.185 9.005 9.750 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.732 9.077 8.190 1.00 0.00 N ATOM 0 H GLN A 24 -4.701 5.659 6.538 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.812 6.796 8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.797 8.188 8.384 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.746 8.250 6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.838 10.265 7.679 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.859 9.436 6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.983 9.223 7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.454 8.849 8.873 1.00 0.00 H new ATOM 353 N ARG A 25 -8.298 6.494 6.411 1.00 0.00 N ATOM 354 CA ARG A 25 -9.290 6.364 5.368 1.00 0.00 C ATOM 355 C ARG A 25 -9.590 7.762 4.856 1.00 0.00 C ATOM 356 O ARG A 25 -9.761 8.692 5.646 1.00 0.00 O ATOM 357 CB ARG A 25 -10.548 5.672 5.909 1.00 0.00 C ATOM 358 CG ARG A 25 -10.240 4.464 6.807 1.00 0.00 C ATOM 359 CD ARG A 25 -11.520 3.844 7.368 1.00 0.00 C ATOM 360 NE ARG A 25 -11.300 2.467 7.847 1.00 0.00 N ATOM 361 CZ ARG A 25 -10.385 2.024 8.720 1.00 0.00 C ATOM 362 NH1 ARG A 25 -9.731 2.848 9.537 1.00 0.00 N ATOM 363 NH2 ARG A 25 -10.117 0.729 8.751 1.00 0.00 N ATOM 0 H ARG A 25 -8.687 6.415 7.351 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.923 5.744 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.137 6.395 6.474 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.163 5.345 5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.691 3.715 6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.594 4.775 7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.892 4.458 8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.290 3.841 6.597 1.00 0.00 H new ATOM 0 HE ARG A 25 -11.926 1.759 7.464 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.921 3.850 9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.040 2.477 10.190 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.603 0.092 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.424 0.367 9.407 1.00 0.00 H new ATOM 377 N THR A 26 -9.659 7.915 3.552 1.00 0.00 N ATOM 378 CA THR A 26 -9.988 9.146 2.862 1.00 0.00 C ATOM 379 C THR A 26 -11.012 8.765 1.795 1.00 0.00 C ATOM 380 O THR A 26 -11.428 7.605 1.715 1.00 0.00 O ATOM 381 CB THR A 26 -8.712 9.822 2.305 1.00 0.00 C ATOM 382 OG1 THR A 26 -8.210 9.164 1.156 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.555 9.892 3.311 1.00 0.00 C ATOM 0 H THR A 26 -9.478 7.144 2.909 1.00 0.00 H new ATOM 0 HA THR A 26 -10.420 9.897 3.523 1.00 0.00 H new ATOM 0 HB THR A 26 -9.047 10.831 2.065 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.374 8.201 1.233 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.698 10.379 2.846 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.867 10.464 4.185 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.278 8.883 3.617 1.00 0.00 H new ATOM 391 N GLU A 27 -11.442 9.703 0.964 1.00 0.00 N ATOM 392 CA GLU A 27 -12.188 9.375 -0.243 1.00 0.00 C ATOM 393 C GLU A 27 -11.446 8.375 -1.130 1.00 0.00 C ATOM 394 O GLU A 27 -12.053 7.434 -1.641 1.00 0.00 O ATOM 395 CB GLU A 27 -12.498 10.646 -1.033 1.00 0.00 C ATOM 396 CG GLU A 27 -11.371 11.694 -1.143 1.00 0.00 C ATOM 397 CD GLU A 27 -11.534 12.807 -0.108 1.00 0.00 C ATOM 398 OE1 GLU A 27 -11.280 12.558 1.094 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.983 13.914 -0.472 1.00 0.00 O ATOM 0 H GLU A 27 -11.287 10.701 1.104 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.119 8.903 0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.790 10.355 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.364 11.126 -0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.406 11.207 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.371 12.125 -2.144 1.00 0.00 H new ATOM 406 N LEU A 28 -10.137 8.576 -1.304 1.00 0.00 N ATOM 407 CA LEU A 28 -9.326 7.944 -2.346 1.00 0.00 C ATOM 408 C LEU A 28 -8.950 6.521 -1.999 1.00 0.00 C ATOM 409 O LEU A 28 -8.295 5.860 -2.809 1.00 0.00 O ATOM 410 CB LEU A 28 -8.089 8.823 -2.635 1.00 0.00 C ATOM 411 CG LEU A 28 -8.450 10.210 -3.218 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.417 11.257 -2.793 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.588 10.210 -4.744 1.00 0.00 C ATOM 0 H LEU A 28 -9.597 9.201 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.923 7.872 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.525 8.959 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.436 8.301 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.428 10.464 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.687 12.226 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.395 11.326 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.432 10.966 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.842 11.213 -5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.645 9.901 -5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.375 9.516 -5.038 1.00 0.00 H new ATOM 425 N GLY A 29 -9.387 6.051 -0.836 1.00 0.00 N ATOM 426 CA GLY A 29 -8.969 4.782 -0.297 1.00 0.00 C ATOM 427 C GLY A 29 -8.488 4.965 1.131 1.00 0.00 C ATOM 428 O GLY A 29 -8.814 5.964 1.767 1.00 0.00 O ATOM 0 H GLY A 29 -10.048 6.553 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.797 4.074 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.171 4.362 -0.909 1.00 0.00 H new ATOM 432 N VAL A 30 -7.749 4.002 1.667 1.00 0.00 N ATOM 433 CA VAL A 30 -7.021 4.190 2.917 1.00 0.00 C ATOM 434 C VAL A 30 -5.531 4.287 2.588 1.00 0.00 C ATOM 435 O VAL A 30 -5.017 3.545 1.749 1.00 0.00 O ATOM 436 CB VAL A 30 -7.463 3.145 3.963 1.00 0.00 C ATOM 437 CG1 VAL A 30 -7.577 1.742 3.385 1.00 0.00 C ATOM 438 CG2 VAL A 30 -6.556 3.099 5.200 1.00 0.00 C ATOM 0 H VAL A 30 -7.637 3.077 1.253 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.260 5.129 3.416 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.452 3.484 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.891 1.051 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.313 1.739 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.609 1.430 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.925 2.343 5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.540 2.848 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.559 4.073 5.690 1.00 0.00 H new ATOM 448 N GLU A 31 -4.858 5.271 3.186 1.00 0.00 N ATOM 449 CA GLU A 31 -3.429 5.522 3.050 1.00 0.00 C ATOM 450 C GLU A 31 -2.657 4.273 3.498 1.00 0.00 C ATOM 451 O GLU A 31 -2.795 3.832 4.645 1.00 0.00 O ATOM 452 CB GLU A 31 -3.035 6.713 3.945 1.00 0.00 C ATOM 453 CG GLU A 31 -3.464 8.112 3.497 1.00 0.00 C ATOM 454 CD GLU A 31 -2.832 9.213 4.376 1.00 0.00 C ATOM 455 OE1 GLU A 31 -2.348 8.936 5.504 1.00 0.00 O ATOM 456 OE2 GLU A 31 -2.814 10.382 3.936 1.00 0.00 O ATOM 0 H GLU A 31 -5.316 5.941 3.804 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.190 5.751 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.448 6.537 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.950 6.711 4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.175 8.266 2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.550 8.191 3.540 1.00 0.00 H new ATOM 463 N PHE A 32 -1.833 3.725 2.604 1.00 0.00 N ATOM 464 CA PHE A 32 -0.952 2.596 2.846 1.00 0.00 C ATOM 465 C PHE A 32 0.391 3.054 3.364 1.00 0.00 C ATOM 466 O PHE A 32 0.559 3.561 4.469 1.00 0.00 O ATOM 467 CB PHE A 32 -1.034 1.547 1.696 1.00 0.00 C ATOM 468 CG PHE A 32 -0.595 0.101 2.008 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.597 -0.434 3.319 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.190 -0.753 0.958 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.125 -1.737 3.575 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.272 -2.062 1.217 1.00 0.00 C ATOM 473 CZ PHE A 32 0.336 -2.559 2.532 1.00 0.00 C ATOM 0 H PHE A 32 -1.763 4.077 1.649 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.295 1.988 3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.065 1.515 1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.426 1.910 0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.967 0.167 4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.235 -0.398 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.117 -2.110 4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.580 -2.690 0.395 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.728 -3.545 2.734 1.00 0.00 H new ATOM 483 N LEU A 33 1.343 2.827 2.510 1.00 0.00 N ATOM 484 CA LEU A 33 2.747 3.142 2.678 1.00 0.00 C ATOM 485 C LEU A 33 2.956 4.558 2.166 1.00 0.00 C ATOM 486 O LEU A 33 2.743 4.843 0.986 1.00 0.00 O ATOM 487 CB LEU A 33 3.714 2.158 1.982 1.00 0.00 C ATOM 488 CG LEU A 33 3.948 0.812 2.695 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.411 1.013 4.142 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.715 -0.067 2.575 1.00 0.00 C ATOM 0 H LEU A 33 1.155 2.385 1.610 1.00 0.00 H new ATOM 0 HA LEU A 33 2.988 3.051 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.333 1.954 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.677 2.653 1.861 1.00 0.00 H new ATOM 0 HG LEU A 33 4.764 0.287 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.566 0.042 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.346 1.573 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.651 1.567 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.893 -1.015 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.864 0.436 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.502 -0.254 1.522 1.00 0.00 H new ATOM 502 N LYS A 34 3.427 5.434 3.040 1.00 0.00 N ATOM 503 CA LYS A 34 3.900 6.764 2.722 1.00 0.00 C ATOM 504 C LYS A 34 5.417 6.768 2.776 1.00 0.00 C ATOM 505 O LYS A 34 6.004 6.259 3.732 1.00 0.00 O ATOM 506 CB LYS A 34 3.308 7.758 3.732 1.00 0.00 C ATOM 507 CG LYS A 34 1.875 8.137 3.332 1.00 0.00 C ATOM 508 CD LYS A 34 1.380 9.573 3.605 1.00 0.00 C ATOM 509 CE LYS A 34 2.283 10.709 3.088 1.00 0.00 C ATOM 510 NZ LYS A 34 3.281 11.143 4.083 1.00 0.00 N ATOM 0 H LYS A 34 3.491 5.223 4.036 1.00 0.00 H new ATOM 0 HA LYS A 34 3.585 7.059 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.310 7.318 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.928 8.653 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.771 7.950 2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.198 7.452 3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.393 9.687 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.257 9.695 4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.797 10.377 2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.663 11.560 2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.107 12.136 4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.205 10.548 4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.235 11.051 3.680 1.00 0.00 H new ATOM 524 N ARG A 35 6.071 7.333 1.768 1.00 0.00 N ATOM 525 CA ARG A 35 7.504 7.591 1.783 1.00 0.00 C ATOM 526 C ARG A 35 7.738 8.882 1.042 1.00 0.00 C ATOM 527 O ARG A 35 7.311 8.976 -0.102 1.00 0.00 O ATOM 528 CB ARG A 35 8.243 6.458 1.076 1.00 0.00 C ATOM 529 CG ARG A 35 9.751 6.685 0.967 1.00 0.00 C ATOM 530 CD ARG A 35 10.371 5.536 0.187 1.00 0.00 C ATOM 531 NE ARG A 35 11.688 5.898 -0.349 1.00 0.00 N ATOM 532 CZ ARG A 35 12.324 5.220 -1.306 1.00 0.00 C ATOM 533 NH1 ARG A 35 11.749 4.159 -1.857 1.00 0.00 N ATOM 534 NH2 ARG A 35 13.525 5.612 -1.711 1.00 0.00 N ATOM 0 H ARG A 35 5.613 7.629 0.906 1.00 0.00 H new ATOM 0 HA ARG A 35 7.870 7.658 2.808 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.062 5.527 1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.829 6.334 0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.954 7.632 0.467 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.195 6.748 1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.468 4.665 0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.710 5.252 -0.631 1.00 0.00 H new ATOM 0 HE ARG A 35 12.148 6.723 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.823 3.863 -1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.233 3.639 -2.589 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.962 6.432 -1.291 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.011 5.093 -2.443 1.00 0.00 H new ATOM 548 N GLY A 36 8.455 9.826 1.639 1.00 0.00 N ATOM 549 CA GLY A 36 8.783 11.094 1.022 1.00 0.00 C ATOM 550 C GLY A 36 7.518 11.741 0.490 1.00 0.00 C ATOM 551 O GLY A 36 6.640 12.130 1.253 1.00 0.00 O ATOM 0 H GLY A 36 8.829 9.725 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.262 11.751 1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.495 10.942 0.211 1.00 0.00 H new ATOM 555 N ASP A 37 7.395 11.789 -0.824 1.00 0.00 N ATOM 556 CA ASP A 37 6.335 12.415 -1.598 1.00 0.00 C ATOM 557 C ASP A 37 5.556 11.374 -2.414 1.00 0.00 C ATOM 558 O ASP A 37 4.906 11.702 -3.403 1.00 0.00 O ATOM 559 CB ASP A 37 6.982 13.491 -2.486 1.00 0.00 C ATOM 560 CG ASP A 37 7.889 12.929 -3.588 1.00 0.00 C ATOM 561 OD1 ASP A 37 8.663 11.982 -3.296 1.00 0.00 O ATOM 562 OD2 ASP A 37 7.929 13.524 -4.689 1.00 0.00 O ATOM 0 H ASP A 37 8.092 11.355 -1.429 1.00 0.00 H new ATOM 0 HA ASP A 37 5.602 12.882 -0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.195 14.088 -2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.566 14.163 -1.857 1.00 0.00 H new ATOM 567 N LYS A 38 5.612 10.107 -1.998 1.00 0.00 N ATOM 568 CA LYS A 38 4.915 8.973 -2.585 1.00 0.00 C ATOM 569 C LYS A 38 3.913 8.482 -1.554 1.00 0.00 C ATOM 570 O LYS A 38 4.243 8.397 -0.361 1.00 0.00 O ATOM 571 CB LYS A 38 5.932 7.867 -2.936 1.00 0.00 C ATOM 572 CG LYS A 38 7.097 8.322 -3.826 1.00 0.00 C ATOM 573 CD LYS A 38 6.704 8.922 -5.179 1.00 0.00 C ATOM 574 CE LYS A 38 6.127 7.895 -6.158 1.00 0.00 C ATOM 575 NZ LYS A 38 6.010 8.451 -7.523 1.00 0.00 N ATOM 0 H LYS A 38 6.180 9.835 -1.195 1.00 0.00 H new ATOM 0 HA LYS A 38 4.400 9.253 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.338 7.460 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.406 7.055 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.682 9.061 -3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.749 7.467 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.970 9.711 -5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.580 9.389 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.765 7.012 -6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.146 7.572 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.616 7.729 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.381 9.279 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.950 8.736 -7.863 1.00 0.00 H new ATOM 589 N ILE A 39 2.707 8.145 -2.007 1.00 0.00 N ATOM 590 CA ILE A 39 1.626 7.623 -1.174 1.00 0.00 C ATOM 591 C ILE A 39 0.984 6.453 -1.897 1.00 0.00 C ATOM 592 O ILE A 39 0.289 6.631 -2.899 1.00 0.00 O ATOM 593 CB ILE A 39 0.576 8.692 -0.808 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.281 9.911 -0.185 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.460 8.052 0.151 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.342 11.027 0.254 1.00 0.00 C ATOM 0 H ILE A 39 2.448 8.230 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 39 2.052 7.296 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 39 0.047 9.046 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.859 9.579 0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.990 10.313 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.212 8.793 0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.943 7.210 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.045 7.702 1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.923 11.845 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.218 11.391 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.352 10.645 1.003 1.00 0.00 H new ATOM 608 N VAL A 40 1.210 5.248 -1.382 1.00 0.00 N ATOM 609 CA VAL A 40 0.432 4.094 -1.778 1.00 0.00 C ATOM 610 C VAL A 40 -0.880 4.172 -0.996 1.00 0.00 C ATOM 611 O VAL A 40 -0.898 4.579 0.166 1.00 0.00 O ATOM 612 CB VAL A 40 1.215 2.794 -1.483 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.550 1.532 -2.052 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.636 2.838 -2.051 1.00 0.00 C ATOM 0 H VAL A 40 1.930 5.052 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 40 0.228 4.086 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 40 1.228 2.738 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.155 0.659 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.444 1.418 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.466 1.622 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.149 1.904 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.592 2.970 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.180 3.671 -1.606 1.00 0.00 H new ATOM 624 N TYR A 41 -1.968 3.727 -1.602 1.00 0.00 N ATOM 625 CA TYR A 41 -3.284 3.520 -1.029 1.00 0.00 C ATOM 626 C TYR A 41 -3.593 2.032 -1.152 1.00 0.00 C ATOM 627 O TYR A 41 -3.014 1.344 -2.000 1.00 0.00 O ATOM 628 CB TYR A 41 -4.302 4.356 -1.817 1.00 0.00 C ATOM 629 CG TYR A 41 -4.170 5.843 -1.559 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.165 6.559 -2.234 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.009 6.502 -0.633 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.045 7.942 -2.052 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.843 7.879 -0.387 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.889 8.613 -1.139 1.00 0.00 C ATOM 635 OH TYR A 41 -3.766 9.962 -1.006 1.00 0.00 O ATOM 0 H TYR A 41 -1.950 3.481 -2.592 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.328 3.825 0.017 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.175 4.165 -2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.310 4.035 -1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.485 6.041 -2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.778 5.950 -0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.306 8.497 -2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.437 8.372 0.368 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.412 10.286 -0.344 1.00 0.00 H new ATOM 645 N HIS A 42 -4.519 1.539 -0.337 1.00 0.00 N ATOM 646 CA HIS A 42 -5.111 0.225 -0.512 1.00 0.00 C ATOM 647 C HIS A 42 -6.627 0.361 -0.388 1.00 0.00 C ATOM 648 O HIS A 42 -7.128 1.348 0.173 1.00 0.00 O ATOM 649 CB HIS A 42 -4.491 -0.782 0.470 1.00 0.00 C ATOM 650 CG HIS A 42 -4.919 -0.662 1.914 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.070 -1.182 2.468 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.185 -0.121 2.935 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.012 -0.972 3.795 1.00 0.00 C ATOM 654 NE2 HIS A 42 -4.884 -0.321 4.126 1.00 0.00 N ATOM 0 H HIS A 42 -4.881 2.048 0.470 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.897 -0.175 -1.503 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.731 -1.788 0.125 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.407 -0.680 0.425 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.827 -1.642 1.963 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.231 0.375 2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.769 -1.284 4.499 1.00 0.00 H new ATOM 662 N THR A 43 -7.370 -0.610 -0.914 1.00 0.00 N ATOM 663 CA THR A 43 -8.822 -0.580 -0.837 1.00 0.00 C ATOM 664 C THR A 43 -9.293 -1.161 0.497 1.00 0.00 C ATOM 665 O THR A 43 -8.599 -1.953 1.147 1.00 0.00 O ATOM 666 CB THR A 43 -9.438 -1.263 -2.071 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.957 -2.572 -2.234 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.056 -0.490 -3.335 1.00 0.00 C ATOM 0 H THR A 43 -6.988 -1.424 -1.396 1.00 0.00 H new ATOM 0 HA THR A 43 -9.176 0.451 -0.858 1.00 0.00 H new ATOM 0 HB THR A 43 -10.517 -1.281 -1.918 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.518 -3.193 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.494 -0.977 -4.206 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.430 0.531 -3.264 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.971 -0.473 -3.437 1.00 0.00 H new ATOM 676 N LEU A 44 -10.489 -0.747 0.917 1.00 0.00 N ATOM 677 CA LEU A 44 -11.128 -1.176 2.165 1.00 0.00 C ATOM 678 C LEU A 44 -11.683 -2.609 2.113 1.00 0.00 C ATOM 679 O LEU A 44 -12.051 -3.148 3.156 1.00 0.00 O ATOM 680 CB LEU A 44 -12.295 -0.229 2.489 1.00 0.00 C ATOM 681 CG LEU A 44 -11.949 1.264 2.637 1.00 0.00 C ATOM 682 CD1 LEU A 44 -13.247 2.064 2.776 1.00 0.00 C ATOM 683 CD2 LEU A 44 -11.044 1.565 3.832 1.00 0.00 C ATOM 0 H LEU A 44 -11.056 -0.087 0.386 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.352 -1.149 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.044 -0.329 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.759 -0.565 3.416 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.396 1.552 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.012 3.123 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.863 1.915 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.792 1.724 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.841 2.635 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.539 1.253 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.105 1.022 3.723 1.00 0.00 H new ATOM 695 N GLU A 45 -11.788 -3.199 0.922 1.00 0.00 N ATOM 696 CA GLU A 45 -12.416 -4.497 0.659 1.00 0.00 C ATOM 697 C GLU A 45 -11.513 -5.365 -0.225 1.00 0.00 C ATOM 698 O GLU A 45 -10.477 -4.895 -0.703 1.00 0.00 O ATOM 699 CB GLU A 45 -13.781 -4.272 -0.015 1.00 0.00 C ATOM 700 CG GLU A 45 -14.837 -3.742 0.962 1.00 0.00 C ATOM 701 CD GLU A 45 -16.182 -3.557 0.261 1.00 0.00 C ATOM 702 OE1 GLU A 45 -16.337 -2.542 -0.468 1.00 0.00 O ATOM 703 OE2 GLU A 45 -17.074 -4.414 0.455 1.00 0.00 O ATOM 0 H GLU A 45 -11.421 -2.766 0.074 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.563 -5.023 1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.665 -3.566 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.129 -5.210 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.949 -4.436 1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.507 -2.792 1.381 1.00 0.00 H new ATOM 710 N SER A 46 -11.909 -6.631 -0.423 1.00 0.00 N ATOM 711 CA SER A 46 -11.195 -7.641 -1.190 1.00 0.00 C ATOM 712 C SER A 46 -11.743 -7.752 -2.631 1.00 0.00 C ATOM 713 O SER A 46 -12.968 -7.764 -2.804 1.00 0.00 O ATOM 714 CB SER A 46 -11.285 -9.002 -0.480 1.00 0.00 C ATOM 715 OG SER A 46 -12.566 -9.236 0.096 1.00 0.00 O ATOM 0 H SER A 46 -12.780 -6.987 -0.030 1.00 0.00 H new ATOM 0 HA SER A 46 -10.150 -7.337 -1.255 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.061 -9.795 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.525 -9.051 0.300 1.00 0.00 H new ATOM 0 HG SER A 46 -12.573 -10.113 0.533 1.00 0.00 H new ATOM 721 N PRO A 47 -10.889 -7.971 -3.651 1.00 0.00 N ATOM 722 CA PRO A 47 -9.446 -7.929 -3.539 1.00 0.00 C ATOM 723 C PRO A 47 -8.976 -6.532 -3.173 1.00 0.00 C ATOM 724 O PRO A 47 -9.515 -5.522 -3.630 1.00 0.00 O ATOM 725 CB PRO A 47 -8.853 -8.358 -4.876 1.00 0.00 C ATOM 726 CG PRO A 47 -9.999 -8.182 -5.861 1.00 0.00 C ATOM 727 CD PRO A 47 -11.280 -8.219 -5.026 1.00 0.00 C ATOM 0 HA PRO A 47 -9.116 -8.604 -2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.995 -7.743 -5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.508 -9.391 -4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.910 -7.238 -6.398 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.997 -8.976 -6.608 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.988 -7.464 -5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.775 -9.186 -5.119 1.00 0.00 H new ATOM 735 N VAL A 48 -7.967 -6.531 -2.315 1.00 0.00 N ATOM 736 CA VAL A 48 -7.254 -5.339 -1.958 1.00 0.00 C ATOM 737 C VAL A 48 -6.408 -4.995 -3.168 1.00 0.00 C ATOM 738 O VAL A 48 -5.459 -5.709 -3.493 1.00 0.00 O ATOM 739 CB VAL A 48 -6.454 -5.509 -0.671 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.673 -4.229 -0.374 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.390 -5.810 0.504 1.00 0.00 C ATOM 0 H VAL A 48 -7.626 -7.372 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.928 -4.515 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.763 -6.342 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.103 -4.356 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.990 -4.020 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.368 -3.397 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.804 -5.929 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.093 -4.986 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.940 -6.729 0.304 1.00 0.00 H new ATOM 751 N GLU A 49 -6.803 -3.934 -3.851 1.00 0.00 N ATOM 752 CA GLU A 49 -5.996 -3.328 -4.885 1.00 0.00 C ATOM 753 C GLU A 49 -5.062 -2.331 -4.198 1.00 0.00 C ATOM 754 O GLU A 49 -5.409 -1.755 -3.160 1.00 0.00 O ATOM 755 CB GLU A 49 -6.903 -2.682 -5.943 1.00 0.00 C ATOM 756 CG GLU A 49 -7.772 -3.752 -6.630 1.00 0.00 C ATOM 757 CD GLU A 49 -8.589 -3.239 -7.822 1.00 0.00 C ATOM 758 OE1 GLU A 49 -8.145 -2.329 -8.560 1.00 0.00 O ATOM 759 OE2 GLU A 49 -9.694 -3.784 -8.074 1.00 0.00 O ATOM 0 H GLU A 49 -7.698 -3.470 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.392 -4.061 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.541 -1.932 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.295 -2.166 -6.686 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.127 -4.562 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.455 -4.175 -5.893 1.00 0.00 H new ATOM 766 N PHE A 50 -3.876 -2.140 -4.772 1.00 0.00 N ATOM 767 CA PHE A 50 -2.857 -1.227 -4.280 1.00 0.00 C ATOM 768 C PHE A 50 -2.639 -0.185 -5.344 1.00 0.00 C ATOM 769 O PHE A 50 -2.396 -0.541 -6.499 1.00 0.00 O ATOM 770 CB PHE A 50 -1.532 -1.950 -4.072 1.00 0.00 C ATOM 771 CG PHE A 50 -1.609 -3.106 -3.107 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.737 -2.876 -1.726 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.602 -4.419 -3.609 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.851 -3.963 -0.843 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.715 -5.500 -2.728 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.843 -5.276 -1.346 1.00 0.00 C ATOM 0 H PHE A 50 -3.593 -2.634 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.184 -0.799 -3.332 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.175 -2.317 -5.034 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.793 -1.236 -3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.748 -1.866 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.510 -4.593 -4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.945 -3.790 0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.704 -6.510 -3.111 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.935 -6.113 -0.670 1.00 0.00 H new ATOM 786 N HIS A 51 -2.705 1.086 -4.985 1.00 0.00 N ATOM 787 CA HIS A 51 -2.527 2.165 -5.940 1.00 0.00 C ATOM 788 C HIS A 51 -1.420 3.042 -5.382 1.00 0.00 C ATOM 789 O HIS A 51 -1.282 3.144 -4.172 1.00 0.00 O ATOM 790 CB HIS A 51 -3.814 2.962 -6.144 1.00 0.00 C ATOM 791 CG HIS A 51 -5.116 2.261 -5.860 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.431 1.001 -6.257 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -6.186 2.756 -5.153 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -6.734 0.733 -5.839 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.144 1.812 -5.144 1.00 0.00 N flip ATOM 0 H HIS A 51 -2.882 1.397 -4.030 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.267 1.772 -6.923 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.764 3.849 -5.512 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.836 3.307 -7.178 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.247 3.729 -4.688 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.303 -0.164 -6.034 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.048 1.900 -4.679 1.00 0.00 H new ATOM 803 N LEU A 52 -0.644 3.672 -6.241 1.00 0.00 N ATOM 804 CA LEU A 52 0.393 4.634 -5.885 1.00 0.00 C ATOM 805 C LEU A 52 0.220 5.832 -6.786 1.00 0.00 C ATOM 806 O LEU A 52 0.346 5.695 -8.005 1.00 0.00 O ATOM 807 CB LEU A 52 1.806 4.047 -6.038 1.00 0.00 C ATOM 808 CG LEU A 52 2.930 5.102 -5.950 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.915 5.941 -4.670 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.290 4.412 -6.041 1.00 0.00 C ATOM 0 H LEU A 52 -0.717 3.525 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 52 0.289 4.910 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.963 3.296 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.875 3.535 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 52 2.753 5.782 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.738 6.655 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.970 6.479 -4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.026 5.287 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.082 5.159 -5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.394 3.703 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.366 3.881 -6.990 1.00 0.00 H new ATOM 822 N ASP A 53 -0.075 6.984 -6.185 1.00 0.00 N ATOM 823 CA ASP A 53 -0.188 8.310 -6.792 1.00 0.00 C ATOM 824 C ASP A 53 -1.469 8.436 -7.609 1.00 0.00 C ATOM 825 O ASP A 53 -2.150 9.462 -7.555 1.00 0.00 O ATOM 826 CB ASP A 53 1.072 8.646 -7.606 1.00 0.00 C ATOM 827 CG ASP A 53 1.120 10.115 -8.006 1.00 0.00 C ATOM 828 OD1 ASP A 53 0.988 10.972 -7.099 1.00 0.00 O ATOM 829 OD2 ASP A 53 1.346 10.402 -9.206 1.00 0.00 O ATOM 0 H ASP A 53 -0.255 7.017 -5.182 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.257 9.051 -5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.958 8.401 -7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.101 8.026 -8.502 1.00 0.00 H new ATOM 834 N GLY A 54 -1.844 7.345 -8.266 1.00 0.00 N ATOM 835 CA GLY A 54 -3.068 7.071 -8.973 1.00 0.00 C ATOM 836 C GLY A 54 -2.914 5.860 -9.902 1.00 0.00 C ATOM 837 O GLY A 54 -3.917 5.358 -10.414 1.00 0.00 O ATOM 0 H GLY A 54 -1.216 6.543 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.870 6.885 -8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.358 7.945 -9.556 1.00 0.00 H new ATOM 841 N GLU A 55 -1.697 5.345 -10.110 1.00 0.00 N ATOM 842 CA GLU A 55 -1.430 4.125 -10.855 1.00 0.00 C ATOM 843 C GLU A 55 -1.709 2.979 -9.901 1.00 0.00 C ATOM 844 O GLU A 55 -1.050 2.851 -8.874 1.00 0.00 O ATOM 845 CB GLU A 55 0.042 4.068 -11.302 1.00 0.00 C ATOM 846 CG GLU A 55 0.210 4.591 -12.732 1.00 0.00 C ATOM 847 CD GLU A 55 1.587 5.209 -12.956 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.735 6.436 -12.730 1.00 0.00 O ATOM 849 OE2 GLU A 55 2.525 4.495 -13.382 1.00 0.00 O ATOM 0 H GLU A 55 -0.850 5.785 -9.751 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.050 4.076 -11.750 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.654 4.660 -10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.403 3.041 -11.243 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.060 3.773 -13.437 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.559 5.335 -12.939 1.00 0.00 H new ATOM 856 N VAL A 56 -2.701 2.158 -10.208 1.00 0.00 N ATOM 857 CA VAL A 56 -2.884 0.877 -9.581 1.00 0.00 C ATOM 858 C VAL A 56 -1.999 -0.204 -10.157 1.00 0.00 C ATOM 859 O VAL A 56 -1.801 -0.335 -11.367 1.00 0.00 O ATOM 860 CB VAL A 56 -4.370 0.564 -9.411 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.243 0.897 -10.602 1.00 0.00 C ATOM 862 CG2 VAL A 56 -4.573 -0.914 -9.031 1.00 0.00 C ATOM 0 H VAL A 56 -3.407 2.375 -10.911 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.508 0.919 -8.559 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.696 1.225 -8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.278 0.637 -10.379 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.175 1.964 -10.816 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.906 0.330 -11.470 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.638 -1.117 -8.915 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.166 -1.551 -9.816 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.059 -1.122 -8.093 1.00 0.00 H new ATOM 872 N LEU A 57 -1.425 -0.929 -9.195 1.00 0.00 N ATOM 873 CA LEU A 57 -0.329 -1.861 -9.383 1.00 0.00 C ATOM 874 C LEU A 57 -0.846 -3.298 -9.288 1.00 0.00 C ATOM 875 O LEU A 57 -2.044 -3.546 -9.415 1.00 0.00 O ATOM 876 CB LEU A 57 0.766 -1.583 -8.340 1.00 0.00 C ATOM 877 CG LEU A 57 1.191 -0.118 -8.168 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.422 0.677 -9.459 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.386 0.635 -7.134 1.00 0.00 C ATOM 0 H LEU A 57 -1.730 -0.875 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 57 0.105 -1.729 -10.374 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.420 -1.954 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.648 -2.165 -8.608 1.00 0.00 H new ATOM 0 HG LEU A 57 2.196 -0.213 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.718 1.696 -9.211 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.211 0.202 -10.042 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.502 0.698 -10.043 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.745 1.662 -7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.665 0.636 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.497 0.151 -6.164 1.00 0.00 H new ATOM 891 N SER A 58 0.055 -4.247 -9.038 1.00 0.00 N ATOM 892 CA SER A 58 -0.267 -5.579 -8.569 1.00 0.00 C ATOM 893 C SER A 58 0.626 -5.905 -7.374 1.00 0.00 C ATOM 894 O SER A 58 1.616 -5.217 -7.129 1.00 0.00 O ATOM 895 CB SER A 58 -0.061 -6.582 -9.701 1.00 0.00 C ATOM 896 OG SER A 58 -1.257 -6.763 -10.429 1.00 0.00 O ATOM 0 H SER A 58 1.056 -4.098 -9.162 1.00 0.00 H new ATOM 0 HA SER A 58 -1.310 -5.633 -8.256 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.727 -6.230 -10.367 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.270 -7.537 -9.292 1.00 0.00 H new ATOM 0 HG SER A 58 -1.106 -7.408 -11.151 1.00 0.00 H new ATOM 902 N LEU A 59 0.297 -6.981 -6.660 1.00 0.00 N ATOM 903 CA LEU A 59 0.906 -7.365 -5.380 1.00 0.00 C ATOM 904 C LEU A 59 2.364 -7.800 -5.529 1.00 0.00 C ATOM 905 O LEU A 59 3.101 -7.838 -4.549 1.00 0.00 O ATOM 906 CB LEU A 59 0.069 -8.510 -4.777 1.00 0.00 C ATOM 907 CG LEU A 59 0.610 -9.181 -3.491 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.788 -8.229 -2.308 1.00 0.00 C ATOM 909 CD2 LEU A 59 -0.352 -10.257 -3.002 1.00 0.00 C ATOM 0 H LEU A 59 -0.425 -7.634 -6.964 1.00 0.00 H new ATOM 0 HA LEU A 59 0.911 -6.495 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.927 -8.123 -4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.045 -9.282 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 59 1.582 -9.575 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.170 -8.782 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.494 -7.443 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.173 -7.782 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.046 -10.717 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.321 -9.807 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.470 -11.018 -3.774 1.00 0.00 H new ATOM 921 N ASP A 60 2.792 -8.141 -6.736 1.00 0.00 N ATOM 922 CA ASP A 60 4.163 -8.561 -7.010 1.00 0.00 C ATOM 923 C ASP A 60 4.971 -7.347 -7.462 1.00 0.00 C ATOM 924 O ASP A 60 6.078 -7.114 -6.969 1.00 0.00 O ATOM 925 CB ASP A 60 4.092 -9.673 -8.079 1.00 0.00 C ATOM 926 CG ASP A 60 4.830 -10.976 -7.749 1.00 0.00 C ATOM 927 OD1 ASP A 60 5.190 -11.225 -6.578 1.00 0.00 O ATOM 928 OD2 ASP A 60 4.921 -11.835 -8.664 1.00 0.00 O ATOM 0 H ASP A 60 2.193 -8.135 -7.562 1.00 0.00 H new ATOM 0 HA ASP A 60 4.665 -8.960 -6.129 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.043 -9.909 -8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.494 -9.278 -9.012 1.00 0.00 H new ATOM 933 N LYS A 61 4.371 -6.512 -8.320 1.00 0.00 N ATOM 934 CA LYS A 61 4.945 -5.249 -8.769 1.00 0.00 C ATOM 935 C LYS A 61 5.201 -4.359 -7.571 1.00 0.00 C ATOM 936 O LYS A 61 6.316 -3.885 -7.420 1.00 0.00 O ATOM 937 CB LYS A 61 4.019 -4.527 -9.767 1.00 0.00 C ATOM 938 CG LYS A 61 4.637 -4.454 -11.166 1.00 0.00 C ATOM 939 CD LYS A 61 3.693 -3.707 -12.117 1.00 0.00 C ATOM 940 CE LYS A 61 4.102 -3.902 -13.582 1.00 0.00 C ATOM 941 NZ LYS A 61 2.934 -3.817 -14.481 1.00 0.00 N ATOM 0 H LYS A 61 3.455 -6.704 -8.726 1.00 0.00 H new ATOM 0 HA LYS A 61 5.882 -5.465 -9.282 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.063 -5.049 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.813 -3.519 -9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.600 -3.945 -11.121 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.825 -5.459 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.673 -4.063 -11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.697 -2.644 -11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.834 -3.145 -13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.585 -4.872 -13.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.243 -3.953 -15.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.247 -4.556 -14.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.488 -2.882 -14.384 1.00 0.00 H new ATOM 955 N LEU A 62 4.185 -4.129 -6.738 1.00 0.00 N ATOM 956 CA LEU A 62 4.229 -3.194 -5.624 1.00 0.00 C ATOM 957 C LEU A 62 5.513 -3.384 -4.824 1.00 0.00 C ATOM 958 O LEU A 62 6.248 -2.416 -4.669 1.00 0.00 O ATOM 959 CB LEU A 62 2.975 -3.334 -4.768 1.00 0.00 C ATOM 960 CG LEU A 62 3.037 -2.518 -3.460 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.182 -1.012 -3.722 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.761 -2.723 -2.650 1.00 0.00 C ATOM 0 H LEU A 62 3.286 -4.603 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 62 4.242 -2.173 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.110 -3.013 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.824 -4.386 -4.525 1.00 0.00 H new ATOM 0 HG LEU A 62 3.912 -2.873 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.221 -0.480 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.100 -0.826 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.328 -0.659 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.817 -2.142 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.902 -2.394 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.651 -3.780 -2.406 1.00 0.00 H new ATOM 974 N LYS A 63 5.851 -4.600 -4.375 1.00 0.00 N ATOM 975 CA LYS A 63 7.077 -4.796 -3.608 1.00 0.00 C ATOM 976 C LYS A 63 8.307 -4.277 -4.355 1.00 0.00 C ATOM 977 O LYS A 63 9.099 -3.514 -3.807 1.00 0.00 O ATOM 978 CB LYS A 63 7.305 -6.274 -3.241 1.00 0.00 C ATOM 979 CG LYS A 63 6.063 -6.938 -2.661 1.00 0.00 C ATOM 980 CD LYS A 63 6.357 -8.295 -2.048 1.00 0.00 C ATOM 981 CE LYS A 63 5.053 -9.035 -1.744 1.00 0.00 C ATOM 982 NZ LYS A 63 5.254 -10.495 -1.819 1.00 0.00 N ATOM 0 H LYS A 63 5.301 -5.445 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 63 6.945 -4.221 -2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.621 -6.820 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.119 -6.343 -2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.629 -6.287 -1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.317 -7.053 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.967 -8.886 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.934 -8.170 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.697 -8.762 -0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.283 -8.732 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.358 -10.980 -1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.572 -10.753 -2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.974 -10.782 -1.125 1.00 0.00 H new ATOM 996 N SER A 64 8.421 -4.659 -5.626 1.00 0.00 N ATOM 997 CA SER A 64 9.475 -4.258 -6.552 1.00 0.00 C ATOM 998 C SER A 64 9.514 -2.729 -6.751 1.00 0.00 C ATOM 999 O SER A 64 10.574 -2.184 -7.058 1.00 0.00 O ATOM 1000 CB SER A 64 9.230 -5.032 -7.861 1.00 0.00 C ATOM 1001 OG SER A 64 10.224 -4.885 -8.848 1.00 0.00 O ATOM 0 H SER A 64 7.745 -5.289 -6.058 1.00 0.00 H new ATOM 0 HA SER A 64 10.460 -4.504 -6.156 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.133 -6.091 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.276 -4.710 -8.280 1.00 0.00 H new ATOM 0 HG SER A 64 9.982 -5.412 -9.638 1.00 0.00 H new ATOM 1007 N LEU A 65 8.392 -2.018 -6.557 1.00 0.00 N ATOM 1008 CA LEU A 65 8.301 -0.557 -6.619 1.00 0.00 C ATOM 1009 C LEU A 65 8.639 0.110 -5.287 1.00 0.00 C ATOM 1010 O LEU A 65 9.039 1.276 -5.277 1.00 0.00 O ATOM 1011 CB LEU A 65 6.880 -0.104 -7.001 1.00 0.00 C ATOM 1012 CG LEU A 65 6.287 -0.626 -8.317 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.967 0.093 -8.587 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.251 -0.478 -9.493 1.00 0.00 C ATOM 0 H LEU A 65 7.498 -2.461 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 65 9.026 -0.255 -7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.208 -0.395 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.876 0.985 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 65 6.107 -1.696 -8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.538 -0.272 -9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.273 -0.101 -7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.146 1.165 -8.665 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.782 -0.862 -10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.498 0.575 -9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.162 -1.041 -9.290 1.00 0.00 H new ATOM 1026 N LEU A 66 8.408 -0.565 -4.162 1.00 0.00 N ATOM 1027 CA LEU A 66 8.727 -0.053 -2.827 1.00 0.00 C ATOM 1028 C LEU A 66 10.229 -0.145 -2.568 1.00 0.00 C ATOM 1029 O LEU A 66 10.763 0.688 -1.831 1.00 0.00 O ATOM 1030 CB LEU A 66 7.966 -0.856 -1.757 1.00 0.00 C ATOM 1031 CG LEU A 66 6.436 -0.690 -1.810 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.743 -1.669 -0.872 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.993 0.709 -1.412 1.00 0.00 C ATOM 0 H LEU A 66 7.989 -1.495 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 66 8.422 0.992 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.209 -1.912 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.319 -0.552 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 66 6.155 -0.882 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.664 -1.528 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.992 -2.690 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.076 -1.491 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.906 0.776 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.320 0.918 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.435 1.438 -2.092 1.00 0.00 H new ATOM 1045 N SER A 67 10.861 -1.164 -3.149 1.00 0.00 N ATOM 1046 CA SER A 67 12.260 -1.523 -3.059 1.00 0.00 C ATOM 1047 C SER A 67 13.101 -0.549 -3.876 1.00 0.00 C ATOM 1048 O SER A 67 14.031 0.061 -3.303 1.00 0.00 O ATOM 1049 CB SER A 67 12.353 -2.966 -3.579 1.00 0.00 C ATOM 1050 OG SER A 67 13.641 -3.523 -3.407 1.00 0.00 O ATOM 0 H SER A 67 10.352 -1.814 -3.748 1.00 0.00 H new ATOM 0 HA SER A 67 12.645 -1.466 -2.041 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.621 -3.584 -3.058 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.091 -2.985 -4.637 1.00 0.00 H new ATOM 0 HG SER A 67 13.649 -4.441 -3.751 1.00 0.00 H new TER 1056 SER A 67