USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 641 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 40 ASN : amide:sc= -4.83! C(o=-6.6!,f=-4.4!) USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= -1.79 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -99:sc= -2.77! USER MOD Single : A 24 HIS : no HD1:sc= -2.14! K(o=-2.1!,f=-1.2) USER MOD Single : A 28 GLN : amide:sc= -1.92 K(o=-1.9,f=-4.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -111:sc= -2.83! (180deg=-7.06!) USER MOD Single : A 53 THR OG1 : rot 34:sc= 1.04 USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= -0.135 (180deg=-0.267) USER MOD Single : A 62 HIS : no HE2:sc= -5.22! C(o=-5.2!,f=-7.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.841 K(o=-0.84,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 9 -11.567 -10.849 -9.984 1.00 0.00 N ATOM 2 CA ARG A 9 -10.127 -10.965 -9.779 1.00 0.00 C ATOM 3 C ARG A 9 -9.556 -9.685 -9.179 1.00 0.00 C ATOM 4 O ARG A 9 -9.871 -8.582 -9.629 1.00 0.00 O ATOM 5 CB ARG A 9 -9.421 -11.284 -11.099 1.00 0.00 C ATOM 6 CG ARG A 9 -9.906 -12.566 -11.756 1.00 0.00 C ATOM 7 CD ARG A 9 -9.177 -12.834 -13.063 1.00 0.00 C ATOM 8 NE ARG A 9 -9.623 -14.073 -13.699 1.00 0.00 N ATOM 9 CZ ARG A 9 -9.422 -15.286 -13.186 1.00 0.00 C ATOM 10 NH1 ARG A 9 -8.741 -15.434 -12.057 1.00 0.00 N ATOM 11 NH2 ARG A 9 -9.891 -16.355 -13.814 1.00 0.00 N ATOM 0 HA ARG A 9 -9.953 -11.782 -9.079 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.568 -10.454 -11.790 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.349 -11.362 -10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.755 -13.404 -11.076 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.978 -12.497 -11.944 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.338 -11.999 -13.745 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.105 -12.890 -12.875 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.117 -14.004 -14.588 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.367 -14.616 -11.576 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.591 -16.366 -11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.405 -16.248 -14.689 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.738 -17.284 -13.423 1.00 0.00 H new ATOM 25 N HIS A 10 -8.717 -9.839 -8.160 1.00 0.00 N ATOM 26 CA HIS A 10 -8.102 -8.695 -7.493 1.00 0.00 C ATOM 27 C HIS A 10 -9.155 -7.819 -6.824 1.00 0.00 C ATOM 28 O HIS A 10 -9.644 -6.856 -7.416 1.00 0.00 O ATOM 29 CB HIS A 10 -7.292 -7.867 -8.495 1.00 0.00 C ATOM 30 CG HIS A 10 -6.191 -8.635 -9.156 1.00 0.00 C ATOM 31 ND1 HIS A 10 -5.155 -9.219 -8.458 1.00 0.00 N ATOM 32 CD2 HIS A 10 -5.965 -8.913 -10.463 1.00 0.00 C ATOM 33 CE1 HIS A 10 -4.341 -9.822 -9.305 1.00 0.00 C ATOM 34 NE2 HIS A 10 -4.810 -9.652 -10.528 1.00 0.00 N ATOM 0 H HIS A 10 -8.447 -10.745 -7.777 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.433 -9.076 -6.722 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.964 -7.480 -9.261 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.865 -7.006 -7.981 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.579 -8.610 -11.298 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.444 -10.363 -9.042 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.383 -10.011 -11.382 1.00 0.00 H new ATOM 43 N GLU A 11 -9.499 -8.158 -5.585 1.00 0.00 N ATOM 44 CA GLU A 11 -10.494 -7.402 -4.834 1.00 0.00 C ATOM 45 C GLU A 11 -9.826 -6.540 -3.766 1.00 0.00 C ATOM 46 O GLU A 11 -10.396 -6.299 -2.702 1.00 0.00 O ATOM 47 CB GLU A 11 -11.507 -8.345 -4.180 1.00 0.00 C ATOM 48 CG GLU A 11 -12.329 -9.151 -5.175 1.00 0.00 C ATOM 49 CD GLU A 11 -11.483 -10.087 -6.016 1.00 0.00 C ATOM 50 OE1 GLU A 11 -10.811 -10.965 -5.433 1.00 0.00 O ATOM 51 OE2 GLU A 11 -11.492 -9.943 -7.256 1.00 0.00 O ATOM 0 H GLU A 11 -9.103 -8.951 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.018 -6.751 -5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.976 -9.032 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.182 -7.761 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.077 -9.731 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.868 -8.468 -5.831 1.00 0.00 H new ATOM 58 N LEU A 12 -8.615 -6.079 -4.060 1.00 0.00 N ATOM 59 CA LEU A 12 -7.866 -5.244 -3.127 1.00 0.00 C ATOM 60 C LEU A 12 -8.293 -3.781 -3.227 1.00 0.00 C ATOM 61 O LEU A 12 -8.090 -3.002 -2.298 1.00 0.00 O ATOM 62 CB LEU A 12 -6.366 -5.360 -3.399 1.00 0.00 C ATOM 63 CG LEU A 12 -5.475 -4.501 -2.499 1.00 0.00 C ATOM 64 CD1 LEU A 12 -5.572 -4.961 -1.053 1.00 0.00 C ATOM 65 CD2 LEU A 12 -4.033 -4.543 -2.979 1.00 0.00 C ATOM 0 H LEU A 12 -8.131 -6.269 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.081 -5.598 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.072 -6.403 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.178 -5.086 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.825 -3.470 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.931 -4.338 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.604 -4.876 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.250 -6.000 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.414 -3.926 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.672 -5.571 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.978 -4.162 -3.999 1.00 0.00 H new ATOM 77 N ILE A 13 -8.876 -3.410 -4.364 1.00 0.00 N ATOM 78 CA ILE A 13 -9.319 -2.038 -4.581 1.00 0.00 C ATOM 79 C ILE A 13 -10.687 -1.794 -3.949 1.00 0.00 C ATOM 80 O ILE A 13 -11.447 -2.731 -3.709 1.00 0.00 O ATOM 81 CB ILE A 13 -9.389 -1.704 -6.083 1.00 0.00 C ATOM 82 CG1 ILE A 13 -8.059 -2.038 -6.760 1.00 0.00 C ATOM 83 CG2 ILE A 13 -9.739 -0.236 -6.287 1.00 0.00 C ATOM 84 CD1 ILE A 13 -6.874 -1.328 -6.144 1.00 0.00 C ATOM 0 H ILE A 13 -9.052 -4.040 -5.147 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.584 -1.388 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.173 -2.309 -6.539 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.894 -3.114 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.122 -1.775 -7.816 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.784 -0.018 -7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.707 -0.026 -5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.976 0.388 -5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.964 -1.611 -6.674 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.017 -0.250 -6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.786 -1.610 -5.095 1.00 0.00 H new ATOM 96 N GLY A 14 -10.991 -0.526 -3.684 1.00 0.00 N ATOM 97 CA GLY A 14 -12.266 -0.179 -3.084 1.00 0.00 C ATOM 98 C GLY A 14 -12.165 0.080 -1.591 1.00 0.00 C ATOM 99 O GLY A 14 -13.123 0.540 -0.969 1.00 0.00 O ATOM 0 H GLY A 14 -10.377 0.266 -3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.664 0.709 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.977 -0.986 -3.260 1.00 0.00 H new ATOM 103 N LEU A 15 -11.005 -0.218 -1.011 1.00 0.00 N ATOM 104 CA LEU A 15 -10.789 -0.017 0.417 1.00 0.00 C ATOM 105 C LEU A 15 -9.816 1.131 0.675 1.00 0.00 C ATOM 106 O LEU A 15 -9.127 1.592 -0.236 1.00 0.00 O ATOM 107 CB LEU A 15 -10.270 -1.308 1.057 1.00 0.00 C ATOM 108 CG LEU A 15 -9.036 -1.922 0.389 1.00 0.00 C ATOM 109 CD1 LEU A 15 -7.828 -1.011 0.541 1.00 0.00 C ATOM 110 CD2 LEU A 15 -8.745 -3.297 0.971 1.00 0.00 C ATOM 0 H LEU A 15 -10.201 -0.600 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 15 -11.745 0.247 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.034 -1.106 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.072 -2.046 1.048 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.245 -2.033 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.964 -1.469 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.037 -0.049 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.616 -0.862 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.865 -3.719 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.560 -3.207 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.601 -3.951 0.804 1.00 0.00 H new ATOM 122 N SER A 16 -9.767 1.586 1.922 1.00 0.00 N ATOM 123 CA SER A 16 -8.881 2.677 2.308 1.00 0.00 C ATOM 124 C SER A 16 -7.537 2.139 2.790 1.00 0.00 C ATOM 125 O SER A 16 -7.430 0.977 3.184 1.00 0.00 O ATOM 126 CB SER A 16 -9.529 3.525 3.405 1.00 0.00 C ATOM 127 OG SER A 16 -10.766 4.062 2.971 1.00 0.00 O ATOM 0 H SER A 16 -10.333 1.214 2.685 1.00 0.00 H new ATOM 0 HA SER A 16 -8.709 3.302 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.686 2.916 4.295 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.857 4.335 3.688 1.00 0.00 H new ATOM 0 HG SER A 16 -11.160 4.598 3.690 1.00 0.00 H new ATOM 133 N VAL A 17 -6.513 2.986 2.750 1.00 0.00 N ATOM 134 CA VAL A 17 -5.177 2.589 3.174 1.00 0.00 C ATOM 135 C VAL A 17 -4.569 3.613 4.132 1.00 0.00 C ATOM 136 O VAL A 17 -4.707 4.821 3.938 1.00 0.00 O ATOM 137 CB VAL A 17 -4.243 2.413 1.959 1.00 0.00 C ATOM 138 CG1 VAL A 17 -4.251 3.664 1.094 1.00 0.00 C ATOM 139 CG2 VAL A 17 -2.826 2.077 2.405 1.00 0.00 C ATOM 0 H VAL A 17 -6.584 3.951 2.428 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.276 1.636 3.694 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.615 1.579 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.586 3.521 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.263 3.853 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.909 4.515 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.188 1.958 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.440 2.883 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.835 1.149 2.976 1.00 0.00 H new ATOM 149 N ARG A 18 -3.890 3.117 5.163 1.00 0.00 N ATOM 150 CA ARG A 18 -3.251 3.982 6.152 1.00 0.00 C ATOM 151 C ARG A 18 -1.825 3.515 6.435 1.00 0.00 C ATOM 152 O ARG A 18 -1.609 2.385 6.870 1.00 0.00 O ATOM 153 CB ARG A 18 -4.062 3.999 7.449 1.00 0.00 C ATOM 154 CG ARG A 18 -5.473 4.540 7.274 1.00 0.00 C ATOM 155 CD ARG A 18 -6.244 4.523 8.585 1.00 0.00 C ATOM 156 NE ARG A 18 -7.598 5.049 8.430 1.00 0.00 N ATOM 157 CZ ARG A 18 -8.546 4.460 7.704 1.00 0.00 C ATOM 158 NH1 ARG A 18 -8.312 3.298 7.108 1.00 0.00 N ATOM 159 NH2 ARG A 18 -9.738 5.030 7.587 1.00 0.00 N ATOM 0 H ARG A 18 -3.768 2.119 5.336 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.213 4.993 5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.116 2.986 7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.538 4.605 8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.428 5.559 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.003 3.943 6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.293 3.502 8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.708 5.114 9.328 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.831 5.920 8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.401 2.850 7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.043 2.853 6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.927 5.918 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.466 4.581 7.031 1.00 0.00 H new ATOM 173 N ILE A 19 -0.855 4.386 6.179 1.00 0.00 N ATOM 174 CA ILE A 19 0.548 4.053 6.401 1.00 0.00 C ATOM 175 C ILE A 19 1.001 4.459 7.803 1.00 0.00 C ATOM 176 O ILE A 19 0.675 5.544 8.282 1.00 0.00 O ATOM 177 CB ILE A 19 1.461 4.723 5.348 1.00 0.00 C ATOM 178 CG1 ILE A 19 1.146 4.192 3.945 1.00 0.00 C ATOM 179 CG2 ILE A 19 2.930 4.493 5.683 1.00 0.00 C ATOM 180 CD1 ILE A 19 -0.267 4.500 3.473 1.00 0.00 C ATOM 0 H ILE A 19 -1.014 5.327 5.818 1.00 0.00 H new ATOM 0 HA ILE A 19 0.635 2.971 6.303 1.00 0.00 H new ATOM 0 HB ILE A 19 1.267 5.796 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.856 4.619 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.295 3.112 3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.554 4.973 4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.151 4.919 6.662 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.137 3.423 5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.413 4.092 2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.986 4.049 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.416 5.580 3.450 1.00 0.00 H new ATOM 192 N ALA A 20 1.758 3.575 8.450 1.00 0.00 N ATOM 193 CA ALA A 20 2.262 3.837 9.792 1.00 0.00 C ATOM 194 C ALA A 20 3.697 4.341 9.743 1.00 0.00 C ATOM 195 O ALA A 20 4.101 5.191 10.537 1.00 0.00 O ATOM 196 CB ALA A 20 2.167 2.583 10.649 1.00 0.00 C ATOM 0 H ALA A 20 2.035 2.672 8.065 1.00 0.00 H new ATOM 0 HA ALA A 20 1.644 4.614 10.242 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.547 2.795 11.648 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.126 2.267 10.717 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.759 1.788 10.197 1.00 0.00 H new ATOM 202 N ARG A 21 4.456 3.816 8.794 1.00 0.00 N ATOM 203 CA ARG A 21 5.843 4.207 8.613 1.00 0.00 C ATOM 204 C ARG A 21 6.234 4.120 7.146 1.00 0.00 C ATOM 205 O ARG A 21 5.758 3.252 6.415 1.00 0.00 O ATOM 206 CB ARG A 21 6.772 3.335 9.451 1.00 0.00 C ATOM 207 CG ARG A 21 8.238 3.718 9.337 1.00 0.00 C ATOM 208 CD ARG A 21 8.489 5.128 9.852 1.00 0.00 C ATOM 209 NE ARG A 21 9.895 5.511 9.743 1.00 0.00 N ATOM 210 CZ ARG A 21 10.876 4.940 10.438 1.00 0.00 C ATOM 211 NH1 ARG A 21 10.606 3.996 11.332 1.00 0.00 N ATOM 212 NH2 ARG A 21 12.132 5.325 10.250 1.00 0.00 N ATOM 0 H ARG A 21 4.130 3.112 8.132 1.00 0.00 H new ATOM 0 HA ARG A 21 5.945 5.240 8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.470 3.398 10.496 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.653 2.295 9.146 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.845 3.010 9.902 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.553 3.649 8.296 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.877 5.833 9.290 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.175 5.194 10.894 1.00 0.00 H new ATOM 0 HE ARG A 21 10.139 6.261 9.096 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.642 3.704 11.490 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.363 3.563 11.861 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.345 6.058 9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.884 4.888 10.782 1.00 0.00 H new ATOM 226 N SER A 22 7.098 5.028 6.725 1.00 0.00 N ATOM 227 CA SER A 22 7.554 5.064 5.340 1.00 0.00 C ATOM 228 C SER A 22 9.046 5.371 5.252 1.00 0.00 C ATOM 229 O SER A 22 9.652 5.840 6.213 1.00 0.00 O ATOM 230 CB SER A 22 6.764 6.108 4.551 1.00 0.00 C ATOM 231 OG SER A 22 5.379 5.806 4.548 1.00 0.00 O ATOM 0 H SER A 22 7.500 5.752 7.321 1.00 0.00 H new ATOM 0 HA SER A 22 7.384 4.078 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.923 7.094 4.987 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.133 6.149 3.526 1.00 0.00 H new ATOM 0 HG SER A 22 5.143 5.363 3.706 1.00 0.00 H new ATOM 237 N VAL A 23 9.624 5.108 4.084 1.00 0.00 N ATOM 238 CA VAL A 23 11.042 5.364 3.857 1.00 0.00 C ATOM 239 C VAL A 23 11.298 6.857 3.657 1.00 0.00 C ATOM 240 O VAL A 23 12.374 7.361 3.978 1.00 0.00 O ATOM 241 CB VAL A 23 11.560 4.593 2.626 1.00 0.00 C ATOM 242 CG1 VAL A 23 10.817 5.024 1.368 1.00 0.00 C ATOM 243 CG2 VAL A 23 13.060 4.791 2.462 1.00 0.00 C ATOM 0 H VAL A 23 9.132 4.718 3.280 1.00 0.00 H new ATOM 0 HA VAL A 23 11.578 5.019 4.741 1.00 0.00 H new ATOM 0 HB VAL A 23 11.372 3.531 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 23 11.198 4.468 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.752 4.822 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.968 6.091 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.406 4.239 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.275 5.851 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.575 4.424 3.350 1.00 0.00 H new ATOM 253 N HIS A 24 10.298 7.557 3.128 1.00 0.00 N ATOM 254 CA HIS A 24 10.407 8.991 2.884 1.00 0.00 C ATOM 255 C HIS A 24 9.488 9.770 3.825 1.00 0.00 C ATOM 256 O HIS A 24 8.349 9.373 4.066 1.00 0.00 O ATOM 257 CB HIS A 24 10.073 9.311 1.428 1.00 0.00 C ATOM 258 CG HIS A 24 10.945 8.596 0.444 1.00 0.00 C ATOM 259 ND1 HIS A 24 12.316 8.741 0.408 1.00 0.00 N ATOM 260 CD2 HIS A 24 10.635 7.726 -0.547 1.00 0.00 C ATOM 261 CE1 HIS A 24 12.811 7.993 -0.562 1.00 0.00 C ATOM 262 NE2 HIS A 24 11.812 7.366 -1.155 1.00 0.00 N ATOM 0 H HIS A 24 9.401 7.152 2.860 1.00 0.00 H new ATOM 0 HA HIS A 24 11.435 9.295 3.080 1.00 0.00 H new ATOM 0 HB2 HIS A 24 9.032 9.049 1.236 1.00 0.00 H new ATOM 0 HB3 HIS A 24 10.166 10.385 1.270 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.646 7.380 -0.810 1.00 0.00 H new ATOM 0 HE1 HIS A 24 13.855 7.909 -0.825 1.00 0.00 H new ATOM 0 HE2 HIS A 24 11.900 6.719 -1.938 1.00 0.00 H new ATOM 271 N ARG A 25 10.003 10.869 4.368 1.00 0.00 N ATOM 272 CA ARG A 25 9.245 11.698 5.303 1.00 0.00 C ATOM 273 C ARG A 25 8.062 12.397 4.637 1.00 0.00 C ATOM 274 O ARG A 25 7.093 12.761 5.305 1.00 0.00 O ATOM 275 CB ARG A 25 10.168 12.740 5.943 1.00 0.00 C ATOM 276 CG ARG A 25 9.463 13.665 6.920 1.00 0.00 C ATOM 277 CD ARG A 25 10.415 14.710 7.482 1.00 0.00 C ATOM 278 NE ARG A 25 9.747 15.619 8.411 1.00 0.00 N ATOM 279 CZ ARG A 25 10.358 16.628 9.027 1.00 0.00 C ATOM 280 NH1 ARG A 25 11.647 16.862 8.816 1.00 0.00 N ATOM 281 NH2 ARG A 25 9.677 17.406 9.857 1.00 0.00 N ATOM 0 H ARG A 25 10.946 11.208 4.176 1.00 0.00 H new ATOM 0 HA ARG A 25 8.842 11.034 6.068 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.976 12.226 6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.626 13.339 5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.632 14.160 6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.040 13.080 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.239 14.212 7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.848 15.284 6.662 1.00 0.00 H new ATOM 0 HE ARG A 25 8.755 15.472 8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.176 16.267 8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.109 17.637 9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.686 17.231 10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.144 18.180 10.330 1.00 0.00 H new ATOM 295 N ASP A 26 8.145 12.602 3.330 1.00 0.00 N ATOM 296 CA ASP A 26 7.076 13.276 2.600 1.00 0.00 C ATOM 297 C ASP A 26 5.887 12.351 2.341 1.00 0.00 C ATOM 298 O ASP A 26 4.893 12.766 1.743 1.00 0.00 O ATOM 299 CB ASP A 26 7.598 13.837 1.275 1.00 0.00 C ATOM 300 CG ASP A 26 8.096 12.756 0.339 1.00 0.00 C ATOM 301 OD1 ASP A 26 9.060 12.054 0.706 1.00 0.00 O ATOM 302 OD2 ASP A 26 7.521 12.608 -0.759 1.00 0.00 O ATOM 0 H ASP A 26 8.936 12.314 2.754 1.00 0.00 H new ATOM 0 HA ASP A 26 6.729 14.097 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.803 14.399 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.407 14.539 1.476 1.00 0.00 H new ATOM 307 N ILE A 27 5.984 11.099 2.783 1.00 0.00 N ATOM 308 CA ILE A 27 4.910 10.138 2.583 1.00 0.00 C ATOM 309 C ILE A 27 4.555 9.398 3.872 1.00 0.00 C ATOM 310 O ILE A 27 3.473 8.824 3.986 1.00 0.00 O ATOM 311 CB ILE A 27 5.274 9.111 1.497 1.00 0.00 C ATOM 312 CG1 ILE A 27 6.533 8.339 1.903 1.00 0.00 C ATOM 313 CG2 ILE A 27 5.471 9.803 0.156 1.00 0.00 C ATOM 314 CD1 ILE A 27 6.998 7.340 0.865 1.00 0.00 C ATOM 0 H ILE A 27 6.795 10.730 3.280 1.00 0.00 H new ATOM 0 HA ILE A 27 4.042 10.713 2.261 1.00 0.00 H new ATOM 0 HB ILE A 27 4.453 8.401 1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.337 9.049 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.340 7.814 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.728 9.062 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.550 10.310 -0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.277 10.533 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.894 6.833 1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.212 6.606 0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.224 7.861 -0.066 1.00 0.00 H new ATOM 326 N GLN A 28 5.468 9.406 4.837 1.00 0.00 N ATOM 327 CA GLN A 28 5.243 8.728 6.110 1.00 0.00 C ATOM 328 C GLN A 28 4.032 9.307 6.835 1.00 0.00 C ATOM 329 O GLN A 28 3.783 10.511 6.787 1.00 0.00 O ATOM 330 CB GLN A 28 6.485 8.843 6.995 1.00 0.00 C ATOM 331 CG GLN A 28 6.344 8.151 8.340 1.00 0.00 C ATOM 332 CD GLN A 28 7.581 8.295 9.203 1.00 0.00 C ATOM 333 OE1 GLN A 28 8.672 7.871 8.822 1.00 0.00 O ATOM 334 NE2 GLN A 28 7.417 8.897 10.375 1.00 0.00 N ATOM 0 H GLN A 28 6.371 9.874 4.763 1.00 0.00 H new ATOM 0 HA GLN A 28 5.046 7.676 5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.338 8.418 6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.706 9.898 7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.486 8.566 8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.139 7.093 8.180 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.494 9.233 10.651 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.214 9.023 10.999 1.00 0.00 H new ATOM 343 N GLY A 29 3.284 8.437 7.510 1.00 0.00 N ATOM 344 CA GLY A 29 2.108 8.875 8.240 1.00 0.00 C ATOM 345 C GLY A 29 1.046 9.477 7.341 1.00 0.00 C ATOM 346 O GLY A 29 0.157 10.186 7.812 1.00 0.00 O ATOM 0 H GLY A 29 3.472 7.436 7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.684 8.027 8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.404 9.611 8.988 1.00 0.00 H new ATOM 350 N ILE A 30 1.135 9.196 6.045 1.00 0.00 N ATOM 351 CA ILE A 30 0.178 9.718 5.085 1.00 0.00 C ATOM 352 C ILE A 30 -0.860 8.662 4.710 1.00 0.00 C ATOM 353 O ILE A 30 -0.554 7.697 4.013 1.00 0.00 O ATOM 354 CB ILE A 30 0.880 10.215 3.805 1.00 0.00 C ATOM 355 CG1 ILE A 30 1.932 11.269 4.153 1.00 0.00 C ATOM 356 CG2 ILE A 30 -0.136 10.780 2.821 1.00 0.00 C ATOM 357 CD1 ILE A 30 1.359 12.488 4.853 1.00 0.00 C ATOM 0 H ILE A 30 1.863 8.608 5.638 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.324 10.559 5.564 1.00 0.00 H new ATOM 0 HB ILE A 30 1.378 9.368 3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.691 10.817 4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.433 11.587 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.379 11.125 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.852 10.004 2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.663 11.616 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.161 13.194 5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.621 12.965 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.883 12.182 5.785 1.00 0.00 H new ATOM 369 N SER A 31 -2.092 8.858 5.173 1.00 0.00 N ATOM 370 CA SER A 31 -3.176 7.926 4.881 1.00 0.00 C ATOM 371 C SER A 31 -3.943 8.369 3.639 1.00 0.00 C ATOM 372 O SER A 31 -3.788 9.500 3.177 1.00 0.00 O ATOM 373 CB SER A 31 -4.127 7.824 6.075 1.00 0.00 C ATOM 374 OG SER A 31 -4.685 9.087 6.392 1.00 0.00 O ATOM 0 H SER A 31 -2.364 9.653 5.751 1.00 0.00 H new ATOM 0 HA SER A 31 -2.742 6.944 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.925 7.117 5.849 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.590 7.433 6.939 1.00 0.00 H new ATOM 0 HG SER A 31 -5.290 8.994 7.157 1.00 0.00 H new ATOM 380 N GLY A 32 -4.768 7.477 3.100 1.00 0.00 N ATOM 381 CA GLY A 32 -5.535 7.809 1.915 1.00 0.00 C ATOM 382 C GLY A 32 -6.252 6.611 1.326 1.00 0.00 C ATOM 383 O GLY A 32 -6.440 5.600 1.998 1.00 0.00 O ATOM 0 H GLY A 32 -4.918 6.535 3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.266 8.578 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.869 8.234 1.164 1.00 0.00 H new ATOM 387 N ARG A 33 -6.654 6.733 0.067 1.00 0.00 N ATOM 388 CA ARG A 33 -7.358 5.663 -0.629 1.00 0.00 C ATOM 389 C ARG A 33 -6.402 4.851 -1.516 1.00 0.00 C ATOM 390 O ARG A 33 -5.231 5.173 -1.635 1.00 0.00 O ATOM 391 CB ARG A 33 -8.572 6.205 -1.375 1.00 0.00 C ATOM 392 CG ARG A 33 -9.821 6.331 -0.503 1.00 0.00 C ATOM 393 CD ARG A 33 -9.525 6.932 0.869 1.00 0.00 C ATOM 394 NE ARG A 33 -9.169 8.347 0.799 1.00 0.00 N ATOM 395 CZ ARG A 33 -8.742 9.054 1.843 1.00 0.00 C ATOM 396 NH1 ARG A 33 -8.602 8.479 3.032 1.00 0.00 N ATOM 397 NH2 ARG A 33 -8.453 10.340 1.699 1.00 0.00 N ATOM 0 H ARG A 33 -6.503 7.569 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.745 4.960 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.327 7.184 -1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.792 5.550 -2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.556 6.952 -1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.270 5.346 -0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.399 6.813 1.510 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.710 6.379 1.335 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.252 8.820 -0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.822 7.490 3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.274 9.026 3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.558 10.787 0.788 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.126 10.882 2.499 1.00 0.00 H new ATOM 411 N VAL A 34 -6.891 3.740 -2.040 1.00 0.00 N ATOM 412 CA VAL A 34 -6.066 2.795 -2.821 1.00 0.00 C ATOM 413 C VAL A 34 -6.245 2.860 -4.339 1.00 0.00 C ATOM 414 O VAL A 34 -7.308 3.219 -4.823 1.00 0.00 O ATOM 415 CB VAL A 34 -6.330 1.347 -2.366 1.00 0.00 C ATOM 416 CG1 VAL A 34 -7.758 0.934 -2.685 1.00 0.00 C ATOM 417 CG2 VAL A 34 -5.333 0.389 -3.003 1.00 0.00 C ATOM 0 H VAL A 34 -7.866 3.456 -1.944 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.042 3.107 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.198 1.301 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.922 -0.092 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.452 1.597 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.924 1.000 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.539 -0.627 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.424 0.438 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.321 0.670 -2.711 1.00 0.00 H new ATOM 427 N VAL A 35 -5.202 2.432 -5.076 1.00 0.00 N ATOM 428 CA VAL A 35 -5.265 2.345 -6.543 1.00 0.00 C ATOM 429 C VAL A 35 -4.774 0.970 -6.973 1.00 0.00 C ATOM 430 O VAL A 35 -5.420 0.276 -7.757 1.00 0.00 O ATOM 431 CB VAL A 35 -4.388 3.356 -7.319 1.00 0.00 C ATOM 432 CG1 VAL A 35 -5.096 3.854 -8.566 1.00 0.00 C ATOM 433 CG2 VAL A 35 -3.916 4.498 -6.454 1.00 0.00 C ATOM 0 H VAL A 35 -4.309 2.142 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.307 2.558 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.493 2.820 -7.634 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.455 4.563 -9.090 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.316 3.011 -9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.027 4.347 -8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.305 5.177 -7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.778 5.036 -6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.323 4.107 -5.627 1.00 0.00 H new ATOM 443 N ASP A 36 -3.603 0.595 -6.450 1.00 0.00 N ATOM 444 CA ASP A 36 -2.990 -0.689 -6.773 1.00 0.00 C ATOM 445 C ASP A 36 -1.942 -1.085 -5.725 1.00 0.00 C ATOM 446 O ASP A 36 -1.521 -0.259 -4.915 1.00 0.00 O ATOM 447 CB ASP A 36 -2.350 -0.625 -8.163 1.00 0.00 C ATOM 448 CG ASP A 36 -1.970 -1.990 -8.705 1.00 0.00 C ATOM 449 OD1 ASP A 36 -2.296 -3.004 -8.053 1.00 0.00 O ATOM 450 OD2 ASP A 36 -1.354 -2.047 -9.790 1.00 0.00 O ATOM 0 H ASP A 36 -3.063 1.166 -5.800 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.771 -1.450 -6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.043 -0.146 -8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.460 0.003 -8.118 1.00 0.00 H new ATOM 455 N GLU A 37 -1.506 -2.344 -5.766 1.00 0.00 N ATOM 456 CA GLU A 37 -0.482 -2.840 -4.845 1.00 0.00 C ATOM 457 C GLU A 37 0.643 -3.520 -5.625 1.00 0.00 C ATOM 458 O GLU A 37 0.389 -4.395 -6.453 1.00 0.00 O ATOM 459 CB GLU A 37 -1.082 -3.827 -3.838 1.00 0.00 C ATOM 460 CG GLU A 37 -0.064 -4.357 -2.838 1.00 0.00 C ATOM 461 CD GLU A 37 -0.640 -5.407 -1.906 1.00 0.00 C ATOM 462 OE1 GLU A 37 -1.826 -5.763 -2.068 1.00 0.00 O ATOM 463 OE2 GLU A 37 0.099 -5.878 -1.016 1.00 0.00 O ATOM 0 H GLU A 37 -1.847 -3.041 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.079 -1.988 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.892 -3.337 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.521 -4.665 -4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.781 -4.783 -3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.323 -3.527 -2.247 1.00 0.00 H new ATOM 470 N THR A 38 1.885 -3.110 -5.372 1.00 0.00 N ATOM 471 CA THR A 38 3.033 -3.685 -6.075 1.00 0.00 C ATOM 472 C THR A 38 4.061 -4.274 -5.106 1.00 0.00 C ATOM 473 O THR A 38 4.156 -3.861 -3.953 1.00 0.00 O ATOM 474 CB THR A 38 3.694 -2.624 -6.954 1.00 0.00 C ATOM 475 OG1 THR A 38 2.770 -2.103 -7.893 1.00 0.00 O ATOM 476 CG2 THR A 38 4.888 -3.142 -7.728 1.00 0.00 C ATOM 0 H THR A 38 2.122 -2.388 -4.692 1.00 0.00 H new ATOM 0 HA THR A 38 2.662 -4.499 -6.698 1.00 0.00 H new ATOM 0 HB THR A 38 4.036 -1.853 -6.263 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.212 -1.424 -8.445 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.308 -2.337 -8.331 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.643 -3.506 -7.031 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.573 -3.957 -8.380 1.00 0.00 H new ATOM 484 N ARG A 39 4.825 -5.245 -5.605 1.00 0.00 N ATOM 485 CA ARG A 39 5.859 -5.925 -4.819 1.00 0.00 C ATOM 486 C ARG A 39 6.654 -4.969 -3.929 1.00 0.00 C ATOM 487 O ARG A 39 7.054 -5.337 -2.824 1.00 0.00 O ATOM 488 CB ARG A 39 6.822 -6.660 -5.744 1.00 0.00 C ATOM 489 CG ARG A 39 7.519 -5.766 -6.759 1.00 0.00 C ATOM 490 CD ARG A 39 6.813 -5.794 -8.101 1.00 0.00 C ATOM 491 NE ARG A 39 7.458 -4.923 -9.081 1.00 0.00 N ATOM 492 CZ ARG A 39 7.021 -4.756 -10.327 1.00 0.00 C ATOM 493 NH1 ARG A 39 5.944 -5.405 -10.752 1.00 0.00 N ATOM 494 NH2 ARG A 39 7.662 -3.939 -11.150 1.00 0.00 N ATOM 0 H ARG A 39 4.746 -5.584 -6.564 1.00 0.00 H new ATOM 0 HA ARG A 39 5.341 -6.629 -4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.578 -7.161 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.274 -7.437 -6.277 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.550 -4.743 -6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.552 -6.091 -6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.797 -6.816 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.776 -5.486 -7.971 1.00 0.00 H new ATOM 0 HE ARG A 39 8.293 -4.413 -8.793 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.447 -6.035 -10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.613 -5.273 -11.708 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.490 -3.438 -10.829 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.327 -3.811 -12.105 1.00 0.00 H new ATOM 508 N ASN A 40 6.895 -3.754 -4.406 1.00 0.00 N ATOM 509 CA ASN A 40 7.661 -2.780 -3.629 1.00 0.00 C ATOM 510 C ASN A 40 7.169 -1.355 -3.849 1.00 0.00 C ATOM 511 O ASN A 40 7.924 -0.397 -3.676 1.00 0.00 O ATOM 512 CB ASN A 40 9.156 -2.875 -3.965 1.00 0.00 C ATOM 513 CG ASN A 40 9.506 -2.517 -5.409 1.00 0.00 C ATOM 514 OD1 ASN A 40 10.679 -2.524 -5.778 1.00 0.00 O ATOM 515 ND2 ASN A 40 8.512 -2.202 -6.241 1.00 0.00 N ATOM 0 H ASN A 40 6.577 -3.420 -5.316 1.00 0.00 H new ATOM 0 HA ASN A 40 7.512 -3.024 -2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.708 -2.215 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.497 -3.890 -3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.716 -1.959 -7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.548 -2.204 -5.908 1.00 0.00 H new ATOM 522 N THR A 41 5.904 -1.215 -4.219 1.00 0.00 N ATOM 523 CA THR A 41 5.327 0.103 -4.447 1.00 0.00 C ATOM 524 C THR A 41 3.821 0.087 -4.253 1.00 0.00 C ATOM 525 O THR A 41 3.155 -0.910 -4.526 1.00 0.00 O ATOM 526 CB THR A 41 5.677 0.618 -5.843 1.00 0.00 C ATOM 527 OG1 THR A 41 5.566 -0.412 -6.810 1.00 0.00 O ATOM 528 CG2 THR A 41 7.070 1.197 -5.930 1.00 0.00 C ATOM 0 H THR A 41 5.261 -1.992 -4.367 1.00 0.00 H new ATOM 0 HA THR A 41 5.757 0.781 -3.710 1.00 0.00 H new ATOM 0 HB THR A 41 4.959 1.413 -6.045 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.794 -0.056 -7.694 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.257 1.545 -6.946 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.160 2.034 -5.238 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.800 0.430 -5.669 1.00 0.00 H new ATOM 536 N LEU A 42 3.296 1.203 -3.770 1.00 0.00 N ATOM 537 CA LEU A 42 1.865 1.328 -3.529 1.00 0.00 C ATOM 538 C LEU A 42 1.247 2.418 -4.379 1.00 0.00 C ATOM 539 O LEU A 42 1.918 3.356 -4.810 1.00 0.00 O ATOM 540 CB LEU A 42 1.581 1.622 -2.056 1.00 0.00 C ATOM 541 CG LEU A 42 1.699 0.426 -1.114 1.00 0.00 C ATOM 542 CD1 LEU A 42 1.456 0.853 0.330 1.00 0.00 C ATOM 543 CD2 LEU A 42 0.716 -0.668 -1.520 1.00 0.00 C ATOM 0 H LEU A 42 3.838 2.035 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 42 1.416 0.373 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.269 2.398 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.574 2.031 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 42 2.711 0.028 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.545 -0.013 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.194 1.602 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.456 1.276 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.812 -1.514 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.301 -0.279 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.934 -0.994 -2.537 1.00 0.00 H new ATOM 555 N ARG A 43 -0.050 2.290 -4.589 1.00 0.00 N ATOM 556 CA ARG A 43 -0.809 3.255 -5.356 1.00 0.00 C ATOM 557 C ARG A 43 -2.038 3.661 -4.552 1.00 0.00 C ATOM 558 O ARG A 43 -2.872 2.815 -4.222 1.00 0.00 O ATOM 559 CB ARG A 43 -1.225 2.656 -6.700 1.00 0.00 C ATOM 560 CG ARG A 43 -0.621 3.345 -7.917 1.00 0.00 C ATOM 561 CD ARG A 43 -0.891 4.844 -7.939 1.00 0.00 C ATOM 562 NE ARG A 43 -0.198 5.503 -9.044 1.00 0.00 N ATOM 563 CZ ARG A 43 -0.276 6.808 -9.294 1.00 0.00 C ATOM 564 NH1 ARG A 43 -1.018 7.595 -8.525 1.00 0.00 N ATOM 565 NH2 ARG A 43 0.387 7.328 -10.318 1.00 0.00 N ATOM 0 H ARG A 43 -0.606 1.513 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.194 4.133 -5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.941 1.604 -6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.311 2.695 -6.779 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.455 3.174 -7.929 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.026 2.894 -8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.963 5.019 -8.026 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.572 5.285 -6.995 1.00 0.00 H new ATOM 0 HE ARG A 43 0.379 4.930 -9.659 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.532 7.201 -7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.074 8.594 -8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.957 6.728 -10.914 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.327 8.328 -10.509 1.00 0.00 H new ATOM 579 N ILE A 44 -2.132 4.951 -4.230 1.00 0.00 N ATOM 580 CA ILE A 44 -3.244 5.481 -3.437 1.00 0.00 C ATOM 581 C ILE A 44 -4.265 6.233 -4.292 1.00 0.00 C ATOM 582 O ILE A 44 -4.036 7.373 -4.693 1.00 0.00 O ATOM 583 CB ILE A 44 -2.704 6.425 -2.328 1.00 0.00 C ATOM 584 CG1 ILE A 44 -1.847 5.635 -1.337 1.00 0.00 C ATOM 585 CG2 ILE A 44 -3.817 7.172 -1.600 1.00 0.00 C ATOM 586 CD1 ILE A 44 -1.254 6.486 -0.235 1.00 0.00 C ATOM 0 H ILE A 44 -1.447 5.654 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.752 4.627 -2.990 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.089 7.180 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.455 4.849 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.039 5.144 -1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.383 7.817 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.375 7.779 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.490 6.455 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.659 5.859 0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.619 7.256 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.056 6.957 0.333 1.00 0.00 H new ATOM 598 N GLU A 45 -5.405 5.585 -4.550 1.00 0.00 N ATOM 599 CA GLU A 45 -6.461 6.190 -5.331 1.00 0.00 C ATOM 600 C GLU A 45 -7.691 6.370 -4.466 1.00 0.00 C ATOM 601 O GLU A 45 -8.056 5.471 -3.669 1.00 0.00 O ATOM 602 CB GLU A 45 -6.814 5.355 -6.574 1.00 0.00 C ATOM 603 CG GLU A 45 -8.065 5.843 -7.302 1.00 0.00 C ATOM 604 CD GLU A 45 -8.625 4.823 -8.276 1.00 0.00 C ATOM 605 OE1 GLU A 45 -8.164 3.664 -8.260 1.00 0.00 O ATOM 606 OE2 GLU A 45 -9.543 5.182 -9.044 1.00 0.00 O ATOM 0 H GLU A 45 -5.610 4.640 -4.224 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.103 7.159 -5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.971 5.373 -7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.959 4.317 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.831 6.093 -6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.829 6.760 -7.842 1.00 0.00 H new ATOM 613 N MET A 46 -8.300 7.545 -4.647 1.00 0.00 N ATOM 614 CA MET A 46 -9.498 7.956 -3.932 1.00 0.00 C ATOM 615 C MET A 46 -10.713 7.894 -4.854 1.00 0.00 C ATOM 616 O MET A 46 -10.648 8.328 -6.006 1.00 0.00 O ATOM 617 CB MET A 46 -9.324 9.387 -3.405 1.00 0.00 C ATOM 618 CG MET A 46 -8.316 9.529 -2.270 1.00 0.00 C ATOM 619 SD MET A 46 -6.659 8.937 -2.675 1.00 0.00 S ATOM 620 CE MET A 46 -6.030 10.298 -3.649 1.00 0.00 C ATOM 0 H MET A 46 -7.964 8.245 -5.308 1.00 0.00 H new ATOM 0 HA MET A 46 -9.655 7.277 -3.094 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.015 10.029 -4.230 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.291 9.754 -3.062 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.255 10.579 -1.982 1.00 0.00 H new ATOM 0 HG3 MET A 46 -8.683 8.982 -1.402 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.925 9.984 -4.688 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.723 11.137 -3.592 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.058 10.603 -3.262 1.00 0.00 H new ATOM 630 N ASP A 47 -11.816 7.353 -4.339 1.00 0.00 N ATOM 631 CA ASP A 47 -13.050 7.229 -5.114 1.00 0.00 C ATOM 632 C ASP A 47 -13.407 8.536 -5.818 1.00 0.00 C ATOM 633 O ASP A 47 -14.083 8.531 -6.847 1.00 0.00 O ATOM 634 CB ASP A 47 -14.205 6.784 -4.214 1.00 0.00 C ATOM 635 CG ASP A 47 -14.422 7.719 -3.039 1.00 0.00 C ATOM 636 OD1 ASP A 47 -13.647 8.687 -2.898 1.00 0.00 O ATOM 637 OD2 ASP A 47 -15.366 7.478 -2.255 1.00 0.00 O ATOM 0 H ASP A 47 -11.880 6.993 -3.387 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.881 6.472 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.120 6.729 -4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.005 5.779 -3.842 1.00 0.00 H new ATOM 642 N ASP A 48 -12.941 9.650 -5.267 1.00 0.00 N ATOM 643 CA ASP A 48 -13.203 10.958 -5.855 1.00 0.00 C ATOM 644 C ASP A 48 -12.545 11.085 -7.231 1.00 0.00 C ATOM 645 O ASP A 48 -12.814 12.030 -7.971 1.00 0.00 O ATOM 646 CB ASP A 48 -12.694 12.074 -4.937 1.00 0.00 C ATOM 647 CG ASP A 48 -13.395 12.089 -3.593 1.00 0.00 C ATOM 648 OD1 ASP A 48 -13.282 11.091 -2.853 1.00 0.00 O ATOM 649 OD2 ASP A 48 -14.056 13.101 -3.280 1.00 0.00 O ATOM 0 H ASP A 48 -12.381 9.674 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.282 11.056 -5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.622 11.951 -4.782 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.837 13.037 -5.428 1.00 0.00 H new ATOM 654 N GLY A 49 -11.678 10.129 -7.564 1.00 0.00 N ATOM 655 CA GLY A 49 -10.995 10.158 -8.842 1.00 0.00 C ATOM 656 C GLY A 49 -9.572 10.663 -8.723 1.00 0.00 C ATOM 657 O GLY A 49 -8.994 11.156 -9.693 1.00 0.00 O ATOM 0 H GLY A 49 -11.439 9.336 -6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.988 9.156 -9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.548 10.795 -9.532 1.00 0.00 H new ATOM 661 N ARG A 50 -9.004 10.532 -7.529 1.00 0.00 N ATOM 662 CA ARG A 50 -7.633 10.973 -7.282 1.00 0.00 C ATOM 663 C ARG A 50 -6.693 9.774 -7.208 1.00 0.00 C ATOM 664 O ARG A 50 -7.129 8.651 -6.960 1.00 0.00 O ATOM 665 CB ARG A 50 -7.560 11.778 -5.984 1.00 0.00 C ATOM 666 CG ARG A 50 -8.440 13.017 -5.985 1.00 0.00 C ATOM 667 CD ARG A 50 -8.365 13.755 -4.657 1.00 0.00 C ATOM 668 NE ARG A 50 -9.244 14.922 -4.627 1.00 0.00 N ATOM 669 CZ ARG A 50 -9.386 15.716 -3.567 1.00 0.00 C ATOM 670 NH1 ARG A 50 -8.710 15.471 -2.452 1.00 0.00 N ATOM 671 NH2 ARG A 50 -10.208 16.755 -3.623 1.00 0.00 N ATOM 0 H ARG A 50 -9.469 10.125 -6.718 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.321 11.611 -8.109 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -7.851 11.137 -5.152 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.526 12.077 -5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.131 13.683 -6.791 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.472 12.731 -6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.637 13.076 -3.849 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.338 14.071 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.780 15.141 -5.467 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.078 14.672 -2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.822 16.082 -1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.731 16.946 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.317 17.363 -2.812 1.00 0.00 H new ATOM 685 N GLU A 51 -5.403 10.013 -7.427 1.00 0.00 N ATOM 686 CA GLU A 51 -4.420 8.937 -7.386 1.00 0.00 C ATOM 687 C GLU A 51 -3.038 9.455 -6.990 1.00 0.00 C ATOM 688 O GLU A 51 -2.609 10.517 -7.443 1.00 0.00 O ATOM 689 CB GLU A 51 -4.337 8.254 -8.751 1.00 0.00 C ATOM 690 CG GLU A 51 -5.654 7.655 -9.216 1.00 0.00 C ATOM 691 CD GLU A 51 -5.543 6.980 -10.570 1.00 0.00 C ATOM 692 OE1 GLU A 51 -5.192 7.672 -11.549 1.00 0.00 O ATOM 693 OE2 GLU A 51 -5.806 5.763 -10.650 1.00 0.00 O ATOM 0 H GLU A 51 -5.017 10.934 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.744 8.219 -6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.997 8.979 -9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.585 7.466 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.999 6.929 -8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.408 8.440 -9.267 1.00 0.00 H new ATOM 700 N ILE A 52 -2.341 8.691 -6.152 1.00 0.00 N ATOM 701 CA ILE A 52 -1.000 9.065 -5.703 1.00 0.00 C ATOM 702 C ILE A 52 -0.206 7.837 -5.250 1.00 0.00 C ATOM 703 O ILE A 52 -0.610 7.129 -4.333 1.00 0.00 O ATOM 704 CB ILE A 52 -1.059 10.091 -4.554 1.00 0.00 C ATOM 705 CG1 ILE A 52 0.350 10.521 -4.143 1.00 0.00 C ATOM 706 CG2 ILE A 52 -1.812 9.518 -3.364 1.00 0.00 C ATOM 707 CD1 ILE A 52 0.367 11.545 -3.019 1.00 0.00 C ATOM 0 H ILE A 52 -2.682 7.809 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.494 9.520 -6.555 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.596 10.971 -4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.913 9.642 -3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.862 10.937 -5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.843 10.257 -2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.829 9.265 -3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.305 8.621 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.398 11.805 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.169 12.440 -3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.116 11.125 -2.137 1.00 0.00 H new ATOM 719 N THR A 53 0.924 7.587 -5.911 1.00 0.00 N ATOM 720 CA THR A 53 1.769 6.439 -5.587 1.00 0.00 C ATOM 721 C THR A 53 2.636 6.696 -4.354 1.00 0.00 C ATOM 722 O THR A 53 2.953 7.840 -4.031 1.00 0.00 O ATOM 723 CB THR A 53 2.661 6.089 -6.780 1.00 0.00 C ATOM 724 OG1 THR A 53 3.488 4.978 -6.479 1.00 0.00 O ATOM 725 CG2 THR A 53 3.562 7.228 -7.209 1.00 0.00 C ATOM 0 H THR A 53 1.275 8.165 -6.675 1.00 0.00 H new ATOM 0 HA THR A 53 1.108 5.602 -5.362 1.00 0.00 H new ATOM 0 HB THR A 53 1.975 5.862 -7.596 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.005 4.360 -5.892 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.167 6.913 -8.059 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.953 8.086 -7.495 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.215 7.507 -6.382 1.00 0.00 H new ATOM 733 N VAL A 54 3.018 5.614 -3.673 1.00 0.00 N ATOM 734 CA VAL A 54 3.852 5.707 -2.478 1.00 0.00 C ATOM 735 C VAL A 54 4.717 4.450 -2.311 1.00 0.00 C ATOM 736 O VAL A 54 4.196 3.338 -2.229 1.00 0.00 O ATOM 737 CB VAL A 54 2.993 5.898 -1.211 1.00 0.00 C ATOM 738 CG1 VAL A 54 3.877 6.060 0.019 1.00 0.00 C ATOM 739 CG2 VAL A 54 2.067 7.094 -1.370 1.00 0.00 C ATOM 0 H VAL A 54 2.761 4.661 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 54 4.498 6.576 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 54 2.381 5.007 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.251 6.193 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.494 5.170 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.518 6.932 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.469 7.214 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.660 7.994 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.408 6.933 -2.223 1.00 0.00 H new ATOM 749 N PRO A 55 6.056 4.608 -2.262 1.00 0.00 N ATOM 750 CA PRO A 55 6.988 3.478 -2.109 1.00 0.00 C ATOM 751 C PRO A 55 6.757 2.679 -0.826 1.00 0.00 C ATOM 752 O PRO A 55 6.935 3.194 0.277 1.00 0.00 O ATOM 753 CB PRO A 55 8.368 4.146 -2.069 1.00 0.00 C ATOM 754 CG PRO A 55 8.171 5.480 -2.701 1.00 0.00 C ATOM 755 CD PRO A 55 6.769 5.894 -2.361 1.00 0.00 C ATOM 0 HA PRO A 55 6.865 2.756 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.729 4.244 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.107 3.557 -2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.894 6.202 -2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.311 5.425 -3.781 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.729 6.450 -1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.340 6.535 -3.131 1.00 0.00 H new ATOM 763 N LYS A 56 6.363 1.416 -0.982 1.00 0.00 N ATOM 764 CA LYS A 56 6.110 0.538 0.160 1.00 0.00 C ATOM 765 C LYS A 56 7.274 -0.415 0.420 1.00 0.00 C ATOM 766 O LYS A 56 7.216 -1.217 1.349 1.00 0.00 O ATOM 767 CB LYS A 56 4.839 -0.280 -0.043 1.00 0.00 C ATOM 768 CG LYS A 56 4.918 -1.246 -1.214 1.00 0.00 C ATOM 769 CD LYS A 56 3.815 -2.295 -1.157 1.00 0.00 C ATOM 770 CE LYS A 56 3.969 -3.204 0.054 1.00 0.00 C ATOM 771 NZ LYS A 56 2.920 -4.258 0.093 1.00 0.00 N ATOM 0 H LYS A 56 6.212 0.977 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 56 5.991 1.190 1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.629 -0.842 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.001 0.399 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.844 -0.691 -2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.890 -1.740 -1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.844 -1.801 -1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.834 -2.894 -2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.953 -3.672 0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.918 -2.607 0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.953 -4.747 1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.984 -3.822 -0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.088 -4.943 -0.671 1.00 0.00 H new ATOM 785 N GLY A 57 8.315 -0.352 -0.409 1.00 0.00 N ATOM 786 CA GLY A 57 9.449 -1.253 -0.237 1.00 0.00 C ATOM 787 C GLY A 57 9.945 -1.307 1.197 1.00 0.00 C ATOM 788 O GLY A 57 10.558 -2.291 1.611 1.00 0.00 O ATOM 0 H GLY A 57 8.396 0.299 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.162 -2.255 -0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.264 -0.933 -0.887 1.00 0.00 H new ATOM 792 N ILE A 58 9.658 -0.259 1.961 1.00 0.00 N ATOM 793 CA ILE A 58 10.049 -0.191 3.357 1.00 0.00 C ATOM 794 C ILE A 58 9.047 0.661 4.124 1.00 0.00 C ATOM 795 O ILE A 58 9.400 1.699 4.685 1.00 0.00 O ATOM 796 CB ILE A 58 11.462 0.408 3.547 1.00 0.00 C ATOM 797 CG1 ILE A 58 12.483 -0.288 2.640 1.00 0.00 C ATOM 798 CG2 ILE A 58 11.883 0.307 5.008 1.00 0.00 C ATOM 799 CD1 ILE A 58 12.422 0.170 1.199 1.00 0.00 C ATOM 0 H ILE A 58 9.151 0.561 1.629 1.00 0.00 H new ATOM 0 HA ILE A 58 10.065 -1.212 3.737 1.00 0.00 H new ATOM 0 HB ILE A 58 11.429 1.460 3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.485 -0.107 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.316 -1.365 2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 58 12.879 0.732 5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.176 0.857 5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.895 -0.740 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.172 -0.364 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.432 -0.036 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.619 1.241 1.149 1.00 0.00 H new ATOM 811 N ALA A 59 7.784 0.239 4.122 1.00 0.00 N ATOM 812 CA ALA A 59 6.743 1.010 4.801 1.00 0.00 C ATOM 813 C ALA A 59 5.617 0.154 5.387 1.00 0.00 C ATOM 814 O ALA A 59 4.817 -0.428 4.657 1.00 0.00 O ATOM 815 CB ALA A 59 6.162 2.041 3.844 1.00 0.00 C ATOM 0 H ALA A 59 7.460 -0.615 3.668 1.00 0.00 H new ATOM 0 HA ALA A 59 7.226 1.497 5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.387 2.614 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.952 2.715 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.731 1.534 2.981 1.00 0.00 H new ATOM 821 N VAL A 60 5.529 0.122 6.715 1.00 0.00 N ATOM 822 CA VAL A 60 4.471 -0.625 7.388 1.00 0.00 C ATOM 823 C VAL A 60 3.156 0.138 7.273 1.00 0.00 C ATOM 824 O VAL A 60 3.126 1.354 7.458 1.00 0.00 O ATOM 825 CB VAL A 60 4.800 -0.858 8.877 1.00 0.00 C ATOM 826 CG1 VAL A 60 4.963 0.467 9.610 1.00 0.00 C ATOM 827 CG2 VAL A 60 3.726 -1.714 9.535 1.00 0.00 C ATOM 0 H VAL A 60 6.174 0.602 7.343 1.00 0.00 H new ATOM 0 HA VAL A 60 4.386 -1.598 6.904 1.00 0.00 H new ATOM 0 HB VAL A 60 5.747 -1.394 8.938 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.195 0.277 10.658 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.774 1.036 9.157 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.037 1.037 9.541 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.976 -1.867 10.585 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.763 -1.209 9.461 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.670 -2.679 9.031 1.00 0.00 H new ATOM 837 N PHE A 61 2.069 -0.564 6.959 1.00 0.00 N ATOM 838 CA PHE A 61 0.780 0.098 6.817 1.00 0.00 C ATOM 839 C PHE A 61 -0.371 -0.859 7.081 1.00 0.00 C ATOM 840 O PHE A 61 -0.203 -2.079 7.049 1.00 0.00 O ATOM 841 CB PHE A 61 0.656 0.714 5.422 1.00 0.00 C ATOM 842 CG PHE A 61 0.807 -0.275 4.304 1.00 0.00 C ATOM 843 CD1 PHE A 61 -0.161 -1.238 4.077 1.00 0.00 C ATOM 844 CD2 PHE A 61 1.919 -0.239 3.478 1.00 0.00 C ATOM 845 CE1 PHE A 61 -0.024 -2.146 3.046 1.00 0.00 C ATOM 846 CE2 PHE A 61 2.063 -1.148 2.448 1.00 0.00 C ATOM 847 CZ PHE A 61 1.091 -2.102 2.230 1.00 0.00 C ATOM 0 H PHE A 61 2.056 -1.572 6.801 1.00 0.00 H new ATOM 0 HA PHE A 61 0.725 0.891 7.562 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.316 1.200 5.335 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.412 1.491 5.311 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.033 -1.280 4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.682 0.508 3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.788 -2.891 2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.936 -1.112 1.814 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.201 -2.813 1.424 1.00 0.00 H new ATOM 857 N HIS A 62 -1.540 -0.294 7.359 1.00 0.00 N ATOM 858 CA HIS A 62 -2.722 -1.087 7.649 1.00 0.00 C ATOM 859 C HIS A 62 -3.878 -0.725 6.720 1.00 0.00 C ATOM 860 O HIS A 62 -4.264 0.440 6.610 1.00 0.00 O ATOM 861 CB HIS A 62 -3.132 -0.881 9.107 1.00 0.00 C ATOM 862 CG HIS A 62 -4.324 -1.683 9.519 1.00 0.00 C ATOM 863 ND1 HIS A 62 -4.430 -3.037 9.291 1.00 0.00 N ATOM 864 CD2 HIS A 62 -5.451 -1.324 10.175 1.00 0.00 C ATOM 865 CE1 HIS A 62 -5.570 -3.476 9.789 1.00 0.00 C ATOM 866 NE2 HIS A 62 -6.210 -2.458 10.334 1.00 0.00 N ATOM 0 H HIS A 62 -1.692 0.714 7.389 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.480 -2.137 7.482 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.292 -1.140 9.751 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.344 0.176 9.269 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -3.736 -3.611 8.812 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.707 -0.330 10.511 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -5.921 -4.497 9.756 1.00 0.00 H new ATOM 875 N PHE A 63 -4.427 -1.739 6.063 1.00 0.00 N ATOM 876 CA PHE A 63 -5.548 -1.555 5.149 1.00 0.00 C ATOM 877 C PHE A 63 -6.871 -1.797 5.863 1.00 0.00 C ATOM 878 O PHE A 63 -6.958 -2.629 6.766 1.00 0.00 O ATOM 879 CB PHE A 63 -5.430 -2.503 3.953 1.00 0.00 C ATOM 880 CG PHE A 63 -4.511 -2.017 2.866 1.00 0.00 C ATOM 881 CD1 PHE A 63 -3.372 -1.286 3.167 1.00 0.00 C ATOM 882 CD2 PHE A 63 -4.792 -2.292 1.537 1.00 0.00 C ATOM 883 CE1 PHE A 63 -2.535 -0.841 2.162 1.00 0.00 C ATOM 884 CE2 PHE A 63 -3.959 -1.848 0.528 1.00 0.00 C ATOM 885 CZ PHE A 63 -2.828 -1.121 0.842 1.00 0.00 C ATOM 0 H PHE A 63 -4.111 -2.705 6.147 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.522 -0.526 4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.076 -3.472 4.306 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.422 -2.661 3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.137 -1.062 4.197 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.675 -2.862 1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.650 -0.273 2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.192 -2.069 -0.503 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.174 -0.772 0.057 1.00 0.00 H new ATOM 895 N ARG A 64 -7.901 -1.071 5.449 1.00 0.00 N ATOM 896 CA ARG A 64 -9.223 -1.211 6.043 1.00 0.00 C ATOM 897 C ARG A 64 -10.302 -1.244 4.966 1.00 0.00 C ATOM 898 O ARG A 64 -10.395 -0.337 4.140 1.00 0.00 O ATOM 899 CB ARG A 64 -9.499 -0.055 7.010 1.00 0.00 C ATOM 900 CG ARG A 64 -8.818 -0.201 8.361 1.00 0.00 C ATOM 901 CD ARG A 64 -9.454 -1.311 9.182 1.00 0.00 C ATOM 902 NE ARG A 64 -8.925 -1.358 10.544 1.00 0.00 N ATOM 903 CZ ARG A 64 -9.370 -2.188 11.483 1.00 0.00 C ATOM 904 NH1 ARG A 64 -10.355 -3.035 11.217 1.00 0.00 N ATOM 905 NH2 ARG A 64 -8.829 -2.170 12.694 1.00 0.00 N ATOM 0 H ARG A 64 -7.846 -0.378 4.703 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.246 -2.153 6.592 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.171 0.877 6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.575 0.027 7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.759 -0.414 8.216 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.882 0.740 8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.533 -1.163 9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.280 -2.269 8.692 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.170 -0.717 10.788 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.776 -3.052 10.288 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.692 -3.669 11.941 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.072 -1.520 12.905 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.170 -2.806 13.414 1.00 0.00 H new ATOM 919 N THR A 65 -11.120 -2.291 4.982 1.00 0.00 N ATOM 920 CA THR A 65 -12.194 -2.432 4.005 1.00 0.00 C ATOM 921 C THR A 65 -13.529 -1.995 4.608 1.00 0.00 C ATOM 922 O THR A 65 -13.914 -2.467 5.681 1.00 0.00 O ATOM 923 CB THR A 65 -12.288 -3.879 3.522 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.061 -4.302 2.958 1.00 0.00 O ATOM 925 CG2 THR A 65 -13.368 -4.095 2.483 1.00 0.00 C ATOM 0 H THR A 65 -11.060 -3.052 5.658 1.00 0.00 H new ATOM 0 HA THR A 65 -11.968 -1.790 3.154 1.00 0.00 H new ATOM 0 HB THR A 65 -12.536 -4.462 4.409 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.142 -5.231 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.380 -5.143 2.184 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.337 -3.826 2.904 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.165 -3.471 1.612 1.00 0.00 H new ATOM 933 N PRO A 66 -14.259 -1.088 3.926 1.00 0.00 N ATOM 934 CA PRO A 66 -15.554 -0.591 4.404 1.00 0.00 C ATOM 935 C PRO A 66 -16.526 -1.719 4.730 1.00 0.00 C ATOM 936 O PRO A 66 -17.442 -1.548 5.534 1.00 0.00 O ATOM 937 CB PRO A 66 -16.084 0.255 3.235 1.00 0.00 C ATOM 938 CG PRO A 66 -15.217 -0.083 2.069 1.00 0.00 C ATOM 939 CD PRO A 66 -13.888 -0.478 2.643 1.00 0.00 C ATOM 0 HA PRO A 66 -15.448 -0.029 5.332 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.129 0.024 3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -16.032 1.319 3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.648 -0.897 1.486 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.114 0.770 1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.361 -1.181 1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.233 0.383 2.778 1.00 0.00 H new ATOM 947 N GLN A 67 -16.317 -2.874 4.106 1.00 0.00 N ATOM 948 CA GLN A 67 -17.175 -4.031 4.340 1.00 0.00 C ATOM 949 C GLN A 67 -17.030 -4.541 5.773 1.00 0.00 C ATOM 950 O GLN A 67 -17.828 -5.358 6.234 1.00 0.00 O ATOM 951 CB GLN A 67 -16.836 -5.149 3.353 1.00 0.00 C ATOM 952 CG GLN A 67 -17.018 -4.750 1.895 1.00 0.00 C ATOM 953 CD GLN A 67 -16.683 -5.863 0.909 1.00 0.00 C ATOM 954 OE1 GLN A 67 -16.788 -5.674 -0.304 1.00 0.00 O ATOM 955 NE2 GLN A 67 -16.280 -7.030 1.412 1.00 0.00 N ATOM 0 H GLN A 67 -15.564 -3.034 3.437 1.00 0.00 H new ATOM 0 HA GLN A 67 -18.209 -3.720 4.189 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.803 -5.460 3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.465 -6.013 3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -18.050 -4.437 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.388 -3.886 1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.204 -7.151 2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.047 -7.802 0.787 1.00 0.00 H new ATOM 964 N GLY A 68 -16.007 -4.056 6.476 1.00 0.00 N ATOM 965 CA GLY A 68 -15.780 -4.477 7.844 1.00 0.00 C ATOM 966 C GLY A 68 -14.646 -5.475 7.956 1.00 0.00 C ATOM 967 O GLY A 68 -14.699 -6.396 8.771 1.00 0.00 O ATOM 0 H GLY A 68 -15.333 -3.379 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.556 -3.605 8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.693 -4.921 8.242 1.00 0.00 H new ATOM 971 N GLU A 69 -13.617 -5.292 7.135 1.00 0.00 N ATOM 972 CA GLU A 69 -12.465 -6.188 7.147 1.00 0.00 C ATOM 973 C GLU A 69 -11.166 -5.408 7.327 1.00 0.00 C ATOM 974 O GLU A 69 -11.073 -4.242 6.945 1.00 0.00 O ATOM 975 CB GLU A 69 -12.410 -7.004 5.855 1.00 0.00 C ATOM 976 CG GLU A 69 -13.646 -7.857 5.621 1.00 0.00 C ATOM 977 CD GLU A 69 -13.571 -8.651 4.332 1.00 0.00 C ATOM 978 OE1 GLU A 69 -12.636 -9.468 4.191 1.00 0.00 O ATOM 979 OE2 GLU A 69 -14.447 -8.457 3.463 1.00 0.00 O ATOM 0 H GLU A 69 -13.557 -4.534 6.455 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.578 -6.868 7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.282 -6.325 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.532 -7.650 5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.774 -8.543 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.527 -7.215 5.597 1.00 0.00 H new ATOM 986 N LEU A 70 -10.169 -6.060 7.914 1.00 0.00 N ATOM 987 CA LEU A 70 -8.877 -5.430 8.148 1.00 0.00 C ATOM 988 C LEU A 70 -7.757 -6.227 7.487 1.00 0.00 C ATOM 989 O LEU A 70 -7.806 -7.455 7.430 1.00 0.00 O ATOM 990 CB LEU A 70 -8.622 -5.286 9.657 1.00 0.00 C ATOM 991 CG LEU A 70 -8.220 -6.561 10.418 1.00 0.00 C ATOM 992 CD1 LEU A 70 -9.236 -7.673 10.205 1.00 0.00 C ATOM 993 CD2 LEU A 70 -6.822 -7.025 10.017 1.00 0.00 C ATOM 0 H LEU A 70 -10.232 -7.026 8.237 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.892 -4.436 7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.837 -4.544 9.799 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.526 -4.886 10.117 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.204 -6.317 11.480 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.924 -8.561 10.755 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.212 -7.348 10.564 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.300 -7.909 9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.565 -7.928 10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.802 -7.237 8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.099 -6.242 10.245 1.00 0.00 H new ATOM 1005 N VAL A 71 -6.745 -5.522 6.988 1.00 0.00 N ATOM 1006 CA VAL A 71 -5.617 -6.174 6.329 1.00 0.00 C ATOM 1007 C VAL A 71 -4.296 -5.456 6.616 1.00 0.00 C ATOM 1008 O VAL A 71 -4.023 -4.398 6.054 1.00 0.00 O ATOM 1009 CB VAL A 71 -5.836 -6.237 4.807 1.00 0.00 C ATOM 1010 CG1 VAL A 71 -4.664 -6.920 4.116 1.00 0.00 C ATOM 1011 CG2 VAL A 71 -7.139 -6.952 4.486 1.00 0.00 C ATOM 0 H VAL A 71 -6.683 -4.505 7.027 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.557 -7.184 6.733 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.900 -5.216 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.843 -6.952 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.749 -6.362 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.559 -7.936 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.278 -6.987 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.104 -7.967 4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.971 -6.414 4.941 1.00 0.00 H new ATOM 1021 N GLU A 72 -3.476 -6.049 7.483 1.00 0.00 N ATOM 1022 CA GLU A 72 -2.177 -5.473 7.834 1.00 0.00 C ATOM 1023 C GLU A 72 -1.088 -5.968 6.885 1.00 0.00 C ATOM 1024 O GLU A 72 -1.117 -7.119 6.447 1.00 0.00 O ATOM 1025 CB GLU A 72 -1.805 -5.843 9.274 1.00 0.00 C ATOM 1026 CG GLU A 72 -2.768 -5.301 10.317 1.00 0.00 C ATOM 1027 CD GLU A 72 -2.439 -5.779 11.718 1.00 0.00 C ATOM 1028 OE1 GLU A 72 -1.318 -5.500 12.191 1.00 0.00 O ATOM 1029 OE2 GLU A 72 -3.301 -6.433 12.341 1.00 0.00 O ATOM 0 H GLU A 72 -3.688 -6.928 7.956 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.254 -4.389 7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.764 -6.929 9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.804 -5.468 9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.747 -4.211 10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.783 -5.605 10.062 1.00 0.00 H new ATOM 1036 N ILE A 73 -0.122 -5.104 6.571 1.00 0.00 N ATOM 1037 CA ILE A 73 0.969 -5.480 5.678 1.00 0.00 C ATOM 1038 C ILE A 73 2.244 -4.725 6.040 1.00 0.00 C ATOM 1039 O ILE A 73 2.217 -3.518 6.278 1.00 0.00 O ATOM 1040 CB ILE A 73 0.607 -5.213 4.204 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -0.679 -5.955 3.831 1.00 0.00 C ATOM 1042 CG2 ILE A 73 1.749 -5.628 3.286 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.101 -5.755 2.389 1.00 0.00 C ATOM 0 H ILE A 73 -0.074 -4.147 6.920 1.00 0.00 H new ATOM 0 HA ILE A 73 1.138 -6.550 5.802 1.00 0.00 H new ATOM 0 HB ILE A 73 0.441 -4.143 4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.540 -7.020 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.484 -5.621 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.473 -5.431 2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.644 -5.058 3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.949 -6.692 3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.019 -6.310 2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.273 -4.695 2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.314 -6.116 1.726 1.00 0.00 H new ATOM 1055 N ASP A 74 3.359 -5.446 6.094 1.00 0.00 N ATOM 1056 CA ASP A 74 4.639 -4.845 6.446 1.00 0.00 C ATOM 1057 C ASP A 74 5.427 -4.420 5.208 1.00 0.00 C ATOM 1058 O ASP A 74 6.088 -5.236 4.568 1.00 0.00 O ATOM 1059 CB ASP A 74 5.472 -5.825 7.276 1.00 0.00 C ATOM 1060 CG ASP A 74 4.783 -6.217 8.568 1.00 0.00 C ATOM 1061 OD1 ASP A 74 3.671 -6.780 8.501 1.00 0.00 O ATOM 1062 OD2 ASP A 74 5.357 -5.961 9.648 1.00 0.00 O ATOM 0 H ASP A 74 3.402 -6.446 5.899 1.00 0.00 H new ATOM 0 HA ASP A 74 4.430 -3.951 7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.669 -6.720 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.438 -5.374 7.504 1.00 0.00 H new ATOM 1067 N GLY A 75 5.372 -3.129 4.894 1.00 0.00 N ATOM 1068 CA GLY A 75 6.097 -2.604 3.753 1.00 0.00 C ATOM 1069 C GLY A 75 7.584 -2.884 3.826 1.00 0.00 C ATOM 1070 O GLY A 75 8.293 -2.692 2.846 1.00 0.00 O ATOM 0 H GLY A 75 4.835 -2.435 5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.694 -3.041 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.937 -1.528 3.690 1.00 0.00 H new ATOM 1074 N ARG A 76 8.066 -3.304 4.992 1.00 0.00 N ATOM 1075 CA ARG A 76 9.476 -3.596 5.168 1.00 0.00 C ATOM 1076 C ARG A 76 9.738 -5.070 4.888 1.00 0.00 C ATOM 1077 O ARG A 76 10.784 -5.442 4.355 1.00 0.00 O ATOM 1078 CB ARG A 76 9.927 -3.217 6.585 1.00 0.00 C ATOM 1079 CG ARG A 76 11.414 -3.417 6.850 1.00 0.00 C ATOM 1080 CD ARG A 76 11.742 -4.859 7.212 1.00 0.00 C ATOM 1081 NE ARG A 76 10.981 -5.321 8.370 1.00 0.00 N ATOM 1082 CZ ARG A 76 11.085 -6.542 8.888 1.00 0.00 C ATOM 1083 NH1 ARG A 76 11.917 -7.427 8.354 1.00 0.00 N ATOM 1084 NH2 ARG A 76 10.355 -6.880 9.942 1.00 0.00 N ATOM 0 H ARG A 76 7.497 -3.448 5.826 1.00 0.00 H new ATOM 0 HA ARG A 76 10.055 -3.002 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.676 -2.172 6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.360 -3.809 7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.982 -3.128 5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.729 -2.760 7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.530 -5.504 6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.808 -4.946 7.421 1.00 0.00 H new ATOM 0 HE ARG A 76 10.331 -4.668 8.808 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.480 -7.172 7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.993 -8.362 8.755 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.713 -6.204 10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.435 -7.816 10.339 1.00 0.00 H new ATOM 1098 N ALA A 77 8.766 -5.899 5.239 1.00 0.00 N ATOM 1099 CA ALA A 77 8.857 -7.333 5.025 1.00 0.00 C ATOM 1100 C ALA A 77 8.219 -7.744 3.697 1.00 0.00 C ATOM 1101 O ALA A 77 8.204 -8.925 3.348 1.00 0.00 O ATOM 1102 CB ALA A 77 8.205 -8.080 6.181 1.00 0.00 C ATOM 0 H ALA A 77 7.896 -5.597 5.678 1.00 0.00 H new ATOM 0 HA ALA A 77 9.913 -7.598 4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.280 -9.154 6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.713 -7.826 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.155 -7.796 6.252 1.00 0.00 H new ATOM 1108 N LEU A 78 7.696 -6.766 2.959 1.00 0.00 N ATOM 1109 CA LEU A 78 7.064 -7.029 1.672 1.00 0.00 C ATOM 1110 C LEU A 78 7.923 -6.503 0.530 1.00 0.00 C ATOM 1111 O LEU A 78 7.413 -5.985 -0.464 1.00 0.00 O ATOM 1112 CB LEU A 78 5.664 -6.408 1.610 1.00 0.00 C ATOM 1113 CG LEU A 78 4.543 -7.254 2.223 1.00 0.00 C ATOM 1114 CD1 LEU A 78 4.482 -8.622 1.559 1.00 0.00 C ATOM 1115 CD2 LEU A 78 4.726 -7.400 3.726 1.00 0.00 C ATOM 0 H LEU A 78 7.699 -5.783 3.233 1.00 0.00 H new ATOM 0 HA LEU A 78 6.966 -8.109 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.689 -5.445 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.418 -6.211 0.567 1.00 0.00 H new ATOM 0 HG LEU A 78 3.599 -6.739 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.680 -9.209 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.290 -8.501 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.432 -9.138 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.916 -8.005 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.680 -7.885 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.713 -6.415 4.192 1.00 0.00 H new ATOM 1127 N VAL A 79 9.233 -6.648 0.683 1.00 0.00 N ATOM 1128 CA VAL A 79 10.189 -6.201 -0.328 1.00 0.00 C ATOM 1129 C VAL A 79 9.777 -6.675 -1.724 1.00 0.00 C ATOM 1130 O VAL A 79 8.955 -7.580 -1.862 1.00 0.00 O ATOM 1131 CB VAL A 79 11.609 -6.714 -0.013 1.00 0.00 C ATOM 1132 CG1 VAL A 79 11.641 -8.235 -0.011 1.00 0.00 C ATOM 1133 CG2 VAL A 79 12.620 -6.155 -1.003 1.00 0.00 C ATOM 0 H VAL A 79 9.663 -7.075 1.504 1.00 0.00 H new ATOM 0 HA VAL A 79 10.192 -5.111 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 79 11.883 -6.364 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.651 -8.577 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.954 -8.612 0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.341 -8.607 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.614 -6.531 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.351 -6.466 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.621 -5.066 -0.947 1.00 0.00 H new ATOM 1143 N ALA A 80 10.340 -6.046 -2.754 1.00 0.00 N ATOM 1144 CA ALA A 80 10.017 -6.387 -4.140 1.00 0.00 C ATOM 1145 C ALA A 80 10.056 -7.895 -4.371 1.00 0.00 C ATOM 1146 O ALA A 80 10.611 -8.644 -3.567 1.00 0.00 O ATOM 1147 CB ALA A 80 10.977 -5.686 -5.087 1.00 0.00 C ATOM 0 H ALA A 80 11.024 -5.296 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 80 9.001 -6.047 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.728 -5.946 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.895 -4.607 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.998 -6.001 -4.870 1.00 0.00 H new ATOM 1153 N ARG A 81 9.441 -8.335 -5.469 1.00 0.00 N ATOM 1154 CA ARG A 81 9.387 -9.752 -5.797 1.00 0.00 C ATOM 1155 C ARG A 81 10.788 -10.345 -5.927 1.00 0.00 C ATOM 1156 O ARG A 81 11.547 -9.965 -6.818 1.00 0.00 O ATOM 1157 CB ARG A 81 8.612 -9.979 -7.094 1.00 0.00 C ATOM 1158 CG ARG A 81 7.103 -9.959 -6.916 1.00 0.00 C ATOM 1159 CD ARG A 81 6.625 -11.135 -6.075 1.00 0.00 C ATOM 1160 NE ARG A 81 5.177 -11.116 -5.874 1.00 0.00 N ATOM 1161 CZ ARG A 81 4.539 -10.185 -5.164 1.00 0.00 C ATOM 1162 NH1 ARG A 81 5.218 -9.224 -4.552 1.00 0.00 N ATOM 1163 NH2 ARG A 81 3.218 -10.225 -5.058 1.00 0.00 N ATOM 0 H ARG A 81 8.975 -7.728 -6.143 1.00 0.00 H new ATOM 0 HA ARG A 81 8.871 -10.256 -4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.894 -9.211 -7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.906 -10.939 -7.519 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.804 -9.025 -6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.620 -9.988 -7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.911 -12.068 -6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.125 -11.114 -5.107 1.00 0.00 H new ATOM 0 HE ARG A 81 4.623 -11.858 -6.302 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.235 -9.194 -4.623 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.723 -8.515 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.692 -10.967 -5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.728 -9.514 -4.515 1.00 0.00 H new ATOM 1177 N PRO A 82 11.158 -11.286 -5.041 1.00 0.00 N ATOM 1178 CA PRO A 82 12.476 -11.918 -5.075 1.00 0.00 C ATOM 1179 C PRO A 82 12.559 -13.064 -6.082 1.00 0.00 C ATOM 1180 O PRO A 82 13.649 -13.530 -6.414 1.00 0.00 O ATOM 1181 CB PRO A 82 12.631 -12.445 -3.653 1.00 0.00 C ATOM 1182 CG PRO A 82 11.241 -12.778 -3.225 1.00 0.00 C ATOM 1183 CD PRO A 82 10.329 -11.808 -3.937 1.00 0.00 C ATOM 0 HA PRO A 82 13.256 -11.223 -5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 82 13.277 -13.323 -3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 82 13.079 -11.697 -2.999 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.991 -13.807 -3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.136 -12.687 -2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.432 -12.303 -4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.999 -11.009 -3.273 1.00 0.00 H new ATOM 1191 N GLU A 83 11.405 -13.519 -6.557 1.00 0.00 N ATOM 1192 CA GLU A 83 11.356 -14.619 -7.518 1.00 0.00 C ATOM 1193 C GLU A 83 10.913 -14.144 -8.899 1.00 0.00 C ATOM 1194 O GLU A 83 11.230 -14.771 -9.909 1.00 0.00 O ATOM 1195 CB GLU A 83 10.412 -15.713 -7.018 1.00 0.00 C ATOM 1196 CG GLU A 83 10.826 -16.310 -5.683 1.00 0.00 C ATOM 1197 CD GLU A 83 9.878 -17.393 -5.208 1.00 0.00 C ATOM 1198 OE1 GLU A 83 9.718 -18.400 -5.928 1.00 0.00 O ATOM 1199 OE2 GLU A 83 9.294 -17.234 -4.115 1.00 0.00 O ATOM 0 H GLU A 83 10.493 -13.146 -6.295 1.00 0.00 H new ATOM 0 HA GLU A 83 12.365 -15.021 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.407 -15.300 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.363 -16.508 -7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.830 -16.725 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.872 -15.519 -4.934 1.00 0.00 H new ATOM 1206 N GLU A 84 10.175 -13.043 -8.938 1.00 0.00 N ATOM 1207 CA GLU A 84 9.685 -12.496 -10.201 1.00 0.00 C ATOM 1208 C GLU A 84 10.643 -11.448 -10.770 1.00 0.00 C ATOM 1209 O GLU A 84 10.302 -10.745 -11.720 1.00 0.00 O ATOM 1210 CB GLU A 84 8.297 -11.881 -10.015 1.00 0.00 C ATOM 1211 CG GLU A 84 7.266 -12.858 -9.472 1.00 0.00 C ATOM 1212 CD GLU A 84 5.890 -12.236 -9.325 1.00 0.00 C ATOM 1213 OE1 GLU A 84 5.738 -11.039 -9.654 1.00 0.00 O ATOM 1214 OE2 GLU A 84 4.963 -12.945 -8.881 1.00 0.00 O ATOM 0 H GLU A 84 9.901 -12.510 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 84 9.622 -13.320 -10.911 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.373 -11.032 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.949 -11.494 -10.973 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.202 -13.719 -10.137 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.598 -13.229 -8.502 1.00 0.00 H new ATOM 1221 N ARG A 85 11.834 -11.345 -10.187 1.00 0.00 N ATOM 1222 CA ARG A 85 12.830 -10.378 -10.643 1.00 0.00 C ATOM 1223 C ARG A 85 12.350 -8.951 -10.398 1.00 0.00 C ATOM 1224 O ARG A 85 11.155 -8.708 -10.235 1.00 0.00 O ATOM 1225 CB ARG A 85 13.134 -10.582 -12.130 1.00 0.00 C ATOM 1226 CG ARG A 85 14.183 -9.626 -12.674 1.00 0.00 C ATOM 1227 CD ARG A 85 14.444 -9.870 -14.152 1.00 0.00 C ATOM 1228 NE ARG A 85 14.920 -11.228 -14.407 1.00 0.00 N ATOM 1229 CZ ARG A 85 15.214 -11.695 -15.618 1.00 0.00 C ATOM 1230 NH1 ARG A 85 15.084 -10.917 -16.686 1.00 0.00 N ATOM 1231 NH2 ARG A 85 15.641 -12.942 -15.762 1.00 0.00 N ATOM 0 H ARG A 85 12.134 -11.918 -9.398 1.00 0.00 H new ATOM 0 HA ARG A 85 13.744 -10.539 -10.072 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.473 -11.606 -12.286 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.213 -10.460 -12.700 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.852 -8.598 -12.526 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.111 -9.745 -12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.528 -9.695 -14.716 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.182 -9.153 -14.513 1.00 0.00 H new ATOM 0 HE ARG A 85 15.034 -11.855 -13.610 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.757 -9.956 -16.581 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.311 -11.280 -17.612 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.744 -13.543 -14.945 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.866 -13.300 -16.690 1.00 0.00 H new ATOM 1245 N ILE A 86 13.290 -8.013 -10.369 1.00 0.00 N ATOM 1246 CA ILE A 86 12.962 -6.612 -10.138 1.00 0.00 C ATOM 1247 C ILE A 86 12.919 -5.833 -11.449 1.00 0.00 C ATOM 1248 O ILE A 86 13.539 -6.227 -12.437 1.00 0.00 O ATOM 1249 CB ILE A 86 13.983 -5.947 -9.195 1.00 0.00 C ATOM 1250 CG1 ILE A 86 14.163 -6.787 -7.930 1.00 0.00 C ATOM 1251 CG2 ILE A 86 13.536 -4.536 -8.838 1.00 0.00 C ATOM 1252 CD1 ILE A 86 12.876 -7.029 -7.173 1.00 0.00 C ATOM 0 H ILE A 86 14.284 -8.198 -10.502 1.00 0.00 H new ATOM 0 HA ILE A 86 11.977 -6.590 -9.673 1.00 0.00 H new ATOM 0 HB ILE A 86 14.942 -5.885 -9.709 1.00 0.00 H new ATOM 0 HG12 ILE A 86 14.601 -7.748 -8.202 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.873 -6.288 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 86 14.268 -4.080 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 86 13.452 -3.940 -9.747 1.00 0.00 H new ATOM 0 HG23 ILE A 86 12.567 -4.576 -8.340 1.00 0.00 H new ATOM 0 HD11 ILE A 86 13.082 -7.631 -6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 86 12.447 -6.074 -6.870 1.00 0.00 H new ATOM 0 HD13 ILE A 86 12.170 -7.556 -7.815 1.00 0.00 H new TER 1264 ILE A 86