USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 856 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+ -177:sc= 0 (180deg=-0.00737) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 46:sc= 0.616 USER MOD Single : A 30 HIS : no HD1:sc= -4.71! C(o=-4.7!,f=-4.4!) USER MOD Single : A 35 GLN : amide:sc= -1.6! C(o=-1.6!,f=-4.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -3.58! C(o=-7.1!,f=-3.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 72:sc= 0.0833 USER MOD Single : A 58 SER OG : rot -59:sc= 0.793 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot -21:sc= 0.614 USER MOD Single : B 5 SER OG : rot 180:sc= -0.0793 USER MOD Single : B 19 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.118) USER MOD Single : B 25 SER OG : rot 51:sc= 0.929 USER MOD Single : B 30 HIS :FLIP no HE2:sc= -4.97! C(o=-6.2!,f=-5!) USER MOD Single : B 35 GLN : amide:sc= -1.3 K(o=-1.3,f=-4!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 45 ASN :FLIP amide:sc= -0.943 F(o=-2.4!,f=-0.94) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 54 THR OG1 : rot 180:sc= 0 USER MOD Single : B 55 SER OG : rot 79:sc= 0.605 USER MOD Single : B 58 SER OG : rot -47:sc= 0.788 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.941 20.243 -9.410 1.00 0.00 N ATOM 2 CA GLY A 1 8.158 20.130 -10.262 1.00 0.00 C ATOM 3 C GLY A 1 9.041 18.965 -9.859 1.00 0.00 C ATOM 4 O GLY A 1 9.536 18.229 -10.712 1.00 0.00 O ATOM 0 H1 GLY A 1 6.346 21.022 -9.757 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.405 19.353 -9.451 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.222 20.433 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.859 20.012 -11.304 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.730 21.055 -10.197 1.00 0.00 H new ATOM 10 N SER A 2 9.239 18.801 -8.555 1.00 0.00 N ATOM 11 CA SER A 2 10.069 17.721 -8.033 1.00 0.00 C ATOM 12 C SER A 2 9.967 17.640 -6.512 1.00 0.00 C ATOM 13 O SER A 2 10.977 17.532 -5.816 1.00 0.00 O ATOM 14 CB SER A 2 11.528 17.921 -8.452 1.00 0.00 C ATOM 15 OG SER A 2 11.990 19.211 -8.098 1.00 0.00 O ATOM 0 H SER A 2 8.835 19.404 -7.839 1.00 0.00 H new ATOM 0 HA SER A 2 9.705 16.783 -8.452 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.153 17.165 -7.976 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.622 17.781 -9.529 1.00 0.00 H new ATOM 0 HG SER A 2 12.925 19.311 -8.375 1.00 0.00 H new ATOM 21 N ALA A 3 8.738 17.690 -6.006 1.00 0.00 N ATOM 22 CA ALA A 3 8.498 17.621 -4.568 1.00 0.00 C ATOM 23 C ALA A 3 8.983 16.293 -3.996 1.00 0.00 C ATOM 24 O ALA A 3 8.717 15.229 -4.556 1.00 0.00 O ATOM 25 CB ALA A 3 7.020 17.817 -4.271 1.00 0.00 C ATOM 0 H ALA A 3 7.893 17.778 -6.570 1.00 0.00 H new ATOM 0 HA ALA A 3 9.063 18.422 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.855 17.763 -3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.701 18.792 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.443 17.036 -4.766 1.00 0.00 H new ATOM 31 N ALA A 4 9.698 16.364 -2.877 1.00 0.00 N ATOM 32 CA ALA A 4 10.223 15.171 -2.222 1.00 0.00 C ATOM 33 C ALA A 4 9.149 14.466 -1.397 1.00 0.00 C ATOM 34 O ALA A 4 9.379 14.105 -0.243 1.00 0.00 O ATOM 35 CB ALA A 4 11.411 15.536 -1.342 1.00 0.00 C ATOM 0 H ALA A 4 9.927 17.238 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 4 10.552 14.480 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.795 14.638 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.195 15.981 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.095 16.251 -0.582 1.00 0.00 H new ATOM 41 N SER A 5 7.975 14.274 -1.993 1.00 0.00 N ATOM 42 CA SER A 5 6.869 13.614 -1.303 1.00 0.00 C ATOM 43 C SER A 5 7.222 12.175 -0.917 1.00 0.00 C ATOM 44 O SER A 5 7.034 11.782 0.234 1.00 0.00 O ATOM 45 CB SER A 5 5.608 13.624 -2.169 1.00 0.00 C ATOM 46 OG SER A 5 5.168 14.946 -2.420 1.00 0.00 O ATOM 0 H SER A 5 7.765 14.564 -2.948 1.00 0.00 H new ATOM 0 HA SER A 5 6.679 14.175 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.809 13.120 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.817 13.063 -1.670 1.00 0.00 H new ATOM 0 HG SER A 5 4.362 14.922 -2.977 1.00 0.00 H new ATOM 52 N PRO A 6 7.733 11.360 -1.864 1.00 0.00 N ATOM 53 CA PRO A 6 8.091 9.968 -1.582 1.00 0.00 C ATOM 54 C PRO A 6 9.086 9.842 -0.440 1.00 0.00 C ATOM 55 O PRO A 6 9.843 10.769 -0.152 1.00 0.00 O ATOM 56 CB PRO A 6 8.717 9.458 -2.882 1.00 0.00 C ATOM 57 CG PRO A 6 8.989 10.675 -3.705 1.00 0.00 C ATOM 58 CD PRO A 6 7.992 11.713 -3.270 1.00 0.00 C ATOM 0 HA PRO A 6 7.216 9.397 -1.272 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.636 8.906 -2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.042 8.777 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.009 11.028 -3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.884 10.457 -4.768 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.393 12.722 -3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.082 11.674 -3.869 1.00 0.00 H new ATOM 66 N ALA A 7 9.070 8.684 0.207 1.00 0.00 N ATOM 67 CA ALA A 7 9.958 8.413 1.325 1.00 0.00 C ATOM 68 C ALA A 7 9.720 9.389 2.458 1.00 0.00 C ATOM 69 O ALA A 7 10.641 9.776 3.178 1.00 0.00 O ATOM 70 CB ALA A 7 11.406 8.448 0.875 1.00 0.00 C ATOM 0 H ALA A 7 8.445 7.913 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 7 9.739 7.412 1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 7 12.056 8.243 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.566 7.693 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.638 9.433 0.470 1.00 0.00 H new ATOM 76 N VAL A 8 8.462 9.745 2.624 1.00 0.00 N ATOM 77 CA VAL A 8 8.041 10.632 3.685 1.00 0.00 C ATOM 78 C VAL A 8 7.889 9.810 4.950 1.00 0.00 C ATOM 79 O VAL A 8 6.835 9.774 5.579 1.00 0.00 O ATOM 80 CB VAL A 8 6.726 11.357 3.334 1.00 0.00 C ATOM 81 CG1 VAL A 8 5.605 10.358 3.092 1.00 0.00 C ATOM 82 CG2 VAL A 8 6.348 12.353 4.419 1.00 0.00 C ATOM 0 H VAL A 8 7.702 9.425 2.024 1.00 0.00 H new ATOM 0 HA VAL A 8 8.791 11.409 3.829 1.00 0.00 H new ATOM 0 HB VAL A 8 6.883 11.914 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.688 10.893 2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.875 9.701 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.448 9.763 3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.417 12.851 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.216 11.828 5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.139 13.095 4.523 1.00 0.00 H new ATOM 92 N ASP A 9 8.960 9.093 5.257 1.00 0.00 N ATOM 93 CA ASP A 9 9.002 8.181 6.380 1.00 0.00 C ATOM 94 C ASP A 9 8.264 6.921 5.972 1.00 0.00 C ATOM 95 O ASP A 9 8.136 5.971 6.738 1.00 0.00 O ATOM 96 CB ASP A 9 8.392 8.807 7.630 1.00 0.00 C ATOM 97 CG ASP A 9 9.166 10.019 8.107 1.00 0.00 C ATOM 98 OD1 ASP A 9 10.366 9.872 8.421 1.00 0.00 O ATOM 99 OD2 ASP A 9 8.573 11.117 8.165 1.00 0.00 O ATOM 0 H ASP A 9 9.830 9.132 4.726 1.00 0.00 H new ATOM 0 HA ASP A 9 10.035 7.945 6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.362 9.096 7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.360 8.064 8.426 1.00 0.00 H new ATOM 104 N ILE A 10 7.837 6.956 4.710 1.00 0.00 N ATOM 105 CA ILE A 10 7.136 5.895 4.021 1.00 0.00 C ATOM 106 C ILE A 10 5.848 5.420 4.703 1.00 0.00 C ATOM 107 O ILE A 10 4.822 5.283 4.040 1.00 0.00 O ATOM 108 CB ILE A 10 8.076 4.741 3.721 1.00 0.00 C ATOM 109 CG1 ILE A 10 7.679 4.131 2.392 1.00 0.00 C ATOM 110 CG2 ILE A 10 8.066 3.718 4.836 1.00 0.00 C ATOM 111 CD1 ILE A 10 7.683 5.137 1.248 1.00 0.00 C ATOM 0 H ILE A 10 7.983 7.773 4.117 1.00 0.00 H new ATOM 0 HA ILE A 10 6.794 6.331 3.082 1.00 0.00 H new ATOM 0 HB ILE A 10 9.100 5.108 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.363 3.316 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.684 3.696 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.749 2.905 4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.383 4.190 5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.058 3.321 4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.390 4.638 0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.978 5.939 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.684 5.554 1.134 1.00 0.00 H new ATOM 123 N GLY A 11 5.870 5.195 6.009 1.00 0.00 N ATOM 124 CA GLY A 11 4.661 4.780 6.687 1.00 0.00 C ATOM 125 C GLY A 11 3.640 5.866 6.616 1.00 0.00 C ATOM 126 O GLY A 11 2.465 5.658 6.900 1.00 0.00 O ATOM 0 H GLY A 11 6.693 5.291 6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.270 3.871 6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.881 4.543 7.728 1.00 0.00 H new ATOM 130 N ASP A 12 4.104 7.028 6.206 1.00 0.00 N ATOM 131 CA ASP A 12 3.244 8.169 6.049 1.00 0.00 C ATOM 132 C ASP A 12 2.431 7.975 4.788 1.00 0.00 C ATOM 133 O ASP A 12 1.240 8.275 4.725 1.00 0.00 O ATOM 134 CB ASP A 12 4.088 9.432 5.944 1.00 0.00 C ATOM 135 CG ASP A 12 3.264 10.674 5.666 1.00 0.00 C ATOM 136 OD1 ASP A 12 2.639 10.743 4.588 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.244 11.578 6.527 1.00 0.00 O ATOM 0 H ASP A 12 5.082 7.202 5.975 1.00 0.00 H new ATOM 0 HA ASP A 12 2.579 8.269 6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.642 9.570 6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.824 9.306 5.150 1.00 0.00 H new ATOM 142 N ARG A 13 3.112 7.426 3.800 1.00 0.00 N ATOM 143 CA ARG A 13 2.538 7.112 2.516 1.00 0.00 C ATOM 144 C ARG A 13 1.427 6.098 2.713 1.00 0.00 C ATOM 145 O ARG A 13 0.289 6.255 2.267 1.00 0.00 O ATOM 146 CB ARG A 13 3.651 6.482 1.695 1.00 0.00 C ATOM 147 CG ARG A 13 4.893 7.344 1.559 1.00 0.00 C ATOM 148 CD ARG A 13 4.740 8.389 0.480 1.00 0.00 C ATOM 149 NE ARG A 13 3.624 9.296 0.746 1.00 0.00 N ATOM 150 CZ ARG A 13 3.252 10.276 -0.072 1.00 0.00 C ATOM 151 NH1 ARG A 13 3.896 10.476 -1.213 1.00 0.00 N ATOM 152 NH2 ARG A 13 2.230 11.058 0.253 1.00 0.00 N ATOM 0 H ARG A 13 4.100 7.183 3.875 1.00 0.00 H new ATOM 0 HA ARG A 13 2.131 7.996 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.930 5.533 2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.269 6.257 0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.101 7.833 2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.751 6.711 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.662 8.964 0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.586 7.898 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 13 3.099 9.169 1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.681 9.877 -1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.606 11.229 -1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.731 10.907 1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.944 11.810 -0.374 1.00 0.00 H new ATOM 166 N LEU A 14 1.829 5.064 3.409 1.00 0.00 N ATOM 167 CA LEU A 14 1.017 3.926 3.777 1.00 0.00 C ATOM 168 C LEU A 14 -0.160 4.302 4.656 1.00 0.00 C ATOM 169 O LEU A 14 -1.303 3.951 4.372 1.00 0.00 O ATOM 170 CB LEU A 14 1.965 3.046 4.553 1.00 0.00 C ATOM 171 CG LEU A 14 2.936 2.249 3.695 1.00 0.00 C ATOM 172 CD1 LEU A 14 4.268 2.140 4.389 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.383 0.877 3.394 1.00 0.00 C ATOM 0 H LEU A 14 2.786 4.988 3.755 1.00 0.00 H new ATOM 0 HA LEU A 14 0.583 3.452 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.536 3.668 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.382 2.352 5.159 1.00 0.00 H new ATOM 0 HG LEU A 14 3.074 2.773 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.956 1.568 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.674 3.138 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.139 1.635 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.094 0.325 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.216 0.339 4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.439 0.975 2.858 1.00 0.00 H new ATOM 185 N ASP A 15 0.142 4.997 5.734 1.00 0.00 N ATOM 186 CA ASP A 15 -0.872 5.416 6.681 1.00 0.00 C ATOM 187 C ASP A 15 -2.018 6.078 5.945 1.00 0.00 C ATOM 188 O ASP A 15 -3.177 5.727 6.130 1.00 0.00 O ATOM 189 CB ASP A 15 -0.264 6.388 7.686 1.00 0.00 C ATOM 190 CG ASP A 15 -1.172 6.646 8.873 1.00 0.00 C ATOM 191 OD1 ASP A 15 -2.318 7.094 8.659 1.00 0.00 O ATOM 192 OD2 ASP A 15 -0.735 6.405 10.018 1.00 0.00 O ATOM 0 H ASP A 15 1.090 5.286 5.977 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.251 4.544 7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.687 5.990 8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.048 7.333 7.187 1.00 0.00 H new ATOM 197 N GLU A 16 -1.670 7.030 5.095 1.00 0.00 N ATOM 198 CA GLU A 16 -2.655 7.753 4.309 1.00 0.00 C ATOM 199 C GLU A 16 -3.410 6.815 3.379 1.00 0.00 C ATOM 200 O GLU A 16 -4.553 7.075 3.004 1.00 0.00 O ATOM 201 CB GLU A 16 -1.990 8.855 3.490 1.00 0.00 C ATOM 202 CG GLU A 16 -1.270 9.887 4.337 1.00 0.00 C ATOM 203 CD GLU A 16 -0.798 11.077 3.526 1.00 0.00 C ATOM 204 OE1 GLU A 16 -1.653 11.765 2.929 1.00 0.00 O ATOM 205 OE2 GLU A 16 0.424 11.322 3.485 1.00 0.00 O ATOM 0 H GLU A 16 -0.706 7.321 4.931 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.363 8.202 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.279 8.404 2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.747 9.356 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.936 10.232 5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.413 9.420 4.823 1.00 0.00 H new ATOM 212 N LEU A 17 -2.751 5.732 3.005 1.00 0.00 N ATOM 213 CA LEU A 17 -3.329 4.749 2.107 1.00 0.00 C ATOM 214 C LEU A 17 -4.444 3.986 2.782 1.00 0.00 C ATOM 215 O LEU A 17 -5.529 3.818 2.230 1.00 0.00 O ATOM 216 CB LEU A 17 -2.254 3.764 1.638 1.00 0.00 C ATOM 217 CG LEU A 17 -2.741 2.721 0.630 1.00 0.00 C ATOM 218 CD1 LEU A 17 -3.797 3.319 -0.281 1.00 0.00 C ATOM 219 CD2 LEU A 17 -1.581 2.192 -0.191 1.00 0.00 C ATOM 0 H LEU A 17 -1.804 5.510 3.314 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.738 5.282 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.434 4.327 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.849 3.247 2.508 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.183 1.891 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.133 2.565 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.644 3.657 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.374 4.165 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.947 1.451 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.113 3.015 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.848 1.729 0.470 1.00 0.00 H new ATOM 231 N GLU A 18 -4.159 3.534 3.978 1.00 0.00 N ATOM 232 CA GLU A 18 -5.120 2.786 4.764 1.00 0.00 C ATOM 233 C GLU A 18 -6.271 3.673 5.118 1.00 0.00 C ATOM 234 O GLU A 18 -7.426 3.273 5.041 1.00 0.00 O ATOM 235 CB GLU A 18 -4.464 2.256 6.035 1.00 0.00 C ATOM 236 CG GLU A 18 -5.407 1.478 6.931 1.00 0.00 C ATOM 237 CD GLU A 18 -4.707 0.877 8.135 1.00 0.00 C ATOM 238 OE1 GLU A 18 -3.485 1.088 8.280 1.00 0.00 O ATOM 239 OE2 GLU A 18 -5.382 0.195 8.935 1.00 0.00 O ATOM 0 H GLU A 18 -3.258 3.671 4.437 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.479 1.940 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.627 1.615 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.052 3.094 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.205 2.138 7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.876 0.682 6.353 1.00 0.00 H new ATOM 246 N LYS A 19 -5.945 4.882 5.495 1.00 0.00 N ATOM 247 CA LYS A 19 -6.948 5.839 5.848 1.00 0.00 C ATOM 248 C LYS A 19 -7.865 6.056 4.665 1.00 0.00 C ATOM 249 O LYS A 19 -9.079 6.200 4.809 1.00 0.00 O ATOM 250 CB LYS A 19 -6.279 7.125 6.271 1.00 0.00 C ATOM 251 CG LYS A 19 -5.298 6.880 7.385 1.00 0.00 C ATOM 252 CD LYS A 19 -5.961 6.960 8.746 1.00 0.00 C ATOM 253 CE LYS A 19 -6.572 8.328 8.997 1.00 0.00 C ATOM 254 NZ LYS A 19 -7.284 8.385 10.302 1.00 0.00 N ATOM 0 H LYS A 19 -4.986 5.224 5.564 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.547 5.476 6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.764 7.569 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.033 7.842 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.843 5.897 7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.493 7.613 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.736 6.197 8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.226 6.742 9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.788 9.085 8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.267 8.568 8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.687 9.334 10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.048 7.680 10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.615 8.181 11.072 1.00 0.00 H new ATOM 268 N ALA A 20 -7.261 6.046 3.484 1.00 0.00 N ATOM 269 CA ALA A 20 -7.996 6.208 2.248 1.00 0.00 C ATOM 270 C ALA A 20 -8.876 5.018 2.007 1.00 0.00 C ATOM 271 O ALA A 20 -10.068 5.129 1.731 1.00 0.00 O ATOM 272 CB ALA A 20 -7.033 6.318 1.088 1.00 0.00 C ATOM 0 H ALA A 20 -6.256 5.926 3.362 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.601 7.111 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.593 6.440 0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.383 7.180 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.428 5.413 1.030 1.00 0.00 H new ATOM 278 N LEU A 21 -8.245 3.882 2.106 1.00 0.00 N ATOM 279 CA LEU A 21 -8.876 2.625 1.905 1.00 0.00 C ATOM 280 C LEU A 21 -10.046 2.462 2.836 1.00 0.00 C ATOM 281 O LEU A 21 -11.127 2.041 2.431 1.00 0.00 O ATOM 282 CB LEU A 21 -7.844 1.565 2.133 1.00 0.00 C ATOM 283 CG LEU A 21 -7.704 0.580 1.025 1.00 0.00 C ATOM 284 CD1 LEU A 21 -8.723 0.855 -0.026 1.00 0.00 C ATOM 285 CD2 LEU A 21 -6.340 0.652 0.428 1.00 0.00 C ATOM 0 H LEU A 21 -7.253 3.812 2.335 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.271 2.549 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.880 2.046 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.092 1.028 3.049 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.857 -0.420 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.616 0.132 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.721 0.773 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.578 1.862 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.258 -0.075 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.168 1.653 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.596 0.430 1.193 1.00 0.00 H new ATOM 297 N GLU A 22 -9.823 2.822 4.079 1.00 0.00 N ATOM 298 CA GLU A 22 -10.856 2.758 5.081 1.00 0.00 C ATOM 299 C GLU A 22 -12.114 3.384 4.540 1.00 0.00 C ATOM 300 O GLU A 22 -13.230 2.972 4.859 1.00 0.00 O ATOM 301 CB GLU A 22 -10.420 3.477 6.356 1.00 0.00 C ATOM 302 CG GLU A 22 -9.370 2.729 7.158 1.00 0.00 C ATOM 303 CD GLU A 22 -8.986 3.454 8.433 1.00 0.00 C ATOM 304 OE1 GLU A 22 -8.514 4.606 8.341 1.00 0.00 O ATOM 305 OE2 GLU A 22 -9.159 2.870 9.523 1.00 0.00 O ATOM 0 H GLU A 22 -8.925 3.165 4.420 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.044 1.713 5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.029 4.459 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.295 3.641 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.747 1.737 7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.481 2.587 6.543 1.00 0.00 H new ATOM 312 N ALA A 23 -11.912 4.369 3.690 1.00 0.00 N ATOM 313 CA ALA A 23 -13.010 5.053 3.059 1.00 0.00 C ATOM 314 C ALA A 23 -13.606 4.158 1.990 1.00 0.00 C ATOM 315 O ALA A 23 -14.819 3.991 1.915 1.00 0.00 O ATOM 316 CB ALA A 23 -12.547 6.373 2.463 1.00 0.00 C ATOM 0 H ALA A 23 -10.990 4.712 3.422 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.773 5.276 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.391 6.875 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.143 7.007 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.774 6.185 1.718 1.00 0.00 H new ATOM 322 N LEU A 24 -12.729 3.580 1.171 1.00 0.00 N ATOM 323 CA LEU A 24 -13.154 2.684 0.100 1.00 0.00 C ATOM 324 C LEU A 24 -13.331 1.250 0.572 1.00 0.00 C ATOM 325 O LEU A 24 -13.411 0.333 -0.242 1.00 0.00 O ATOM 326 CB LEU A 24 -12.177 2.726 -1.060 1.00 0.00 C ATOM 327 CG LEU A 24 -12.288 3.990 -1.887 1.00 0.00 C ATOM 328 CD1 LEU A 24 -11.589 5.111 -1.166 1.00 0.00 C ATOM 329 CD2 LEU A 24 -11.736 3.783 -3.276 1.00 0.00 C ATOM 0 H LEU A 24 -11.720 3.717 1.230 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.128 3.043 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.161 2.640 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.349 1.863 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.339 4.254 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.664 6.025 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.057 5.266 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.539 4.855 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.829 4.707 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.685 3.501 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.294 2.991 -3.775 1.00 0.00 H new ATOM 341 N SER A 25 -13.370 1.068 1.881 1.00 0.00 N ATOM 342 CA SER A 25 -13.515 -0.258 2.477 1.00 0.00 C ATOM 343 C SER A 25 -14.631 -1.060 1.812 1.00 0.00 C ATOM 344 O SER A 25 -15.772 -1.063 2.277 1.00 0.00 O ATOM 345 CB SER A 25 -13.781 -0.133 3.974 1.00 0.00 C ATOM 346 OG SER A 25 -14.947 0.630 4.225 1.00 0.00 O ATOM 0 H SER A 25 -13.303 1.826 2.560 1.00 0.00 H new ATOM 0 HA SER A 25 -12.581 -0.796 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.892 -1.126 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.925 0.335 4.460 1.00 0.00 H new ATOM 0 HG SER A 25 -15.665 0.336 3.627 1.00 0.00 H new ATOM 352 N ALA A 26 -14.283 -1.743 0.726 1.00 0.00 N ATOM 353 CA ALA A 26 -15.238 -2.562 -0.014 1.00 0.00 C ATOM 354 C ALA A 26 -16.491 -1.773 -0.355 1.00 0.00 C ATOM 355 O ALA A 26 -17.596 -2.313 -0.429 1.00 0.00 O ATOM 356 CB ALA A 26 -15.605 -3.772 0.801 1.00 0.00 C ATOM 0 H ALA A 26 -13.340 -1.745 0.337 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.769 -2.874 -0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.318 -4.382 0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.709 -4.358 1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.054 -3.454 1.742 1.00 0.00 H new ATOM 362 N GLU A 27 -16.293 -0.491 -0.535 1.00 0.00 N ATOM 363 CA GLU A 27 -17.365 0.444 -0.846 1.00 0.00 C ATOM 364 C GLU A 27 -18.088 0.117 -2.143 1.00 0.00 C ATOM 365 O GLU A 27 -19.301 0.307 -2.243 1.00 0.00 O ATOM 366 CB GLU A 27 -16.786 1.851 -0.896 1.00 0.00 C ATOM 367 CG GLU A 27 -16.565 2.429 0.484 1.00 0.00 C ATOM 368 CD GLU A 27 -17.853 2.873 1.149 1.00 0.00 C ATOM 369 OE1 GLU A 27 -18.717 2.010 1.409 1.00 0.00 O ATOM 370 OE2 GLU A 27 -17.999 4.086 1.405 1.00 0.00 O ATOM 0 H GLU A 27 -15.374 -0.054 -0.471 1.00 0.00 H new ATOM 0 HA GLU A 27 -18.115 0.366 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.839 1.833 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.460 2.499 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.076 1.683 1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.887 3.279 0.412 1.00 0.00 H new ATOM 377 N ASP A 28 -17.356 -0.351 -3.142 1.00 0.00 N ATOM 378 CA ASP A 28 -17.969 -0.664 -4.422 1.00 0.00 C ATOM 379 C ASP A 28 -17.090 -1.571 -5.248 1.00 0.00 C ATOM 380 O ASP A 28 -16.803 -1.301 -6.416 1.00 0.00 O ATOM 381 CB ASP A 28 -18.232 0.626 -5.171 1.00 0.00 C ATOM 382 CG ASP A 28 -19.280 0.477 -6.257 1.00 0.00 C ATOM 383 OD1 ASP A 28 -19.799 -0.646 -6.432 1.00 0.00 O ATOM 384 OD2 ASP A 28 -19.581 1.482 -6.934 1.00 0.00 O ATOM 0 H ASP A 28 -16.351 -0.520 -3.093 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.906 -1.190 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.555 1.391 -4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.301 0.977 -5.617 1.00 0.00 H new ATOM 389 N GLY A 29 -16.668 -2.643 -4.625 1.00 0.00 N ATOM 390 CA GLY A 29 -15.819 -3.598 -5.286 1.00 0.00 C ATOM 391 C GLY A 29 -14.541 -2.962 -5.763 1.00 0.00 C ATOM 392 O GLY A 29 -14.165 -3.103 -6.927 1.00 0.00 O ATOM 0 H GLY A 29 -16.900 -2.875 -3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.587 -4.415 -4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.349 -4.032 -6.134 1.00 0.00 H new ATOM 396 N HIS A 30 -13.879 -2.247 -4.861 1.00 0.00 N ATOM 397 CA HIS A 30 -12.637 -1.575 -5.193 1.00 0.00 C ATOM 398 C HIS A 30 -11.483 -2.563 -5.295 1.00 0.00 C ATOM 399 O HIS A 30 -10.390 -2.315 -4.787 1.00 0.00 O ATOM 400 CB HIS A 30 -12.319 -0.471 -4.178 1.00 0.00 C ATOM 401 CG HIS A 30 -13.183 0.743 -4.347 1.00 0.00 C ATOM 402 ND1 HIS A 30 -13.164 1.513 -5.490 1.00 0.00 N ATOM 403 CD2 HIS A 30 -14.097 1.320 -3.525 1.00 0.00 C ATOM 404 CE1 HIS A 30 -14.021 2.509 -5.366 1.00 0.00 C ATOM 405 NE2 HIS A 30 -14.602 2.413 -4.185 1.00 0.00 N ATOM 0 H HIS A 30 -14.184 -2.120 -3.896 1.00 0.00 H new ATOM 0 HA HIS A 30 -12.767 -1.110 -6.170 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.446 -0.864 -3.169 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.273 -0.183 -4.278 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.375 0.982 -2.537 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -14.214 3.272 -6.105 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -15.312 3.049 -3.821 1.00 0.00 H new ATOM 414 N ASP A 31 -11.732 -3.679 -5.974 1.00 0.00 N ATOM 415 CA ASP A 31 -10.715 -4.704 -6.171 1.00 0.00 C ATOM 416 C ASP A 31 -9.488 -4.101 -6.847 1.00 0.00 C ATOM 417 O ASP A 31 -8.390 -4.652 -6.778 1.00 0.00 O ATOM 418 CB ASP A 31 -11.271 -5.847 -7.021 1.00 0.00 C ATOM 419 CG ASP A 31 -10.235 -6.919 -7.301 1.00 0.00 C ATOM 420 OD1 ASP A 31 -9.720 -7.513 -6.332 1.00 0.00 O ATOM 421 OD2 ASP A 31 -9.940 -7.162 -8.490 1.00 0.00 O ATOM 0 H ASP A 31 -12.634 -3.896 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.425 -5.100 -5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.123 -6.295 -6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.640 -5.447 -7.965 1.00 0.00 H new ATOM 426 N ASP A 32 -9.689 -2.952 -7.489 1.00 0.00 N ATOM 427 CA ASP A 32 -8.608 -2.251 -8.170 1.00 0.00 C ATOM 428 C ASP A 32 -7.581 -1.805 -7.165 1.00 0.00 C ATOM 429 O ASP A 32 -6.382 -1.780 -7.439 1.00 0.00 O ATOM 430 CB ASP A 32 -9.149 -1.049 -8.947 1.00 0.00 C ATOM 431 CG ASP A 32 -10.158 -1.447 -10.004 1.00 0.00 C ATOM 432 OD1 ASP A 32 -9.792 -2.224 -10.912 1.00 0.00 O ATOM 433 OD2 ASP A 32 -11.315 -0.983 -9.926 1.00 0.00 O ATOM 0 H ASP A 32 -10.595 -2.487 -7.551 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.140 -2.932 -8.881 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.613 -0.350 -8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.320 -0.524 -9.421 1.00 0.00 H new ATOM 438 N VAL A 33 -8.070 -1.460 -5.997 1.00 0.00 N ATOM 439 CA VAL A 33 -7.227 -1.017 -4.924 1.00 0.00 C ATOM 440 C VAL A 33 -6.265 -2.111 -4.496 1.00 0.00 C ATOM 441 O VAL A 33 -5.069 -1.876 -4.355 1.00 0.00 O ATOM 442 CB VAL A 33 -8.079 -0.603 -3.736 1.00 0.00 C ATOM 443 CG1 VAL A 33 -7.206 -0.091 -2.608 1.00 0.00 C ATOM 444 CG2 VAL A 33 -9.091 0.436 -4.172 1.00 0.00 C ATOM 0 H VAL A 33 -9.064 -1.480 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.648 -0.165 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.620 -1.471 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.834 0.201 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.519 -0.877 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.636 0.772 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.701 0.731 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.570 1.309 -4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.732 0.017 -4.948 1.00 0.00 H new ATOM 454 N GLY A 34 -6.801 -3.311 -4.296 1.00 0.00 N ATOM 455 CA GLY A 34 -5.976 -4.431 -3.895 1.00 0.00 C ATOM 456 C GLY A 34 -4.934 -4.755 -4.930 1.00 0.00 C ATOM 457 O GLY A 34 -3.826 -5.156 -4.599 1.00 0.00 O ATOM 0 H GLY A 34 -7.792 -3.526 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.488 -4.203 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.606 -5.305 -3.727 1.00 0.00 H new ATOM 461 N GLN A 35 -5.294 -4.571 -6.190 1.00 0.00 N ATOM 462 CA GLN A 35 -4.379 -4.826 -7.287 1.00 0.00 C ATOM 463 C GLN A 35 -3.181 -3.905 -7.186 1.00 0.00 C ATOM 464 O GLN A 35 -2.042 -4.307 -7.421 1.00 0.00 O ATOM 465 CB GLN A 35 -5.098 -4.626 -8.615 1.00 0.00 C ATOM 466 CG GLN A 35 -5.813 -5.865 -9.124 1.00 0.00 C ATOM 467 CD GLN A 35 -4.862 -6.997 -9.461 1.00 0.00 C ATOM 468 OE1 GLN A 35 -4.119 -7.478 -8.605 1.00 0.00 O ATOM 469 NE2 GLN A 35 -4.881 -7.431 -10.716 1.00 0.00 N ATOM 0 H GLN A 35 -6.217 -4.245 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.028 -5.857 -7.232 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.823 -3.820 -8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.374 -4.304 -9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.522 -6.205 -8.369 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.391 -5.606 -10.011 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.513 -7.004 -11.394 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.264 -8.191 -11.002 1.00 0.00 H new ATOM 478 N ARG A 36 -3.457 -2.673 -6.801 1.00 0.00 N ATOM 479 CA ARG A 36 -2.437 -1.677 -6.620 1.00 0.00 C ATOM 480 C ARG A 36 -1.641 -2.023 -5.379 1.00 0.00 C ATOM 481 O ARG A 36 -0.413 -2.016 -5.375 1.00 0.00 O ATOM 482 CB ARG A 36 -3.096 -0.316 -6.451 1.00 0.00 C ATOM 483 CG ARG A 36 -4.009 0.065 -7.597 1.00 0.00 C ATOM 484 CD ARG A 36 -3.233 0.795 -8.663 1.00 0.00 C ATOM 485 NE ARG A 36 -4.055 1.114 -9.828 1.00 0.00 N ATOM 486 CZ ARG A 36 -3.572 1.647 -10.945 1.00 0.00 C ATOM 487 NH1 ARG A 36 -2.274 1.893 -11.056 1.00 0.00 N ATOM 488 NH2 ARG A 36 -4.385 1.927 -11.955 1.00 0.00 N ATOM 0 H ARG A 36 -4.402 -2.341 -6.606 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.774 -1.648 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.670 -0.313 -5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.320 0.443 -6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.467 -0.830 -8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.819 0.696 -7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.825 1.716 -8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.386 0.184 -8.975 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.055 0.917 -9.781 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.645 1.673 -10.283 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.904 2.302 -11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.383 1.733 -11.875 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.012 2.336 -12.812 1.00 0.00 H new ATOM 502 N LEU A 37 -2.389 -2.345 -4.335 1.00 0.00 N ATOM 503 CA LEU A 37 -1.865 -2.724 -3.063 1.00 0.00 C ATOM 504 C LEU A 37 -0.932 -3.912 -3.157 1.00 0.00 C ATOM 505 O LEU A 37 0.142 -3.928 -2.557 1.00 0.00 O ATOM 506 CB LEU A 37 -3.051 -3.062 -2.201 1.00 0.00 C ATOM 507 CG LEU A 37 -3.525 -1.920 -1.373 1.00 0.00 C ATOM 508 CD1 LEU A 37 -4.786 -2.262 -0.603 1.00 0.00 C ATOM 509 CD2 LEU A 37 -2.418 -1.479 -0.435 1.00 0.00 C ATOM 0 H LEU A 37 -3.409 -2.345 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.274 -1.909 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.868 -3.403 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.789 -3.892 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.779 -1.097 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.097 -1.400 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.579 -2.527 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.590 -3.105 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.766 -0.643 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.141 -2.308 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.550 -1.169 -1.017 1.00 0.00 H new ATOM 521 N GLU A 38 -1.361 -4.909 -3.906 1.00 0.00 N ATOM 522 CA GLU A 38 -0.586 -6.111 -4.078 1.00 0.00 C ATOM 523 C GLU A 38 0.644 -5.807 -4.890 1.00 0.00 C ATOM 524 O GLU A 38 1.762 -6.142 -4.513 1.00 0.00 O ATOM 525 CB GLU A 38 -1.426 -7.177 -4.763 1.00 0.00 C ATOM 526 CG GLU A 38 -0.964 -8.595 -4.475 1.00 0.00 C ATOM 527 CD GLU A 38 -1.772 -9.638 -5.222 1.00 0.00 C ATOM 528 OE1 GLU A 38 -2.688 -9.252 -5.979 1.00 0.00 O ATOM 529 OE2 GLU A 38 -1.490 -10.842 -5.049 1.00 0.00 O ATOM 0 H GLU A 38 -2.250 -4.905 -4.407 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.280 -6.487 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.463 -7.070 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.404 -7.008 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.087 -8.692 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.035 -8.785 -3.404 1.00 0.00 H new ATOM 536 N SER A 39 0.411 -5.136 -5.993 1.00 0.00 N ATOM 537 CA SER A 39 1.487 -4.725 -6.883 1.00 0.00 C ATOM 538 C SER A 39 2.556 -4.025 -6.065 1.00 0.00 C ATOM 539 O SER A 39 3.746 -4.277 -6.222 1.00 0.00 O ATOM 540 CB SER A 39 0.956 -3.779 -7.956 1.00 0.00 C ATOM 541 OG SER A 39 1.941 -3.517 -8.942 1.00 0.00 O ATOM 0 H SER A 39 -0.520 -4.858 -6.303 1.00 0.00 H new ATOM 0 HA SER A 39 1.907 -5.603 -7.374 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.075 -4.216 -8.426 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.641 -2.843 -7.495 1.00 0.00 H new ATOM 0 HG SER A 39 1.574 -2.910 -9.618 1.00 0.00 H new ATOM 547 N LEU A 40 2.104 -3.161 -5.166 1.00 0.00 N ATOM 548 CA LEU A 40 2.981 -2.432 -4.290 1.00 0.00 C ATOM 549 C LEU A 40 3.972 -3.363 -3.628 1.00 0.00 C ATOM 550 O LEU A 40 5.181 -3.143 -3.676 1.00 0.00 O ATOM 551 CB LEU A 40 2.159 -1.730 -3.222 1.00 0.00 C ATOM 552 CG LEU A 40 1.456 -0.454 -3.672 1.00 0.00 C ATOM 553 CD1 LEU A 40 0.728 0.183 -2.502 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.459 0.515 -4.268 1.00 0.00 C ATOM 0 H LEU A 40 1.115 -2.953 -5.031 1.00 0.00 H new ATOM 0 HA LEU A 40 3.531 -1.699 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.408 -2.426 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.813 -1.488 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 40 0.724 -0.707 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.230 1.093 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.013 -0.514 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.444 0.428 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.944 1.422 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.210 0.767 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.944 0.053 -5.128 1.00 0.00 H new ATOM 566 N LEU A 41 3.443 -4.397 -2.997 1.00 0.00 N ATOM 567 CA LEU A 41 4.267 -5.364 -2.305 1.00 0.00 C ATOM 568 C LEU A 41 4.999 -6.298 -3.238 1.00 0.00 C ATOM 569 O LEU A 41 6.208 -6.424 -3.166 1.00 0.00 O ATOM 570 CB LEU A 41 3.422 -6.178 -1.386 1.00 0.00 C ATOM 571 CG LEU A 41 3.348 -5.658 0.040 1.00 0.00 C ATOM 572 CD1 LEU A 41 2.510 -6.593 0.879 1.00 0.00 C ATOM 573 CD2 LEU A 41 4.735 -5.522 0.641 1.00 0.00 C ATOM 0 H LEU A 41 2.442 -4.586 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 41 5.015 -4.794 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.412 -6.228 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.809 -7.197 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 41 2.886 -4.671 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.459 -6.218 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.504 -6.652 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.961 -7.585 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.654 -5.148 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.225 -6.496 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.323 -4.824 0.045 1.00 0.00 H new ATOM 585 N ARG A 42 4.267 -6.974 -4.100 1.00 0.00 N ATOM 586 CA ARG A 42 4.891 -7.906 -5.016 1.00 0.00 C ATOM 587 C ARG A 42 6.112 -7.247 -5.631 1.00 0.00 C ATOM 588 O ARG A 42 7.095 -7.908 -5.962 1.00 0.00 O ATOM 589 CB ARG A 42 3.889 -8.361 -6.089 1.00 0.00 C ATOM 590 CG ARG A 42 4.413 -9.426 -7.045 1.00 0.00 C ATOM 591 CD ARG A 42 5.339 -8.846 -8.104 1.00 0.00 C ATOM 592 NE ARG A 42 5.799 -9.860 -9.050 1.00 0.00 N ATOM 593 CZ ARG A 42 4.994 -10.508 -9.889 1.00 0.00 C ATOM 594 NH1 ARG A 42 3.698 -10.231 -9.919 1.00 0.00 N ATOM 595 NH2 ARG A 42 5.490 -11.429 -10.704 1.00 0.00 N ATOM 0 H ARG A 42 3.253 -6.898 -4.185 1.00 0.00 H new ATOM 0 HA ARG A 42 5.209 -8.799 -4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.997 -8.745 -5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.581 -7.492 -6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.946 -10.189 -6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.572 -9.920 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.819 -8.056 -8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.200 -8.387 -7.619 1.00 0.00 H new ATOM 0 HE ARG A 42 6.794 -10.084 -9.069 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.314 -9.519 -9.298 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.085 -10.730 -10.563 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.488 -11.640 -10.688 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.874 -11.926 -11.347 1.00 0.00 H new ATOM 609 N ARG A 43 6.053 -5.926 -5.727 1.00 0.00 N ATOM 610 CA ARG A 43 7.159 -5.156 -6.241 1.00 0.00 C ATOM 611 C ARG A 43 8.095 -4.805 -5.093 1.00 0.00 C ATOM 612 O ARG A 43 9.316 -4.792 -5.247 1.00 0.00 O ATOM 613 CB ARG A 43 6.679 -3.886 -6.950 1.00 0.00 C ATOM 614 CG ARG A 43 5.765 -4.150 -8.141 1.00 0.00 C ATOM 615 CD ARG A 43 6.386 -5.122 -9.128 1.00 0.00 C ATOM 616 NE ARG A 43 5.569 -5.286 -10.327 1.00 0.00 N ATOM 617 CZ ARG A 43 5.903 -6.070 -11.348 1.00 0.00 C ATOM 618 NH1 ARG A 43 7.039 -6.755 -11.318 1.00 0.00 N ATOM 619 NH2 ARG A 43 5.102 -6.168 -12.399 1.00 0.00 N ATOM 0 H ARG A 43 5.243 -5.370 -5.452 1.00 0.00 H new ATOM 0 HA ARG A 43 7.690 -5.756 -6.980 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.151 -3.258 -6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.547 -3.321 -7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.815 -4.550 -7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.547 -3.209 -8.647 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.377 -4.767 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.520 -6.091 -8.646 1.00 0.00 H new ATOM 0 HE ARG A 43 4.691 -4.769 -10.385 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.658 -6.681 -10.511 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.293 -7.356 -12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.229 -5.642 -12.425 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.359 -6.770 -13.182 1.00 0.00 H new ATOM 633 N TRP A 44 7.501 -4.541 -3.931 1.00 0.00 N ATOM 634 CA TRP A 44 8.248 -4.211 -2.741 1.00 0.00 C ATOM 635 C TRP A 44 9.037 -5.420 -2.244 1.00 0.00 C ATOM 636 O TRP A 44 10.262 -5.376 -2.139 1.00 0.00 O ATOM 637 CB TRP A 44 7.293 -3.743 -1.657 1.00 0.00 C ATOM 638 CG TRP A 44 7.999 -3.406 -0.398 1.00 0.00 C ATOM 639 CD1 TRP A 44 7.789 -3.999 0.794 1.00 0.00 C ATOM 640 CD2 TRP A 44 9.027 -2.424 -0.193 1.00 0.00 C ATOM 641 NE1 TRP A 44 8.603 -3.447 1.752 1.00 0.00 N ATOM 642 CE2 TRP A 44 9.378 -2.483 1.167 1.00 0.00 C ATOM 643 CE3 TRP A 44 9.688 -1.496 -1.013 1.00 0.00 C ATOM 644 CZ2 TRP A 44 10.351 -1.663 1.718 1.00 0.00 C ATOM 645 CZ3 TRP A 44 10.650 -0.683 -0.441 1.00 0.00 C ATOM 646 CH2 TRP A 44 10.969 -0.775 0.902 1.00 0.00 C ATOM 0 H TRP A 44 6.490 -4.552 -3.798 1.00 0.00 H new ATOM 0 HA TRP A 44 8.952 -3.414 -2.981 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.745 -2.869 -2.010 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.557 -4.523 -1.462 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.081 -4.795 0.970 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.626 -3.712 2.737 1.00 0.00 H new ATOM 0 HE3 TRP A 44 9.451 -1.419 -2.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.608 -1.730 2.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 11.164 0.040 -1.057 1.00 0.00 H new ATOM 0 HH2 TRP A 44 11.728 -0.124 1.310 1.00 0.00 H new ATOM 657 N ASN A 45 8.317 -6.499 -1.942 1.00 0.00 N ATOM 658 CA ASN A 45 8.926 -7.727 -1.459 1.00 0.00 C ATOM 659 C ASN A 45 9.971 -8.262 -2.428 1.00 0.00 C ATOM 660 O ASN A 45 10.985 -8.828 -2.018 1.00 0.00 O ATOM 661 CB ASN A 45 7.832 -8.762 -1.222 1.00 0.00 C ATOM 662 CG ASN A 45 7.007 -8.461 0.002 1.00 0.00 C ATOM 663 OD1 ASN A 45 5.749 -8.118 -0.221 1.00 0.00 O flip ATOM 664 ND2 ASN A 45 7.495 -8.517 1.131 1.00 0.00 N flip ATOM 0 H ASN A 45 7.301 -6.542 -2.026 1.00 0.00 H new ATOM 0 HA ASN A 45 9.444 -7.514 -0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.180 -8.803 -2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.286 -9.748 -1.117 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.471 -8.787 1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.923 -8.293 1.945 1.00 0.00 H new ATOM 671 N SER A 46 9.713 -8.080 -3.706 1.00 0.00 N ATOM 672 CA SER A 46 10.623 -8.542 -4.749 1.00 0.00 C ATOM 673 C SER A 46 11.963 -7.823 -4.669 1.00 0.00 C ATOM 674 O SER A 46 13.020 -8.453 -4.714 1.00 0.00 O ATOM 675 CB SER A 46 10.006 -8.320 -6.126 1.00 0.00 C ATOM 676 OG SER A 46 10.876 -8.764 -7.155 1.00 0.00 O ATOM 0 H SER A 46 8.876 -7.613 -4.056 1.00 0.00 H new ATOM 0 HA SER A 46 10.792 -9.608 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.058 -8.853 -6.193 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.787 -7.261 -6.263 1.00 0.00 H new ATOM 0 HG SER A 46 10.456 -8.612 -8.027 1.00 0.00 H new ATOM 682 N ARG A 47 11.912 -6.501 -4.551 1.00 0.00 N ATOM 683 CA ARG A 47 13.121 -5.697 -4.462 1.00 0.00 C ATOM 684 C ARG A 47 13.947 -6.108 -3.256 1.00 0.00 C ATOM 685 O ARG A 47 15.178 -6.104 -3.301 1.00 0.00 O ATOM 686 CB ARG A 47 12.765 -4.218 -4.393 1.00 0.00 C ATOM 687 CG ARG A 47 12.241 -3.671 -5.708 1.00 0.00 C ATOM 688 CD ARG A 47 11.641 -2.294 -5.523 1.00 0.00 C ATOM 689 NE ARG A 47 11.373 -1.624 -6.795 1.00 0.00 N ATOM 690 CZ ARG A 47 10.513 -2.072 -7.705 1.00 0.00 C ATOM 691 NH1 ARG A 47 9.833 -3.189 -7.491 1.00 0.00 N ATOM 692 NH2 ARG A 47 10.332 -1.401 -8.834 1.00 0.00 N ATOM 0 H ARG A 47 11.045 -5.965 -4.515 1.00 0.00 H new ATOM 0 HA ARG A 47 13.720 -5.867 -5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.014 -4.067 -3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.647 -3.651 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.052 -3.623 -6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.489 -4.348 -6.113 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.713 -2.379 -4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.320 -1.682 -4.930 1.00 0.00 H new ATOM 0 HE ARG A 47 11.877 -0.760 -6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.968 -3.710 -6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.175 -3.528 -8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.853 -0.541 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.672 -1.745 -9.532 1.00 0.00 H new ATOM 706 N ARG A 48 13.260 -6.484 -2.186 1.00 0.00 N ATOM 707 CA ARG A 48 13.928 -6.926 -0.972 1.00 0.00 C ATOM 708 C ARG A 48 14.872 -8.070 -1.296 1.00 0.00 C ATOM 709 O ARG A 48 16.057 -8.039 -0.963 1.00 0.00 O ATOM 710 CB ARG A 48 12.895 -7.390 0.048 1.00 0.00 C ATOM 711 CG ARG A 48 12.022 -6.272 0.591 1.00 0.00 C ATOM 712 CD ARG A 48 10.988 -6.809 1.564 1.00 0.00 C ATOM 713 NE ARG A 48 11.609 -7.485 2.700 1.00 0.00 N ATOM 714 CZ ARG A 48 10.921 -8.063 3.679 1.00 0.00 C ATOM 715 NH1 ARG A 48 9.596 -8.042 3.666 1.00 0.00 N ATOM 716 NH2 ARG A 48 11.560 -8.662 4.674 1.00 0.00 N ATOM 0 H ARG A 48 12.241 -6.491 -2.135 1.00 0.00 H new ATOM 0 HA ARG A 48 14.496 -6.095 -0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.257 -8.145 -0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 48 13.410 -7.872 0.879 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.645 -5.530 1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.521 -5.765 -0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.368 -5.988 1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.327 -7.503 1.045 1.00 0.00 H new ATOM 0 HE ARG A 48 12.628 -7.515 2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.101 -7.581 2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.071 -8.487 4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 48 12.580 -8.679 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 48 11.032 -9.106 5.425 1.00 0.00 H new ATOM 730 N ALA A 49 14.322 -9.074 -1.962 1.00 0.00 N ATOM 731 CA ALA A 49 15.083 -10.248 -2.365 1.00 0.00 C ATOM 732 C ALA A 49 16.284 -9.857 -3.211 1.00 0.00 C ATOM 733 O ALA A 49 17.338 -10.491 -3.153 1.00 0.00 O ATOM 734 CB ALA A 49 14.189 -11.217 -3.124 1.00 0.00 C ATOM 0 H ALA A 49 13.340 -9.099 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 49 15.453 -10.741 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.769 -12.091 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.364 -11.529 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.793 -10.726 -4.013 1.00 0.00 H new ATOM 740 N ASP A 50 16.109 -8.809 -3.998 1.00 0.00 N ATOM 741 CA ASP A 50 17.164 -8.311 -4.872 1.00 0.00 C ATOM 742 C ASP A 50 18.185 -7.484 -4.093 1.00 0.00 C ATOM 743 O ASP A 50 18.576 -6.399 -4.524 1.00 0.00 O ATOM 744 CB ASP A 50 16.559 -7.471 -5.998 1.00 0.00 C ATOM 745 CG ASP A 50 15.618 -8.271 -6.879 1.00 0.00 C ATOM 746 OD1 ASP A 50 15.439 -9.479 -6.615 1.00 0.00 O ATOM 747 OD2 ASP A 50 15.062 -7.689 -7.833 1.00 0.00 O ATOM 0 H ASP A 50 15.238 -8.280 -4.051 1.00 0.00 H new ATOM 0 HA ASP A 50 17.681 -9.170 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.019 -6.627 -5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 50 17.361 -7.058 -6.610 1.00 0.00 H new ATOM 752 N ALA A 51 18.617 -8.003 -2.946 1.00 0.00 N ATOM 753 CA ALA A 51 19.593 -7.311 -2.111 1.00 0.00 C ATOM 754 C ALA A 51 20.068 -8.203 -0.966 1.00 0.00 C ATOM 755 O ALA A 51 19.259 -8.836 -0.288 1.00 0.00 O ATOM 756 CB ALA A 51 19.001 -6.022 -1.565 1.00 0.00 C ATOM 0 H ALA A 51 18.306 -8.901 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 51 20.456 -7.068 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 51 19.740 -5.516 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 51 18.718 -5.372 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 51 18.120 -6.251 -0.966 1.00 0.00 H new ATOM 762 N PRO A 52 21.393 -8.266 -0.737 1.00 0.00 N ATOM 763 CA PRO A 52 21.975 -9.085 0.331 1.00 0.00 C ATOM 764 C PRO A 52 21.824 -8.447 1.710 1.00 0.00 C ATOM 765 O PRO A 52 22.768 -8.434 2.501 1.00 0.00 O ATOM 766 CB PRO A 52 23.448 -9.167 -0.063 1.00 0.00 C ATOM 767 CG PRO A 52 23.710 -7.893 -0.789 1.00 0.00 C ATOM 768 CD PRO A 52 22.430 -7.545 -1.503 1.00 0.00 C ATOM 0 HA PRO A 52 21.483 -10.054 0.418 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.089 -9.264 0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 52 23.642 -10.032 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.997 -7.102 -0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 52 24.531 -8.010 -1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 52 22.252 -6.470 -1.504 1.00 0.00 H new ATOM 0 HD3 PRO A 52 22.453 -7.865 -2.545 1.00 0.00 H new ATOM 776 N SER A 53 20.635 -7.919 1.992 1.00 0.00 N ATOM 777 CA SER A 53 20.365 -7.281 3.276 1.00 0.00 C ATOM 778 C SER A 53 21.340 -6.134 3.532 1.00 0.00 C ATOM 779 O SER A 53 21.933 -6.037 4.606 1.00 0.00 O ATOM 780 CB SER A 53 20.452 -8.306 4.411 1.00 0.00 C ATOM 781 OG SER A 53 19.510 -9.349 4.229 1.00 0.00 O ATOM 0 H SER A 53 19.844 -7.921 1.348 1.00 0.00 H new ATOM 0 HA SER A 53 19.355 -6.873 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 53 21.458 -8.723 4.452 1.00 0.00 H new ATOM 0 HB3 SER A 53 20.273 -7.812 5.366 1.00 0.00 H new ATOM 0 HG SER A 53 19.587 -9.991 4.965 1.00 0.00 H new ATOM 787 N THR A 54 21.499 -5.269 2.534 1.00 0.00 N ATOM 788 CA THR A 54 22.401 -4.129 2.644 1.00 0.00 C ATOM 789 C THR A 54 22.040 -3.251 3.838 1.00 0.00 C ATOM 790 O THR A 54 20.866 -2.978 4.088 1.00 0.00 O ATOM 791 CB THR A 54 22.380 -3.270 1.366 1.00 0.00 C ATOM 792 OG1 THR A 54 21.057 -2.772 1.131 1.00 0.00 O ATOM 793 CG2 THR A 54 22.844 -4.078 0.163 1.00 0.00 C ATOM 0 H THR A 54 21.014 -5.337 1.639 1.00 0.00 H new ATOM 0 HA THR A 54 23.403 -4.534 2.785 1.00 0.00 H new ATOM 0 HB THR A 54 23.063 -2.432 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.053 -2.225 0.318 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.821 -3.450 -0.728 1.00 0.00 H new ATOM 0 HG22 THR A 54 23.861 -4.430 0.332 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.183 -4.933 0.022 1.00 0.00 H new ATOM 801 N SER A 55 23.059 -2.813 4.572 1.00 0.00 N ATOM 802 CA SER A 55 22.857 -1.966 5.742 1.00 0.00 C ATOM 803 C SER A 55 24.190 -1.439 6.264 1.00 0.00 C ATOM 804 O SER A 55 25.173 -2.177 6.333 1.00 0.00 O ATOM 805 CB SER A 55 22.136 -2.744 6.846 1.00 0.00 C ATOM 806 OG SER A 55 21.931 -1.934 7.991 1.00 0.00 O ATOM 0 H SER A 55 24.036 -3.032 4.376 1.00 0.00 H new ATOM 0 HA SER A 55 22.240 -1.118 5.444 1.00 0.00 H new ATOM 0 HB2 SER A 55 21.176 -3.103 6.475 1.00 0.00 H new ATOM 0 HB3 SER A 55 22.722 -3.622 7.118 1.00 0.00 H new ATOM 0 HG SER A 55 21.237 -1.268 7.801 1.00 0.00 H new ATOM 812 N ALA A 56 24.216 -0.159 6.625 1.00 0.00 N ATOM 813 CA ALA A 56 25.430 0.470 7.136 1.00 0.00 C ATOM 814 C ALA A 56 26.558 0.387 6.112 1.00 0.00 C ATOM 815 O ALA A 56 27.699 0.070 6.450 1.00 0.00 O ATOM 816 CB ALA A 56 25.851 -0.175 8.449 1.00 0.00 C ATOM 0 H ALA A 56 23.409 0.463 6.573 1.00 0.00 H new ATOM 0 HA ALA A 56 25.217 1.523 7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 56 26.758 0.306 8.816 1.00 0.00 H new ATOM 0 HB2 ALA A 56 25.055 -0.057 9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 56 26.042 -1.236 8.288 1.00 0.00 H new ATOM 822 N ILE A 57 26.225 0.673 4.857 1.00 0.00 N ATOM 823 CA ILE A 57 27.198 0.631 3.772 1.00 0.00 C ATOM 824 C ILE A 57 28.316 1.646 4.005 1.00 0.00 C ATOM 825 O ILE A 57 28.062 2.798 4.358 1.00 0.00 O ATOM 826 CB ILE A 57 26.513 0.888 2.411 1.00 0.00 C ATOM 827 CG1 ILE A 57 27.491 0.675 1.246 1.00 0.00 C ATOM 828 CG2 ILE A 57 25.918 2.288 2.375 1.00 0.00 C ATOM 829 CD1 ILE A 57 28.390 1.857 0.961 1.00 0.00 C ATOM 0 H ILE A 57 25.284 0.938 4.566 1.00 0.00 H new ATOM 0 HA ILE A 57 27.638 -0.366 3.754 1.00 0.00 H new ATOM 0 HB ILE A 57 25.704 0.166 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 57 28.112 -0.194 1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 57 26.921 0.443 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 57 25.439 2.455 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 57 25.179 2.390 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 57 26.709 3.024 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 57 29.048 1.621 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 57 27.781 2.725 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 57 28.991 2.078 1.843 1.00 0.00 H new ATOM 841 N SER A 58 29.557 1.204 3.811 1.00 0.00 N ATOM 842 CA SER A 58 30.720 2.065 4.003 1.00 0.00 C ATOM 843 C SER A 58 31.992 1.372 3.518 1.00 0.00 C ATOM 844 O SER A 58 33.019 1.391 4.196 1.00 0.00 O ATOM 845 CB SER A 58 30.861 2.442 5.481 1.00 0.00 C ATOM 846 OG SER A 58 31.975 3.292 5.688 1.00 0.00 O ATOM 0 H SER A 58 29.782 0.253 3.520 1.00 0.00 H new ATOM 0 HA SER A 58 30.574 2.972 3.416 1.00 0.00 H new ATOM 0 HB2 SER A 58 29.952 2.939 5.821 1.00 0.00 H new ATOM 0 HB3 SER A 58 30.973 1.539 6.081 1.00 0.00 H new ATOM 0 HG SER A 58 32.791 2.842 5.385 1.00 0.00 H new ATOM 852 N GLU A 59 31.912 0.762 2.341 1.00 0.00 N ATOM 853 CA GLU A 59 33.054 0.063 1.761 1.00 0.00 C ATOM 854 C GLU A 59 34.210 1.024 1.502 1.00 0.00 C ATOM 855 O GLU A 59 34.010 2.127 0.990 1.00 0.00 O ATOM 856 CB GLU A 59 32.646 -0.627 0.458 1.00 0.00 C ATOM 857 CG GLU A 59 33.778 -1.393 -0.208 1.00 0.00 C ATOM 858 CD GLU A 59 33.348 -2.065 -1.497 1.00 0.00 C ATOM 859 OE1 GLU A 59 32.431 -2.911 -1.448 1.00 0.00 O ATOM 860 OE2 GLU A 59 33.929 -1.746 -2.555 1.00 0.00 O ATOM 0 H GLU A 59 31.068 0.737 1.769 1.00 0.00 H new ATOM 0 HA GLU A 59 33.388 -0.690 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 59 31.825 -1.314 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 59 32.268 0.123 -0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 59 34.601 -0.709 -0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 59 34.157 -2.147 0.482 1.00 0.00 H new ATOM 867 N ASP A 60 35.418 0.599 1.860 1.00 0.00 N ATOM 868 CA ASP A 60 36.610 1.419 1.669 1.00 0.00 C ATOM 869 C ASP A 60 37.872 0.630 2.001 1.00 0.00 C ATOM 870 O ASP A 60 38.670 0.373 1.075 1.00 0.00 O ATOM 871 CB ASP A 60 36.538 2.674 2.539 1.00 0.00 C ATOM 872 CG ASP A 60 37.745 3.574 2.360 1.00 0.00 C ATOM 873 OD1 ASP A 60 37.978 4.033 1.223 1.00 0.00 O ATOM 874 OD2 ASP A 60 38.455 3.819 3.356 1.00 0.00 O ATOM 875 OXT ASP A 60 38.052 0.275 3.186 1.00 0.00 O ATOM 0 H ASP A 60 35.598 -0.311 2.285 1.00 0.00 H new ATOM 0 HA ASP A 60 36.651 1.714 0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 60 35.634 3.231 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 60 36.458 2.382 3.586 1.00 0.00 H new TER 880 ASP A 60 ATOM 881 N GLY B 1 -7.116 20.074 9.804 1.00 0.00 N ATOM 882 CA GLY B 1 -8.266 19.887 10.731 1.00 0.00 C ATOM 883 C GLY B 1 -9.146 18.720 10.335 1.00 0.00 C ATOM 884 O GLY B 1 -9.521 17.904 11.178 1.00 0.00 O ATOM 0 H1 GLY B 1 -6.545 20.884 10.118 1.00 0.00 H new ATOM 0 H2 GLY B 1 -6.528 19.216 9.803 1.00 0.00 H new ATOM 0 H3 GLY B 1 -7.470 20.252 8.843 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -7.891 19.729 11.742 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -8.864 20.798 10.752 1.00 0.00 H new ATOM 890 N SER B 2 -9.476 18.639 9.048 1.00 0.00 N ATOM 891 CA SER B 2 -10.319 17.562 8.536 1.00 0.00 C ATOM 892 C SER B 2 -10.206 17.467 7.018 1.00 0.00 C ATOM 893 O SER B 2 -11.210 17.322 6.319 1.00 0.00 O ATOM 894 CB SER B 2 -11.782 17.795 8.927 1.00 0.00 C ATOM 895 OG SER B 2 -11.923 17.970 10.325 1.00 0.00 O ATOM 0 H SER B 2 -9.172 19.307 8.340 1.00 0.00 H new ATOM 0 HA SER B 2 -9.976 16.626 8.977 1.00 0.00 H new ATOM 0 HB2 SER B 2 -12.163 18.675 8.409 1.00 0.00 H new ATOM 0 HB3 SER B 2 -12.386 16.948 8.602 1.00 0.00 H new ATOM 0 HG SER B 2 -11.144 17.589 10.782 1.00 0.00 H new ATOM 901 N ALA B 3 -8.979 17.553 6.513 1.00 0.00 N ATOM 902 CA ALA B 3 -8.737 17.479 5.078 1.00 0.00 C ATOM 903 C ALA B 3 -9.238 16.159 4.503 1.00 0.00 C ATOM 904 O ALA B 3 -8.980 15.091 5.058 1.00 0.00 O ATOM 905 CB ALA B 3 -7.255 17.656 4.783 1.00 0.00 C ATOM 0 H ALA B 3 -8.138 17.674 7.077 1.00 0.00 H new ATOM 0 HA ALA B 3 -9.291 18.287 4.600 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -7.089 17.598 3.707 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -6.925 18.628 5.150 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -6.688 16.869 5.280 1.00 0.00 H new ATOM 911 N ALA B 4 -9.957 16.243 3.388 1.00 0.00 N ATOM 912 CA ALA B 4 -10.497 15.056 2.733 1.00 0.00 C ATOM 913 C ALA B 4 -9.424 14.334 1.922 1.00 0.00 C ATOM 914 O ALA B 4 -9.669 13.904 0.795 1.00 0.00 O ATOM 915 CB ALA B 4 -11.671 15.434 1.842 1.00 0.00 C ATOM 0 H ALA B 4 -10.179 17.121 2.919 1.00 0.00 H new ATOM 0 HA ALA B 4 -10.846 14.373 3.508 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -12.064 14.539 1.359 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -12.453 15.894 2.446 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -11.338 16.140 1.081 1.00 0.00 H new ATOM 921 N SER B 5 -8.235 14.202 2.503 1.00 0.00 N ATOM 922 CA SER B 5 -7.127 13.530 1.834 1.00 0.00 C ATOM 923 C SER B 5 -7.484 12.078 1.503 1.00 0.00 C ATOM 924 O SER B 5 -7.297 11.636 0.369 1.00 0.00 O ATOM 925 CB SER B 5 -5.869 13.582 2.704 1.00 0.00 C ATOM 926 OG SER B 5 -4.760 13.010 2.035 1.00 0.00 O ATOM 0 H SER B 5 -8.015 14.552 3.436 1.00 0.00 H new ATOM 0 HA SER B 5 -6.930 14.053 0.898 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.646 14.617 2.964 1.00 0.00 H new ATOM 0 HB3 SER B 5 -6.048 13.050 3.638 1.00 0.00 H new ATOM 0 HG SER B 5 -3.970 13.058 2.612 1.00 0.00 H new ATOM 932 N PRO B 6 -8.013 11.310 2.482 1.00 0.00 N ATOM 933 CA PRO B 6 -8.395 9.911 2.261 1.00 0.00 C ATOM 934 C PRO B 6 -9.453 9.775 1.173 1.00 0.00 C ATOM 935 O PRO B 6 -10.219 10.705 0.919 1.00 0.00 O ATOM 936 CB PRO B 6 -8.955 9.458 3.614 1.00 0.00 C ATOM 937 CG PRO B 6 -9.280 10.716 4.343 1.00 0.00 C ATOM 938 CD PRO B 6 -8.286 11.734 3.866 1.00 0.00 C ATOM 0 HA PRO B 6 -7.551 9.310 1.924 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -9.842 8.837 3.485 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -8.226 8.862 4.163 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -10.300 11.037 4.133 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -9.207 10.573 5.421 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -8.693 12.744 3.905 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -7.382 11.731 4.475 1.00 0.00 H new ATOM 946 N ALA B 7 -9.481 8.613 0.527 1.00 0.00 N ATOM 947 CA ALA B 7 -10.432 8.349 -0.544 1.00 0.00 C ATOM 948 C ALA B 7 -10.178 9.271 -1.728 1.00 0.00 C ATOM 949 O ALA B 7 -11.105 9.660 -2.438 1.00 0.00 O ATOM 950 CB ALA B 7 -11.862 8.502 -0.046 1.00 0.00 C ATOM 0 H ALA B 7 -8.852 7.836 0.729 1.00 0.00 H new ATOM 0 HA ALA B 7 -10.293 7.320 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -12.555 8.300 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -12.042 7.797 0.765 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -12.014 9.519 0.316 1.00 0.00 H new ATOM 956 N VAL B 8 -8.909 9.601 -1.937 1.00 0.00 N ATOM 957 CA VAL B 8 -8.509 10.460 -3.039 1.00 0.00 C ATOM 958 C VAL B 8 -8.439 9.640 -4.326 1.00 0.00 C ATOM 959 O VAL B 8 -7.411 9.594 -5.002 1.00 0.00 O ATOM 960 CB VAL B 8 -7.147 11.130 -2.749 1.00 0.00 C ATOM 961 CG1 VAL B 8 -6.025 10.105 -2.709 1.00 0.00 C ATOM 962 CG2 VAL B 8 -6.854 12.224 -3.767 1.00 0.00 C ATOM 0 H VAL B 8 -8.136 9.283 -1.352 1.00 0.00 H new ATOM 0 HA VAL B 8 -9.251 11.250 -3.157 1.00 0.00 H new ATOM 0 HB VAL B 8 -7.205 11.592 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -5.080 10.608 -2.503 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -6.226 9.375 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -5.963 9.596 -3.671 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.890 12.681 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -6.827 11.792 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.635 12.983 -3.721 1.00 0.00 H new ATOM 972 N ASP B 9 -9.547 8.960 -4.625 1.00 0.00 N ATOM 973 CA ASP B 9 -9.643 8.090 -5.792 1.00 0.00 C ATOM 974 C ASP B 9 -8.968 6.758 -5.490 1.00 0.00 C ATOM 975 O ASP B 9 -9.054 5.822 -6.281 1.00 0.00 O ATOM 976 CB ASP B 9 -9.017 8.737 -7.032 1.00 0.00 C ATOM 977 CG ASP B 9 -9.707 10.030 -7.423 1.00 0.00 C ATOM 978 OD1 ASP B 9 -10.921 9.991 -7.709 1.00 0.00 O ATOM 979 OD2 ASP B 9 -9.031 11.081 -7.442 1.00 0.00 O ATOM 0 H ASP B 9 -10.399 8.998 -4.065 1.00 0.00 H new ATOM 0 HA ASP B 9 -10.698 7.924 -6.009 1.00 0.00 H new ATOM 0 HB2 ASP B 9 -7.962 8.935 -6.841 1.00 0.00 H new ATOM 0 HB3 ASP B 9 -9.064 8.037 -7.866 1.00 0.00 H new ATOM 984 N ILE B 10 -8.307 6.701 -4.323 1.00 0.00 N ATOM 985 CA ILE B 10 -7.597 5.508 -3.849 1.00 0.00 C ATOM 986 C ILE B 10 -6.356 5.223 -4.697 1.00 0.00 C ATOM 987 O ILE B 10 -5.278 4.984 -4.156 1.00 0.00 O ATOM 988 CB ILE B 10 -8.520 4.266 -3.786 1.00 0.00 C ATOM 989 CG1 ILE B 10 -8.127 3.386 -2.598 1.00 0.00 C ATOM 990 CG2 ILE B 10 -8.482 3.461 -5.076 1.00 0.00 C ATOM 991 CD1 ILE B 10 -8.355 4.047 -1.254 1.00 0.00 C ATOM 0 H ILE B 10 -8.251 7.490 -3.678 1.00 0.00 H new ATOM 0 HA ILE B 10 -7.270 5.721 -2.831 1.00 0.00 H new ATOM 0 HB ILE B 10 -9.543 4.619 -3.655 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -8.698 2.458 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -7.074 3.117 -2.688 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -9.144 2.600 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -8.811 4.087 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -7.464 3.119 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -8.055 3.366 -0.458 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -7.763 4.960 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -9.412 4.291 -1.143 1.00 0.00 H new ATOM 1003 N GLY B 11 -6.500 5.273 -6.019 1.00 0.00 N ATOM 1004 CA GLY B 11 -5.369 5.039 -6.894 1.00 0.00 C ATOM 1005 C GLY B 11 -4.252 6.024 -6.634 1.00 0.00 C ATOM 1006 O GLY B 11 -3.075 5.681 -6.725 1.00 0.00 O ATOM 0 H GLY B 11 -7.379 5.471 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -5.000 4.023 -6.750 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -5.690 5.117 -7.933 1.00 0.00 H new ATOM 1010 N ASP B 12 -4.630 7.254 -6.299 1.00 0.00 N ATOM 1011 CA ASP B 12 -3.661 8.301 -6.007 1.00 0.00 C ATOM 1012 C ASP B 12 -2.815 7.908 -4.800 1.00 0.00 C ATOM 1013 O ASP B 12 -1.596 8.086 -4.797 1.00 0.00 O ATOM 1014 CB ASP B 12 -4.384 9.625 -5.746 1.00 0.00 C ATOM 1015 CG ASP B 12 -3.429 10.776 -5.500 1.00 0.00 C ATOM 1016 OD1 ASP B 12 -2.669 10.716 -4.513 1.00 0.00 O ATOM 1017 OD2 ASP B 12 -3.442 11.739 -6.296 1.00 0.00 O ATOM 0 H ASP B 12 -5.603 7.549 -6.223 1.00 0.00 H new ATOM 0 HA ASP B 12 -3.003 8.427 -6.866 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -5.019 9.862 -6.600 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -5.040 9.512 -4.883 1.00 0.00 H new ATOM 1022 N ARG B 13 -3.473 7.357 -3.783 1.00 0.00 N ATOM 1023 CA ARG B 13 -2.792 6.913 -2.573 1.00 0.00 C ATOM 1024 C ARG B 13 -1.790 5.816 -2.916 1.00 0.00 C ATOM 1025 O ARG B 13 -0.631 5.856 -2.503 1.00 0.00 O ATOM 1026 CB ARG B 13 -3.808 6.371 -1.568 1.00 0.00 C ATOM 1027 CG ARG B 13 -4.960 7.318 -1.274 1.00 0.00 C ATOM 1028 CD ARG B 13 -4.603 8.348 -0.214 1.00 0.00 C ATOM 1029 NE ARG B 13 -3.541 9.252 -0.644 1.00 0.00 N ATOM 1030 CZ ARG B 13 -3.108 10.272 0.089 1.00 0.00 C ATOM 1031 NH1 ARG B 13 -3.650 10.516 1.276 1.00 0.00 N ATOM 1032 NH2 ARG B 13 -2.134 11.050 -0.362 1.00 0.00 N ATOM 0 H ARG B 13 -4.482 7.207 -3.775 1.00 0.00 H new ATOM 0 HA ARG B 13 -2.268 7.762 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG B 13 -4.212 5.432 -1.947 1.00 0.00 H new ATOM 0 HB3 ARG B 13 -3.293 6.143 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG B 13 -5.250 7.830 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG B 13 -5.825 6.743 -0.942 1.00 0.00 H new ATOM 0 HD2 ARG B 13 -5.491 8.929 0.036 1.00 0.00 H new ATOM 0 HD3 ARG B 13 -4.292 7.835 0.696 1.00 0.00 H new ATOM 0 HE ARG B 13 -3.109 9.093 -1.554 1.00 0.00 H new ATOM 0 HH11 ARG B 13 -4.400 9.920 1.626 1.00 0.00 H new ATOM 0 HH12 ARG B 13 -3.316 11.299 1.838 1.00 0.00 H new ATOM 0 HH21 ARG B 13 -1.715 10.866 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG B 13 -1.803 11.832 0.203 1.00 0.00 H new ATOM 1046 N LEU B 14 -2.265 4.836 -3.682 1.00 0.00 N ATOM 1047 CA LEU B 14 -1.444 3.708 -4.110 1.00 0.00 C ATOM 1048 C LEU B 14 -0.244 4.177 -4.927 1.00 0.00 C ATOM 1049 O LEU B 14 0.876 3.705 -4.734 1.00 0.00 O ATOM 1050 CB LEU B 14 -2.284 2.739 -4.953 1.00 0.00 C ATOM 1051 CG LEU B 14 -3.231 1.811 -4.181 1.00 0.00 C ATOM 1052 CD1 LEU B 14 -2.448 0.772 -3.408 1.00 0.00 C ATOM 1053 CD2 LEU B 14 -4.132 2.586 -3.254 1.00 0.00 C ATOM 0 H LEU B 14 -3.226 4.802 -4.022 1.00 0.00 H new ATOM 0 HA LEU B 14 -1.079 3.201 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -2.876 3.323 -5.657 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -1.606 2.122 -5.542 1.00 0.00 H new ATOM 0 HG LEU B 14 -3.861 1.304 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -3.138 0.124 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -1.855 0.174 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -1.786 1.269 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -4.789 1.896 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -3.526 3.136 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -4.733 3.287 -3.833 1.00 0.00 H new ATOM 1065 N ASP B 15 -0.496 5.098 -5.852 1.00 0.00 N ATOM 1066 CA ASP B 15 0.551 5.626 -6.720 1.00 0.00 C ATOM 1067 C ASP B 15 1.668 6.281 -5.916 1.00 0.00 C ATOM 1068 O ASP B 15 2.846 6.006 -6.142 1.00 0.00 O ATOM 1069 CB ASP B 15 -0.043 6.630 -7.710 1.00 0.00 C ATOM 1070 CG ASP B 15 0.995 7.183 -8.666 1.00 0.00 C ATOM 1071 OD1 ASP B 15 1.641 6.381 -9.370 1.00 0.00 O ATOM 1072 OD2 ASP B 15 1.157 8.419 -8.715 1.00 0.00 O ATOM 0 H ASP B 15 -1.420 5.495 -6.020 1.00 0.00 H new ATOM 0 HA ASP B 15 0.982 4.789 -7.269 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -0.837 6.148 -8.280 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -0.500 7.452 -7.159 1.00 0.00 H new ATOM 1077 N GLU B 16 1.298 7.148 -4.978 1.00 0.00 N ATOM 1078 CA GLU B 16 2.286 7.832 -4.150 1.00 0.00 C ATOM 1079 C GLU B 16 3.084 6.833 -3.320 1.00 0.00 C ATOM 1080 O GLU B 16 4.303 6.946 -3.205 1.00 0.00 O ATOM 1081 CB GLU B 16 1.616 8.858 -3.235 1.00 0.00 C ATOM 1082 CG GLU B 16 0.943 9.997 -3.985 1.00 0.00 C ATOM 1083 CD GLU B 16 0.475 11.104 -3.062 1.00 0.00 C ATOM 1084 OE1 GLU B 16 1.328 11.703 -2.376 1.00 0.00 O ATOM 1085 OE2 GLU B 16 -0.744 11.372 -3.024 1.00 0.00 O ATOM 0 H GLU B 16 0.329 7.392 -4.773 1.00 0.00 H new ATOM 0 HA GLU B 16 2.971 8.357 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU B 16 0.873 8.352 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU B 16 2.364 9.272 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU B 16 1.640 10.408 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU B 16 0.090 9.608 -4.541 1.00 0.00 H new ATOM 1092 N LEU B 17 2.391 5.851 -2.748 1.00 0.00 N ATOM 1093 CA LEU B 17 3.045 4.832 -1.935 1.00 0.00 C ATOM 1094 C LEU B 17 4.057 4.048 -2.767 1.00 0.00 C ATOM 1095 O LEU B 17 5.156 3.747 -2.301 1.00 0.00 O ATOM 1096 CB LEU B 17 2.015 3.873 -1.335 1.00 0.00 C ATOM 1097 CG LEU B 17 2.590 2.810 -0.391 1.00 0.00 C ATOM 1098 CD1 LEU B 17 3.589 3.425 0.580 1.00 0.00 C ATOM 1099 CD2 LEU B 17 1.473 2.136 0.380 1.00 0.00 C ATOM 0 H LEU B 17 1.381 5.741 -2.833 1.00 0.00 H new ATOM 0 HA LEU B 17 3.569 5.337 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.272 4.456 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.492 3.370 -2.149 1.00 0.00 H new ATOM 0 HG LEU B 17 3.110 2.067 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.981 2.650 1.238 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.409 3.876 0.021 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.093 4.190 1.177 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.894 1.383 1.047 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.935 2.881 0.967 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.786 1.659 -0.318 1.00 0.00 H new ATOM 1111 N GLU B 18 3.674 3.712 -3.999 1.00 0.00 N ATOM 1112 CA GLU B 18 4.546 2.954 -4.893 1.00 0.00 C ATOM 1113 C GLU B 18 5.794 3.751 -5.239 1.00 0.00 C ATOM 1114 O GLU B 18 6.915 3.305 -4.997 1.00 0.00 O ATOM 1115 CB GLU B 18 3.807 2.586 -6.180 1.00 0.00 C ATOM 1116 CG GLU B 18 4.485 1.474 -6.961 1.00 0.00 C ATOM 1117 CD GLU B 18 3.867 1.247 -8.327 1.00 0.00 C ATOM 1118 OE1 GLU B 18 2.888 1.947 -8.660 1.00 0.00 O ATOM 1119 OE2 GLU B 18 4.363 0.368 -9.064 1.00 0.00 O ATOM 0 H GLU B 18 2.767 3.953 -4.399 1.00 0.00 H new ATOM 0 HA GLU B 18 4.841 2.042 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU B 18 2.790 2.280 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU B 18 3.729 3.470 -6.812 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.541 1.714 -7.082 1.00 0.00 H new ATOM 0 HG3 GLU B 18 4.432 0.549 -6.386 1.00 0.00 H new ATOM 1126 N LYS B 19 5.589 4.939 -5.800 1.00 0.00 N ATOM 1127 CA LYS B 19 6.697 5.804 -6.171 1.00 0.00 C ATOM 1128 C LYS B 19 7.577 6.054 -4.959 1.00 0.00 C ATOM 1129 O LYS B 19 8.794 6.203 -5.074 1.00 0.00 O ATOM 1130 CB LYS B 19 6.177 7.126 -6.735 1.00 0.00 C ATOM 1131 CG LYS B 19 5.294 6.950 -7.961 1.00 0.00 C ATOM 1132 CD LYS B 19 4.870 8.286 -8.548 1.00 0.00 C ATOM 1133 CE LYS B 19 6.062 9.093 -9.038 1.00 0.00 C ATOM 1134 NZ LYS B 19 6.766 8.423 -10.166 1.00 0.00 N ATOM 0 H LYS B 19 4.666 5.322 -6.006 1.00 0.00 H new ATOM 0 HA LYS B 19 7.288 5.313 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS B 19 5.613 7.647 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS B 19 7.024 7.761 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS B 19 5.831 6.375 -8.716 1.00 0.00 H new ATOM 0 HG3 LYS B 19 4.409 6.374 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS B 19 4.181 8.117 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS B 19 4.329 8.858 -7.795 1.00 0.00 H new ATOM 0 HE2 LYS B 19 5.725 10.080 -9.356 1.00 0.00 H new ATOM 0 HE3 LYS B 19 6.760 9.245 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 7.449 9.083 -10.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.269 7.584 -9.812 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.073 8.134 -10.885 1.00 0.00 H new ATOM 1148 N ALA B 20 6.945 6.081 -3.792 1.00 0.00 N ATOM 1149 CA ALA B 20 7.653 6.293 -2.544 1.00 0.00 C ATOM 1150 C ALA B 20 8.566 5.113 -2.235 1.00 0.00 C ATOM 1151 O ALA B 20 9.739 5.299 -1.911 1.00 0.00 O ATOM 1152 CB ALA B 20 6.666 6.517 -1.414 1.00 0.00 C ATOM 0 H ALA B 20 5.938 5.958 -3.688 1.00 0.00 H new ATOM 0 HA ALA B 20 8.274 7.183 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA B 20 7.209 6.675 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA B 20 6.056 7.394 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA B 20 6.022 5.643 -1.315 1.00 0.00 H new ATOM 1158 N LEU B 21 8.030 3.897 -2.348 1.00 0.00 N ATOM 1159 CA LEU B 21 8.823 2.701 -2.086 1.00 0.00 C ATOM 1160 C LEU B 21 10.018 2.655 -3.018 1.00 0.00 C ATOM 1161 O LEU B 21 11.106 2.261 -2.615 1.00 0.00 O ATOM 1162 CB LEU B 21 8.011 1.416 -2.264 1.00 0.00 C ATOM 1163 CG LEU B 21 6.752 1.266 -1.405 1.00 0.00 C ATOM 1164 CD1 LEU B 21 6.627 -0.164 -0.917 1.00 0.00 C ATOM 1165 CD2 LEU B 21 6.764 2.210 -0.218 1.00 0.00 C ATOM 0 H LEU B 21 7.062 3.718 -2.616 1.00 0.00 H new ATOM 0 HA LEU B 21 9.149 2.758 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.718 1.343 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.666 0.570 -2.056 1.00 0.00 H new ATOM 0 HG LEU B 21 5.895 1.521 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU B 21 5.729 -0.263 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU B 21 6.560 -0.836 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU B 21 7.502 -0.423 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU B 21 5.854 2.072 0.366 1.00 0.00 H new ATOM 0 HD22 LEU B 21 7.631 1.998 0.407 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.815 3.240 -0.572 1.00 0.00 H new ATOM 1177 N GLU B 22 9.810 3.064 -4.269 1.00 0.00 N ATOM 1178 CA GLU B 22 10.884 3.072 -5.253 1.00 0.00 C ATOM 1179 C GLU B 22 12.137 3.675 -4.636 1.00 0.00 C ATOM 1180 O GLU B 22 13.256 3.247 -4.921 1.00 0.00 O ATOM 1181 CB GLU B 22 10.470 3.854 -6.501 1.00 0.00 C ATOM 1182 CG GLU B 22 9.281 3.247 -7.231 1.00 0.00 C ATOM 1183 CD GLU B 22 8.941 3.986 -8.511 1.00 0.00 C ATOM 1184 OE1 GLU B 22 8.650 5.198 -8.438 1.00 0.00 O ATOM 1185 OE2 GLU B 22 8.966 3.351 -9.587 1.00 0.00 O ATOM 0 H GLU B 22 8.911 3.392 -4.621 1.00 0.00 H new ATOM 0 HA GLU B 22 11.094 2.046 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU B 22 10.227 4.877 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU B 22 11.317 3.907 -7.185 1.00 0.00 H new ATOM 0 HG2 GLU B 22 9.497 2.204 -7.465 1.00 0.00 H new ATOM 0 HG3 GLU B 22 8.413 3.253 -6.571 1.00 0.00 H new ATOM 1192 N ALA B 23 11.934 4.659 -3.766 1.00 0.00 N ATOM 1193 CA ALA B 23 13.034 5.312 -3.076 1.00 0.00 C ATOM 1194 C ALA B 23 13.588 4.403 -1.981 1.00 0.00 C ATOM 1195 O ALA B 23 14.797 4.217 -1.870 1.00 0.00 O ATOM 1196 CB ALA B 23 12.579 6.640 -2.492 1.00 0.00 C ATOM 0 H ALA B 23 11.012 5.021 -3.523 1.00 0.00 H new ATOM 0 HA ALA B 23 13.830 5.508 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA B 23 13.414 7.117 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA B 23 12.228 7.289 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.768 6.467 -1.784 1.00 0.00 H new ATOM 1202 N LEU B 24 12.690 3.832 -1.176 1.00 0.00 N ATOM 1203 CA LEU B 24 13.086 2.932 -0.092 1.00 0.00 C ATOM 1204 C LEU B 24 13.230 1.507 -0.603 1.00 0.00 C ATOM 1205 O LEU B 24 13.320 0.576 0.189 1.00 0.00 O ATOM 1206 CB LEU B 24 12.042 2.921 1.035 1.00 0.00 C ATOM 1207 CG LEU B 24 11.736 4.262 1.701 1.00 0.00 C ATOM 1208 CD1 LEU B 24 12.995 4.876 2.289 1.00 0.00 C ATOM 1209 CD2 LEU B 24 11.083 5.202 0.711 1.00 0.00 C ATOM 0 H LEU B 24 11.683 3.977 -1.255 1.00 0.00 H new ATOM 0 HA LEU B 24 14.039 3.299 0.290 1.00 0.00 H new ATOM 0 HB2 LEU B 24 11.111 2.521 0.633 1.00 0.00 H new ATOM 0 HB3 LEU B 24 12.380 2.228 1.805 1.00 0.00 H new ATOM 0 HG LEU B 24 11.039 4.090 2.521 1.00 0.00 H new ATOM 0 HD11 LEU B 24 12.750 5.830 2.757 1.00 0.00 H new ATOM 0 HD12 LEU B 24 13.414 4.202 3.036 1.00 0.00 H new ATOM 0 HD13 LEU B 24 13.725 5.038 1.496 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.870 6.153 1.198 1.00 0.00 H new ATOM 0 HD22 LEU B 24 11.755 5.368 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU B 24 10.153 4.763 0.351 1.00 0.00 H new ATOM 1221 N SER B 25 13.209 1.343 -1.922 1.00 0.00 N ATOM 1222 CA SER B 25 13.290 0.022 -2.538 1.00 0.00 C ATOM 1223 C SER B 25 14.425 -0.817 -1.958 1.00 0.00 C ATOM 1224 O SER B 25 15.498 -0.935 -2.550 1.00 0.00 O ATOM 1225 CB SER B 25 13.437 0.148 -4.052 1.00 0.00 C ATOM 1226 OG SER B 25 14.675 0.741 -4.404 1.00 0.00 O ATOM 0 H SER B 25 13.136 2.112 -2.588 1.00 0.00 H new ATOM 0 HA SER B 25 12.359 -0.497 -2.313 1.00 0.00 H new ATOM 0 HB2 SER B 25 13.361 -0.838 -4.510 1.00 0.00 H new ATOM 0 HB3 SER B 25 12.618 0.748 -4.450 1.00 0.00 H new ATOM 0 HG SER B 25 15.404 0.273 -3.946 1.00 0.00 H new ATOM 1232 N ALA B 26 14.158 -1.408 -0.796 1.00 0.00 N ATOM 1233 CA ALA B 26 15.122 -2.255 -0.112 1.00 0.00 C ATOM 1234 C ALA B 26 16.500 -1.598 -0.033 1.00 0.00 C ATOM 1235 O ALA B 26 17.523 -2.265 -0.190 1.00 0.00 O ATOM 1236 CB ALA B 26 15.212 -3.598 -0.816 1.00 0.00 C ATOM 0 H ALA B 26 13.269 -1.311 -0.306 1.00 0.00 H new ATOM 0 HA ALA B 26 14.777 -2.404 0.911 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.935 -4.231 -0.301 1.00 0.00 H new ATOM 0 HB2 ALA B 26 14.235 -4.081 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.531 -3.447 -1.847 1.00 0.00 H new ATOM 1242 N GLU B 27 16.522 -0.291 0.207 1.00 0.00 N ATOM 1243 CA GLU B 27 17.779 0.444 0.302 1.00 0.00 C ATOM 1244 C GLU B 27 18.511 0.154 1.608 1.00 0.00 C ATOM 1245 O GLU B 27 19.740 0.205 1.659 1.00 0.00 O ATOM 1246 CB GLU B 27 17.551 1.949 0.156 1.00 0.00 C ATOM 1247 CG GLU B 27 17.224 2.375 -1.265 1.00 0.00 C ATOM 1248 CD GLU B 27 17.458 3.854 -1.500 1.00 0.00 C ATOM 1249 OE1 GLU B 27 17.808 4.563 -0.533 1.00 0.00 O ATOM 1250 OE2 GLU B 27 17.289 4.305 -2.652 1.00 0.00 O ATOM 0 H GLU B 27 15.687 0.280 0.339 1.00 0.00 H new ATOM 0 HA GLU B 27 18.406 0.101 -0.521 1.00 0.00 H new ATOM 0 HB2 GLU B 27 16.737 2.251 0.814 1.00 0.00 H new ATOM 0 HB3 GLU B 27 18.444 2.478 0.490 1.00 0.00 H new ATOM 0 HG2 GLU B 27 17.833 1.800 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU B 27 16.182 2.137 -1.481 1.00 0.00 H new ATOM 1257 N ASP B 28 17.760 -0.136 2.666 1.00 0.00 N ATOM 1258 CA ASP B 28 18.365 -0.414 3.964 1.00 0.00 C ATOM 1259 C ASP B 28 17.462 -1.297 4.821 1.00 0.00 C ATOM 1260 O ASP B 28 17.133 -0.951 5.956 1.00 0.00 O ATOM 1261 CB ASP B 28 18.661 0.899 4.694 1.00 0.00 C ATOM 1262 CG ASP B 28 19.446 0.694 5.976 1.00 0.00 C ATOM 1263 OD1 ASP B 28 19.794 -0.466 6.283 1.00 0.00 O ATOM 1264 OD2 ASP B 28 19.718 1.695 6.672 1.00 0.00 O ATOM 0 H ASP B 28 16.741 -0.184 2.651 1.00 0.00 H new ATOM 0 HA ASP B 28 19.297 -0.952 3.794 1.00 0.00 H new ATOM 0 HB2 ASP B 28 19.221 1.559 4.032 1.00 0.00 H new ATOM 0 HB3 ASP B 28 17.721 1.401 4.925 1.00 0.00 H new ATOM 1269 N GLY B 29 17.066 -2.443 4.272 1.00 0.00 N ATOM 1270 CA GLY B 29 16.208 -3.355 5.006 1.00 0.00 C ATOM 1271 C GLY B 29 14.917 -2.697 5.445 1.00 0.00 C ATOM 1272 O GLY B 29 14.547 -2.758 6.617 1.00 0.00 O ATOM 0 H GLY B 29 17.323 -2.755 3.335 1.00 0.00 H new ATOM 0 HA2 GLY B 29 15.980 -4.218 4.381 1.00 0.00 H new ATOM 0 HA3 GLY B 29 16.740 -3.727 5.881 1.00 0.00 H new ATOM 1276 N HIS B 30 14.240 -2.057 4.499 1.00 0.00 N ATOM 1277 CA HIS B 30 12.986 -1.370 4.776 1.00 0.00 C ATOM 1278 C HIS B 30 11.829 -2.351 4.962 1.00 0.00 C ATOM 1279 O HIS B 30 10.708 -2.091 4.530 1.00 0.00 O ATOM 1280 CB HIS B 30 12.685 -0.382 3.646 1.00 0.00 C ATOM 1281 CG HIS B 30 13.512 0.862 3.722 1.00 0.00 C ATOM 1282 ND1 HIS B 30 14.356 1.420 2.826 1.00 0.00 N flip ATOM 1283 CD2 HIS B 30 13.533 1.683 4.831 1.00 0.00 C flip ATOM 1284 CE1 HIS B 30 14.870 2.556 3.405 1.00 0.00 C flip ATOM 1285 NE2 HIS B 30 14.356 2.692 4.613 1.00 0.00 N flip ATOM 0 H HIS B 30 14.542 -2.000 3.526 1.00 0.00 H new ATOM 0 HA HIS B 30 13.094 -0.825 5.714 1.00 0.00 H new ATOM 0 HB2 HIS B 30 12.860 -0.870 2.687 1.00 0.00 H new ATOM 0 HB3 HIS B 30 11.629 -0.112 3.678 1.00 0.00 H new ATOM 0 HD1 HIS B 30 14.571 1.065 1.894 1.00 0.00 H new ATOM 0 HD2 HIS B 30 12.965 1.525 5.736 1.00 0.00 H new ATOM 0 HE1 HIS B 30 15.580 3.228 2.946 1.00 0.00 H new ATOM 1294 N ASP B 31 12.102 -3.472 5.627 1.00 0.00 N ATOM 1295 CA ASP B 31 11.079 -4.480 5.883 1.00 0.00 C ATOM 1296 C ASP B 31 9.833 -3.839 6.481 1.00 0.00 C ATOM 1297 O ASP B 31 8.715 -4.309 6.265 1.00 0.00 O ATOM 1298 CB ASP B 31 11.616 -5.559 6.825 1.00 0.00 C ATOM 1299 CG ASP B 31 10.557 -6.574 7.207 1.00 0.00 C ATOM 1300 OD1 ASP B 31 9.990 -7.212 6.295 1.00 0.00 O ATOM 1301 OD2 ASP B 31 10.295 -6.732 8.417 1.00 0.00 O ATOM 0 H ASP B 31 13.024 -3.704 5.998 1.00 0.00 H new ATOM 0 HA ASP B 31 10.812 -4.943 4.933 1.00 0.00 H new ATOM 0 HB2 ASP B 31 12.451 -6.072 6.347 1.00 0.00 H new ATOM 0 HB3 ASP B 31 12.006 -5.088 7.727 1.00 0.00 H new ATOM 1306 N ASP B 32 10.034 -2.759 7.232 1.00 0.00 N ATOM 1307 CA ASP B 32 8.932 -2.045 7.860 1.00 0.00 C ATOM 1308 C ASP B 32 7.889 -1.643 6.823 1.00 0.00 C ATOM 1309 O ASP B 32 6.687 -1.774 7.057 1.00 0.00 O ATOM 1310 CB ASP B 32 9.449 -0.806 8.592 1.00 0.00 C ATOM 1311 CG ASP B 32 10.455 -1.151 9.672 1.00 0.00 C ATOM 1312 OD1 ASP B 32 10.092 -1.901 10.604 1.00 0.00 O ATOM 1313 OD2 ASP B 32 11.606 -0.674 9.587 1.00 0.00 O ATOM 0 H ASP B 32 10.954 -2.360 7.419 1.00 0.00 H new ATOM 0 HA ASP B 32 8.462 -2.712 8.583 1.00 0.00 H new ATOM 0 HB2 ASP B 32 9.910 -0.128 7.873 1.00 0.00 H new ATOM 0 HB3 ASP B 32 8.609 -0.274 9.038 1.00 0.00 H new ATOM 1318 N VAL B 33 8.353 -1.160 5.671 1.00 0.00 N ATOM 1319 CA VAL B 33 7.451 -0.753 4.602 1.00 0.00 C ATOM 1320 C VAL B 33 6.588 -1.927 4.163 1.00 0.00 C ATOM 1321 O VAL B 33 5.399 -1.772 3.896 1.00 0.00 O ATOM 1322 CB VAL B 33 8.203 -0.191 3.384 1.00 0.00 C ATOM 1323 CG1 VAL B 33 7.225 0.465 2.427 1.00 0.00 C ATOM 1324 CG2 VAL B 33 9.269 0.799 3.824 1.00 0.00 C ATOM 0 H VAL B 33 9.343 -1.043 5.458 1.00 0.00 H new ATOM 0 HA VAL B 33 6.823 0.042 5.004 1.00 0.00 H new ATOM 0 HB VAL B 33 8.698 -1.014 2.868 1.00 0.00 H new ATOM 0 HG11 VAL B 33 7.767 0.860 1.568 1.00 0.00 H new ATOM 0 HG12 VAL B 33 6.496 -0.272 2.089 1.00 0.00 H new ATOM 0 HG13 VAL B 33 6.708 1.279 2.936 1.00 0.00 H new ATOM 0 HG21 VAL B 33 9.790 1.186 2.948 1.00 0.00 H new ATOM 0 HG22 VAL B 33 8.800 1.624 4.361 1.00 0.00 H new ATOM 0 HG23 VAL B 33 9.982 0.299 4.479 1.00 0.00 H new ATOM 1334 N GLY B 34 7.200 -3.106 4.108 1.00 0.00 N ATOM 1335 CA GLY B 34 6.480 -4.302 3.718 1.00 0.00 C ATOM 1336 C GLY B 34 5.461 -4.717 4.755 1.00 0.00 C ATOM 1337 O GLY B 34 4.378 -5.188 4.416 1.00 0.00 O ATOM 0 H GLY B 34 8.185 -3.253 4.328 1.00 0.00 H new ATOM 0 HA2 GLY B 34 5.978 -4.128 2.766 1.00 0.00 H new ATOM 0 HA3 GLY B 34 7.188 -5.116 3.561 1.00 0.00 H new ATOM 1341 N GLN B 35 5.813 -4.543 6.023 1.00 0.00 N ATOM 1342 CA GLN B 35 4.925 -4.901 7.118 1.00 0.00 C ATOM 1343 C GLN B 35 3.638 -4.082 7.054 1.00 0.00 C ATOM 1344 O GLN B 35 2.539 -4.622 7.185 1.00 0.00 O ATOM 1345 CB GLN B 35 5.627 -4.681 8.458 1.00 0.00 C ATOM 1346 CG GLN B 35 4.880 -5.267 9.645 1.00 0.00 C ATOM 1347 CD GLN B 35 4.761 -6.778 9.576 1.00 0.00 C ATOM 1348 OE1 GLN B 35 4.184 -7.327 8.637 1.00 0.00 O ATOM 1349 NE2 GLN B 35 5.306 -7.459 10.577 1.00 0.00 N ATOM 0 H GLN B 35 6.709 -4.155 6.317 1.00 0.00 H new ATOM 0 HA GLN B 35 4.667 -5.956 7.025 1.00 0.00 H new ATOM 0 HB2 GLN B 35 6.622 -5.123 8.413 1.00 0.00 H new ATOM 0 HB3 GLN B 35 5.760 -3.611 8.617 1.00 0.00 H new ATOM 0 HG2 GLN B 35 5.394 -4.989 10.565 1.00 0.00 H new ATOM 0 HG3 GLN B 35 3.882 -4.830 9.693 1.00 0.00 H new ATOM 0 HE21 GLN B 35 5.775 -6.963 11.335 1.00 0.00 H new ATOM 0 HE22 GLN B 35 5.256 -8.478 10.588 1.00 0.00 H new ATOM 1358 N ARG B 36 3.783 -2.776 6.839 1.00 0.00 N ATOM 1359 CA ARG B 36 2.632 -1.884 6.744 1.00 0.00 C ATOM 1360 C ARG B 36 1.899 -2.096 5.424 1.00 0.00 C ATOM 1361 O ARG B 36 0.673 -2.190 5.392 1.00 0.00 O ATOM 1362 CB ARG B 36 3.075 -0.425 6.867 1.00 0.00 C ATOM 1363 CG ARG B 36 3.737 -0.104 8.196 1.00 0.00 C ATOM 1364 CD ARG B 36 4.078 1.371 8.308 1.00 0.00 C ATOM 1365 NE ARG B 36 4.685 1.698 9.596 1.00 0.00 N ATOM 1366 CZ ARG B 36 4.029 1.666 10.753 1.00 0.00 C ATOM 1367 NH1 ARG B 36 2.739 1.362 10.784 1.00 0.00 N ATOM 1368 NH2 ARG B 36 4.665 1.949 11.883 1.00 0.00 N ATOM 0 H ARG B 36 4.685 -2.314 6.728 1.00 0.00 H new ATOM 0 HA ARG B 36 1.952 -2.116 7.564 1.00 0.00 H new ATOM 0 HB2 ARG B 36 3.769 -0.195 6.059 1.00 0.00 H new ATOM 0 HB3 ARG B 36 2.208 0.222 6.736 1.00 0.00 H new ATOM 0 HG2 ARG B 36 3.072 -0.387 9.012 1.00 0.00 H new ATOM 0 HG3 ARG B 36 4.645 -0.697 8.304 1.00 0.00 H new ATOM 0 HD2 ARG B 36 4.762 1.647 7.505 1.00 0.00 H new ATOM 0 HD3 ARG B 36 3.173 1.963 8.173 1.00 0.00 H new ATOM 0 HE ARG B 36 5.669 1.966 9.609 1.00 0.00 H new ATOM 0 HH11 ARG B 36 2.244 1.151 9.918 1.00 0.00 H new ATOM 0 HH12 ARG B 36 2.242 1.339 11.674 1.00 0.00 H new ATOM 0 HH21 ARG B 36 5.656 2.191 11.864 1.00 0.00 H new ATOM 0 HH22 ARG B 36 4.163 1.925 12.771 1.00 0.00 H new ATOM 1382 N LEU B 37 2.666 -2.178 4.341 1.00 0.00 N ATOM 1383 CA LEU B 37 2.104 -2.389 3.012 1.00 0.00 C ATOM 1384 C LEU B 37 1.296 -3.677 2.992 1.00 0.00 C ATOM 1385 O LEU B 37 0.233 -3.753 2.375 1.00 0.00 O ATOM 1386 CB LEU B 37 3.228 -2.445 1.974 1.00 0.00 C ATOM 1387 CG LEU B 37 2.792 -2.417 0.506 1.00 0.00 C ATOM 1388 CD1 LEU B 37 1.881 -1.228 0.230 1.00 0.00 C ATOM 1389 CD2 LEU B 37 4.019 -2.381 -0.394 1.00 0.00 C ATOM 0 H LEU B 37 3.683 -2.101 4.359 1.00 0.00 H new ATOM 0 HA LEU B 37 1.443 -1.558 2.764 1.00 0.00 H new ATOM 0 HB2 LEU B 37 3.899 -1.604 2.149 1.00 0.00 H new ATOM 0 HB3 LEU B 37 3.806 -3.354 2.143 1.00 0.00 H new ATOM 0 HG LEU B 37 2.224 -3.323 0.292 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.586 -1.232 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU B 37 0.992 -1.297 0.857 1.00 0.00 H new ATOM 0 HD13 LEU B 37 2.412 -0.303 0.454 1.00 0.00 H new ATOM 0 HD21 LEU B 37 3.704 -2.361 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU B 37 4.605 -1.489 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU B 37 4.627 -3.268 -0.215 1.00 0.00 H new ATOM 1401 N GLU B 38 1.807 -4.683 3.692 1.00 0.00 N ATOM 1402 CA GLU B 38 1.137 -5.970 3.780 1.00 0.00 C ATOM 1403 C GLU B 38 -0.104 -5.841 4.651 1.00 0.00 C ATOM 1404 O GLU B 38 -1.164 -6.374 4.326 1.00 0.00 O ATOM 1405 CB GLU B 38 2.081 -7.022 4.365 1.00 0.00 C ATOM 1406 CG GLU B 38 1.856 -8.415 3.805 1.00 0.00 C ATOM 1407 CD GLU B 38 2.532 -9.496 4.626 1.00 0.00 C ATOM 1408 OE1 GLU B 38 3.192 -9.155 5.629 1.00 0.00 O ATOM 1409 OE2 GLU B 38 2.400 -10.685 4.265 1.00 0.00 O ATOM 0 H GLU B 38 2.686 -4.629 4.207 1.00 0.00 H new ATOM 0 HA GLU B 38 0.843 -6.286 2.779 1.00 0.00 H new ATOM 0 HB2 GLU B 38 3.111 -6.723 4.171 1.00 0.00 H new ATOM 0 HB3 GLU B 38 1.956 -7.049 5.447 1.00 0.00 H new ATOM 0 HG2 GLU B 38 0.785 -8.615 3.761 1.00 0.00 H new ATOM 0 HG3 GLU B 38 2.230 -8.455 2.782 1.00 0.00 H new ATOM 1416 N SER B 39 0.040 -5.110 5.754 1.00 0.00 N ATOM 1417 CA SER B 39 -1.066 -4.882 6.675 1.00 0.00 C ATOM 1418 C SER B 39 -2.218 -4.206 5.948 1.00 0.00 C ATOM 1419 O SER B 39 -3.387 -4.487 6.216 1.00 0.00 O ATOM 1420 CB SER B 39 -0.610 -4.020 7.853 1.00 0.00 C ATOM 1421 OG SER B 39 -1.676 -3.788 8.759 1.00 0.00 O ATOM 0 H SER B 39 0.915 -4.665 6.030 1.00 0.00 H new ATOM 0 HA SER B 39 -1.405 -5.844 7.059 1.00 0.00 H new ATOM 0 HB2 SER B 39 0.212 -4.514 8.372 1.00 0.00 H new ATOM 0 HB3 SER B 39 -0.228 -3.068 7.485 1.00 0.00 H new ATOM 0 HG SER B 39 -1.358 -3.236 9.504 1.00 0.00 H new ATOM 1427 N LEU B 40 -1.877 -3.319 5.016 1.00 0.00 N ATOM 1428 CA LEU B 40 -2.879 -2.607 4.236 1.00 0.00 C ATOM 1429 C LEU B 40 -3.822 -3.590 3.563 1.00 0.00 C ATOM 1430 O LEU B 40 -5.037 -3.434 3.622 1.00 0.00 O ATOM 1431 CB LEU B 40 -2.216 -1.737 3.165 1.00 0.00 C ATOM 1432 CG LEU B 40 -1.339 -0.599 3.685 1.00 0.00 C ATOM 1433 CD1 LEU B 40 -0.724 0.161 2.522 1.00 0.00 C ATOM 1434 CD2 LEU B 40 -2.147 0.341 4.564 1.00 0.00 C ATOM 0 H LEU B 40 -0.913 -3.078 4.785 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.442 -1.969 4.918 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -1.607 -2.378 2.528 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -2.997 -1.311 2.535 1.00 0.00 H new ATOM 0 HG LEU B 40 -0.538 -1.027 4.288 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.101 0.970 2.904 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -0.113 -0.517 1.927 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.516 0.577 1.899 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.505 1.144 4.924 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.968 0.765 3.985 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.549 -0.211 5.414 1.00 0.00 H new ATOM 1446 N LEU B 41 -3.243 -4.600 2.920 1.00 0.00 N ATOM 1447 CA LEU B 41 -4.018 -5.617 2.223 1.00 0.00 C ATOM 1448 C LEU B 41 -4.669 -6.600 3.187 1.00 0.00 C ATOM 1449 O LEU B 41 -5.826 -6.969 3.009 1.00 0.00 O ATOM 1450 CB LEU B 41 -3.136 -6.356 1.220 1.00 0.00 C ATOM 1451 CG LEU B 41 -2.986 -5.647 -0.122 1.00 0.00 C ATOM 1452 CD1 LEU B 41 -1.882 -6.273 -0.954 1.00 0.00 C ATOM 1453 CD2 LEU B 41 -4.308 -5.669 -0.873 1.00 0.00 C ATOM 0 H LEU B 41 -2.233 -4.735 2.868 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.821 -5.110 1.688 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -2.147 -6.496 1.657 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -3.552 -7.349 1.049 1.00 0.00 H new ATOM 0 HG LEU B 41 -2.707 -4.610 0.067 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.799 -5.746 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -0.936 -6.202 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -2.116 -7.321 -1.140 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -4.191 -5.160 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -4.611 -6.702 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -5.070 -5.161 -0.283 1.00 0.00 H new ATOM 1465 N ARG B 42 -3.935 -7.018 4.211 1.00 0.00 N ATOM 1466 CA ARG B 42 -4.485 -7.949 5.187 1.00 0.00 C ATOM 1467 C ARG B 42 -5.802 -7.395 5.716 1.00 0.00 C ATOM 1468 O ARG B 42 -6.760 -8.135 5.941 1.00 0.00 O ATOM 1469 CB ARG B 42 -3.487 -8.183 6.327 1.00 0.00 C ATOM 1470 CG ARG B 42 -3.866 -9.324 7.264 1.00 0.00 C ATOM 1471 CD ARG B 42 -4.965 -8.927 8.237 1.00 0.00 C ATOM 1472 NE ARG B 42 -5.356 -10.033 9.108 1.00 0.00 N ATOM 1473 CZ ARG B 42 -4.531 -10.636 9.960 1.00 0.00 C ATOM 1474 NH1 ARG B 42 -3.269 -10.239 10.065 1.00 0.00 N ATOM 1475 NH2 ARG B 42 -4.968 -11.636 10.712 1.00 0.00 N ATOM 0 H ARG B 42 -2.972 -6.732 4.386 1.00 0.00 H new ATOM 0 HA ARG B 42 -4.671 -8.912 4.711 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -2.506 -8.389 5.899 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.395 -7.266 6.908 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -4.196 -10.181 6.676 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -2.985 -9.641 7.823 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -4.624 -8.090 8.846 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -5.835 -8.581 7.679 1.00 0.00 H new ATOM 0 HE ARG B 42 -6.320 -10.363 9.060 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -2.927 -9.468 9.491 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -2.641 -10.705 10.720 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -5.938 -11.944 10.638 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -4.335 -12.098 11.365 1.00 0.00 H new ATOM 1489 N ARG B 43 -5.843 -6.076 5.884 1.00 0.00 N ATOM 1490 CA ARG B 43 -7.039 -5.392 6.359 1.00 0.00 C ATOM 1491 C ARG B 43 -7.960 -5.055 5.185 1.00 0.00 C ATOM 1492 O ARG B 43 -9.182 -5.158 5.289 1.00 0.00 O ATOM 1493 CB ARG B 43 -6.652 -4.113 7.106 1.00 0.00 C ATOM 1494 CG ARG B 43 -5.677 -4.342 8.253 1.00 0.00 C ATOM 1495 CD ARG B 43 -6.244 -5.293 9.295 1.00 0.00 C ATOM 1496 NE ARG B 43 -5.320 -5.498 10.406 1.00 0.00 N ATOM 1497 CZ ARG B 43 -5.571 -6.300 11.437 1.00 0.00 C ATOM 1498 NH1 ARG B 43 -6.711 -6.976 11.493 1.00 0.00 N ATOM 1499 NH2 ARG B 43 -4.681 -6.427 12.413 1.00 0.00 N ATOM 0 H ARG B 43 -5.054 -5.457 5.696 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.571 -6.054 7.042 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.209 -3.411 6.400 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.555 -3.645 7.497 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -4.744 -4.747 7.861 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -5.438 -3.388 8.723 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -7.185 -4.896 9.675 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -6.468 -6.252 8.828 1.00 0.00 H new ATOM 0 HE ARG B 43 -4.431 -4.998 10.391 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -7.397 -6.881 10.744 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -6.901 -7.590 12.285 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -3.803 -5.909 12.373 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -4.875 -7.042 13.203 1.00 0.00 H new ATOM 1513 N TRP B 44 -7.353 -4.653 4.068 1.00 0.00 N ATOM 1514 CA TRP B 44 -8.095 -4.296 2.859 1.00 0.00 C ATOM 1515 C TRP B 44 -8.958 -5.462 2.382 1.00 0.00 C ATOM 1516 O TRP B 44 -10.178 -5.347 2.274 1.00 0.00 O ATOM 1517 CB TRP B 44 -7.117 -3.893 1.752 1.00 0.00 C ATOM 1518 CG TRP B 44 -7.781 -3.555 0.453 1.00 0.00 C ATOM 1519 CD1 TRP B 44 -7.420 -3.999 -0.787 1.00 0.00 C ATOM 1520 CD2 TRP B 44 -8.908 -2.696 0.260 1.00 0.00 C ATOM 1521 NE1 TRP B 44 -8.260 -3.477 -1.737 1.00 0.00 N ATOM 1522 CE2 TRP B 44 -9.180 -2.675 -1.121 1.00 0.00 C ATOM 1523 CE3 TRP B 44 -9.719 -1.943 1.115 1.00 0.00 C ATOM 1524 CZ2 TRP B 44 -10.221 -1.935 -1.662 1.00 0.00 C ATOM 1525 CZ3 TRP B 44 -10.753 -1.207 0.567 1.00 0.00 C ATOM 1526 CH2 TRP B 44 -10.994 -1.208 -0.807 1.00 0.00 C ATOM 0 H TRP B 44 -6.341 -4.566 3.976 1.00 0.00 H new ATOM 0 HA TRP B 44 -8.750 -3.457 3.094 1.00 0.00 H new ATOM 0 HB2 TRP B 44 -6.537 -3.033 2.088 1.00 0.00 H new ATOM 0 HB3 TRP B 44 -6.412 -4.708 1.588 1.00 0.00 H new ATOM 0 HD1 TRP B 44 -6.594 -4.664 -0.990 1.00 0.00 H new ATOM 0 HE1 TRP B 44 -8.207 -3.658 -2.739 1.00 0.00 H new ATOM 0 HE3 TRP B 44 -9.541 -1.937 2.180 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 -10.412 -1.935 -2.725 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 -11.387 -0.620 1.215 1.00 0.00 H new ATOM 0 HH2 TRP B 44 -11.810 -0.621 -1.201 1.00 0.00 H new ATOM 1537 N ASN B 45 -8.304 -6.585 2.100 1.00 0.00 N ATOM 1538 CA ASN B 45 -8.985 -7.787 1.633 1.00 0.00 C ATOM 1539 C ASN B 45 -9.958 -8.315 2.683 1.00 0.00 C ATOM 1540 O ASN B 45 -11.058 -8.756 2.352 1.00 0.00 O ATOM 1541 CB ASN B 45 -7.961 -8.867 1.277 1.00 0.00 C ATOM 1542 CG ASN B 45 -7.037 -8.441 0.153 1.00 0.00 C ATOM 1543 OD1 ASN B 45 -5.743 -8.371 0.444 1.00 0.00 O flip ATOM 1544 ND2 ASN B 45 -7.481 -8.176 -0.964 1.00 0.00 N flip ATOM 0 H ASN B 45 -7.293 -6.687 2.188 1.00 0.00 H new ATOM 0 HA ASN B 45 -9.557 -7.526 0.743 1.00 0.00 H new ATOM 0 HB2 ASN B 45 -7.368 -9.106 2.160 1.00 0.00 H new ATOM 0 HB3 ASN B 45 -8.484 -9.778 0.988 1.00 0.00 H new ATOM 0 HD21 ASN B 45 -8.483 -8.243 -1.144 1.00 0.00 H new ATOM 0 HD22 ASN B 45 -6.847 -7.889 -1.710 1.00 0.00 H new ATOM 1551 N SER B 46 -9.545 -8.269 3.947 1.00 0.00 N ATOM 1552 CA SER B 46 -10.386 -8.747 5.040 1.00 0.00 C ATOM 1553 C SER B 46 -11.748 -8.063 5.005 1.00 0.00 C ATOM 1554 O SER B 46 -12.786 -8.715 5.126 1.00 0.00 O ATOM 1555 CB SER B 46 -9.709 -8.491 6.387 1.00 0.00 C ATOM 1556 OG SER B 46 -10.513 -8.951 7.459 1.00 0.00 O ATOM 0 H SER B 46 -8.637 -7.907 4.239 1.00 0.00 H new ATOM 0 HA SER B 46 -10.529 -9.820 4.916 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.742 -8.993 6.412 1.00 0.00 H new ATOM 0 HB3 SER B 46 -9.517 -7.424 6.504 1.00 0.00 H new ATOM 0 HG SER B 46 -10.057 -8.777 8.308 1.00 0.00 H new ATOM 1562 N ARG B 47 -11.736 -6.746 4.827 1.00 0.00 N ATOM 1563 CA ARG B 47 -12.968 -5.971 4.762 1.00 0.00 C ATOM 1564 C ARG B 47 -13.817 -6.410 3.573 1.00 0.00 C ATOM 1565 O ARG B 47 -15.044 -6.450 3.658 1.00 0.00 O ATOM 1566 CB ARG B 47 -12.653 -4.477 4.674 1.00 0.00 C ATOM 1567 CG ARG B 47 -12.095 -3.902 5.966 1.00 0.00 C ATOM 1568 CD ARG B 47 -11.687 -2.446 5.804 1.00 0.00 C ATOM 1569 NE ARG B 47 -11.331 -1.828 7.081 1.00 0.00 N ATOM 1570 CZ ARG B 47 -10.351 -2.260 7.871 1.00 0.00 C ATOM 1571 NH1 ARG B 47 -9.620 -3.310 7.521 1.00 0.00 N ATOM 1572 NH2 ARG B 47 -10.100 -1.638 9.015 1.00 0.00 N ATOM 0 H ARG B 47 -10.885 -6.193 4.725 1.00 0.00 H new ATOM 0 HA ARG B 47 -13.538 -6.152 5.674 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.935 -4.311 3.871 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -13.561 -3.937 4.406 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -12.843 -3.985 6.754 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.233 -4.488 6.283 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.839 -2.381 5.122 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -12.506 -1.889 5.348 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.867 -1.015 7.385 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -9.807 -3.792 6.642 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -8.870 -3.636 8.131 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -10.658 -0.829 9.289 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -9.349 -1.968 9.621 1.00 0.00 H new ATOM 1586 N ARG B 48 -13.154 -6.749 2.469 1.00 0.00 N ATOM 1587 CA ARG B 48 -13.849 -7.197 1.268 1.00 0.00 C ATOM 1588 C ARG B 48 -14.743 -8.390 1.586 1.00 0.00 C ATOM 1589 O ARG B 48 -15.911 -8.428 1.198 1.00 0.00 O ATOM 1590 CB ARG B 48 -12.844 -7.583 0.180 1.00 0.00 C ATOM 1591 CG ARG B 48 -11.972 -6.432 -0.289 1.00 0.00 C ATOM 1592 CD ARG B 48 -10.948 -6.896 -1.313 1.00 0.00 C ATOM 1593 NE ARG B 48 -11.578 -7.541 -2.462 1.00 0.00 N ATOM 1594 CZ ARG B 48 -10.900 -8.070 -3.476 1.00 0.00 C ATOM 1595 NH1 ARG B 48 -9.574 -8.031 -3.484 1.00 0.00 N ATOM 1596 NH2 ARG B 48 -11.547 -8.641 -4.482 1.00 0.00 N ATOM 0 H ARG B 48 -12.138 -6.721 2.383 1.00 0.00 H new ATOM 0 HA ARG B 48 -14.466 -6.375 0.905 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -12.204 -8.381 0.557 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -13.386 -7.987 -0.675 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -12.598 -5.653 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -11.460 -5.989 0.565 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -10.362 -6.042 -1.653 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -10.254 -7.592 -0.842 1.00 0.00 H new ATOM 0 HE ARG B 48 -12.597 -7.588 -2.488 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -9.072 -7.594 -2.711 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -9.057 -8.438 -4.263 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -12.566 -8.675 -4.479 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -11.025 -9.046 -5.259 1.00 0.00 H new ATOM 1610 N ALA B 49 -14.183 -9.361 2.301 1.00 0.00 N ATOM 1611 CA ALA B 49 -14.922 -10.557 2.685 1.00 0.00 C ATOM 1612 C ALA B 49 -16.112 -10.198 3.567 1.00 0.00 C ATOM 1613 O ALA B 49 -17.168 -10.825 3.487 1.00 0.00 O ATOM 1614 CB ALA B 49 -14.004 -11.535 3.403 1.00 0.00 C ATOM 0 H ALA B 49 -13.217 -9.342 2.627 1.00 0.00 H new ATOM 0 HA ALA B 49 -15.301 -11.032 1.780 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -14.568 -12.424 3.685 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -13.186 -11.819 2.741 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -13.599 -11.064 4.299 1.00 0.00 H new ATOM 1620 N ASP B 50 -15.927 -9.186 4.410 1.00 0.00 N ATOM 1621 CA ASP B 50 -16.979 -8.733 5.315 1.00 0.00 C ATOM 1622 C ASP B 50 -18.025 -7.903 4.573 1.00 0.00 C ATOM 1623 O ASP B 50 -18.432 -6.839 5.042 1.00 0.00 O ATOM 1624 CB ASP B 50 -16.375 -7.912 6.457 1.00 0.00 C ATOM 1625 CG ASP B 50 -15.380 -8.704 7.281 1.00 0.00 C ATOM 1626 OD1 ASP B 50 -15.162 -9.894 6.969 1.00 0.00 O ATOM 1627 OD2 ASP B 50 -14.816 -8.135 8.240 1.00 0.00 O ATOM 0 H ASP B 50 -15.055 -8.662 4.485 1.00 0.00 H new ATOM 0 HA ASP B 50 -17.472 -9.614 5.727 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -15.881 -7.032 6.045 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -17.175 -7.554 7.105 1.00 0.00 H new ATOM 1632 N ALA B 51 -18.458 -8.395 3.415 1.00 0.00 N ATOM 1633 CA ALA B 51 -19.456 -7.699 2.611 1.00 0.00 C ATOM 1634 C ALA B 51 -19.940 -8.580 1.460 1.00 0.00 C ATOM 1635 O ALA B 51 -19.135 -9.182 0.749 1.00 0.00 O ATOM 1636 CB ALA B 51 -18.888 -6.394 2.073 1.00 0.00 C ATOM 0 H ALA B 51 -18.132 -9.274 3.013 1.00 0.00 H new ATOM 0 HA ALA B 51 -20.309 -7.473 3.251 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -19.645 -5.887 1.475 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -18.594 -5.754 2.905 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -18.017 -6.605 1.453 1.00 0.00 H new ATOM 1642 N PRO B 52 -21.268 -8.670 1.264 1.00 0.00 N ATOM 1643 CA PRO B 52 -21.859 -9.484 0.197 1.00 0.00 C ATOM 1644 C PRO B 52 -21.754 -8.821 -1.174 1.00 0.00 C ATOM 1645 O PRO B 52 -22.718 -8.809 -1.941 1.00 0.00 O ATOM 1646 CB PRO B 52 -23.320 -9.603 0.623 1.00 0.00 C ATOM 1647 CG PRO B 52 -23.590 -8.348 1.380 1.00 0.00 C ATOM 1648 CD PRO B 52 -22.301 -7.988 2.071 1.00 0.00 C ATOM 0 HA PRO B 52 -21.350 -10.441 0.083 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -23.979 -9.696 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -23.482 -10.484 1.244 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -23.908 -7.550 0.709 1.00 0.00 H new ATOM 0 HG3 PRO B 52 -24.392 -8.495 2.104 1.00 0.00 H new ATOM 0 HD2 PRO B 52 -22.145 -6.909 2.092 1.00 0.00 H new ATOM 0 HD3 PRO B 52 -22.292 -8.331 3.106 1.00 0.00 H new ATOM 1656 N SER B 53 -20.580 -8.272 -1.479 1.00 0.00 N ATOM 1657 CA SER B 53 -20.353 -7.608 -2.759 1.00 0.00 C ATOM 1658 C SER B 53 -21.352 -6.475 -2.970 1.00 0.00 C ATOM 1659 O SER B 53 -21.970 -6.367 -4.030 1.00 0.00 O ATOM 1660 CB SER B 53 -20.452 -8.616 -3.908 1.00 0.00 C ATOM 1661 OG SER B 53 -19.489 -9.646 -3.767 1.00 0.00 O ATOM 0 H SER B 53 -19.772 -8.274 -0.857 1.00 0.00 H new ATOM 0 HA SER B 53 -19.349 -7.183 -2.746 1.00 0.00 H new ATOM 0 HB2 SER B 53 -21.452 -9.049 -3.931 1.00 0.00 H new ATOM 0 HB3 SER B 53 -20.305 -8.104 -4.859 1.00 0.00 H new ATOM 0 HG SER B 53 -19.574 -10.277 -4.512 1.00 0.00 H new ATOM 1667 N THR B 54 -21.507 -5.634 -1.951 1.00 0.00 N ATOM 1668 CA THR B 54 -22.431 -4.508 -2.019 1.00 0.00 C ATOM 1669 C THR B 54 -22.113 -3.604 -3.205 1.00 0.00 C ATOM 1670 O THR B 54 -20.950 -3.304 -3.475 1.00 0.00 O ATOM 1671 CB THR B 54 -22.393 -3.671 -0.728 1.00 0.00 C ATOM 1672 OG1 THR B 54 -21.074 -3.154 -0.516 1.00 0.00 O ATOM 1673 CG2 THR B 54 -22.813 -4.507 0.472 1.00 0.00 C ATOM 0 H THR B 54 -21.003 -5.712 -1.067 1.00 0.00 H new ATOM 0 HA THR B 54 -23.429 -4.928 -2.143 1.00 0.00 H new ATOM 0 HB THR B 54 -23.094 -2.843 -0.839 1.00 0.00 H new ATOM 0 HG1 THR B 54 -21.060 -2.621 0.307 1.00 0.00 H new ATOM 0 HG21 THR B 54 -22.778 -3.894 1.373 1.00 0.00 H new ATOM 0 HG22 THR B 54 -23.828 -4.874 0.322 1.00 0.00 H new ATOM 0 HG23 THR B 54 -22.134 -5.352 0.582 1.00 0.00 H new ATOM 1681 N SER B 55 -23.156 -3.174 -3.910 1.00 0.00 N ATOM 1682 CA SER B 55 -22.993 -2.304 -5.070 1.00 0.00 C ATOM 1683 C SER B 55 -24.344 -1.801 -5.566 1.00 0.00 C ATOM 1684 O SER B 55 -25.309 -2.561 -5.647 1.00 0.00 O ATOM 1685 CB SER B 55 -22.270 -3.048 -6.195 1.00 0.00 C ATOM 1686 OG SER B 55 -22.104 -2.217 -7.331 1.00 0.00 O ATOM 0 H SER B 55 -24.124 -3.415 -3.697 1.00 0.00 H new ATOM 0 HA SER B 55 -22.394 -1.446 -4.767 1.00 0.00 H new ATOM 0 HB2 SER B 55 -21.296 -3.388 -5.843 1.00 0.00 H new ATOM 0 HB3 SER B 55 -22.837 -3.937 -6.471 1.00 0.00 H new ATOM 0 HG SER B 55 -21.348 -1.610 -7.185 1.00 0.00 H new ATOM 1692 N ALA B 56 -24.402 -0.513 -5.897 1.00 0.00 N ATOM 1693 CA ALA B 56 -25.632 0.101 -6.388 1.00 0.00 C ATOM 1694 C ALA B 56 -26.756 -0.018 -5.364 1.00 0.00 C ATOM 1695 O ALA B 56 -27.884 -0.376 -5.704 1.00 0.00 O ATOM 1696 CB ALA B 56 -26.048 -0.529 -7.710 1.00 0.00 C ATOM 0 H ALA B 56 -23.610 0.126 -5.834 1.00 0.00 H new ATOM 0 HA ALA B 56 -25.437 1.161 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -26.967 -0.061 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -25.259 -0.382 -8.447 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -26.217 -1.596 -7.567 1.00 0.00 H new ATOM 1702 N ILE B 57 -26.442 0.285 -4.108 1.00 0.00 N ATOM 1703 CA ILE B 57 -27.427 0.213 -3.035 1.00 0.00 C ATOM 1704 C ILE B 57 -28.600 1.151 -3.306 1.00 0.00 C ATOM 1705 O ILE B 57 -28.414 2.276 -3.769 1.00 0.00 O ATOM 1706 CB ILE B 57 -26.812 0.574 -1.669 1.00 0.00 C ATOM 1707 CG1 ILE B 57 -27.882 0.482 -0.574 1.00 0.00 C ATOM 1708 CG2 ILE B 57 -26.192 1.965 -1.715 1.00 0.00 C ATOM 1709 CD1 ILE B 57 -27.451 1.044 0.762 1.00 0.00 C ATOM 0 H ILE B 57 -25.513 0.583 -3.809 1.00 0.00 H new ATOM 0 HA ILE B 57 -27.778 -0.818 -3.004 1.00 0.00 H new ATOM 0 HB ILE B 57 -26.019 -0.137 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -28.774 1.012 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -28.163 -0.563 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -25.762 2.204 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -25.409 1.990 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -26.960 2.698 -1.962 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -28.265 0.940 1.480 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -26.578 0.499 1.121 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -27.199 2.098 0.649 1.00 0.00 H new ATOM 1721 N SER B 58 -29.807 0.681 -3.004 1.00 0.00 N ATOM 1722 CA SER B 58 -31.013 1.476 -3.207 1.00 0.00 C ATOM 1723 C SER B 58 -32.236 0.752 -2.651 1.00 0.00 C ATOM 1724 O SER B 58 -33.294 0.721 -3.282 1.00 0.00 O ATOM 1725 CB SER B 58 -31.211 1.777 -4.695 1.00 0.00 C ATOM 1726 OG SER B 58 -32.354 2.588 -4.904 1.00 0.00 O ATOM 0 H SER B 58 -29.975 -0.248 -2.617 1.00 0.00 H new ATOM 0 HA SER B 58 -30.894 2.418 -2.671 1.00 0.00 H new ATOM 0 HB2 SER B 58 -30.328 2.280 -5.088 1.00 0.00 H new ATOM 0 HB3 SER B 58 -31.318 0.843 -5.247 1.00 0.00 H new ATOM 0 HG SER B 58 -33.108 2.230 -4.391 1.00 0.00 H new ATOM 1732 N GLU B 59 -32.084 0.170 -1.465 1.00 0.00 N ATOM 1733 CA GLU B 59 -33.174 -0.553 -0.821 1.00 0.00 C ATOM 1734 C GLU B 59 -34.335 0.384 -0.504 1.00 0.00 C ATOM 1735 O GLU B 59 -34.134 1.485 0.009 1.00 0.00 O ATOM 1736 CB GLU B 59 -32.681 -1.228 0.460 1.00 0.00 C ATOM 1737 CG GLU B 59 -33.755 -2.028 1.181 1.00 0.00 C ATOM 1738 CD GLU B 59 -33.242 -2.687 2.445 1.00 0.00 C ATOM 1739 OE1 GLU B 59 -32.303 -3.505 2.349 1.00 0.00 O ATOM 1740 OE2 GLU B 59 -33.779 -2.387 3.532 1.00 0.00 O ATOM 0 H GLU B 59 -31.215 0.185 -0.931 1.00 0.00 H new ATOM 0 HA GLU B 59 -33.527 -1.319 -1.512 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -31.850 -1.890 0.215 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -32.293 -0.466 1.136 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -34.587 -1.369 1.431 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -34.145 -2.793 0.510 1.00 0.00 H new ATOM 1747 N ASP B 60 -35.549 -0.061 -0.813 1.00 0.00 N ATOM 1748 CA ASP B 60 -36.746 0.736 -0.563 1.00 0.00 C ATOM 1749 C ASP B 60 -38.007 -0.068 -0.867 1.00 0.00 C ATOM 1750 O ASP B 60 -38.771 -0.349 0.080 1.00 0.00 O ATOM 1751 CB ASP B 60 -36.725 2.010 -1.410 1.00 0.00 C ATOM 1752 CG ASP B 60 -37.947 2.877 -1.182 1.00 0.00 C ATOM 1753 OD1 ASP B 60 -38.161 3.310 -0.030 1.00 0.00 O ATOM 1754 OD2 ASP B 60 -38.689 3.125 -2.155 1.00 0.00 O ATOM 1755 OXT ASP B 60 -38.219 -0.407 -2.050 1.00 0.00 O ATOM 0 H ASP B 60 -35.730 -0.971 -1.238 1.00 0.00 H new ATOM 0 HA ASP B 60 -36.755 1.010 0.492 1.00 0.00 H new ATOM 0 HB2 ASP B 60 -35.828 2.583 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP B 60 -36.666 1.741 -2.465 1.00 0.00 H new TER 1760 ASP B 60